USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 760 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 46 SER OG : rot 120:sc= 0 USER MOD Set 1.2: A 64 HIS : no HD1:sc= -0.0566 X(o=-0.057,f=-0.0058) USER MOD Set 2.1: A 10 HIS : no HD1:sc= -0.608 K(o=-0.66,f=-3.9) USER MOD Set 2.2: A 13 MET CE :methyl -167:sc= -0.0482 (180deg=-0.616) USER MOD Single : A 9 TYR OH : rot -114:sc= 0.745 USER MOD Single : A 12 HIS : no HD1:sc= -0.0695 X(o=-0.069,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.822 K(o=-0.82,f=-3.5!) USER MOD Single : A 20 THR OG1 : rot 77:sc= 0.31 USER MOD Single : A 23 GLN : amide:sc= -2.45 K(o=-2.4,f=-4.7!) USER MOD Single : A 25 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.095) USER MOD Single : A 30 THR OG1 : rot 76:sc= 1.04 USER MOD Single : A 36 SER OG : rot -170:sc= 0 USER MOD Single : A 49 SER OG : rot -70:sc= 1.25 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 LYS NZ :NH3+ -113:sc= -0.293 (180deg=-1.39) USER MOD Single : A 58 SER OG : rot -19:sc= 0.116 USER MOD Single : A 63 THR OG1 : rot -166:sc= 0.312 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 166:sc=-0.00464 (180deg=-0.375) USER MOD Single : A 69 CYS SG : rot 50:sc= 0.76 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot -117:sc= 0.998 USER MOD Single : A 81 THR OG1 : rot 49:sc= 0.147 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 93 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0918) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -73:sc= 0.745 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -5.07! C(o=-5.1!,f=-6.3!) USER MOD Single : A 111 TYR OH : rot 30:sc= -0.375 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.148 USER MOD Single : B 12 ASN : amide:sc= -2.03! C(o=-2!,f=-8.2!) USER MOD ----------------------------------------------------------------- ATOM 66 N TRP A 8 3.252 -6.044 -9.942 1.00 0.00 N ATOM 67 CA TRP A 8 3.431 -4.990 -8.950 1.00 0.00 C ATOM 68 C TRP A 8 3.989 -5.556 -7.649 1.00 0.00 C ATOM 69 O TRP A 8 4.395 -4.808 -6.759 1.00 0.00 O ATOM 70 CB TRP A 8 2.103 -4.281 -8.684 1.00 0.00 C ATOM 71 CG TRP A 8 0.907 -5.156 -8.906 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.083 -5.156 -9.996 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.401 -6.159 -8.018 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.905 -6.098 -9.838 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.733 -6.727 -8.634 1.00 0.00 C ATOM 76 CE3 TRP A 8 0.795 -6.633 -6.765 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -1.473 -7.743 -8.036 1.00 0.00 C ATOM 78 CZ3 TRP A 8 0.059 -7.642 -6.173 1.00 0.00 C ATOM 79 CH2 TRP A 8 -1.064 -8.188 -6.809 1.00 0.00 C ATOM 0 HA TRP A 8 4.146 -4.269 -9.347 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.093 -3.918 -7.656 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.030 -3.407 -9.331 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.192 -4.511 -10.855 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.647 -6.297 -10.509 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.659 -6.219 -6.267 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -2.339 -8.165 -8.524 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.354 -8.016 -5.204 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.618 -8.976 -6.320 1.00 0.00 H new ATOM 90 N TYR A 9 4.008 -6.880 -7.544 1.00 0.00 N ATOM 91 CA TYR A 9 4.514 -7.546 -6.350 1.00 0.00 C ATOM 92 C TYR A 9 6.005 -7.277 -6.168 1.00 0.00 C ATOM 93 O TYR A 9 6.781 -7.342 -7.121 1.00 0.00 O ATOM 94 CB TYR A 9 4.263 -9.052 -6.435 1.00 0.00 C ATOM 95 CG TYR A 9 4.571 -9.791 -5.153 1.00 0.00 C ATOM 96 CD1 TYR A 9 3.827 -9.563 -4.001 1.00 0.00 C ATOM 97 CD2 TYR A 9 5.606 -10.715 -5.091 