USER MOD reduce.3.24.130724 H: found=0, std=0, add=863, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 859 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 105 HIS : no HE2:sc= 0.551 K(o=4,f=-5.4!) USER MOD Set 1.2: A 107 HIS : no HE2:sc= 1.91 K(o=4,f=-8.7!) USER MOD Set 1.3: A 111 SER OG : rot 78:sc= 1.55 USER MOD Set 2.1: A 27 THR OG1 : rot -164:sc= 1.36 USER MOD Set 2.2: A 31 THR OG1 : rot 170:sc= 1.94 USER MOD Set 3.1: A 19 LYS NZ :NH3+ -167:sc= 2.27 (180deg=0.656) USER MOD Set 3.2: A 37 GLN : amide:sc= 0.922 K(o=3.2,f=-8.2!) USER MOD Set 4.1: A 10 THR OG1 : rot -128:sc= 1.33 USER MOD Set 4.2: A 46 LYS NZ :NH3+ 174:sc= 2.16 (180deg=2.15) USER MOD Set 4.3: A 68 ASN : amide:sc= 2.93 K(o=6.4,f=2.5) USER MOD Set 5.1: A 2 SER OG : rot 177:sc= 2.09 USER MOD Set 5.2: A 7 LYS NZ :NH3+ 164:sc= 3.46 (180deg=2.38) USER MOD Single : A 1 ILE N :NH3+ -166:sc= 1.97 (180deg=1.03) USER MOD Single : A 5 GLN : amide:sc= 0.548! C(o=0.55!,f=-7.7!) USER MOD Single : A 9 THR OG1 : rot 59:sc= 0.421 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -35:sc= 0.0827 USER MOD Single : A 16 LYS NZ :NH3+ -168:sc= 1.16 (180deg=0.583) USER MOD Single : A 23 THR OG1 : rot 32:sc= 0.118 USER MOD Single : A 29 HIS : no HE2:sc= 0.89 K(o=0.89,f=-3.4!) USER MOD Single : A 38 TYR OH : rot 13:sc= 1.18 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.00432 USER MOD Single : A 41 THR OG1 : rot 63:sc= 1.3 USER MOD Single : A 50 SER OG : rot -177:sc= 0.779 USER MOD Single : A 51 SER OG : rot -175:sc= 1.03 USER MOD Single : A 54 SER OG : rot -7:sc= 1.03 USER MOD Single : A 56 ASN : amide:sc= -2.84! C(o=-2.8!,f=-5.6!) USER MOD Single : A 59 THR OG1 : rot -9:sc= 1.11 USER MOD Single : A 66 THR OG1 : rot -140:sc= 1.01 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.841 K(o=0.84,f=-2.9!) USER MOD Single : A 79 LYS NZ :NH3+ 159:sc= 0.256 (180deg=-1.03!) USER MOD Single : A 91 SER OG : rot 29:sc= 1 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= 1.9 K(o=1.9,f=-4.2!) USER MOD Single : A 101 GLN : amide:sc= -0.287 X(o=-0.29,f=0) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.3!) USER MOD Single : A 108 LYS NZ :NH3+ 175:sc= 2.28 (180deg=2.15) USER MOD Single : A 109 SER OG : rot -50:sc= 0.993 USER MOD Single : A 112 SER OG : rot 94:sc= 1.05 USER MOD Single : A 115 LYS NZ :NH3+ -163:sc= 1.22 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 0.899 10.140 13.319 1.00 0.00 N ATOM 2 CA ILE A 1 -0.571 9.992 13.241 1.00 0.00 C ATOM 3 C ILE A 1 -0.885 8.548 12.866 1.00 0.00 C ATOM 4 O ILE A 1 -0.158 7.949 12.080 1.00 0.00 O ATOM 5 CB ILE A 1 -1.223 11.022 12.288 1.00 0.00 C ATOM 6 CG1 ILE A 1 -1.013 12.468 12.804 1.00 0.00 C ATOM 7 CG2 ILE A 1 -2.741 10.774 12.177 1.00 0.00 C ATOM 8 CD1 ILE A 1 0.252 13.152 12.267 1.00 0.00 C ATOM 0 H1 ILE A 1 1.133 11.033 13.797 1.00 0.00 H new ATOM 0 H2 ILE A 1 1.300 9.345 13.856 1.00 0.00 H new ATOM 0 H3 ILE A 1 1.299 10.146 12.359 1.00 0.00 H new ATOM 0 HA ILE A 1 -1.011 10.210 14.214 1.00 0.00 H new ATOM 0 HB ILE A 1 -0.748 10.904 11.314 1.00 0.00 H new ATOM 0 HG12 ILE A 1 -1.881 13.069 12.531 1.00 0.00 H new ATOM 0 HG13 ILE A 1 -0.968 12.450 13.893 1.00 0.00 H new ATOM 0 HG21 ILE A 1 -3.181 11.508 11.503 1.00 0.00 H new ATOM 0 HG22 ILE A 1 -2.918 9.771 11.788 1.00 0.00 H new ATOM 0 HG23 ILE A 1 -3.198 10.867 13.162 1.00 0.00 H new ATOM 0 HD11 ILE A 1 0.323 14.159 12.677 1.00 0.00 H new ATOM 0 HD12 ILE A 1 1.130 12.577 12.563 1.00 0.00 H new ATOM 0 HD13 ILE A 1 0.203 13.206 11.179 1.00 0.00 H new ATOM 22 N SER A 2 -1.913 7.964 13.490 1.00 0.00 N ATOM 23 CA SER A 2 -2.123 6.519 13.511 1.00 0.00 C ATOM 24 C SER A 2 -3.608 6.160 13.505 1.00 0.00 C ATOM 25 O SER A 2 -4.430 6.848 14.105 1.00 0.00 O ATOM 26 CB SER A 2 -1.458 5.997 14.784 1.00 0.00 C ATOM 27 OG SER A 2 -1.436 4.592 14.872 1.00 0.00 O ATOM 0 H SER A 2 -2.626 8.488 13.997 1.00 0.00 H new ATOM 0 HA SER A 2 -1.692 6.066 12.618 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.435 6.372 14.830 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.984 6.399 15.650 1.00 0.00 H new ATOM 0 HG SER A 2 -0.957 4.323 15.683 1.00 0.00 H new ATOM 33 N GLU A 3 -3.924 5.055 12.834 1.00 0.00 N ATOM 34 CA GLU A 3 -5.232 4.421 12.689 1.00 0.00 C ATOM 35 C GLU A 3 -5.140 2.915 13.020 1.00 0.00 C ATOM 36 O GLU A 3 -4.055 2.401 13.308 1.00 0.00 O ATOM 37 CB GLU A 3 -5.763 4.689 11.265 1.00 0.00 C ATOM 38 CG GLU A 3 -4.972 4.014 10.127 1.00 0.00 C ATOM 39 CD GLU A 3 -3.542 4.555 9.998 1.00 0.00 C ATOM 40 OE1 GLU A 3 -3.365 5.615 9.353 1.00 0.00 O ATOM 41 OE2 GLU A 3 -2.632 3.957 10.626 1.00 0.00 O ATOM 0 H GLU A 3 -3.205 4.533 12.332 1.00 0.00 H new ATOM 0 HA GLU A 3 -5.942 4.848 13.397 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.799 4.354 11.213 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.767 5.765 11.093 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.935 2.939 10.304 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -5.499 4.164 9.185 1.00 0.00 H new ATOM 48 N PHE A 4 -6.265 2.192 12.974 1.00 0.00 N ATOM 49 CA PHE A 4 -6.349 0.781 13.378 1.00 0.00 C ATOM 50 C PHE A 4 -6.320 -0.149 12.155 1.00 0.00 C ATOM 51 O PHE A 4 -5.484 -1.047 12.037 1.00 0.00 O ATOM 52 CB PHE A 4 -7.635 0.568 14.200 1.00 0.00 C ATOM 53 CG PHE A 4 -7.869 1.585 15.304 1.00 0.00 C ATOM 54 CD1 PHE A 4 -7.225 1.446 16.548 1.00 0.00 C ATOM 55 CD2 PHE A 4 -8.731 2.679 15.083 1.00 0.00 C ATOM 56 CE1 PHE A 4 -7.445 2.392 17.566 1.00 0.00 C ATOM 57 CE2 PHE A 4 -8.949 3.626 16.100 1.00 0.00 C ATOM 58 CZ PHE A 4 -8.306 3.481 17.342 1.00 0.00 C ATOM 0 H PHE A 4 -7.154 2.574 12.651 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.483 0.534 13.992 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.488 0.587 13.522 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -7.603 -0.427 14.644 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.561 0.612 16.721 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -9.226 2.790 14.129 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.952 2.282 18.521 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -9.609 4.463 15.927 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.473 4.206 18.124 1.00 0.00 H new ATOM 68 N GLN A 5 -7.242 0.108 11.224 1.00 0.00 N ATOM 69 CA GLN A 5 -7.523 -0.646 10.005 1.00 0.00 C ATOM 70 C GLN A 5 -6.302 -0.823 9.091 1.00 0.00 C ATOM 71 O GLN A 5 -6.153 -1.881 8.487 1.00 0.00 O ATOM 72 CB GLN A 5 -8.708 -0.003 9.250 1.00 0.00 C ATOM 73 CG GLN A 5 -8.680 1.533 9.089 1.00 0.00 C ATOM 74 CD GLN A 5 -9.287 2.271 10.288 1.00 0.00 C ATOM 75 OE1 GLN A 5 -8.640 2.490 11.305 1.00 0.00 O ATOM 76 NE2 GLN A 5 -10.548 2.649 10.228 1.00 0.00 N ATOM 0 H GLN A 5 -7.860 0.915 11.313 1.00 0.00 H new ATOM 0 HA GLN A 5 -7.796 -1.655 10.313 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -8.759 -0.448 8.256 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -9.628 -0.274 9.768 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.649 1.860 8.952 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.225 1.808 8.186 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.094 2.471 9.385 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.978 3.120 11.024 1.00 0.00 H new ATOM 85 N LEU A 6 -5.408 0.173 9.019 1.00 0.00 N ATOM 86 CA LEU A 6 -4.173 0.079 8.239 1.00 0.00 C ATOM 87 C LEU A 6 -3.228 -0.972 8.839 1.00 0.00 C ATOM 88 O LEU A 6 -2.691 -1.797 8.102 1.00 0.00 O ATOM 89 CB LEU A 6 -3.537 1.477 8.132 1.00 0.00 C ATOM 90 CG LEU A 6 -2.585 1.665 6.934 1.00 0.00 C ATOM 91 CD1 LEU A 6 -2.384 3.163 6.690 1.00 0.00 C ATOM 92 CD2 LEU A 6 -1.204 1.036 7.137 1.00 0.00 C ATOM 0 H LEU A 6 -5.524 1.065 9.501 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.392 -0.262 7.227 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -4.333 2.219 8.065 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.987 1.682 9.051 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.054 1.162 6.088 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.712 3.307 5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.345 3.628 6.473 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.952 3.622 7.579 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.591 1.210 6.252 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.723 1.486 8.005 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.313 -0.037 7.298 1.00 0.00 H new ATOM 104 N LYS A 7 -3.073 -0.996 10.173 1.00 0.00 N ATOM 105 CA LYS A 7 -2.267 -1.997 10.891 1.00 0.00 C ATOM 106 C LYS A 7 -2.860 -3.398 10.699 1.00 0.00 C ATOM 107 O LYS A 7 -2.121 -4.327 10.368 1.00 0.00 O ATOM 108 CB LYS A 7 -2.142 -1.655 12.390 1.00 0.00 C ATOM 109 CG LYS A 7 -1.936 -0.170 12.734 1.00 0.00 C ATOM 110 CD LYS A 7 -0.761 0.506 12.008 1.00 0.00 C ATOM 111 CE LYS A 7 -0.361 1.808 12.709 1.00 0.00 C ATOM 112 NZ LYS A 7 -1.426 2.835 12.708 1.00 0.00 N ATOM 0 H LYS A 7 -3.510 -0.312 10.791 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.262 -1.983 10.468 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -3.043 -2.002 12.897 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -1.306 -2.221 12.802 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -2.851 0.373 12.497 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.780 -0.079 13.809 1.00 0.00 H new ATOM 0 HD2 LYS A 7 0.092 -0.172 11.978 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.039 0.715 10.975 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.084 1.585 13.739 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.525 2.215 12.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.204 3.567 13.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.488 3.270 11.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.336 2.391 12.945 1.00 0.00 H new ATOM 126 N GLY A 8 -4.192 -3.488 10.850 1.00 0.00 N ATOM 127 CA GLY A 8 -5.124 -4.510 10.358 1.00 0.00 C ATOM 128 C GLY A 8 -4.620 -5.954 10.354 1.00 0.00 C ATOM 129 O GLY A 8 -3.855 -6.328 9.462 1.00 0.00 O ATOM 0 H GLY A 8 -4.692 -2.770 11.375 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.028 -4.467 10.965 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.411 -4.247 9.340 1.00 0.00 H new ATOM 133 N THR A 9 -5.078 -6.768 11.317 1.00 0.00 N ATOM 134 CA THR A 9 -4.807 -8.211 11.474 1.00 0.00 C ATOM 135 C THR A 9 -5.339 -9.048 10.299 1.00 0.00 C ATOM 136 O THR A 9 -6.329 -9.769 10.421 1.00 0.00 O ATOM 137 CB THR A 9 -5.388 -8.739 12.800 1.00 0.00 C ATOM 138 OG1 THR A 9 -6.777 -8.507 12.822 1.00 0.00 O ATOM 139 CG2 THR A 9 -4.762 -8.087 14.034 1.00 0.00 C ATOM 0 H THR A 9 -5.687 -6.417 12.056 1.00 0.00 H new ATOM 0 HA THR A 9 -3.722 -8.319 11.486 1.00 0.00 H new ATOM 0 HB THR A 9 -5.160 -9.804 12.844 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.196 -8.961 12.061 1.00 0.00 H new ATOM 0 HG21 THR A 9 -5.215 -8.503 14.934 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.690 -8.282 14.044 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.935 -7.011 14.004 1.00 0.00 H new ATOM 147 N THR A 10 -4.668 -8.938 9.154 1.00 0.00 N ATOM 148 CA THR A 10 -4.962 -9.587 7.872 1.00 0.00 C ATOM 149 C THR A 10 -4.472 -11.033 7.771 1.00 0.00 C ATOM 150 O THR A 10 -4.976 -11.775 6.931 1.00 0.00 O ATOM 151 CB THR A 10 -4.325 -8.755 6.740 1.00 0.00 C ATOM 152 OG1 THR A 10 -3.069 -8.226 7.146 1.00 0.00 O ATOM 153 CG2 THR A 10 -5.244 -7.588 6.371 1.00 0.00 C ATOM 0 H THR A 10 -3.839 -8.347 9.091 1.00 0.00 H new ATOM 0 HA THR A 10 -6.048 -9.630 7.786 1.00 0.00 H new ATOM 0 HB THR A 10 -4.181 -9.411 5.882 1.00 0.00 H new ATOM 0 HG1 THR A 10 -3.051 -7.261 6.978 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.788 -7.005 5.571 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.206 -7.975 6.035 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.393 -6.952 7.244 1.00 0.00 H new ATOM 161 N TYR A 11 -3.520 -11.450 8.613 1.00 0.00 N ATOM 162 CA TYR A 11 -2.992 -12.815 8.687 1.00 0.00 C ATOM 163 C TYR A 11 -2.290 -13.045 10.047 1.00 0.00 C ATOM 164 O TYR A 11 -2.157 -12.113 10.842 1.00 0.00 O ATOM 165 CB TYR A 11 -2.057 -13.045 7.482 1.00 0.00 C ATOM 166 CG TYR A 11 -1.791 -14.496 7.143 1.00 0.00 C ATOM 167 CD1 TYR A 11 -2.647 -15.191 6.264 1.00 0.00 C ATOM 168 CD2 TYR A 11 -0.668 -15.143 7.683 1.00 0.00 C ATOM 169 CE1 TYR A 11 -2.351 -16.518 5.896 1.00 0.00 C ATOM 170 CE2 TYR A 11 -0.380 -16.473 7.339 1.00 0.00 C ATOM 171 CZ TYR A 11 -1.201 -17.153 6.415 1.00 0.00 C ATOM 172 OH TYR A 11 -0.857 -18.402 6.007 1.00 0.00 O ATOM 0 H TYR A 11 -3.080 -10.822 9.286 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.799 -13.546 8.633 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.489 -12.557 6.608 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.104 -12.554 7.682 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.529 -14.706 5.873 