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.105 -10.234 -2.826 1.00 0.00 C ATOM 99 CE2 TYR A 9 5.891 -11.393 -3.921 1.00 0.00 C ATOM 100 CZ TYR A 9 5.137 -11.149 -2.791 1.00 0.00 C ATOM 101 OH TYR A 9 5.417 -11.821 -1.623 1.00 0.00 O ATOM 0 H TYR A 9 3.678 -7.514 -8.272 1.00 0.00 H new ATOM 0 HA TYR A 9 3.982 -7.144 -5.488 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.220 -9.223 -6.702 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.870 -9.468 -7.239 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.017 -8.849 -4.025 1.00 0.00 H new ATOM 0 HD2 TYR A 9 6.199 -10.907 -5.973 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.518 -10.043 -1.940 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.699 -12.109 -3.891 1.00 0.00 H new ATOM 0 HH TYR A 9 6.300 -11.551 -1.294 1.00 0.00 H new ATOM 111 N HIS A 10 6.398 -6.974 -4.935 1.00 0.00 N ATOM 112 CA HIS A 10 7.796 -6.696 -4.625 1.00 0.00 C ATOM 113 C HIS A 10 8.421 -7.852 -3.850 1.00 0.00 C ATOM 114 O HIS A 10 9.294 -8.553 -4.358 1.00 0.00 O ATOM 115 CB HIS A 10 7.914 -5.402 -3.818 1.00 0.00 C ATOM 116 CG HIS A 10 8.070 -4.179 -4.667 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.233 -3.441 -4.716 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.201 -3.566 -5.504 1.00 0.00 C ATOM 119 CE1 HIS A 10 9.073 -2.425 -5.546 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.848 -2.479 -6.038 1.00 0.00 N ATOM 0 H HIS A 10 5.769 -6.915 -4.135 1.00 0.00 H new ATOM 0 HA HIS A 10 8.335 -6.579 -5.565 1.00 0.00 H new ATOM 0 HB2 HIS A 10 7.027 -5.290 -3.194 1.00 0.00 H new ATOM 0 HB3 HIS A 10 8.769 -5.479 -3.146 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.187 -3.874 -5.713 1.00 0.00 H new ATOM 0 HE1 HIS A 10 9.817 -1.678 -5.782 1.00 0.00 H new ATOM 0 HE2 HIS A 10 7.448 -1.820 -6.706 1.00 0.00 H new ATOM 129 N GLY A 11 7.967 -8.044 -2.614 1.00 0.00 N ATOM 130 CA GLY A 11 8.494 -9.116 -1.789 1.00 0.00 C ATOM 131 C GLY A 11 8.926 -8.632 -0.419 1.00 0.00 C ATOM 132 O GLY A 11 8.105 -8.504 0.489 1.00 0.00 O ATOM 0 H GLY A 11 7.245 -7.477 -2.170 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.735 -9.890 -1.675 1.00 0.00 H new ATOM 0 HA3 GLY A 11 9.344 -9.575 -2.294 1.00 0.00 H new ATOM 136 N HIS A 12 10.220 -8.367 -0.268 1.00 0.00 N ATOM 137 CA HIS A 12 10.760 -7.896 1.003 1.00 0.00 C ATOM 138 C HIS A 12 10.800 -6.372 1.045 1.00 0.00 C ATOM 139 O HIS A 12 11.403 -5.733 0.184 1.00 0.00 O ATOM 140 CB HIS A 12 12.165 -8.461 1.224 1.00 0.00 C ATOM 141 CG HIS A 12 12.562 -8.528 2.667 1.00 0.00 C ATOM 142 ND1 HIS A 12 13.765 -8.048 3.139 1.00 0.00 N ATOM 143 CD2 HIS A 12 11.907 -9.022 3.743 1.00 0.00 C ATOM 144 CE1 HIS A 12 13.834 -8.245 4.443 1.00 0.00 C ATOM 145 NE2 HIS A 12 12.720 -8.834 4.835 1.00 0.00 N ATOM 0 H HIS A 12 10.913 -8.470 -1.009 1.00 0.00 H new ATOM 0 HA HIS A 12 10.105 -8.247 1.801 1.00 0.00 H new ATOM 0 HB2 HIS A 12 12.218 -9.461 0.794 1.00 0.00 H new ATOM 0 HB3 HIS A 12 12.885 -7.844 0.686 1.00 0.00 H new ATOM 0 HD2 HIS A 12 10.928 -9.479 3.744 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.662 -7.971 5.080 1.00 0.00 H new ATOM 0 HE2 HIS A 12 12.498 -9.106 5.793 1.00 0.00 H new ATOM 154 N MET A 13 10.152 -5.796 2.053 1.00 0.00 N ATOM 155 CA MET A 13 10.114 -4.346 2.208 1.00 0.00 C ATOM 156 C MET A 13 9.521 -3.959 3.558 1.00 0.00 C ATOM 157 O MET A 13 8.739 -4.710 4.142 1.00 0.00 O ATOM 158 CB MET A 13 9.298 -3.713 1.079 1.00 0.00 C ATOM 159 CG MET A 13 9.487 -2.210 0.962 1.00 0.00 C ATOM 160 SD MET A 13 8.391 -1.464 -0.260 1.00 0.00 S ATOM 161 CE MET A 13 9.012 -2.202 -1.769 1.00 0.00 C ATOM 0 H MET A 13 9.647 -6.311 2.774 1.00 0.00 H new ATOM 0 HA MET A 13 11.137 -3.973 2.161 1.00 0.00 H new ATOM 0 HB2 MET A 13 