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.022 -14.614 8.368 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -3.002 -17.049 5.218 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.468 -16.975 7.781 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.038 -18.682 6.466 1.00 0.00 H new ATOM 182 N GLY A 12 -1.830 -14.274 10.317 1.00 0.00 N ATOM 183 CA GLY A 12 -1.093 -14.657 11.530 1.00 0.00 C ATOM 184 C GLY A 12 0.326 -14.069 11.602 1.00 0.00 C ATOM 185 O GLY A 12 1.080 -14.124 10.627 1.00 0.00 O ATOM 0 H GLY A 12 -1.965 -15.056 9.676 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -1.656 -14.332 12.405 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.029 -15.744 11.578 1.00 0.00 H new ATOM 189 N VAL A 13 0.690 -13.509 12.765 1.00 0.00 N ATOM 190 CA VAL A 13 1.921 -12.734 12.994 1.00 0.00 C ATOM 191 C VAL A 13 3.208 -13.584 12.999 1.00 0.00 C ATOM 192 O VAL A 13 3.550 -14.259 13.974 1.00 0.00 O ATOM 193 CB VAL A 13 1.767 -11.801 14.214 1.00 0.00 C ATOM 194 CG1 VAL A 13 1.565 -12.500 15.565 1.00 0.00 C ATOM 195 CG2 VAL A 13 2.952 -10.833 14.301 1.00 0.00 C ATOM 0 H VAL A 13 0.115 -13.586 13.604 1.00 0.00 H new ATOM 0 HA VAL A 13 2.059 -12.090 12.125 1.00 0.00 H new ATOM 0 HB VAL A 13 0.837 -11.264 14.030 1.00 0.00 H new ATOM 0 HG11 VAL A 13 1.468 -11.751 16.351 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.660 -13.107 15.529 1.00 0.00 H new ATOM 0 HG13 VAL A 13 2.423 -13.139 15.776 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.828 -10.182 15.167 1.00 0.00 H new ATOM 0 HG22 VAL A 13 3.878 -11.399 14.403 1.00 0.00 H new ATOM 0 HG23 VAL A 13 2.995 -10.228 13.395 1.00 0.00 H new ATOM 205 N CYS A 14 3.934 -13.520 11.880 1.00 0.00 N ATOM 206 CA CYS A 14 5.204 -14.192 11.600 1.00 0.00 C ATOM 207 C CYS A 14 6.003 -13.343 10.592 1.00 0.00 C ATOM 208 O CYS A 14 5.411 -12.558 9.851 1.00 0.00 O ATOM 209 CB CYS A 14 4.901 -15.624 11.108 1.00 0.00 C ATOM 210 SG CYS A 14 5.878 -16.271 9.718 1.00 0.00 S ATOM 0 H CYS A 14 3.626 -12.955 11.088 1.00 0.00 H new ATOM 0 HA CYS A 14 5.826 -14.286 12.490 1.00 0.00 H new ATOM 0 HB2 CYS A 14 5.030 -16.302 11.952 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.849 -15.665 10.825 1.00 0.00 H new ATOM 215 N SER A 15 7.337 -13.480 10.550 1.00 0.00 N ATOM 216 CA SER A 15 8.157 -12.700 9.608 1.00 0.00 C ATOM 217 C SER A 15 9.420 -13.402 9.100 1.00 0.00 C ATOM 218 O SER A 15 9.807 -13.160 7.960 1.00 0.00 O ATOM 219 CB SER A 15 8.536 -11.369 10.260 1.00 0.00 C ATOM 220 OG SER A 15 8.634 -10.379 9.264 1.00 0.00 O ATOM 0 H SER A 15 7.866 -14.114 11.148 1.00 0.00 H new ATOM 0 HA SER A 15 7.536 -12.558 8.723 1.00 0.00 H new ATOM 0 HB2 SER A 15 7.787 -11.086 10.999 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.484 -11.466 10.788 1.00 0.00 H new ATOM 0 HG SER A 15 8.992 -10.776 8.443 1.00 0.00 H new ATOM 226 N LYS A 16 10.033 -14.260 9.927 1.00 0.00 N ATOM 227 CA LYS A 16 11.203 -15.124 9.711 1.00 0.00 C ATOM 228 C LYS A 16 12.437 -14.452 9.101 1.00 0.00 C ATOM 229 O LYS A 16 13.445 -14.314 9.786 1.00 0.00 O ATOM 230 CB LYS A 16 10.792 -16.413 8.969 1.00 0.00 C ATOM 231 CG LYS A 16 11.892 -17.483 9.087 1.00 0.00 C ATOM 232 CD LYS A 16 11.592 -18.783 8.323 1.00 0.00 C ATOM 233 CE LYS A 16 11.821 -18.638 6.809 1.00 0.00 C ATOM 234 NZ LYS A 16 11.764 -19.949 6.121 1.00 0.00 N ATOM 0 H LYS A 16 9.679 -14.379 10.876 1.00 0.00 H new ATOM 0 HA LYS A 16 11.553 -15.384 10.710 1.00 0.00 H new ATOM 0 HB2 LYS A 16 9.860 -16.796 9.384 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.606 -16.190 7.918 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.829 -17.066 8.718 1.00 0.00 H new ATOM 0 HG3 LYS A 16 12.041 -17.720 10.140 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.225 -19.582 8.709 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.559 -19.078 8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 16 11.067 -17.973 6.388 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.791 -18.174 6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 12.119 -19.847 5.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 12.352 -20.636 6.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.780 -20.286 6.096 1.00 0.00 H new ATOM 248 N ALA A 17 12.395 -14.128 7.808 1.00 0.00 N ATOM 249 CA ALA A 17 13.577 -13.974 6.968 1.00 0.00 C ATOM 250 C ALA A 17 13.568 -12.647 6.198 1.00 0.00 C ATOM 251 O ALA A 17 13.489 -12.616 4.972 1.00 0.00 O ATOM 252 CB ALA A 17 13.688 -15.215 6.075 1.00 0.00 C ATOM 0 H ALA A 17 11.521 -13.963 7.309 1.00 0.00 H new ATOM 0 HA ALA A 17 14.476 -13.913 7.582 1.00 0.00 H new ATOM 0 HB1 ALA A 17 14.566 -15.125 5.435 1.00 0.00 H new ATOM 0 HB2 ALA A 17 13.782 -16.104 6.698 1.00 0.00 H new ATOM 0 HB3 ALA A 17 12.795 -15.299 5.456 1.00 0.00 H new ATOM 258 N PHE A 18 13.710 -11.544 6.939 1.00 0.00 N ATOM 259 CA PHE A 18 14.007 -10.213 6.411 1.00 0.00 C ATOM 260 C PHE A 18 15.390 -9.752 6.878 1.00 0.00 C ATOM 261 O PHE A 18 15.864 -10.145 7.944 1.00 0.00 O ATOM 262 CB PHE A 18 12.964 -9.198 6.903 1.00 0.00 C ATOM 263 CG PHE A 18 11.666 -9.134 6.125 1.00 0.00 C ATOM 264 CD1 PHE A 18 11.573 -8.330 4.972 1.00 0.00 C ATOM 265 CD2 PHE A 18 10.526 -9.800 6.605 1.00 0.00 C ATOM 266 CE1 PHE A 18 10.334 -8.159 4.329 1.00 0.00 C ATOM 267 CE2 PHE A 18 9.283 -9.624 5.969 1.00 0.00 C ATOM 268 CZ PHE A 18 9.185 -8.794 4.837 1.00 0.00 C ATOM 0 H PHE A 18 13.618 -11.555 7.955 1.00 0.00 H new ATOM 0 HA PHE A 18 13.983 -10.270 5.323 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.728 -9.427 7.942 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.419 -8.208 6.890 1.00 0.00 H new ATOM 0 HD1 PHE A 18 12.455 -7.844 4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 18 10.604 -10.449 7.465 1.00 0.00 H new ATOM 0 HE1 PHE A 18 10.264 -7.541 3.446 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.405 -10.125 6.349 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.229 -8.644 4.358 1.00 0.00 H new ATOM 278 N LYS A 19 15.987 -8.835 6.113 1.00 0.00 N ATOM 279 CA LYS A 19 17.152 -8.035 6.497 1.00 0.00 C ATOM 280 C LYS A 19 16.994 -6.612 5.935 1.00 0.00 C ATOM 281 O LYS A 19 16.486 -6.443 4.827 1.00 0.00 O ATOM 282 CB LYS A 19 18.416 -8.775 5.998 1.00 0.00 C ATOM 283 CG LYS A 19 19.603 -7.839 5.768 1.00 0.00 C ATOM 284 CD LYS A 19 20.893 -8.542 5.331 1.00 0.00 C ATOM 285 CE LYS A 19 21.994 -7.518 5.006 1.00 0.00 C ATOM 286 NZ LYS A 19 21.563 -6.536 3.978 1.00 0.00 N ATOM 0 H LYS A 19 15.659 -8.621 5.171 1.00 0.00 H new ATOM 0 HA LYS A 19 17.244 -7.922 7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.696 -9.536 6.726 1.00 0.00 H new ATOM 0 HB3 LYS A 19 18.184 -9.294 5.068 1.00 0.00 H new ATOM 0 HG2 LYS A 19 19.329 -7.106 5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.798 -7.288 6.688 1.00 0.00 H new ATOM 0 HD2 LYS A 19 21.234 -9.210 6.122 1.00 0.00 H new ATOM 0 HD3 LYS A 19 20.696 -9.160 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 19 22.275 -6.988 5.916 1.00 0.00 H new ATOM 0 HE3 LYS A 19 22.883 -8.042 4.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 22.391 -6.010 3.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 21.114 -7.038 3.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.882 -5.871 4.397 1.00 0.00 H new ATOM 300 N PHE A 20 17.471 -5.594 6.664 1.00 0.00 N ATOM 301 CA PHE A 20 17.599 -4.228 6.141 1.00 0.00 C ATOM 302 C PHE A 20 18.568 -4.175 4.946 1.00 0.00 C ATOM 303 O PHE A 20 19.653 -4.765 4.968 1.00 0.00 O ATOM 304 CB PHE A 20 18.096 -3.262 7.234 1.00 0.00 C ATOM 305 CG PHE A 20 17.120 -2.900 8.346 1.00 0.00 C ATOM 306 CD1 PHE A 20 15.844 -2.384 8.042 1.00 0.00 C ATOM 307 CD2 PHE A 20 17.533 -2.969 9.693 1.00 0.00 C ATOM 308 CE1 PHE A 20 14.985 -1.965 9.076 1.00 0.00 C ATOM 309 CE2 PHE A 20 16.680 -2.531 10.723 1.00 0.00 C ATOM 310 CZ PHE A 20 15.403 -2.035 10.416 1.00 0.00 C ATOM 0 H PHE A 20 17.778 -5.694 7.631 1.00 0.00 H new ATOM 0 HA PHE A 20 16.608 -3.920 5.809 1.00 0.00 H new ATOM 0 HB2 PHE A 20 18.982 -3.700 7.693 1.00 0.00 H new ATOM 0 HB3 PHE A 20 18.412 -2.338 6.749 1.00 0.00 H new ATOM 0 HD1 PHE A 20 15.524 -2.310 7.013 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.510 -3.360 9.935 1.00 0.00 H new ATOM 0 HE1 PHE A 20 14.001 -1.588 8.838 1.00 0.00 H new ATOM 0 HE2 PHE A 20 17.008 -2.576 11.751 1.00 0.00 H new ATOM 0 HZ PHE A 20 14.744 -1.708 11.207 1.00 0.00 H new ATOM 320 N LEU A 21 18.185 -3.419 3.915 1.00 0.00 N ATOM 321 CA LEU A 21 18.986 -3.143 2.722 1.00 0.00 C ATOM 322 C LEU A 21 19.347 -1.649 2.674 1.00 0.00 C ATOM 323 O LEU A 21 20.512 -1.313 2.480 1.00 0.00 O ATOM 324 CB LEU A 21 18.186 -3.622 1.493 1.00 0.00 C ATOM 325 CG LEU A 21 18.950 -3.833 0.171 1.00 0.00 C ATOM 326 CD1 LEU A 21 19.655 -2.594 -0.378 1.00 0.00 C ATOM 327 CD2 LEU A 21 19.958 -4.979 0.261 1.00 0.00 C ATOM 0 H LEU A 21 17.272 -2.965 3.888 1.00 0.00 H new ATOM 0 HA LEU A 21 19.934 -3.682 2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 21 17.704 -4.564 1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.392 -2.898 1.308 1.00 0.00 H new ATOM 0 HG LEU A 21 18.158 -4.084 -0.535 1.00 0.00 H new ATOM 0 HD11 LEU A 21 20.163 -2.847 -1.309 1.00 0.00 H new ATOM 0 HD12 LEU A 21 18.921 -1.811 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 21 20.386 -2.239 0.349 1.00 0.00 H new ATOM 0 HD21 LEU A 21 20.471 -5.088 -0.695 1.00 0.00 H new ATOM 0 HD22 LEU A 21 20.687 -4.762 1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 21 19.436 -5.905 0.500 1.00 0.00 H new ATOM 339 N GLY A 22 18.368 -0.767 2.915 1.00 0.00 N ATOM 340 CA GLY A 22 18.526 0.686 2.910 1.00 0.00 C ATOM 341 C GLY A 22 17.833 1.330 4.111 1.00 0.00 C ATOM 342 O GLY A 22 16.655 1.078 4.372 1.00 0.00 O ATOM 0 H GLY A 22 17.414 -1.059 3.125 1.00 0.00 H new ATOM 0 HA2 GLY A 22 19.586 0.938 2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 22 18.113 1.095 1.988 1.00 0.00 H new ATOM 346 N THR A 23 18.577 2.174 4.832 1.00 0.00 N ATOM 347 CA THR A 23 18.125 2.917 6.018 1.00 0.00 C ATOM 348 C THR A 23 16.915 3.812 5.717 1.00 0.00 C ATOM 349 O THR A 23 16.896 4.425 4.648 1.00 0.00 O ATOM 350 CB THR A 23 19.247 3.846 6.512 1.00 0.00 C ATOM 351 OG1 THR A 23 19.706 4.626 5.427 1.00 0.00 O ATOM 352 CG2 THR A 23 20.435 3.086 7.099 1.00 0.00 C ATOM 0 H THR A 23 19.551 2.368 4.598 1.00 0.00 H new ATOM 0 HA THR A 23 17.853 2.170 6.764 1.00 0.00 H new ATOM 0 HB THR A 23 18.827 4.464 7.305 1.00 0.00 H new ATOM 0 HG1 THR A 23 18.963 4.803 4.813 1.00 0.00 H new ATOM 0 HG21 THR A 23 21.193 3.796 7.430 1.00 0.00 H new ATOM 0 HG22 THR A 23 20.102 2.489 7.948 1.00 0.00 H new ATOM 0 HG23 THR A 23 20.859 2.430 6.339 1.00 0.00 H new ATOM 360 N PRO A 24 15.983 4.006 6.674 1.00 0.00 N ATOM 361 CA PRO A 24 14.874 4.944 6.529 1.00 0.00 C ATOM 362 C PRO A 24 15.374 6.378 6.305 1.00 0.00 C ATOM 363 O PRO A 24 16.118 6.906 7.132 1.00 0.00 O ATOM 364 CB PRO A 24 14.045 4.821 7.811 1.00 0.00 C ATOM 365 CG PRO A 24 15.020 4.255 8.836 1.00 0.00 C ATOM 366 CD PRO A 24 15.964 3.399 7.997 1.00 0.00 C ATOM 0 HA PRO A 24 14.270 4.710 5.652 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.653 5.788 8.126 1.00 0.00 H new ATOM 0 HB3 PRO A 24 13.189 4.161 7.670 1.00 0.00 H new ATOM 0 HG2 PRO A 24 15.555 5.047 9.360 1.00 0.00 H new ATOM 0 HG3 PRO A 24 14.507 3.662 9.593 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.963 3.379 8.432 1.00 0.00 H new ATOM 0 HD3 PRO A 24 15.616 2.367 7.948 1.00 0.00 H new ATOM 374 N ALA A 25 14.932 7.017 5.218 1.00 0.00 N ATOM 375 CA ALA A 25 15.227 8.415 4.894 1.00 0.00 C ATOM 376 C ALA A 25 13.925 9.196 4.647 1.00 0.00 C ATOM 377 O ALA A 25 13.073 8.724 3.893 1.00 0.00 O ATOM 378 CB ALA A 25 16.165 8.455 3.684 1.00 0.00 C ATOM 0 H ALA A 25 14.343 6.563 4.520 1.00 0.00 H new ATOM 0 HA ALA A 25 15.728 8.898 5.733 1.00 0.00 H new ATOM 0 HB1 ALA A 25 16.392 9.491 3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 25 17.089 7.929 3.923 1.00 0.00 H new ATOM 0 HB3 ALA A 25 15.683 7.973 2.834 1.00 0.00 H new ATOM 384 N ASP A 26 13.737 10.348 5.314 1.00 0.00 N ATOM 385 CA ASP A 26 12.481 11.103 5.208 1.00 0.00 C ATOM 386 C ASP A 26 12.318 11.708 3.804 1.00 0.00 C ATOM 387 O ASP A 26 13.223 12.348 3.268 1.00 0.00 O ATOM 388 CB ASP A 26 12.309 12.139 6.337 1.00 0.00 C ATOM 389 CG ASP A 26 10.861 12.663 6.464 1.00 0.00 C ATOM 390 OD1 ASP A 26 10.393 13.330 5.510 1.00 0.00 O ATOM 391 OD2 ASP A 26 10.237 12.424 7.531 1.00 0.00 O ATOM 0 H ASP A 26 14.434 10.772 5.927 1.00 0.00 H new ATOM 0 HA ASP A 26 11.664 10.396 5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.611 11.690 7.283 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.979 12.980 6.156 1.00 0.00 H new ATOM 396 N THR A 27 11.150 11.481 3.206 1.00 0.00 N ATOM 397 CA THR A 27 10.745 11.891 1.857 1.00 0.00 C ATOM 398 C THR A 27 10.488 13.393 1.718 1.00 0.00 C ATOM 399 O THR A 27 10.115 13.842 0.631 1.00 0.00 O ATOM 400 CB THR A 27 9.440 11.170 1.482 1.00 0.00 C ATOM 401 OG1 THR A 27 8.441 11.555 2.405 1.00 0.00 O ATOM 402 CG2 THR A 27 9.595 9.650 1.464 1.00 0.00 C ATOM 0 H THR A 27 10.407 10.970 3.683 1.00 0.00 H new ATOM 0 HA THR A 27 11.576 11.630 1.201 1.00 0.00 H new ATOM 0 HB THR A 27 9.161 11.460 0.469 1.00 0.00 H new ATOM 0 HG1 THR A 27 7.689 10.929 2.353 1.00 0.00 H new ATOM 0 HG21 THR A 27 8.644 9.191 1.193 1.00 0.00 H new ATOM 0 HG22 THR A 27 10.354 9.370 0.734 1.00 0.00 H new ATOM 0 HG23 THR A 27 9.897 9.303 2.452 1.00 0.00 H new ATOM 410 N GLY A 28 10.555 14.166 2.810 1.00 0.00 N ATOM 411 CA GLY A 28 10.105 15.557 2.855 1.00 0.00 C ATOM 412 C GLY A 28 8.579 15.697 2.869 1.00 0.00 C ATOM 413 O GLY A 28 8.072 16.788 3.112 1.00 0.00 O ATOM 0 H GLY A 28 10.930 13.834 3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.516 16.037 3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.504 16.090 1.992 1.00 0.00 H new ATOM 417 N HIS A 29 7.843 14.597 2.661 1.00 0.00 N ATOM 418 CA HIS A 29 6.394 14.510 2.825 1.00 0.00 C ATOM 419 C HIS A 29 6.030 14.116 4.272 1.00 0.00 C ATOM 420 O HIS A 29 4.852 13.998 4.601 1.00 0.00 O ATOM 421 CB HIS A 29 5.815 13.508 1.806 1.00 0.00 C ATOM 422 CG HIS A 29 6.144 13.780 0.349 1.00 0.00 C ATOM 423 ND1 HIS A 29 7.396 13.840 -0.237 1.00 0.00 N ATOM 424 CD2 HIS A 29 5.222 13.948 -0.650 1.00 0.00 C ATOM 425 CE1 HIS A 29 7.221 14.047 -1.552 1.00 0.00 C ATOM 426 NE2 HIS A 29 5.915 14.124 -1.851 1.00 0.00 N ATOM 0 H HIS A 29 8.259 13.715 2.364 1.00 0.00 H new ATOM 0 HA HIS A 29 5.954 15.489 2.635 1.00 0.00 H new ATOM 0 HB2 HIS A 29 6.176 12.511 2.060 1.00 0.00 H new ATOM 0 HB3 HIS A 29 4.731 13.492 1.917 1.00 0.00 H new ATOM 0 HD1 HIS A 29 8.291 13.744 0.243 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.149 13.945 -0.531 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.022 14.139 -2.271 1.00 0.00 H new ATOM 434 N GLY A 30 7.034 13.901 5.138 1.00 0.00 N ATOM 435 CA GLY A 30 6.879 13.470 6.526 1.00 0.00 C ATOM 436 C GLY A 30 6.896 11.950 6.709 1.00 0.00 C ATOM 437 O GLY A 30 6.764 11.487 7.841 1.00 0.00 O ATOM 0 H GLY A 30 8.011 14.029 4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 30 7.679 13.907 7.123 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.940 13.863 6.915 1.00 0.00 H new ATOM 441 N THR A 31 7.062 11.192 5.620 1.00 0.00 N ATOM 442 CA THR A 31 7.212 9.732 5.577 1.00 0.00 C ATOM 443 C THR A 31 8.690 9.356 5.431 1.00 0.00 C ATOM 444 O THR A 31 9.475 10.186 4.990 1.00 0.00 O ATOM 445 CB THR A 31 6.406 9.149 4.398 1.00 0.00 C ATOM 446 OG1 THR A 31 6.879 9.637 3.160 1.00 0.00 O ATOM 447 CG2 THR A 31 4.919 9.495 4.500 1.00 0.00 C ATOM 0 H THR A 31 7.097 11.606 4.688 1.00 0.00 H new ATOM 0 HA THR A 31 6.830 9.316 6.509 1.00 0.00 H new ATOM 0 HB THR A 31 6.536 8.068 4.450 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.459 9.137 2.429 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.387 9.066 3.651 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.513 9.088 5.426 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.796 10.578 4.496 1.00 0.00 H new ATOM 455 N VAL A 32 9.087 8.112 5.735 1.00 0.00 N ATOM 456 CA VAL A 32 10.428 7.577 5.430 1.00 0.00 C ATOM 457 C VAL A 32 10.347 6.468 4.395 1.00 0.00 C ATOM 458 O VAL A 32 9.600 5.509 4.582 1.00 0.00 O ATOM 459 CB VAL A 32 11.229 7.084 6.658 1.00 0.00 C ATOM 460 CG1 VAL A 32 11.710 8.264 7.508 1.00 0.00 C ATOM 461 CG2 VAL A 32 10.516 6.027 7.519 1.00 0.00 C ATOM 0 H VAL A 32 8.481 7.439 6.205 1.00 0.00 H new ATOM 0 HA VAL A 32 10.980 8.429 5.033 1.00 0.00 H new ATOM 0 HB VAL A 32 12.092 6.564 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.270 7.890 8.365 1.00 0.00 H new ATOM 0 HG12 VAL A 32 12.352 8.907 6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 32 10.850 8.835 7.858 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.157 5.745 8.354 1.00 0.00 H new ATOM 0 HG22 VAL A 32 9.582 6.439 7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.303 5.147 6.912 1.00 0.00 H new ATOM 471 N VAL A 33 11.160 6.585 3.339 1.00 0.00 N ATOM 472 CA VAL A 33 11.506 5.481 2.436 1.00 0.00 C ATOM 473 C VAL A 33 12.554 4.593 3.115 1.00 0.00 C ATOM 474 O VAL A 33 13.634 5.067 3.466 1.00 0.00 O ATOM 475 CB VAL A 33 12.005 5.980 1.060 1.00 0.00 C ATOM 476 CG1 VAL A 33 10.812 6.247 0.134 1.00 0.00 C ATOM 477 CG2 VAL A 33 12.906 7.222 1.088 1.00 0.00 C ATOM 0 H VAL A 33 11.605 7.467 3.083 1.00 0.00 H new ATOM 0 HA VAL A 33 10.604 4.901 2.239 1.00 0.00 H new ATOM 0 HB VAL A 33 12.634 5.171 0.688 1.00 0.00 H new ATOM 0 HG11 VAL A 33 11.173 6.598 -0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 33 10.245 5.326 -0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 33 10.169 7.007 0.579 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.197 7.484 0.071 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.364 8.055 1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 33 13.798 7.011 1.677 1.00 0.00 H new ATOM 487 N LEU A 34 12.207 3.320 3.331 1.00 0.00 N ATOM 488 CA LEU A 34 12.940 2.307 4.095 1.00 0.00 C ATOM 489 C LEU A 34 12.996 1.018 3.263 1.00 0.00 C ATOM 490 O LEU A 34 11.961 0.564 2.778 1.00 0.00 O ATOM 491 CB LEU A 34 12.163 2.123 5.414 1.00 0.00 C ATOM 492 CG LEU A 34 12.769 1.182 6.473 1.00 0.00 C ATOM 493 CD1 LEU A 34 11.944 1.313 7.755 1.00 0.00 C ATOM 494 CD2 LEU A 34 12.737 -0.301 6.090 1.00 0.00 C ATOM 0 H LEU A 34 11.341 2.943 2.947 1.00 0.00 H new ATOM 0 HA LEU A 34 13.969 2.592 4.316 1.00 0.00 H new ATOM 0 HB2 LEU A 34 12.037 3.105 5.870 1.00 0.00 H new ATOM 0 HB3 LEU A 34 11.167 1.755 5.169 1.00 0.00 H new ATOM 0 HG LEU A 34 13.812 1.479 6.582 1.00 0.00 H new ATOM 0 HD11 LEU A 34 12.355 0.655 8.521 1.00 0.00 H new ATOM 0 HD12 LEU A 34 11.979 2.344 8.106 1.00 0.00 H new ATOM 0 HD13 LEU A 34 10.910 1.033 7.553 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.182 -0.893 6.890 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.704 -0.615 5.938 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.301 -0.451 5.170 1.00 0.00 H new ATOM 506 N GLU A 35 14.176 0.416 3.074 1.00 0.00 N ATOM 507 CA GLU A 35 14.332 -0.728 2.168 1.00 0.00 C ATOM 508 C GLU A 35 14.827 -1.993 2.878 1.00 0.00 C ATOM 509 O GLU A 35 15.812 -1.960 3.620 1.00 0.00 O ATOM 510 CB GLU A 35 15.241 -0.327 0.997 1.00 0.00 C ATOM 511 CG GLU A 35 15.138 -1.350 -0.136 1.00 0.00 C ATOM 512 CD GLU A 35 15.785 -0.878 -1.432 1.00 0.00 C ATOM 513 OE1 GLU A 35 16.989 -0.538 -1.425 1.00 0.00 O ATOM 514 OE2 GLU A 35 15.123 -0.971 -2.494 1.00 0.00 O ATOM 0 H GLU A 35 15.038 0.703 3.537 1.00 0.00 H new ATOM 0 HA GLU A 35 13.347 -0.990 1.781 1.00 0.00 H new ATOM 0 HB2 GLU A 35 14.958 0.660 0.631 1.00 0.00 H new ATOM 0 HB3 GLU A 35 16.274 -0.256 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 35 15.609 -2.281 0.180 1.00 0.00 H new ATOM 0 HG3 GLU A 35 14.087 -1.572 -0.322 1.00 0.00 H new ATOM 521 N LEU A 36 14.168 -3.126 2.598 1.00 0.00 N ATOM 522 CA LEU A 36 14.565 -4.452 3.078 1.00 0.00 C ATOM 523 C LEU A 36 14.775 -5.431 1.915 1.00 0.00 C ATOM 524 O LEU A 36 14.346 -5.197 0.782 1.00 0.00 O ATOM 525 CB LEU A 36 13.517 -5.018 4.061 1.00 0.00 C ATOM 526 CG LEU A 36 13.295 -4.190 5.345 1.00 0.00 C ATOM 527 CD1 LEU A 36 11.914 -3.531 5.326 1.00 0.00 C ATOM 528 CD2 LEU A 36 13.379 -5.071 6.598 1.00 0.00 C ATOM 0 H LEU A 36 13.328 -3.144 2.020 1.00 0.00 H new ATOM 0 HA LEU A 36 15.514 -4.336 3.602 1.00 0.00 H new ATOM 0 HB2 LEU A 36 12.565 -5.107 3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.819 -6.025 4.347 1.00 0.00 H new ATOM 0 HG LEU A 36 14.079 -3.433 5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 36 11.775 -2.952 6.239 1.00 0.00 H new ATOM 0 HD12 LEU A 36 11.838 -2.871 4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 36 11.144 -4.300 5.264 1.00 0.00 H new ATOM 0 HD21 LEU A 36 13.218 -4.458 7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 36 12.615 -5.847 6.549 1.00 0.00 H new ATOM 0 HD23 LEU A 36 14.364 -5.535 6.651 1.00 0.00 H new ATOM 540 N GLN A 37 15.381 -6.574 2.238 1.00 0.00 N ATOM 541 CA GLN A 37 15.399 -7.778 1.415 1.00 0.00 C ATOM 542 C GLN A 37 14.812 -8.951 2.211 1.00 0.00 C ATOM 543 O GLN A 37 15.122 -9.118 3.395 1.00 0.00 O ATOM 544 CB GLN A 37 16.823 -8.039 0.887 1.00 0.00 C ATOM 545 CG GLN A 37 17.824 -8.482 1.971 1.00 0.00 C ATOM 546 CD GLN A 37 19.271 -8.510 1.487 1.00 0.00 C ATOM 547 OE1 GLN A 37 20.161 -7.923 2.091 1.00 0.00 O ATOM 548 NE2 GLN A 37 19.569 -9.193 0.397 1.00 0.00 N ATOM 0 H GLN A 37 15.891 -6.688 3.114 1.00 0.00 H new ATOM 0 HA GLN A 37 14.770 -7.649 0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 37 16.777 -8.806 0.114 1.00 0.00 H new ATOM 0 HB3 GLN A 37 17.195 -7.131 0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 37 17.747 -7.807 2.823 1.00 0.00 H new ATOM 0 HG3 GLN A 37 17.548 -9.475 2.325 1.00 0.00 H new ATOM 0 HE21 GLN A 37 18.835 -9.685 -0.113 1.00 0.00 H new ATOM 0 HE22 GLN A 37 20.533 -9.229 0.065 1.00 0.00 H new ATOM 557 N TYR A 38 13.960 -9.757 1.569 1.00 0.00 N ATOM 558 CA TYR A 38 13.424 -10.991 2.140 1.00 0.00 C ATOM 559 C TYR A 38 14.341 -12.163 1.769 1.00 0.00 C ATOM 560 O TYR A 38 14.353 -12.624 0.629 1.00 0.00 O ATOM 561 CB TYR A 38 11.976 -11.215 1.697 1.00 0.00 C ATOM 562 CG TYR A 38 11.274 -12.282 2.519 1.00 0.00 C ATOM 563 CD1 TYR A 38 11.321 -13.636 2.142 1.00 0.00 C ATOM 564 CD2 TYR A 38 10.613 -11.918 3.705 1.00 0.00 C ATOM 565 CE1 TYR A 38 10.706 -14.619 2.941 1.00 0.00 C ATOM 566 CE2 TYR A 38 10.011 -12.894 4.520 1.00 0.00 C ATOM 567 CZ TYR A 38 10.059 -14.251 4.142 1.00 0.00 C ATOM 568 OH TYR A 38 9.497 -15.195 4.944 1.00 0.00 O ATOM 0 H TYR A 38 13.621 -9.566 0.626 1.00 0.00 H new ATOM 0 HA TYR A 38 13.402 -10.913 3.227 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.426 -10.278 1.778 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.962 -11.503 0.646 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.832 -13.923 1.235 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.567 -10.878 3.994 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.729 -15.655 2.636 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.513 -12.604 5.433 1.00 0.00 H new ATOM 0 HH TYR A 38 9.799 -16.084 4.664 1.00 0.00 H new ATOM 578 N THR A 39 15.156 -12.607 2.726 1.00 0.00 N ATOM 579 CA THR A 39 16.209 -13.617 2.552 1.00 0.00 C ATOM 580 C THR A 39 15.691 -15.058 2.517 1.00 0.00 C ATOM 581 O THR A 39 16.473 -15.966 2.238 1.00 0.00 O ATOM 582 CB THR A 39 17.259 -13.486 3.670 1.00 0.00 C ATOM 583 OG1 THR A 39 16.645 -13.488 4.940 1.00 0.00 O ATOM 584 CG2 THR A 39 18.054 -12.186 3.560 1.00 0.00 C ATOM 0 H THR A 39 15.101 -12.261 3.684 1.00 0.00 H new ATOM 0 HA THR A 39 16.652 -13.417 1.576 1.00 0.00 H new ATOM 0 HB THR A 39 17.926 -14.340 3.556 1.00 0.00 H new ATOM 0 HG1 THR A 39 17.331 -13.405 5.635 1.00 0.00 H new ATOM 0 HG21 THR A 39 18.783 -12.136 4.369 1.00 0.00 H new ATOM 0 HG22 THR A 39 18.573 -12.157 2.602 1.00 0.00 H new ATOM 0 HG23 THR A 39 17.374 -11.337 3.631 1.00 0.00 H new ATOM 592 N GLY A 40 14.399 -15.287 2.786 1.00 0.00 N ATOM 593 CA GLY A 40 13.805 -16.622 2.830 1.00 0.00 C ATOM 594 C GLY A 40 13.084 -17.021 1.543 1.00 0.00 C ATOM 595 O GLY A 40 12.646 -16.189 0.751 1.00 0.00 O ATOM 0 H GLY A 40 13.733 -14.540 2.981 1.00 0.00 H new ATOM 0 HA2 GLY A 40 14.588 -17.351 3.037 1.00 0.00 H new ATOM 0 HA3 GLY A 40 13.099 -16.668 3.660 1.00 0.00 H new ATOM 599 N THR A 41 12.896 -18.329 1.387 1.00 0.00 N ATOM 600 CA THR A 41 12.197 -19.008 0.287 1.00 0.00 C ATOM 601 C THR A 41 10.672 -19.048 0.421 1.00 0.00 C ATOM 602 O THR A 41 9.981 -19.470 -0.500 1.00 0.00 O ATOM 603 CB THR A 41 12.700 -20.462 0.244 1.00 0.00 C ATOM 604 OG1 THR A 41 12.923 -21.001 1.549 1.00 0.00 O ATOM 605 CG2 THR A 41 14.044 -20.497 -0.494 1.00 0.00 C ATOM 0 H THR A 41 13.252 -18.995 2.073 1.00 0.00 H new ATOM 0 HA THR A 41 12.413 -18.439 -0.617 1.00 0.00 H new ATOM 0 HB THR A 41 11.933 -21.054 -0.256 1.00 0.00 H new ATOM 0 HG1 THR A 41 12.075 -21.035 2.038 1.00 0.00 H new ATOM 0 HG21 THR A 41 14.412 -21.522 -0.532 1.00 0.00 H new ATOM 0 HG22 THR A 41 13.912 -20.121 -1.509 1.00 0.00 H new ATOM 0 HG23 THR A 41 14.765 -19.872 0.033 1.00 0.00 H new ATOM 613 N ASP A 42 10.159 -18.680 1.592 1.00 0.00 N ATOM 614 CA ASP A 42 8.876 -19.132 2.115 1.00 0.00 C ATOM 615 C ASP A 42 8.416 -18.237 3.279 1.00 0.00 C ATOM 616 O ASP A 42 9.172 -17.392 3.767 1.00 0.00 O ATOM 617 CB ASP A 42 9.049 -20.587 2.594 1.00 0.00 C ATOM 618 CG ASP A 42 10.088 -20.692 3.713 1.00 0.00 C ATOM 619 OD1 ASP A 42 11.305 -20.509 3.437 1.00 0.00 O ATOM 620 OD2 ASP A 42 9.673 -20.868 4.880 1.00 0.00 O ATOM 0 H ASP A 42 10.641 -18.039 2.222 1.00 0.00 H new ATOM 0 HA ASP A 42 8.114 -19.075 1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 42 8.092 -20.970 2.948 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.352 -21.213 1.755 1.00 0.00 H new ATOM 625 N GLY A 43 7.184 -18.460 3.748 1.00 0.00 N ATOM 626 CA GLY A 43 6.565 -17.761 4.875 1.00 0.00 C ATOM 627 C GLY A 43 5.489 -16.737 4.483 1.00 0.00 C ATOM 628 O GLY A 43 5.650 -15.568 4.834 1.00 0.00 O ATOM 0 H GLY A 43 6.568 -19.160 3.335 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.119 -18.499 5.542 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.344 -17.250 5.440 1.00 0.00 H new ATOM 632 N PRO A 44 4.377 -17.134 3.823 1.00 0.00 N ATOM 633 CA PRO A 44 3.149 -16.338 3.806 1.00 0.00 C ATOM 634 C PRO A 44 2.684 -16.067 5.249 1.00 0.00 C ATOM 635 O PRO A 44 2.226 -16.987 5.929 1.00 0.00 O ATOM 636 CB PRO A 44 2.106 -17.131 3.000 1.00 0.00 C ATOM 637 CG PRO A 44 2.901 -18.247 2.326 1.00 0.00 C ATOM 638 CD PRO A 44 4.127 -18.432 3.215 1.00 0.00 C ATOM 0 HA PRO A 44 3.304 -15.366 3.339 1.00 0.00 H new ATOM 0 HB2 PRO A 44 1.329 -17.535 3.648 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.610 -16.498 2.264 1.00 0.00 H new ATOM 0 HG2 PRO A 44 2.317 -19.165 2.258 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.185 -17.974 1.310 1.00 0.00 H new ATOM 0 HD2 PRO A 44 3.947 -19.192 3.976 1.00 0.00 H new ATOM 0 HD3 PRO A 44 4.986 -18.762 2.632 1.00 0.00 H new ATOM 646 N CYS A 45 2.881 -14.837 5.737 1.00 0.00 N ATOM 647 CA CYS A 45 2.765 -14.459 7.149 1.00 0.00 C ATOM 648 C CYS A 45 2.426 -12.968 7.323 1.00 0.00 C ATOM 649 O CYS A 45 2.665 -12.173 6.420 1.00 0.00 O ATOM 650 CB CYS A 45 4.097 -14.734 7.855 1.00 0.00 C ATOM 651 SG CYS A 45 4.480 -16.458 8.248 1.00 0.00 S ATOM 0 H CYS A 45 3.134 -14.051 5.139 1.00 0.00 H new ATOM 0 HA CYS A 45 1.957 -15.049 7.581 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.899 -14.344 7.229 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.112 -14.164 8.784 1.00 0.00 H new ATOM 656 N LYS A 46 1.948 -12.531 8.497 1.00 0.00 N ATOM 657 CA LYS A 46 1.804 -11.102 8.812 1.00 0.00 C ATOM 658 C LYS A 46 3.097 -10.526 9.400 1.00 0.00 C ATOM 659 O LYS A 46 3.320 -10.644 10.604 1.00 0.00 O ATOM 660 CB LYS A 46 0.572 -10.852 9.699 1.00 0.00 C ATOM 661 CG LYS A 46 0.438 -9.365 10.041 1.00 0.00 C ATOM 662 CD LYS A 46 -0.974 -8.977 10.487 1.00 0.00 C ATOM 663 CE LYS A 46 -1.065 -7.458 10.677 1.00 0.00 C ATOM 664 NZ LYS A 46 -1.101 -6.728 9.388 1.00 0.00 N ATOM 0 H LYS A 46 1.652 -13.153 9.250 1.00 0.00 H new ATOM 0 HA LYS A 46 1.629 -10.561 7.882 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.327 -11.194 9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.655 -11.434 10.617 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.144 -9.115 10.833 1.00 0.00 H new ATOM 0 HG3 LYS A 46 0.713 -8.771 9.169 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.702 -9.303 9.744 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.222 -9.484 11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.960 -7.220 11.251 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.211 -7.116 11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -1.265 -5.717 9.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.194 -6.850 8.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.870 -7.104 8.797 1.00 0.00 H new ATOM 678 N VAL A 47 3.912 -9.882 8.549 1.00 0.00 N ATOM 679 CA VAL A 47 5.085 -9.083 8.947 1.00 0.00 C ATOM 680 C VAL A 47 4.688 -7.997 9.967 1.00 0.00 C ATOM 681 O VAL A 47 3.923 -7.092 9.636 1.00 0.00 O ATOM 682 CB VAL A 47 5.860 -8.486 7.745 1.00 0.00 C ATOM 683 CG1 VAL A 47 4.999 -7.778 6.690 1.00 0.00 C ATOM 684 CG2 VAL A 47 6.964 -7.515 8.191 1.00 0.00 C ATOM 0 H VAL A 47 3.771 -9.902 7.539 1.00 0.00 H new ATOM 0 HA VAL A 47 5.780 -9.771 9.429 1.00 0.00 H new ATOM 0 HB VAL A 47 6.288 -9.370 7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.639 -7.398 5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 47 4.281 -8.484 6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.465 -6.949 7.153 1.00 0.00 H new ATOM 0 HG21 VAL A 47 7.479 -7.122 7.314 1.00 0.00 H new ATOM 0 HG22 VAL A 47 6.520 -6.691 8.750 1.00 0.00 H new ATOM 0 HG23 VAL A 47 7.677 -8.041 8.825 1.00 0.00 H new ATOM 694 N PRO A 48 5.182 -8.057 11.214 1.00 0.00 N ATOM 695 CA PRO A 48 4.969 -7.029 12.223 1.00 0.00 C ATOM 696 C PRO A 48 5.973 -5.880 12.047 1.00 0.00 C ATOM 697 O PRO A 48 7.064 -5.886 12.620 1.00 0.00 O ATOM 698 CB PRO A 48 5.138 -7.759 13.551 1.00 0.00 C ATOM 699 CG PRO A 48 6.218 -8.787 13.219 1.00 0.00 C ATOM 700 CD PRO A 48 6.001 -9.125 11.756 1.00 0.00 C ATOM 0 HA PRO A 48 3.988 -6.559 12.155 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.449 -7.085 14.349 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.212 -8.232 13.876 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.215 -8.380 13.386 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.126 -9.673 13.847 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.951 -9.194 11.227 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.505 -10.090 11.648 1.00 0.00 H new ATOM 708 N ILE A 49 5.594 -4.877 11.256 1.00 0.00 N ATOM 709 CA ILE A 49 6.313 -3.603 11.143 1.00 0.00 C ATOM 710 C ILE A 49 5.422 -2.467 11.666 1.00 0.00 C ATOM 711 O ILE A 49 4.202 -2.502 11.494 1.00 0.00 O ATOM 712 CB ILE A 49 6.871 -3.405 9.712 1.00 0.00 C ATOM 713 CG1 ILE A 49 7.630 -2.067 9.600 1.00 0.00 C ATOM 714 CG2 ILE A 49 5.776 -3.505 8.636 1.00 0.00 C ATOM 715 CD1 ILE A 49 8.545 -1.958 8.372 1.00 0.00 C ATOM 0 H ILE A 49 4.765 -4.925 10.664 1.00 0.00 H new ATOM 0 HA ILE A 49 7.200 -3.602 11.776 1.00 0.00 H new ATOM 0 HB ILE A 49 7.571 -4.220 9.528 1.00 0.00 H new ATOM 0 HG12 ILE A 49 6.905 -1.253 9.571 1.00 0.00 H new ATOM 0 HG13 ILE A 49 8.230 -1.927 10.499 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.219 -3.359 7.651 1.00 0.00 H new ATOM 0 HG22 ILE A 49 5.310 -4.489 8.682 1.00 0.00 H new ATOM 0 HG23 ILE A 49 5.022 -2.738 8.812 1.00 0.00 H new ATOM 0 HD11 ILE A 49 9.039 -0.987 8.372 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.296 -2.747 8.407 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.950 -2.063 7.465 1.00 0.00 H new ATOM 727 N SER A 50 6.030 -1.485 12.341 1.00 0.00 N ATOM 728 CA SER A 50 5.344 -0.420 13.078 1.00 0.00 C ATOM 729 C SER A 50 6.156 0.888 13.133 1.00 0.00 C ATOM 730 O SER A 50 7.353 0.913 12.838 1.00 0.00 O ATOM 731 CB SER A 50 5.070 -0.941 14.491 1.00 0.00 C ATOM 732 OG SER A 50 4.360 0.001 15.265 1.00 0.00 O ATOM 0 H SER A 50 7.046 -1.408 12.390 1.00 0.00 H new ATOM 0 HA SER A 50 4.417 -0.173 12.560 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.500 -1.868 14.433 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.014 -1.177 14.981 1.00 0.00 H new ATOM 0 HG SER A 50 4.240 -0.346 16.174 1.00 0.00 H new ATOM 738 N SER A 51 5.488 1.975 13.540 1.00 0.00 N ATOM 739 CA SER A 51 6.013 3.338 13.660 1.00 0.00 C ATOM 740 C SER A 51 5.511 4.001 14.948 1.00 0.00 C ATOM 741 O SER A 51 4.301 4.130 15.163 1.00 0.00 O ATOM 742 CB SER A 51 5.594 4.174 12.448 1.00 0.00 C ATOM 743 OG SER A 51 6.101 5.480 12.612 1.00 0.00 O ATOM 0 H SER A 51 4.506 1.921 13.811 1.00 0.00 H new ATOM 0 HA SER A 51 7.101 3.283 13.698 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.979 3.730 11.530 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.508 4.197 12.360 1.00 0.00 H new ATOM 0 HG SER A 51 5.774 6.051 11.886 1.00 0.00 H new ATOM 749 N VAL A 52 6.442 4.420 15.809 1.00 0.00 N ATOM 750 CA VAL A 52 6.179 5.021 17.125 1.00 0.00 C ATOM 751 C VAL A 52 7.031 6.274 17.373 1.00 0.00 C ATOM 752 O VAL A 52 7.824 6.673 16.518 1.00 0.00 O ATOM 753 CB VAL A 52 6.345 3.979 18.250 1.00 0.00 C ATOM 754 CG1 VAL A 52 5.348 2.831 18.132 1.00 0.00 C ATOM 755 CG2 VAL A 52 7.756 3.407 18.347 1.00 0.00 C ATOM 0 H VAL A 52 7.439 4.348 15.603 1.00 0.00 H new ATOM 0 HA VAL A 52 5.141 5.352 17.130 1.00 0.00 H new ATOM 0 HB VAL A 52 6.144 4.536 19.165 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.507 2.126 18.948 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.333 3.224 18.185 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.491 2.322 17.179 1.00 0.00 H new ATOM 0 HG21 VAL A 52 7.799 2.681 19.159 1.00 0.00 H new ATOM 0 HG22 VAL A 52 8.015 2.917 17.408 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.463 4.213 18.543 1.00 0.00 H new ATOM 765 N ALA A 53 6.860 6.902 18.547 1.00 0.00 N ATOM 766 CA ALA A 53 7.514 8.155 18.937 1.00 0.00 C ATOM 767 C ALA A 53 8.615 7.975 20.002 1.00 0.00 C ATOM 768 O ALA A 53 9.438 8.865 20.208 1.00 0.00 O ATOM 769 CB ALA A 53 6.427 9.122 19.416 1.00 0.00 C ATOM 0 H ALA A 53 6.242 6.538 19.272 1.00 0.00 H new ATOM 0 HA ALA A 53 8.035 8.556 18.068 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.885 10.065 19.714 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.718 9.302 18.608 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.904 8.688 20.268 1.00 0.00 H new ATOM 775 N SER A 54 8.648 6.848 20.723 1.00 0.00 N ATOM 776 CA SER A 54 9.613 6.588 21.806 1.00 0.00 C ATOM 777 C SER A 54 9.785 5.082 22.066 1.00 0.00 C ATOM 778 O SER A 54 9.767 4.634 23.208 1.00 0.00 O ATOM 779 CB SER A 54 9.164 7.339 23.071 1.00 0.00 C ATOM 780 OG SER A 54 9.273 8.734 22.857 1.00 0.00 O ATOM 0 H SER A 54 7.997 6.078 20.571 1.00 0.00 H new ATOM 0 HA SER A 54 10.593 6.957 21.505 1.00 0.00 H new ATOM 0 HB2 SER A 54 8.135 7.077 23.316 1.00 0.00 H new ATOM 0 HB3 SER A 54 9.779 7.042 23.921 1.00 0.00 H new ATOM 0 HG SER A 54 9.714 8.900 21.998 1.00 0.00 H new ATOM 786 N LEU A 55 9.888 4.285 20.990 1.00 0.00 N ATOM 787 CA LEU A 55 9.944 2.808 20.984 1.00 0.00 C ATOM 788 C LEU A 55 8.720 2.113 21.640 1.00 0.00 C ATOM 789 O LEU A 55 8.684 0.895 21.797 1.00 0.00 O ATOM 790 CB LEU A 55 11.320 2.337 21.516 1.00 0.00 C ATOM 791 CG LEU A 55 12.095 1.449 20.520 1.00 0.00 C ATOM 792 CD1 LEU A 55 13.546 1.285 20.974 1.00 0.00 C ATOM 793 CD2 LEU A 55 11.475 0.059 20.360 1.00 0.00 C ATOM 0 H LEU A 55 9.937 4.672 20.048 1.00 0.00 H new ATOM 0 HA LEU A 55 9.860 2.475 19.949 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.925 3.211 21.758 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.172 1.784 22.444 1.00 0.00 H new ATOM 0 HG LEU A 55 12.047 1.955 19.556 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.081 0.656 20.262 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.024 2.263 21.025 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.569 0.818 21.959 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.062 -0.521 19.648 1.00 0.00 H new ATOM 0 HD22 LEU A 55 11.468 -0.449 21.324 1.00 0.00 H new ATOM 0 HD23 LEU A 55 10.453 0.156 19.994 1.00 0.00 H new ATOM 805 N ASN A 56 7.683 2.891 21.968 1.00 0.00 N ATOM 806 CA ASN A 56 6.450 2.557 22.679 1.00 0.00 C ATOM 807 C ASN A 56 5.457 1.671 21.885 1.00 0.00 C ATOM 808 O ASN A 56 4.256 1.947 21.850 1.00 0.00 O ATOM 809 CB ASN A 56 5.842 3.903 23.126 1.00 0.00 C ATOM 810 CG ASN A 56 5.439 4.806 21.963 1.00 0.00 C ATOM 811 OD1 ASN A 56 6.222 5.604 21.457 1.00 0.00 O ATOM 812 ND2 ASN A 56 4.220 4.664 21.492 1.00 0.00 N ATOM 0 H ASN A 56 7.691 3.878 21.712 1.00 0.00 H new ATOM 0 HA ASN A 56 6.681 1.920 23.533 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.966 3.709 23.745 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.564 4.429 23.751 1.00 0.00 H new ATOM 0 HD21 ASN A 56 3.913 5.221 20.695 1.00 0.00 H new ATOM 0 HD22 ASN A 56 3.581 3.996 21.924 1.00 0.00 H new ATOM 819 N ASP A 57 5.935 0.602 21.241 1.00 0.00 N ATOM 820 CA ASP A 57 5.179 -0.190 20.254 1.00 0.00 C ATOM 821 C ASP A 57 3.935 -0.935 20.786 1.00 0.00 C ATOM 822 O ASP A 57 3.174 -1.499 20.003 1.00 0.00 O ATOM 823 CB ASP A 57 6.144 -1.116 19.496 1.00 0.00 C ATOM 824 CG ASP A 57 5.657 -1.451 18.080 1.00 0.00 C ATOM 825 OD1 ASP A 57 4.993 -0.584 17.459 1.00 0.00 O ATOM 826 OD2 ASP A 57 6.022 -2.536 17.583 1.00 0.00 O ATOM 0 H ASP A 57 6.881 0.251 21.392 1.00 0.00 H new ATOM 0 HA ASP A 57 4.737 0.532 19.567 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.124 -0.642 19.436 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.272 -2.040 20.060 1.00 0.00 H new ATOM 831 N LEU A 58 3.644 -0.849 22.092 1.00 0.00 N ATOM 832 CA LEU A 58 2.311 -1.119 22.643 1.00 0.00 C ATOM 833 C LEU A 58 1.207 -0.183 22.100 1.00 0.00 C ATOM 834 O LEU A 58 0.025 -0.409 22.355 1.00 0.00 O ATOM 835 CB LEU A 58 2.349 -1.138 24.186 1.00 0.00 C ATOM 836 CG LEU A 58 2.935 0.083 24.934 1.00 0.00 C ATOM 837 CD1 LEU A 58 2.224 1.414 24.665 1.00 0.00 C ATOM 838 CD2 LEU A 58 2.839 -0.178 26.442 1.00 0.00 C ATOM 0 H LEU A 58 4.332 -0.589 22.799 1.00 0.00 H new ATOM 0 HA LEU A 58 2.031 -2.113 22.294 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.328 -1.282 24.539 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.919 -2.016 24.491 1.00 0.00 H new ATOM 0 HG LEU A 58 3.957 0.186 24.568 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.709 2.207 25.234 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.277 1.646 23.601 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.180 1.336 24.968 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.248 0.674 26.985 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.795 -0.319 26.721 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.406 -1.075 26.693 1.00 0.00 H new ATOM 850 N THR A 59 1.550 0.888 21.376 1.00 0.00 N ATOM 851 CA THR A 59 0.598 1.773 20.691 1.00 0.00 C ATOM 852 C THR A 59 1.298 2.486 19.522 1.00 0.00 C ATOM 853 O THR A 59 1.990 3.480 19.752 1.00 0.00 O ATOM 854 CB THR A 59 -0.035 2.773 21.676 1.00 0.00 C ATOM 855 OG1 THR A 59 -0.783 2.063 22.640 1.00 0.00 O ATOM 856 CG2 THR A 59 -1.020 3.734 21.007 1.00 0.00 C ATOM 0 H THR A 59 2.521 1.171 21.246 1.00 0.00 H new ATOM 0 HA THR A 59 -0.216 1.172 20.284 1.00 0.00 H new ATOM 0 HB THR A 59 0.791 3.341 22.103 1.00 0.00 H new ATOM 0 HG1 THR A 59 -0.851 1.122 22.374 1.00 0.00 H new ATOM 0 HG21 THR A 59 -1.431 4.412 21.755 1.00 0.00 H new ATOM 0 HG22 THR A 59 -0.502 4.310 20.240 1.00 0.00 H new ATOM 0 HG23 THR A 59 -1.829 3.165 20.549 1.00 0.00 H new ATOM 864 N PRO A 60 1.147 1.993 18.275 1.00 0.00 N ATOM 865 CA PRO A 60 1.592 2.666 17.054 1.00 0.00 C ATOM 866 C PRO A 60 1.167 4.141 16.979 1.00 0.00 C ATOM 867 O PRO A 60 -0.031 4.436 16.980 1.00 0.00 O ATOM 868 CB PRO A 60 1.025 1.840 15.902 1.00 0.00 C ATOM 869 CG PRO A 60 0.964 0.434 16.488 1.00 0.00 C ATOM 870 CD PRO A 60 0.564 0.700 17.937 1.00 0.00 C ATOM 0 HA PRO A 60 2.680 2.713 17.019 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.040 2.194 15.598 1.00 0.00 H new ATOM 0 HB3 PRO A 60 1.665 1.883 15.021 1.00 0.00 H new ATOM 0 HG2 PRO A 60 0.233 -0.190 15.973 1.00 0.00 H new ATOM 0 HG3 PRO A 60 1.924 -0.077 16.419 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.520 0.718 18.047 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.938 -0.083 18.597 1.00 0.00 H new ATOM 878 N VAL A 61 2.139 5.059 16.893 1.00 0.00 N ATOM 879 CA VAL A 61 1.939 6.528 16.889 1.00 0.00 C ATOM 880 C VAL A 61 1.997 7.108 15.468 1.00 0.00 C ATOM 881 O VAL A 61 1.405 8.154 15.188 1.00 0.00 O ATOM 882 CB VAL A 61 2.978 7.242 17.787 1.00 0.00 C ATOM 883 CG1 VAL A 61 2.600 8.705 18.056 1.00 0.00 C ATOM 884 CG2 VAL A 61 3.155 6.554 19.146 1.00 0.00 C ATOM 0 H VAL A 61 3.122 4.798 16.822 1.00 0.00 H new ATOM 0 HA VAL A 61 0.943 6.707 17.293 1.00 0.00 H new ATOM 0 HB VAL A 61 3.912 7.192 17.227 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.357 9.166 18.690 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.540 9.245 17.111 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.633 8.745 18.558 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.895 7.096 19.735 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.203 6.547 19.677 1.00 0.00 H new ATOM 0 HG23 VAL A 61 3.493 5.529 18.994 1.00 0.00 H new ATOM 894 N GLY A 62 2.668 6.401 14.557 1.00 0.00 N ATOM 895 CA GLY A 62 2.659 6.617 13.117 1.00 0.00 C ATOM 896 C GLY A 62 1.913 5.494 12.391 1.00 0.00 C ATOM 897 O GLY A 62 1.122 4.755 12.988 1.00 0.00 O ATOM 0 H GLY A 62 3.265 5.618 14.824 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.187 7.574 12.894 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.683 6.673 12.749 1.00 0.00 H new ATOM 901 N ARG A 63 2.187 5.348 11.090 1.00 0.00 N ATOM 902 CA ARG A 63 1.651 4.249 10.279 1.00 0.00 C ATOM 903 C ARG A 63 2.662 3.677 9.288 1.00 0.00 C ATOM 904 O ARG A 63 3.763 4.196 9.121 1.00 0.00 O ATOM 905 CB ARG A 63 0.346 4.687 9.584 1.00 0.00 C ATOM 906 CG ARG A 63 0.531 5.681 8.420 1.00 0.00 C ATOM 907 CD ARG A 63 0.196 7.117 8.810 1.00 0.00 C ATOM 908 NE ARG A 63 -1.249 7.277 9.000 1.00 0.00 N ATOM 909 CZ ARG A 63 -1.964 8.377 8.877 1.00 0.00 C ATOM 910 NH1 ARG A 63 -1.437 9.567 8.706 1.00 0.00 N ATOM 911 NH2 ARG A 63 -3.265 8.244 8.923 1.00 0.00 N ATOM 0 H ARG A 63 2.787 5.988 10.570 1.00 0.00 H new ATOM 0 HA ARG A 63 1.425 3.429 10.960 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.163 3.800 9.207 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.310 5.139 10.328 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.562 5.636 8.070 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.102 5.379 7.586 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.720 7.382 9.728 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.544 7.800 8.036 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.763 6.435 9.259 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.424 9.675 8.662 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.041 10.384 8.617 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.679 7.320 9.049 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.865 9.064 8.833 1.00 0.00 H new ATOM 925 N LEU A 64 2.235 2.618 8.605 1.00 0.00 N ATOM 926 CA LEU A 64 2.792 2.142 7.348 1.00 0.00 C ATOM 927 C LEU A 64 2.099 2.922 6.220 1.00 0.00 C ATOM 928 O LEU A 64 0.946 3.315 6.380 1.00 0.00 O ATOM 929 CB LEU A 64 2.563 0.619 7.211 1.00 0.00 C ATOM 930 CG LEU A 64 2.877 -0.287 8.425 1.00 0.00 C ATOM 931 CD1 LEU A 64 4.213 0.050 9.085 1.00 0.00 C ATOM 932 CD2 LEU A 64 1.781 -0.316 9.502 1.00 0.00 C ATOM 0 H LEU A 64 1.456 2.045 8.930 1.00 0.00 H new ATOM 0 HA LEU A 64 3.869 2.307 7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.518 0.464 6.943 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.163 0.268 6.371 1.00 0.00 H new ATOM 0 HG LEU A 64 2.930 -1.283 7.985 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.380 -0.618 9.930 1.00 0.00 H new ATOM 0 HD12 LEU A 64 5.018 -0.073 8.361 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.196 1.082 9.436 1.00 0.00 H new ATOM 0 HD21 LEU A 64 2.086 -0.976 10.314 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.626 0.690 9.891 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.852 -0.683 9.066 1.00 0.00 H new ATOM 944 N VAL A 65 2.775 3.158 5.094 1.00 0.00 N ATOM 945 CA VAL A 65 2.239 3.999 4.008 1.00 0.00 C ATOM 946 C VAL A 65 2.089 3.199 2.714 1.00 0.00 C ATOM 947 O VAL A 65 1.062 3.321 2.054 1.00 0.00 O ATOM 948 CB VAL A 65 3.102 5.264 3.831 1.00 0.00 C ATOM 949 CG1 VAL A 65 2.677 6.129 2.637 1.00 0.00 C ATOM 950 CG2 VAL A 65 3.069 6.138 5.092 1.00 0.00 C ATOM 0 H VAL A 65 3.702 2.778 4.904 1.00 0.00 H new ATOM 0 HA VAL A 65 1.237 4.331 4.281 1.00 0.00 H new ATOM 0 HB VAL A 65 4.111 4.896 3.645 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.326 7.002 2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 65 2.758 5.547 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.645 6.453 2.772 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.687 7.023 4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.043 6.443 5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.454 5.570 5.939 1.00 0.00 H new ATOM 960 N THR A 66 3.064 2.349 2.368 1.00 0.00 N ATOM 961 CA THR A 66 3.001 1.519 1.152 1.00 0.00 C ATOM 962 C THR A 66 1.813 0.547 1.136 1.00 0.00 C ATOM 963 O THR A 66 1.165 0.422 0.100 1.00 0.00 O ATOM 964 CB THR A 66 4.326 0.765 0.953 1.00 0.00 C ATOM 965 OG1 THR A 66 5.337 1.706 0.691 1.00 0.00 O ATOM 966 CG2 THR A 66 4.345 -0.216 -0.221 1.00 0.00 C ATOM 0 H THR A 66 3.914 2.216 2.916 1.00 0.00 H new ATOM 0 HA THR A 66 2.842 2.202 0.317 1.00 0.00 H new ATOM 0 HB THR A 66 4.470 0.190 1.867 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.935 1.359 -0.003 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.322 -0.697 -0.277 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.575 -0.974 -0.075 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.152 0.323 -1.149 1.00 0.00 H new ATOM 974 N VAL A 67 1.544 -0.175 2.236 1.00 0.00 N ATOM 975 CA VAL A 67 0.516 -1.231 2.290 1.00 0.00 C ATOM 976 C VAL A 67 0.138 -1.580 3.743 1.00 0.00 C ATOM 977 O VAL A 67 0.885 -1.260 4.670 1.00 0.00 O ATOM 978 CB VAL A 67 1.027 -2.468 1.498 1.00 0.00 C ATOM 979 CG1 VAL A 67 2.208 -3.184 2.170 1.00 0.00 C ATOM 980 CG2 VAL A 67 -0.082 -3.472 1.156 1.00 0.00 C ATOM 0 H VAL A 67 2.036 -0.043 3.119 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.401 -0.872 1.824 1.00 0.00 H new ATOM 0 HB VAL A 67 1.392 -2.047 0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.511 -4.036 1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.045 -2.492 2.268 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.908 -3.532 3.158 1.00 0.00 H new ATOM 0 HG21 VAL A 67 0.343 -4.310 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.538 -3.838 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.840 -2.982 0.545 1.00 0.00 H new ATOM 990 N ASN A 68 -0.984 -2.290 3.948 1.00 0.00 N ATOM 991 CA ASN A 68 -1.219 -3.078 5.164 1.00 0.00 C ATOM 992 C ASN A 68 -0.102 -4.130 5.292 1.00 0.00 C ATOM 993 O ASN A 68 0.091 -4.912 4.360 1.00 0.00 O ATOM 994 CB ASN A 68 -2.596 -3.767 5.107 1.00 0.00 C ATOM 995 CG ASN A 68 -2.778 -4.810 6.212 1.00 0.00 C ATOM 996 OD1 ASN A 68 -2.579 -6.001 6.015 1.00 0.00 O ATOM 997 ND2 ASN A 68 -3.134 -4.406 7.410 1.00 0.00 N ATOM 0 H ASN A 68 -1.750 -2.332 3.276 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.210 -2.419 6.032 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.379 -3.013 5.191 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.718 -4.247 4.136 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -3.242 -5.083 8.165 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.302 -3.415 7.585 1.00 0.00 H new ATOM 1004 N PRO A 69 0.644 -4.172 6.405 1.00 0.00 N ATOM 1005 CA PRO A 69 1.821 -5.019 6.506 1.00 0.00 C ATOM 1006 C PRO A 69 1.437 -6.501 6.624 1.00 0.00 C ATOM 1007 O PRO A 69 1.076 -6.960 7.707 1.00 0.00 O ATOM 1008 CB PRO A 69 2.575 -4.481 7.722 1.00 0.00 C ATOM 1009 CG PRO A 69 1.471 -3.936 8.624 1.00 0.00 C ATOM 1010 CD PRO A 69 0.484 -3.364 7.609 1.00 0.00 C ATOM 0 HA PRO A 69 2.449 -4.985 5.616 1.00 0.00 H new ATOM 0 HB2 PRO A 69 3.146 -5.266 8.218 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.283 -3.701 7.441 1.00 0.00 H new ATOM 0 HG2 PRO A 69 1.020 -4.718 9.235 1.00 0.00 H new ATOM 0 HG3 PRO A 69 1.842 -3.172 9.307 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -0.538 -3.418 7.984 1.00 0.00 H new ATOM 0 HD3 PRO A 69 0.695 -2.314 7.407 1.00 0.00 H new ATOM 1018 N PHE A 70 1.511 -7.251 5.518 1.00 0.00 N ATOM 1019 CA PHE A 70 1.603 -8.713 5.513 1.00 0.00 C ATOM 1020 C PHE A 70 2.404 -9.222 4.298 1.00 0.00 C ATOM 1021 O PHE A 70 2.430 -8.596 3.240 1.00 0.00 O ATOM 1022 CB PHE A 70 0.218 -9.378 5.638 1.00 0.00 C ATOM 1023 CG PHE A 70 -0.649 -9.428 4.393 1.00 0.00 C ATOM 1024 CD1 PHE A 70 -1.180 -8.246 3.842 1.00 0.00 C ATOM 1025 CD2 PHE A 70 -0.976 -10.672 3.818 1.00 0.00 C ATOM 1026 CE1 PHE A 70 -2.019 -8.306 2.715 1.00 0.00 C ATOM 1027 CE2 PHE A 70 -1.828 -10.733 2.700 1.00 0.00 C ATOM 1028 CZ PHE A 70 -2.345 -9.549 2.145 1.00 0.00 C ATOM 0 H PHE A 70 1.508 -6.848 4.581 1.00 0.00 H new ATOM 0 HA PHE A 70 2.160 -9.011 6.401 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.366 -10.400 5.987 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.338 -8.853 6.415 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.942 -7.291 4.286 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.571 -11.582 4.237 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.413 -7.396 2.287 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.085 -11.689 2.268 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.992 -9.595 1.281 1.00 0.00 H new ATOM 1038 N VAL A 71 3.077 -10.363 4.471 1.00 0.00 N ATOM 1039 CA VAL A 71 3.842 -11.110 3.467 1.00 0.00 C ATOM 1040 C VAL A 71 2.850 -12.001 2.719 1.00 0.00 C ATOM 1041 O VAL A 71 2.577 -13.129 3.122 1.00 0.00 O ATOM 1042 CB VAL A 71 4.973 -11.948 4.119 1.00 0.00 C ATOM 1043 CG1 VAL A 71 5.899 -12.545 3.057 1.00 0.00 C ATOM 1044 CG2 VAL A 71 5.834 -11.120 5.080 1.00 0.00 C ATOM 0 H VAL A 71 3.104 -10.822 5.381 1.00 0.00 H new ATOM 0 HA VAL A 71 4.335 -10.424 2.779 1.00 0.00 H new ATOM 0 HB VAL A 71 4.472 -12.739 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 71 6.682 -13.127 3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.324 -13.192 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 71 6.352 -11.742 2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.611 -11.753 5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 71 6.296 -10.296 4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.208 -10.722 5.878 1.00 0.00 H new ATOM 1054 N SER A 72 2.253 -11.461 1.656 1.00 0.00 N ATOM 1055 CA SER A 72 1.111 -12.054 0.951 1.00 0.00 C ATOM 1056 C SER A 72 1.414 -13.311 0.117 1.00 0.00 C ATOM 1057 O SER A 72 0.490 -13.864 -0.476 1.00 0.00 O ATOM 1058 CB SER A 72 0.473 -10.970 0.073 1.00 0.00 C ATOM 1059 OG SER A 72 1.404 -10.461 -0.862 1.00 0.00 O ATOM 0 H SER A 72 2.557 -10.576 1.249 1.00 0.00 H new ATOM 0 HA SER A 72 0.430 -12.412 1.723 1.00 0.00 H new ATOM 0 HB2 SER A 72 -0.387 -11.383 -0.453 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.103 -10.160 0.701 1.00 0.00 H new ATOM 0 HG SER A 72 0.973 -9.773 -1.411 1.00 0.00 H new ATOM 1065 N VAL A 73 2.675 -13.758 0.027 1.00 0.00 N ATOM 1066 CA VAL A 73 3.100 -14.895 -0.809 1.00 0.00 C ATOM 1067 C VAL A 73 4.393 -15.537 -0.296 1.00 0.00 C ATOM 1068 O VAL A 73 5.212 -14.875 0.332 1.00 0.00 O ATOM 1069 CB VAL A 73 3.327 -14.480 -2.289 1.00 0.00 C ATOM 1070 CG1 VAL A 73 2.305 -15.173 -3.195 1.00 0.00 C ATOM 1071 CG2 VAL A 73 3.319 -12.974 -2.600 1.00 0.00 C ATOM 0 H VAL A 73 3.445 -13.332 0.543 1.00 0.00 H new ATOM 0 HA VAL A 73 2.284 -15.615 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 73 4.349 -14.804 -2.487 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.474 -14.874 -4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 73 2.415 -16.254 -3.107 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.298 -14.885 -2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.488 -12.822 -3.666 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.354 -12.550 -2.322 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.109 -12.481 -2.033 1.00 0.00 H new ATOM 1081 N ALA A 74 4.633 -16.803 -0.664 1.00 0.00 N ATOM 1082 CA ALA A 74 5.938 -17.457 -0.515 1.00 0.00 C ATOM 1083 C ALA A 74 6.986 -16.909 -1.506 1.00 0.00 C ATOM 1084 O ALA A 74 8.176 -16.888 -1.202 1.00 0.00 O ATOM 1085 CB ALA A 74 5.753 -18.967 -0.708 1.00 0.00 C ATOM 0 H ALA A 74 3.921 -17.406 -1.076 1.00 0.00 H new ATOM 0 HA ALA A 74 6.318 -17.246 0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.715 -19.468 -0.600 1.00 0.00 H new ATOM 0 HB2 ALA A 74 5.060 -19.347 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.353 -19.160 -1.703 1.00 0.00 H new ATOM 1091 N THR A 75 6.536 -16.408 -2.667 1.00 0.00 N ATOM 1092 CA THR A 75 7.344 -15.735 -3.695 1.00 0.00 C ATOM 1093 C THR A 75 7.757 -14.302 -3.316 1.00 0.00 C ATOM 1094 O THR A 75 8.386 -13.611 -4.115 1.00 0.00 O ATOM 1095 CB THR A 75 6.615 -15.719 -5.049 1.00 0.00 C ATOM 1096 OG1 THR A 75 5.340 -15.137 -4.918 1.00 0.00 O ATOM 1097 CG2 THR A 75 6.419 -17.121 -5.624 1.00 0.00 C ATOM 0 H THR A 75 5.551 -16.464 -2.927 1.00 0.00 H new ATOM 0 HA THR A 75 8.259 -16.322 -3.774 1.00 0.00 H new ATOM 0 HB THR A 75 7.246 -15.139 -5.722 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.891 -15.133 -5.789 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.900 -17.053 -6.580 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.390 -17.593 -5.772 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.827 -17.719 -4.931 1.00 0.00 H new ATOM 1105 N ALA A 76 7.452 -13.837 -2.097 1.00 0.00 N ATOM 1106 CA ALA A 76 7.805 -12.520 -1.557 1.00 0.00 C ATOM 1107 C ALA A 76 9.320 -12.287 -1.332 1.00 0.00 C ATOM 1108 O ALA A 76 9.693 -11.390 -0.578 1.00 0.00 O ATOM 1109 CB ALA A 76 7.013 -12.329 -0.258 1.00 0.00 C ATOM 0 H ALA A 76 6.926 -14.399 -1.428 1.00 0.00 H new ATOM 0 HA ALA A 76 7.540 -11.773 -2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.251 -11.357 0.174 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.945 -12.380 -0.472 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.279 -13.115 0.449 1.00 0.00 H new ATOM 1115 N ASN A 77 10.201 -13.061 -1.980 1.00 0.00 N ATOM 1116 CA ASN A 77 11.666 -13.135 -1.826 1.00 0.00 C ATOM 1117 C ASN A 77 12.411 -11.875 -2.340 1.00 0.00 C ATOM 1118 O ASN A 77 13.540 -11.950 -2.822 1.00 0.00 O ATOM 1119 CB ASN A 77 12.177 -14.433 -2.504 1.00 0.00 C ATOM 1120 CG ASN A 77 11.168 -15.576 -2.489 1.00 0.00 C ATOM 1121 OD1 ASN A 77 10.551 -15.867 -3.498 1.00 0.00 O ATOM 1122 ND2 ASN A 77 10.898 -16.184 -1.354 1.00 0.00 N ATOM 0 H ASN A 77 9.878 -13.714 -2.694 1.00 0.00 H new ATOM 0 HA ASN A 77 11.890 -13.166 -0.760 1.00 0.00 H new ATOM 0 HB2 ASN A 77 12.444 -14.211 -3.537 1.00 0.00 H new ATOM 0 HB3 ASN A 77 13.088 -14.759 -2.002 1.00 0.00 H new ATOM 0 HD21 ASN A 77 10.172 -16.899 -1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 77 11.415 -15.940 -0.509 1.00 0.00 H new ATOM 1129 N ALA A 78 11.740 -10.721 -2.322 1.00 0.00 N ATOM 1130 CA ALA A 78 12.118 -9.492 -3.001 1.00 0.00 C ATOM 1131 C ALA A 78 13.152 -8.648 -2.236 1.00 0.00 C ATOM 1132 O ALA A 78 13.401 -8.833 -1.043 1.00 0.00 O ATOM 1133 CB ALA A 78 10.830 -8.686 -3.234 1.00 0.00 C ATOM 0 H ALA A 78 10.869 -10.620 -1.801 1.00 0.00 H new ATOM 0 HA ALA A 78 12.609 -9.755 -3.938 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.072 -7.753 -3.743 1.00 0.00 H new ATOM 0 HB2 ALA A 78 10.143 -9.268 -3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.361 -8.465 -2.275 1.00 0.00 H new ATOM 1139 N LYS A 79 13.677 -7.642 -2.945 1.00 0.00 N ATOM 1140 CA LYS A 79 14.417 -6.483 -2.446 1.00 0.00 C ATOM 1141 C LYS A 79 13.526 -5.267 -2.706 1.00 0.00 C ATOM 1142 O LYS A 79 13.268 -4.950 -3.866 1.00 0.00 O ATOM 1143 CB LYS A 79 15.784 -6.445 -3.153 1.00 0.00 C ATOM 1144 CG LYS A 79 16.682 -5.261 -2.764 1.00 0.00 C ATOM 1145 CD LYS A 79 16.483 -4.016 -3.644 1.00 0.00 C ATOM 1146 CE LYS A 79 17.575 -2.989 -3.330 1.00 0.00 C ATOM 1147 NZ LYS A 79 17.256 -1.661 -3.896 1.00 0.00 N ATOM 0 H LYS A 79 13.587 -7.618 -3.961 1.00 0.00 H new ATOM 0 HA LYS A 79 14.637 -6.513 -1.379 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.315 -7.372 -2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.619 -6.418 -4.230 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.487 -4.995 -1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 79 17.725 -5.573 -2.823 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.521 -4.292 -4.698 1.00 0.00 H new ATOM 0 HD3 LYS A 79 15.499 -3.583 -3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 79 17.696 -2.905 -2.250 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.527 -3.336 -3.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 17.795 -0.930 -3.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.510 -1.643 -4.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 16.238 -1.475 -3.792 1.00 0.00 H new ATOM 1161 N VAL A 80 12.957 -4.682 -1.647 1.00 0.00 N ATOM 1162 CA VAL A 80 11.746 -3.852 -1.742 1.00 0.00 C ATOM 1163 C VAL A 80 11.785 -2.630 -0.818 1.00 0.00 C ATOM 1164 O VAL A 80 11.954 -2.741 0.400 1.00 0.00 O ATOM 1165 CB VAL A 80 10.479 -4.716 -1.541 1.00 0.00 C ATOM 1166 CG1 VAL A 80 10.436 -5.495 -0.216 1.00 0.00 C ATOM 1167 CG2 VAL A 80 9.200 -3.882 -1.684 1.00 0.00 C ATOM 0 H VAL A 80 13.321 -4.769 -0.698 1.00 0.00 H new ATOM 0 HA VAL A 80 11.709 -3.440 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 80 10.532 -5.459 -2.337 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.513 -6.072 -0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 80 11.289 -6.171 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.475 -4.795 0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 80 8.330 -4.522 -1.537 1.00 0.00 H new ATOM 0 HG22 VAL A 80 9.198 -3.088 -0.937 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.162 -3.442 -2.681 1.00 0.00 H new ATOM 1177 N LEU A 81 11.626 -1.452 -1.436 1.00 0.00 N ATOM 1178 CA LEU A 81 11.406 -0.168 -0.776 1.00 0.00 C ATOM 1179 C LEU A 81 9.968 -0.073 -0.244 1.00 0.00 C ATOM 1180 O LEU A 81 9.013 -0.397 -0.949 1.00 0.00 O ATOM 1181 CB LEU A 81 11.694 0.981 -1.774 1.00 0.00 C ATOM 1182 CG LEU A 81 12.966 1.779 -1.443 1.00 0.00 C ATOM 1183 CD1 LEU A 81 13.277 2.781 -2.556 1.00 0.00 C ATOM 1184 CD2 LEU A 81 12.808 2.558 -0.137 1.00 0.00 C ATOM 0 H LEU A 81 11.649 -1.370 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 81 12.084 -0.082 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.787 0.565 -2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.842 1.661 -1.788 1.00 0.00 H new ATOM 0 HG LEU A 81 13.778 1.058 -1.344 1.00 0.00 H new ATOM 0 HD11 LEU A 81 14.180 3.336 -2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.429 2.247 -3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.443 3.475 -2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.724 3.112 0.069 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.975 3.255 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.612 1.863 0.680 1.00 0.00 H new ATOM 1196 N ILE A 82 9.826 0.403 0.994 1.00 0.00 N ATOM 1197 CA ILE A 82 8.568 0.572 1.723 1.00 0.00 C ATOM 1198 C ILE A 82 8.566 1.976 2.344 1.00 0.00 C ATOM 1199 O ILE A 82 9.567 2.405 2.918 1.00 0.00 O ATOM 1200 CB ILE A 82 8.444 -0.548 2.791 1.00 0.00 C ATOM 1201 CG1 ILE A 82 8.275 -1.936 2.123 1.00 0.00 C ATOM 1202 CG2 ILE A 82 7.272 -0.285 3.754 1.00 0.00 C ATOM 1203 CD1 ILE A 82 8.455 -3.124 3.079 1.00 0.00 C ATOM 0 H ILE A 82 10.632 0.698 1.546 1.00 0.00 H new ATOM 0 HA ILE A 82 7.704 0.486 1.063 1.00 0.00 H new ATOM 0 HB ILE A 82 9.369 -0.544 3.368 1.00 0.00 H new ATOM 0 HG12 ILE A 82 7.283 -1.992 1.675 1.00 0.00 H new ATOM 0 HG13 ILE A 82 8.997 -2.026 1.311 1.00 0.00 H new ATOM 0 HG21 ILE A 82 7.216 -1.089 4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 82 7.429 0.664 4.267 1.00 0.00 H new ATOM 0 HG23 ILE A 82 6.340 -0.243 3.190 1.00 0.00 H new ATOM 0 HD11 ILE A 82 8.320 -4.056 2.530 1.00 0.00 H new ATOM 0 HD12 ILE A 82 9.457 -3.097 3.508 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.716 -3.063 3.878 1.00 0.00 H new ATOM 1215 N GLU A 83 7.442 2.692 2.261 1.00 0.00 N ATOM 1216 CA GLU A 83 7.219 3.917 3.025 1.00 0.00 C ATOM 1217 C GLU A 83 6.481 3.644 4.342 1.00 0.00 C ATOM 1218 O GLU A 83 5.482 2.915 4.377 1.00 0.00 O ATOM 1219 CB GLU A 83 6.450 4.976 2.224 1.00 0.00 C ATOM 1220 CG GLU A 83 7.330 5.741 1.233 1.00 0.00 C ATOM 1221 CD GLU A 83 6.599 6.997 0.742 1.00 0.00 C ATOM 1222 OE1 GLU A 83 6.455 7.935 1.566 1.00 0.00 O ATOM 1223 OE2 GLU A 83 6.188 7.007 -0.436 1.00 0.00 O ATOM 0 H GLU A 83 6.659 2.436 1.659 1.00 0.00 H new ATOM 0 HA GLU A 83 8.212 4.308 3.248 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.638 4.492 1.681 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.993 5.684 2.915 1.00 0.00 H new ATOM 0 HG2 GLU A 83 8.270 6.020 1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.579 5.101 0.386 1.00 0.00 H new ATOM 1230 N LEU A 84 6.942 4.318 5.404 1.00 0.00 N ATOM 1231 CA LEU A 84 6.291 4.464 6.712 1.00 0.00 C ATOM 1232 C LEU A 84 6.101 5.953 7.043 1.00 0.00 C ATOM 1233 O LEU A 84 6.786 6.801 6.483 1.00 0.00 O ATOM 1234 CB LEU A 84 7.162 3.800 7.801 1.00 0.00 C ATOM 1235 CG LEU A 84 6.780 2.348 8.122 1.00 0.00 C ATOM 1236 CD1 LEU A 84 7.075 1.372 6.983 1.00 0.00 C ATOM 1237 CD2 LEU A 84 7.547 1.876 9.349 1.00 0.00 C ATOM 0 H LEU A 84 7.837 4.807 5.370 1.00 0.00 H new ATOM 0 HA LEU A 84 5.315 3.979 6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.204 3.826 7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 84 7.093 4.391 8.714 1.00 0.00 H new ATOM 0 HG LEU A 84 5.703 2.351 8.291 1.00 0.00 H new ATOM 0 HD11 LEU A 84 6.780 0.366 7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.514 1.667 6.096 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.142 1.386 6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.274 0.845 9.575 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.618 1.933 9.153 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.299 2.511 10.199 1.00 0.00 H new ATOM 1249 N GLU A 85 5.235 6.277 8.008 1.00 0.00 N ATOM 1250 CA GLU A 85 5.122 7.609 8.611 1.00 0.00 C ATOM 1251 C GLU A 85 5.766 7.589 10.010 1.00 0.00 C ATOM 1252 O GLU A 85 5.136 7.089 10.949 1.00 0.00 O ATOM 1253 CB GLU A 85 3.651 8.063 8.683 1.00 0.00 C ATOM 1254 CG GLU A 85 3.544 9.544 9.094 1.00 0.00 C ATOM 1255 CD GLU A 85 2.192 9.877 9.738 1.00 0.00 C ATOM 1256 OE1 GLU A 85 1.178 9.962 9.006 1.00 0.00 O ATOM 1257 OE2 GLU A 85 2.159 10.025 10.982 1.00 0.00 O ATOM 0 H GLU A 85 4.577 5.604 8.401 1.00 0.00 H new ATOM 0 HA GLU A 85 5.650 8.329 7.986 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.175 7.917 7.714 1.00 0.00 H new ATOM 0 HB3 GLU A 85 3.111 7.444 9.400 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.345 9.783 9.794 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.690 10.173 8.216 1.00 0.00 H new ATOM 1264 N PRO A 86 7.003 8.087 10.192 1.00 0.00 N ATOM 1265 CA PRO A 86 7.518 8.460 11.501 1.00 0.00 C ATOM 1266 C PRO A 86 6.874 9.779 11.963 1.00 0.00 C ATOM 1267 O PRO A 86 6.943 10.765 11.216 1.00 0.00 O ATOM 1268 CB PRO A 86 9.028 8.643 11.342 1.00 0.00 C ATOM 1269 CG PRO A 86 9.269 8.772 9.844 1.00 0.00 C ATOM 1270 CD PRO A 86 7.930 8.504 9.159 1.00 0.00 C ATOM 0 HA PRO A 86 7.290 7.697 12.246 1.00 0.00 H new ATOM 0 HB2 PRO A 86 9.373 9.530 11.872 1.00 0.00 H new ATOM 0 HB3 PRO A 86 9.572 7.793 11.755 1.00 0.00 H new ATOM 0 HG2 PRO A 86 9.638 9.767 9.596 1.00 0.00 H new ATOM 0 HG3 PRO A 86 10.024 8.060 9.511 1.00 0.00 H new ATOM 0 HD2 PRO A 86 7.568 9.400 8.655 1.00 0.00 H new ATOM 0 HD3 PRO A 86 8.034 7.730 8.398 1.00 0.00 H new ATOM 1278 N PRO A 87 6.315 9.852 13.189 1.00 0.00 N ATOM 1279 CA PRO A 87 5.969 11.124 13.822 1.00 0.00 C ATOM 1280 C PRO A 87 7.194 12.040 14.014 1.00 0.00 C ATOM 1281 O PRO A 87 8.339 11.668 13.747 1.00 0.00 O ATOM 1282 CB PRO A 87 5.280 10.754 15.145 1.00 0.00 C ATOM 1283 CG PRO A 87 5.830 9.367 15.460 1.00 0.00 C ATOM 1284 CD PRO A 87 5.966 8.747 14.075 1.00 0.00 C ATOM 0 HA PRO A 87 5.304 11.714 13.191 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.517 11.468 15.934 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.195 10.741 15.042 1.00 0.00 H new ATOM 0 HG2 PRO A 87 6.788 9.418 15.978 1.00 0.00 H new ATOM 0 HG3 PRO A 87 5.153 8.796 16.096 1.00 0.00 H new ATOM 0 HD2 PRO A 87 6.736 7.976 14.064 1.00 0.00 H new ATOM 0 HD3 PRO A 87 5.035 8.273 13.764 1.00 0.00 H new ATOM 1292 N PHE A 88 6.936 13.280 14.438 1.00 0.00 N ATOM 1293 CA PHE A 88 7.937 14.343 14.525 1.00 0.00 C ATOM 1294 C PHE A 88 8.471 14.530 15.954 1.00 0.00 C ATOM 1295 O PHE A 88 7.920 14.006 16.922 1.00 0.00 O ATOM 1296 CB PHE A 88 7.355 15.633 13.923 1.00 0.00 C ATOM 1297 CG PHE A 88 7.335 15.651 12.401 1.00 0.00 C ATOM 1298 CD1 PHE A 88 6.426 14.851 11.677 1.00 0.00 C ATOM 1299 CD2 PHE A 88 8.228 16.487 11.701 1.00 0.00 C ATOM 1300 CE1 PHE A 88 6.408 14.887 10.271 1.00 0.00 C ATOM 1301 CE2 PHE A 88 8.200 16.535 10.295 1.00 0.00 C ATOM 1302 CZ PHE A 88 7.291 15.736 9.579 1.00 0.00 C ATOM 0 H PHE A 88 6.007 13.577 14.736 1.00 0.00 H new ATOM 0 HA PHE A 88 8.811 14.057 13.940 1.00 0.00 H new ATOM 0 HB2 PHE A 88 6.338 15.767 14.291 1.00 0.00 H new ATOM 0 HB3 PHE A 88 7.937 16.483 14.279 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.739 14.207 12.206 1.00 0.00 H new ATOM 0 HD2 PHE A 88 8.937 17.093 12.246 1.00 0.00 H new ATOM 0 HE1 PHE A 88 5.717 14.263 9.723 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.878 17.187 9.765 1.00 0.00 H new ATOM 0 HZ PHE A 88 7.271 15.774 8.500 1.00 0.00 H new ATOM 1312 N GLY A 89 9.579 15.267 16.073 1.00 0.00 N ATOM 1313 CA GLY A 89 10.427 15.297 17.257 1.00 0.00 C ATOM 1314 C GLY A 89 11.361 14.091 17.244 1.00 0.00 C ATOM 1315 O GLY A 89 12.416 14.140 16.612 1.00 0.00 O ATOM 0 H GLY A 89 9.916 15.874 15.325 1.00 0.00 H new ATOM 0 HA2 GLY A 89 11.007 16.220 17.279 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.813 15.285 18.158 1.00 0.00 H new ATOM 1319 N ASP A 90 10.935 12.990 17.865 1.00 0.00 N ATOM 1320 CA ASP A 90 11.573 11.677 17.759 1.00 0.00 C ATOM 1321 C ASP A 90 10.593 10.655 17.179 1.00 0.00 C ATOM 1322 O ASP A 90 9.377 10.753 17.350 1.00 0.00 O ATOM 1323 CB ASP A 90 12.058 11.186 19.135 1.00 0.00 C ATOM 1324 CG ASP A 90 13.304 11.914 19.628 1.00 0.00 C ATOM 1325 OD1 ASP A 90 14.264 12.065 18.834 1.00 0.00 O ATOM 1326 OD2 ASP A 90 13.335 12.317 20.813 1.00 0.00 O ATOM 0 H ASP A 90 10.115 12.987 18.472 1.00 0.00 H new ATOM 0 HA ASP A 90 12.432 11.778 17.096 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.257 11.316 19.863 1.00 0.00 H new ATOM 0 HB3 ASP A 90 12.267 10.118 19.079 1.00 0.00 H new ATOM 1331 N SER A 91 11.149 9.624 16.543 1.00 0.00 N ATOM 1332 CA SER A 91 10.420 8.422 16.178 1.00 0.00 C ATOM 1333 C SER A 91 11.308 7.186 16.285 1.00 0.00 C ATOM 1334 O SER A 91 12.534 7.267 16.221 1.00 0.00 O ATOM 1335 CB SER A 91 9.829 8.584 14.775 1.00 0.00 C ATOM 1336 OG SER A 91 9.078 7.446 14.408 1.00 0.00 O ATOM 0 H SER A 91 12.130 9.605 16.266 1.00 0.00 H new ATOM 0 HA SER A 91 9.598 8.277 16.879 1.00 0.00 H new ATOM 0 HB2 SER A 91 9.193 9.469 14.744 1.00 0.00 H new ATOM 0 HB3 SER A 91 10.631 8.743 14.055 1.00 0.00 H new ATOM 0 HG SER A 91 8.712 7.022 15.212 1.00 0.00 H new ATOM 1342 N TYR A 92 10.667 6.025 16.415 1.00 0.00 N ATOM 1343 CA TYR A 92 11.291 4.727 16.222 1.00 0.00 C ATOM 1344 C TYR A 92 10.422 3.898 15.280 1.00 0.00 C ATOM 1345 O TYR A 92 9.192 3.987 15.287 1.00 0.00 O ATOM 1346 CB TYR A 92 11.530 4.023 17.563 1.00 0.00 C ATOM 1347 CG TYR A 92 12.552 4.703 18.458 1.00 0.00 C ATOM 1348 CD1 TYR A 92 12.206 5.865 19.178 1.00 0.00 C ATOM 1349 CD2 TYR A 92 13.857 4.180 18.555 1.00 0.00 C ATOM 1350 CE1 TYR A 92 13.161 6.519 19.978 1.00 0.00 C ATOM 1351 CE2 TYR A 92 14.812 4.822 19.366 1.00 0.00 C ATOM 1352 CZ TYR A 92 14.469 5.996 20.070 1.00 0.00 C ATOM 1353 OH TYR A 92 15.407 6.626 20.829 1.00 0.00 O ATOM 0 H TYR A 92 9.679 5.965 16.663 1.00 0.00 H new ATOM 0 HA TYR A 92 12.273 4.854 15.767 1.00 0.00 H new ATOM 0 HB2 TYR A 92 10.583 3.958 18.099 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.858 3.002 17.369 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.201 6.256 19.115 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.124 3.288 18.008 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.895 7.416 20.518 1.00 0.00 H new ATOM 0 HE2 TYR A 92 15.809 4.415 19.450 1.00 0.00 H new ATOM 0 HH TYR A 92 16.252 6.132 20.782 1.00 0.00 H new ATOM 1363 N ILE A 93 11.094 3.085 14.476 1.00 0.00 N ATOM 1364 CA ILE A 93 10.531 2.233 13.441 1.00 0.00 C ATOM 1365 C ILE A 93 10.844 0.799 13.853 1.00 0.00 C ATOM 1366 O ILE A 93 12.015 0.432 13.946 1.00 0.00 O ATOM 1367 CB ILE A 93 11.140 2.597 12.072 1.00 0.00 C ATOM 1368 CG1 ILE A 93 10.904 4.069 11.648 1.00 0.00 C ATOM 1369 CG2 ILE A 93 10.618 1.610 11.023 1.00 0.00 C ATOM 1370 CD1 ILE A 93 9.454 4.448 11.325 1.00 0.00 C ATOM 0 H ILE A 93 12.109 2.999 14.534 1.00 0.00 H new ATOM 0 HA ILE A 93 9.454 2.362 13.338 1.00 0.00 H new ATOM 0 HB ILE A 93 12.223 2.512 12.158 1.00 0.00 H new ATOM 0 HG12 ILE A 93 11.260 4.719 12.448 1.00 0.00 H new ATOM 0 HG13 ILE A 93 11.518 4.277 10.772 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.041 1.856 10.049 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.910 0.597 11.300 1.00 0.00 H new ATOM 0 HG23 ILE A 93 9.531 1.674 10.973 1.00 0.00 H new ATOM 0 HD11 ILE A 93 9.407 5.499 11.041 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.092 3.833 10.501 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.830 4.281 12.203 1.00 0.00 H new ATOM 1382 N VAL A 94 9.816 0.013 14.171 1.00 0.00 N ATOM 1383 CA VAL A 94 9.968 -1.277 14.856 1.00 0.00 C ATOM 1384 C VAL A 94 9.585 -2.400 13.898 1.00 0.00 C ATOM 1385 O VAL A 94 8.589 -2.291 13.183 1.00 0.00 O ATOM 1386 CB VAL A 94 9.148 -1.302 16.164 1.00 0.00 C ATOM 1387 CG1 VAL A 94 9.393 -2.603 16.944 1.00 0.00 C ATOM 1388 CG2 VAL A 94 9.526 -0.125 17.080 1.00 0.00 C ATOM 0 H VAL A 94 8.847 0.252 13.961 1.00 0.00 H new ATOM 0 HA VAL A 94 11.008 -1.425 15.147 1.00 0.00 H new ATOM 0 HB VAL A 94 8.099 -1.229 15.877 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.803 -2.594 17.861 1.00 0.00 H new ATOM 0 HG12 VAL A 94 9.099 -3.455 16.332 1.00 0.00 H new ATOM 0 HG13 VAL A 94 10.451 -2.684 17.194 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.932 -0.169 17.993 1.00 0.00 H new ATOM 0 HG22 VAL A 94 10.585 -0.186 17.332 1.00 0.00 H new ATOM 0 HG23 VAL A 94 9.329 0.815 16.564 1.00 0.00 H new ATOM 1398 N VAL A 95 10.398 -3.461 13.856 1.00 0.00 N ATOM 1399 CA VAL A 95 10.275 -4.581 12.916 1.00 0.00 C ATOM 1400 C VAL A 95 10.432 -5.880 13.704 1.00 0.00 C ATOM 1401 O VAL A 95 11.560 -6.297 13.957 1.00 0.00 O ATOM 1402 CB VAL A 95 11.335 -4.473 11.790 1.00 0.00 C ATOM 1403 CG1 VAL A 95 11.206 -5.626 10.783 1.00 0.00 C ATOM 1404 CG2 VAL A 95 11.229 -3.159 11.002 1.00 0.00 C ATOM 0 H VAL A 95 11.185 -3.567 14.496 1.00 0.00 H new ATOM 0 HA VAL A 95 9.298 -4.561 12.433 1.00 0.00 H new ATOM 0 HB VAL A 95 12.298 -4.514 12.299 1.00 0.00 H new ATOM 0 HG11 VAL A 95 11.964 -5.518 10.008 1.00 0.00 H new ATOM 0 HG12 VAL A 95 11.346 -6.576 11.298 1.00 0.00 H new ATOM 0 HG13 VAL A 95 10.216 -5.602 10.328 1.00 0.00 H new ATOM 0 HG21 VAL A 95 11.995 -3.137 10.227 1.00 0.00 H new ATOM 0 HG22 VAL A 95 10.244 -3.090 10.541 1.00 0.00 H new ATOM 0 HG23 VAL A 95 11.373 -2.316 11.678 1.00 0.00 H new ATOM 1414 N GLY A 96 9.340 -6.526 14.126 1.00 0.00 N ATOM 1415 CA GLY A 96 9.455 -7.818 14.804 1.00 0.00 C ATOM 1416 C GLY A 96 8.301 -8.262 15.696 1.00 0.00 C ATOM 1417 O GLY A 96 7.374 -7.516 15.996 1.00 0.00 O ATOM 0 H GLY A 96 8.386 -6.183 14.013 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.602 -8.583 14.042 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.359 -7.797 15.413 1.00 0.00 H new ATOM 1421 N ARG A 97 8.410 -9.520 16.132 1.00 0.00 N ATOM 1422 CA ARG A 97 7.490 -10.245 17.014 1.00 0.00 C ATOM 1423 C ARG A 97 8.305 -11.018 18.055 1.00 0.00 C ATOM 1424 O ARG A 97 9.042 -11.931 17.696 1.00 0.00 O ATOM 1425 CB ARG A 97 6.561 -11.188 16.217 1.00 0.00 C ATOM 1426 CG ARG A 97 7.276 -12.015 15.122 1.00 0.00 C ATOM 1427 CD ARG A 97 6.738 -13.434 14.927 1.00 0.00 C ATOM 1428 NE ARG A 97 6.883 -14.251 16.143 1.00 0.00 N ATOM 1429 CZ ARG A 97 5.921 -14.753 16.902 1.00 0.00 C ATOM 1430 NH1 ARG A 97 4.662 -14.801 16.516 1.00 0.00 N ATOM 1431 NH2 ARG A 97 6.224 -15.217 18.090 1.00 0.00 N ATOM 0 H ARG A 97 9.202 -10.102 15.858 1.00 0.00 H new ATOM 0 HA ARG A 97 6.844 -9.527 17.520 1.00 0.00 H new ATOM 0 HB2 ARG A 97 6.075 -11.872 16.912 1.00 0.00 H new ATOM 0 HB3 ARG A 97 5.774 -10.595 15.751 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.198 -11.480 14.175 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.336 -12.075 15.368 1.00 0.00 H new ATOM 0 HD2 ARG A 97 5.686 -13.387 14.645 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.268 -13.913 14.103 1.00 0.00 H new ATOM 0 HE ARG A 97 7.839 -14.455 16.436 1.00 0.00 H new ATOM 0 HH11 ARG A 97 4.396 -14.442 15.599 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.954 -15.197 17.134 1.00 0.00 H new ATOM 0 HH21 ARG A 97 7.189 -15.188 18.418 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.494 -15.607 18.687 1.00 0.00 H new ATOM 1445 N GLY A 98 8.175 -10.635 19.328 1.00 0.00 N ATOM 1446 CA GLY A 98 8.804 -11.270 20.492 1.00 0.00 C ATOM 1447 C GLY A 98 10.250 -11.730 20.272 1.00 0.00 C ATOM 1448 O GLY A 98 11.176 -10.933 20.373 1.00 0.00 O ATOM 0 H GLY A 98 7.600 -9.834 19.589 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.784 -10.568 21.326 1.00 0.00 H new ATOM 0 HA3 GLY A 98 8.205 -12.132 20.786 1.00 0.00 H new ATOM 1452 N GLU A 99 10.437 -13.021 19.978 1.00 0.00 N ATOM 1453 CA GLU A 99 11.738 -13.670 19.800 1.00 0.00 C ATOM 1454 C GLU A 99 12.528 -13.243 18.548 1.00 0.00 C ATOM 1455 O GLU A 99 13.725 -13.513 18.475 1.00 0.00 O ATOM 1456 CB GLU A 99 11.540 -15.199 19.833 1.00 0.00 C ATOM 1457 CG GLU A 99 10.944 -15.839 18.563 1.00 0.00 C ATOM 1458 CD GLU A 99 9.543 -15.345 18.167 1.00 0.00 C ATOM 1459 OE1 GLU A 99 8.723 -14.986 19.044 1.00 0.00 O ATOM 1460 OE2 GLU A 99 9.248 -15.331 16.951 1.00 0.00 O ATOM 0 H GLU A 99 9.657 -13.666 19.853 1.00 0.00 H new ATOM 0 HA GLU A 99 12.361 -13.334 20.629 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.506 -15.665 20.030 1.00 0.00 H new ATOM 0 HB3 GLU A 99 10.892 -15.442 20.675 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.624 -15.654 17.731 1.00 0.00 H new ATOM 0 HG3 GLU A 99 10.902 -16.919 18.707 1.00 0.00 H new ATOM 1467 N GLN A 100 11.891 -12.580 17.573 1.00 0.00 N ATOM 1468 CA GLN A 100 12.518 -12.117 16.329 1.00 0.00 C ATOM 1469 C GLN A 100 12.189 -10.631 16.104 1.00 0.00 C ATOM 1470 O GLN A 100 11.085 -10.295 15.671 1.00 0.00 O ATOM 1471 CB GLN A 100 12.153 -13.056 15.148 1.00 0.00 C ATOM 1472 CG GLN A 100 10.653 -13.118 14.811 1.00 0.00 C ATOM 1473 CD GLN A 100 10.234 -14.238 13.864 1.00 0.00 C ATOM 1474 OE1 GLN A 100 10.058 -14.049 12.668 1.00 0.00 O ATOM 1475 NE2 GLN A 100 9.947 -15.416 14.376 1.00 0.00 N ATOM 0 H GLN A 100 10.900 -12.345 17.630 1.00 0.00 H new ATOM 0 HA GLN A 100 13.604 -12.173 16.403 1.00 0.00 H new ATOM 0 HB2 GLN A 100 12.697 -12.729 14.262 1.00 0.00 H new ATOM 0 HB3 GLN A 100 12.500 -14.062 15.382 1.00 0.00 H new ATOM 0 HG2 GLN A 100 10.095 -13.225 15.741 1.00 0.00 H new ATOM 0 HG3 GLN A 100 10.359 -12.165 14.371 1.00 0.00 H new ATOM 0 HE21 GLN A 100 10.089 -15.588 15.371 1.00 0.00 H new ATOM 0 HE22 GLN A 100 9.583 -16.157 13.777 1.00 0.00 H new ATOM 1484 N GLN A 101 13.118 -9.723 16.446 1.00 0.00 N ATOM 1485 CA GLN A 101 12.902 -8.285 16.248 1.00 0.00 C ATOM 1486 C GLN A 101 14.161 -7.457 15.952 1.00 0.00 C ATOM 1487 O GLN A 101 15.281 -7.834 16.287 1.00 0.00 O ATOM 1488 CB GLN A 101 12.112 -7.693 17.437 1.00 0.00 C ATOM 1489 CG GLN A 101 12.901 -7.621 18.759 1.00 0.00 C ATOM 1490 CD GLN A 101 12.093 -7.062 19.934 1.00 0.00 C ATOM 1491 OE1 GLN A 101 12.290 -7.433 21.079 1.00 0.00 O ATOM 1492 NE2 GLN A 101 11.187 -6.124 19.725 1.00 0.00 N ATOM 0 H GLN A 101 14.020 -9.960 16.859 1.00 0.00 H new ATOM 0 HA GLN A 101 12.315 -8.211 15.332 1.00 0.00 H new ATOM 0 HB2 GLN A 101 11.780 -6.689 17.172 1.00 0.00 H new ATOM 0 HB3 GLN A 101 11.216 -8.293 17.596 1.00 0.00 H new ATOM 0 HG2 GLN A 101 13.253 -8.620 19.016 1.00 0.00 H new ATOM 0 HG3 GLN A 101 13.784 -7.000 18.610 1.00 0.00 H new ATOM 0 HE21 GLN A 101 11.002 -5.795 18.777 1.00 0.00 H new ATOM 0 HE22 GLN A 101 10.672 -5.728 20.511 1.00 0.00 H new ATOM 1501 N ILE A 102 13.915 -6.285 15.359 1.00 0.00 N ATOM 1502 CA ILE A 102 14.822 -5.179 15.054 1.00 0.00 C ATOM 1503 C ILE A 102 14.079 -3.854 15.313 1.00 0.00 C ATOM 1504 O ILE A 102 12.847 -3.814 15.379 1.00 0.00 O ATOM 1505 CB ILE A 102 15.325 -5.203 13.576 1.00 0.00 C ATOM 1506 CG1 ILE A 102 14.973 -6.465 12.746 1.00 0.00 C ATOM 1507 CG2 ILE A 102 16.846 -4.962 13.585 1.00 0.00 C ATOM 1508 CD1 ILE A 102 15.248 -6.316 11.242 1.00 0.00 C ATOM 0 H ILE A 102 12.969 -6.066 15.047 1.00 0.00 H new ATOM 0 HA ILE A 102 15.699 -5.278 15.694 1.00 0.00 H new ATOM 0 HB ILE A 102 14.783 -4.410 13.060 1.00 0.00 H new ATOM 0 HG12 ILE A 102 15.545 -7.311 13.128 1.00 0.00 H new ATOM 0 HG13 ILE A 102 13.919 -6.701 12.891 1.00 0.00 H new ATOM 0 HG21 ILE A 102 17.222 -4.974 12.562 1.00 0.00 H new ATOM 0 HG22 ILE A 102 17.058 -3.994 14.038 1.00 0.00 H new ATOM 0 HG23 ILE A 102 17.335 -5.747 14.161 1.00 0.00 H new ATOM 0 HD11 ILE A 102 14.977 -7.239 10.729 1.00 0.00 H new ATOM 0 HD12 ILE A 102 14.656 -5.492 10.844 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.307 -6.111 11.084 1.00 0.00 H new ATOM 1520 N ASN A 103 14.821 -2.747 15.376 1.00 0.00 N ATOM 1521 CA ASN A 103 14.262 -1.408 15.214 1.00 0.00 C ATOM 1522 C ASN A 103 15.252 -0.486 14.486 1.00 0.00 C ATOM 1523 O ASN A 103 16.421 -0.831 14.308 1.00 0.00 O ATOM 1524 CB ASN A 103 13.820 -0.835 16.580 1.00 0.00 C ATOM 1525 CG ASN A 103 14.973 -0.334 17.438 1.00 0.00 C ATOM 1526 OD1 ASN A 103 15.279 0.847 17.467 1.00 0.00 O ATOM 1527 ND2 ASN A 103 15.639 -1.208 18.166 1.00 0.00 N ATOM 0 H ASN A 103 15.828 -2.756 15.541 1.00 0.00 H new ATOM 0 HA ASN A 103 13.372 -1.473 14.589 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.122 -0.015 16.411 1.00 0.00 H new ATOM 0 HB3 ASN A 103 13.279 -1.606 17.129 1.00 0.00 H new ATOM 0 HD21 ASN A 103 16.412 -0.898 18.755 1.00 0.00 H new ATOM 0 HD22 ASN A 103 15.382 -2.195 18.140 1.00 0.00 H new ATOM 1534 N HIS A 104 14.773 0.699 14.115 1.00 0.00 N ATOM 1535 CA HIS A 104 15.567 1.867 13.753 1.00 0.00 C ATOM 1536 C HIS A 104 15.001 3.091 14.489 1.00 0.00 C ATOM 1537 O HIS A 104 13.846 3.094 14.920 1.00 0.00 O ATOM 1538 CB HIS A 104 15.541 2.050 12.226 1.00 0.00 C ATOM 1539 CG HIS A 104 16.720 2.810 11.660 1.00 0.00 C ATOM 1540 ND1 HIS A 104 16.945 4.173 11.705 1.00 0.00 N ATOM 1541 CD2 HIS A 104 17.747 2.249 10.949 1.00 0.00 C ATOM 1542 CE1 HIS A 104 18.088 4.415 11.040 1.00 0.00 C ATOM 1543 NE2 HIS A 104 18.605 3.276 10.556 1.00 0.00 N ATOM 0 H HIS A 104 13.771 0.878 14.056 1.00 0.00 H new ATOM 0 HA HIS A 104 16.608 1.739 14.050 1.00 0.00 H new ATOM 0 HB2 HIS A 104 15.501 1.067 11.757 1.00 0.00 H new ATOM 0 HB3 HIS A 104 14.624 2.572 11.952 1.00 0.00 H new ATOM 0 HD1 HIS A 104 16.352 4.868 12.159 1.00 0.00 H new ATOM 0 HD2 HIS A 104 17.871 1.198 10.731 1.00 0.00 H new ATOM 0 HE1 HIS A 104 18.529 5.392 10.913 1.00 0.00 H new ATOM 1551 N HIS A 105 15.796 4.154 14.586 1.00 0.00 N ATOM 1552 CA HIS A 105 15.424 5.435 15.186 1.00 0.00 C ATOM 1553 C HIS A 105 15.318 6.525 14.107 1.00 0.00 C ATOM 1554 O HIS A 105 15.887 6.380 13.021 1.00 0.00 O ATOM 1555 CB HIS A 105 16.457 5.783 16.272 1.00 0.00 C ATOM 1556 CG HIS A 105 17.881 5.907 15.775 1.00 0.00 C ATOM 1557 ND1 HIS A 105 18.595 7.076 15.666 1.00 0.00 N ATOM 1558 CD2 HIS A 105 18.713 4.883 15.398 1.00 0.00 C ATOM 1559 CE1 HIS A 105 19.819 6.768 15.203 1.00 0.00 C ATOM 1560 NE2 HIS A 105 19.932 5.445 15.019 1.00 0.00 N ATOM 0 H HIS A 105 16.754 4.147 14.236 1.00 0.00 H new ATOM 0 HA HIS A 105 14.441 5.367 15.652 1.00 0.00 H new ATOM 0 HB2 HIS A 105 16.167 6.723 16.741 1.00 0.00 H new ATOM 0 HB3 HIS A 105 16.422 5.016 17.046 1.00 0.00 H new ATOM 0 HD1 HIS A 105 18.257 8.011 15.895 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.468 3.831 15.395 1.00 0.00 H new ATOM 0 HE1 HIS A 105 20.602 7.486 15.007 1.00 0.00 H new ATOM 1568 N TRP A 106 14.601 7.614 14.405 1.00 0.00 N ATOM 1569 CA TRP A 106 14.571 8.844 13.612 1.00 0.00 C ATOM 1570 C TRP A 106 14.364 10.073 14.506 1.00 0.00 C ATOM 1571 O TRP A 106 13.763 9.990 15.576 1.00 0.00 O ATOM 1572 CB TRP A 106 13.499 8.764 12.507 1.00 0.00 C ATOM 1573 CG TRP A 106 14.082 8.886 11.133 1.00 0.00 C ATOM 1574 CD1 TRP A 106 14.609 7.858 10.433 1.00 0.00 C ATOM 1575 CD2 TRP A 106 14.317 10.085 10.326 1.00 0.00 C ATOM 1576 NE1 TRP A 106 15.167 8.333 9.264 1.00 0.00 N ATOM 1577 CE2 TRP A 106 15.047 9.700 9.162 1.00 0.00 C ATOM 1578 CE3 TRP A 106 14.030 11.461 10.470 1.00 0.00 C ATOM 1579 CZ2 TRP A 106 15.504 10.624 8.212 1.00 0.00 C ATOM 1580 CZ3 TRP A 106 14.457 12.395 9.503 1.00 0.00 C ATOM 1581 CH2 TRP A 106 15.200 11.984 8.384 1.00 0.00 C ATOM 0 H TRP A 106 14.007 7.663 15.232 1.00 0.00 H new ATOM 0 HA TRP A 106 15.540 8.953 13.124 1.00 0.00 H new ATOM 0 HB2 TRP A 106 12.967 7.816 12.590 1.00 0.00 H new ATOM 0 HB3 TRP A 106 12.766 9.556 12.659 1.00 0.00 H new ATOM 0 HD1 TRP A 106 14.596 6.823 10.741 1.00 0.00 H new ATOM 0 HE1 TRP A 106 15.614 7.743 8.562 1.00 0.00 H new ATOM 0 HE3 TRP A 106 13.476 11.802 11.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 16.081 10.295 7.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 14.210 13.439 9.625 1.00 0.00 H new ATOM 0 HH2 TRP A 106 15.536 12.711 7.659 1.00 0.00 H new ATOM 1592 N HIS A 107 14.857 11.226 14.043 1.00 0.00 N ATOM 1593 CA HIS A 107 14.947 12.468 14.812 1.00 0.00 C ATOM 1594 C HIS A 107 14.670 13.644 13.867 1.00 0.00 C ATOM 1595 O HIS A 107 15.430 13.830 12.911 1.00 0.00 O ATOM 1596 CB HIS A 107 16.360 12.572 15.417 1.00 0.00 C ATOM 1597 CG HIS A 107 16.797 11.374 16.226 1.00 0.00 C ATOM 1598 ND1 HIS A 107 16.179 10.864 17.345 1.00 0.00 N ATOM 1599 CD2 HIS A 107 17.870 10.572 15.948 1.00 0.00 C ATOM 1600 CE1 HIS A 107 16.862 9.776 17.731 1.00 0.00 C ATOM 1601 NE2 HIS A 107 17.900 9.556 16.907 1.00 0.00 N ATOM 0 H HIS A 107 15.215 11.322 13.093 1.00 0.00 H new ATOM 0 HA HIS A 107 14.217 12.484 15.621 1.00 0.00 H new ATOM 0 HB2 HIS A 107 17.075 12.726 14.609 1.00 0.00 H new ATOM 0 HB3 HIS A 107 16.403 13.456 16.053 1.00 0.00 H new ATOM 0 HD1 HIS A 107 15.349 11.245 17.800 1.00 0.00 H new ATOM 0 HD2 HIS A 107 18.568 10.701 15.134 1.00 0.00 H new ATOM 0 HE1 HIS A 107 16.612 9.163 18.584 1.00 0.00 H new ATOM 1609 N LYS A 108 13.582 14.402 14.072 1.00 0.00 N ATOM 1610 CA LYS A 108 13.185 15.496 13.169 1.00 0.00 C ATOM 1611 C LYS A 108 12.388 16.626 13.835 1.00 0.00 C ATOM 1612 O LYS A 108 11.202 16.482 14.130 1.00 0.00 O ATOM 1613 CB LYS A 108 12.474 14.957 11.909 1.00 0.00 C ATOM 1614 CG LYS A 108 11.320 13.963 12.127 1.00 0.00 C ATOM 1615 CD LYS A 108 10.614 13.666 10.794 1.00 0.00 C ATOM 1616 CE LYS A 108 9.497 12.634 10.972 1.00 0.00 C ATOM 1617 NZ LYS A 108 8.687 12.498 9.740 1.00 0.00 N ATOM 0 H LYS A 108 12.954 14.275 14.865 1.00 0.00 H new ATOM 0 HA LYS A 108 14.121 15.965 12.865 1.00 0.00 H new ATOM 0 HB2 LYS A 108 12.086 15.808 11.349 1.00 0.00 H new ATOM 0 HB3 LYS A 108 13.221 14.475 11.279 1.00 0.00 H new ATOM 0 HG2 LYS A 108 11.704 13.038 12.557 1.00 0.00 H new ATOM 0 HG3 LYS A 108 10.606 14.374 12.841 1.00 0.00 H new ATOM 0 HD2 LYS A 108 10.198 14.588 10.387 1.00 0.00 H new ATOM 0 HD3 LYS A 108 11.340 13.297 10.070 1.00 0.00 H new ATOM 0 HE2 LYS A 108 9.930 11.668 11.233 1.00 0.00 H new ATOM 0 HE3 LYS A 108 8.854 12.930 11.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 7.993 11.733 9.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 8.188 13.391 9.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 9.310 12.275 8.938 1.00 0.00 H new ATOM 1631 N SER A 109 13.034 17.790 13.959 1.00 0.00 N ATOM 1632 CA SER A 109 12.456 19.098 14.296 1.00 0.00 C ATOM 1633 C SER A 109 11.876 19.193 15.720 1.00 0.00 C ATOM 1634 O SER A 109 10.865 19.866 15.933 1.00 0.00 O ATOM 1635 CB SER A 109 11.461 19.526 13.203 1.00 0.00 C ATOM 1636 OG SER A 109 10.959 20.811 13.494 1.00 0.00 O ATOM 0 H SER A 109 14.042 17.849 13.817 1.00 0.00 H new ATOM 0 HA SER A 109 13.276 19.815 14.316 1.00 0.00 H new ATOM 0 HB2 SER A 109 11.953 19.529 12.231 1.00 0.00 H new ATOM 0 HB3 SER A 109 10.641 18.810 13.143 1.00 0.00 H new ATOM 0 HG SER A 109 10.648 20.838 14.423 1.00 0.00 H new ATOM 1642 N GLY A 110 12.528 18.550 16.693 1.00 0.00 N ATOM 1643 CA GLY A 110 12.134 18.583 18.107 1.00 0.00 C ATOM 1644 C GLY A 110 12.625 17.390 18.932 1.00 0.00 C ATOM 1645 O GLY A 110 12.015 17.071 19.949 1.00 0.00 O ATOM 0 H GLY A 110 13.358 17.983 16.519 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.515 19.500 18.556 1.00 0.00 H new ATOM 0 HA3 GLY A 110 11.047 18.627 18.167 1.00 0.00 H new ATOM 1649 N SER A 111 13.659 16.684 18.467 1.00 0.00 N ATOM 1650 CA SER A 111 14.178 15.462 19.073 1.00 0.00 C ATOM 1651 C SER A 111 14.764 15.683 20.470 1.00 0.00 C ATOM 1652 O SER A 111 15.346 16.727 20.764 1.00 0.00 O ATOM 1653 CB SER A 111 15.269 14.922 18.145 1.00 0.00 C ATOM 1654 OG SER A 111 15.892 13.778 18.682 1.00 0.00 O ATOM 0 H SER A 111 14.173 16.959 17.630 1.00 0.00 H new ATOM 0 HA SER A 111 13.353 14.760 19.195 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.834 14.678 17.176 1.00 0.00 H new ATOM 0 HB3 SER A 111 16.017 15.696 17.973 1.00 0.00 H new ATOM 0 HG SER A 111 15.312 12.998 18.552 1.00 0.00 H new ATOM 1660 N SER A 112 14.761 14.614 21.272 1.00 0.00 N ATOM 1661 CA SER A 112 15.562 14.435 22.489 1.00 0.00 C ATOM 1662 C SER A 112 17.066 14.642 22.244 1.00 0.00 C ATOM 1663 O SER A 112 17.801 14.961 23.174 1.00 0.00 O ATOM 1664 CB SER A 112 15.358 13.017 23.046 1.00 0.00 C ATOM 1665 OG SER A 112 13.992 12.650 23.100 1.00 0.00 O ATOM 0 H SER A 112 14.168 13.806 21.080 1.00 0.00 H new ATOM 0 HA SER A 112 15.222 15.190 23.198 1.00 0.00 H new ATOM 0 HB2 SER A 112 15.899 12.304 22.424 1.00 0.00 H new ATOM 0 HB3 SER A 112 15.787 12.957 24.046 1.00 0.00 H new ATOM 0 HG SER A 112 13.749 12.171 22.280 1.00 0.00 H new ATOM 1671 N ILE A 113 17.520 14.475 20.993 1.00 0.00 N ATOM 1672 CA ILE A 113 18.898 14.685 20.530 1.00 0.00 C ATOM 1673 C ILE A 113 19.095 16.120 19.978 1.00 0.00 C ATOM 1674 O ILE A 113 20.200 16.494 19.595 1.00 0.00 O ATOM 1675 CB ILE A 113 19.279 13.578 19.504 1.00 0.00 C ATOM 1676 CG1 ILE A 113 18.790 12.155 19.888 1.00 0.00 C ATOM 1677 CG2 ILE A 113 20.800 13.516 19.258 1.00 0.00 C ATOM 1678 CD1 ILE A 113 19.284 11.626 21.243 1.00 0.00 C ATOM 0 H ILE A 113 16.903 14.174 20.238 1.00 0.00 H new ATOM 0 HA ILE A 113 19.581 14.599 21.375 1.00 0.00 H new ATOM 0 HB ILE A 113 18.759 13.877 18.594 1.00 0.00 H new ATOM 0 HG12 ILE A 113 17.700 12.154 19.893 1.00 0.00 H new ATOM 0 HG13 ILE A 113 19.105 11.460 19.110 1.00 0.00 H new ATOM 0 HG21 ILE A 113 21.020 12.730 18.536 1.00 0.00 H new ATOM 0 HG22 ILE A 113 21.145 14.474 18.868 1.00 0.00 H new ATOM 0 HG23 ILE A 113 21.312 13.301 20.196 1.00 0.00 H new ATOM 0 HD11 ILE A 113 18.884 10.626 21.411 1.00 0.00 H new ATOM 0 HD12 ILE A 113 20.373 11.585 21.243 1.00 0.00 H new ATOM 0 HD13 ILE A 113 18.946 12.291 22.038 1.00 0.00 H new ATOM 1690 N GLY A 114 18.043 16.954 19.958 1.00 0.00 N ATOM 1691 CA GLY A 114 18.115 18.385 19.641 1.00 0.00 C ATOM 1692 C GLY A 114 17.922 18.750 18.165 1.00 0.00 C ATOM 1693 O GLY A 114 18.162 19.901 17.805 1.00 0.00 O ATOM 0 H GLY A 114 17.095 16.641 20.168 1.00 0.00 H new ATOM 0 HA2 GLY A 114 17.358 18.907 20.227 1.00 0.00 H new ATOM 0 HA3 GLY A 114 19.085 18.762 19.965 1.00 0.00 H new ATOM 1697 N LYS A 115 17.501 17.800 17.314 1.00 0.00 N ATOM 1698 CA LYS A 115 17.308 17.986 15.865 1.00 0.00 C ATOM 1699 C LYS A 115 15.921 17.572 15.346 1.00 0.00 C ATOM 1700 O LYS A 115 14.991 17.408 16.167 1.00 0.00 O ATOM 1701 CB LYS A 115 18.468 17.316 15.104 1.00 0.00 C ATOM 1702 CG LYS A 115 18.367 15.775 15.043 1.00 0.00 C ATOM 1703 CD LYS A 115 19.040 15.163 13.802 1.00 0.00 C ATOM 1704 CE LYS A 115 18.576 15.743 12.451 1.00 0.00 C ATOM 1705 NZ LYS A 115 17.103 15.880 12.342 1.00 0.00 N ATOM 0 H LYS A 115 17.279 16.854 17.623 1.00 0.00 H new ATOM 0 HA LYS A 115 17.331 19.058 15.669 1.00 0.00 H new ATOM 0 HB2 LYS A 115 18.499 17.709 14.088 1.00 0.00 H new ATOM 0 HB3 LYS A 115 19.409 17.590 15.580 1.00 0.00 H new ATOM 0 HG2 LYS A 115 18.823 15.353 15.939 1.00 0.00 H new ATOM 0 HG3 LYS A 115 17.316 15.487 15.055 1.00 0.00 H new ATOM 0 HD2 LYS A 115 20.118 15.301 13.888 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.855 14.089 13.801 1.00 0.00 H new ATOM 0 HE2 LYS A 115 19.036 16.721 12.307 1.00 0.00 H new ATOM 0 HE3 LYS A 115 18.934 15.101 11.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 16.838 15.994 11.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.646 15.029 12.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.791 16.714 12.880 1.00 0.00 H new