9.576 -4.181 0.134 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.242 -3.927 1.241 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.309 -1.749 1.933 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.522 -1.998 0.693 1.00 0.00 H new ATOM 0 HE1 MET A 13 8.599 -1.674 -2.629 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.100 -2.131 -1.788 1.00 0.00 H new ATOM 0 HE3 MET A 13 8.716 -3.250 -1.810 1.00 0.00 H new ATOM 171 N SER A 14 9.898 -2.783 4.050 1.00 0.00 N ATOM 172 CA SER A 14 9.406 -2.298 5.334 1.00 0.00 C ATOM 173 C SER A 14 8.701 -0.955 5.174 1.00 0.00 C ATOM 174 O SER A 14 8.845 -0.284 4.153 1.00 0.00 O ATOM 175 CB SER A 14 10.561 -2.165 6.329 1.00 0.00 C ATOM 176 OG SER A 14 11.582 -1.328 5.816 1.00 0.00 O ATOM 0 H SER A 14 10.543 -2.149 3.579 1.00 0.00 H new ATOM 0 HA SER A 14 8.687 -3.022 5.717 1.00 0.00 H new ATOM 0 HB2 SER A 14 10.190 -1.757 7.269 1.00 0.00 H new ATOM 0 HB3 SER A 14 10.971 -3.151 6.549 1.00 0.00 H new ATOM 0 HG SER A 14 12.307 -1.258 6.471 1.00 0.00 H new ATOM 182 N GLY A 15 7.938 -0.568 6.193 1.00 0.00 N ATOM 183 CA GLY A 15 7.222 0.693 6.146 1.00 0.00 C ATOM 184 C GLY A 15 8.118 1.855 5.769 1.00 0.00 C ATOM 185 O GLY A 15 7.709 2.750 5.030 1.00 0.00 O ATOM 0 H GLY A 15 7.804 -1.106 7.049 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.407 0.618 5.426 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.770 0.887 7.119 1.00 0.00 H new ATOM 189 N GLY A 16 9.346 1.844 6.278 1.00 0.00 N ATOM 190 CA GLY A 16 10.283 2.912 5.980 1.00 0.00 C ATOM 191 C GLY A 16 10.772 2.870 4.547 1.00 0.00 C ATOM 192 O GLY A 16 10.879 3.907 3.891 1.00 0.00 O ATOM 0 H GLY A 16 9.709 1.115 6.892 1.00 0.00 H new ATOM 0 HA2 GLY A 16 9.806 3.873 6.170 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.137 2.841 6.654 1.00 0.00 H new ATOM 196 N GLN A 17 11.070 1.671 4.059 1.00 0.00 N ATOM 197 CA GLN A 17 11.554 1.500 2.693 1.00 0.00 C ATOM 198 C GLN A 17 10.482 1.898 1.683 1.00 0.00 C ATOM 199 O GLN A 17 10.772 2.558 0.685 1.00 0.00 O ATOM 200 CB GLN A 17 11.979 0.050 2.457 1.00 0.00 C ATOM 201 CG GLN A 17 12.922 -0.123 1.278 1.00 0.00 C ATOM 202 CD GLN A 17 13.437 -1.543 1.145 1.00 0.00 C ATOM 203 OE1 GLN A 17 12.769 -2.497 1.547 1.00 0.00 O ATOM 204 NE2 GLN A 17 14.629 -1.691 0.581 1.00 0.00 N ATOM 0 H GLN A 17 10.985 0.803 4.588 1.00 0.00 H new ATOM 0 HA GLN A 17 12.418 2.151 2.556 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.463 -0.329 3.357 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.090 -0.558 2.293 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.406 0.159 0.360 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.767 0.557 1.391 1.00 0.00 H new ATOM 0 HE21 GLN A 17 15.148 -0.873 0.262 1.00 0.00 H new ATOM 0 HE22 GLN A 17 15.027 -2.623 0.466 1.00 0.00 H new ATOM 213 N ALA A 18 9.245 1.493 1.949 1.00 0.00 N ATOM 214 CA ALA A 18 8.131 1.808 1.065 1.00 0.00 C ATOM 215 C ALA A 18 7.956 3.317 0.918 1.00 0.00 C ATOM 216 O ALA A 18 7.835 3.831 -0.194 1.00 0.00 O ATOM 217 CB ALA A 18 6.849 1.176 1.585 1.00 0.00 C ATOM 0 H ALA A 18 8.989 0.945 2.771 1.00 0.00 H new ATOM 0 HA ALA A 18 8.354 1.396 0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 18 6.025 1.420 0.914 1.00 0.00 H new ATOM 0 HB2 ALA A 18 6.970 0.094 1.632 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.632 1.561 2.581 1.00 0.00 H new ATOM 223 N GLU A 19 7.944 4.019 2.046 1.00 0.00 N ATOM 224 CA GLU A 19 7.784 5.468 2.041 1.00 0.00 C ATOM 225 C GLU A 19 8.866 6.133 1.195 1.00 0.00 C ATOM 226 O GLU A 19 8.580 7.009 0.378 1.00 0.00 O ATOM 227 CB GLU A 19 7.832 6.014 3.470 1.00 0.00 C ATOM 228 CG GLU A 19 6.474 6.064 4.148 1.00 0.00 C ATOM 229 CD GLU A 19 6.387 7.151 5.202 1.00 0.00 C ATOM 230 OE1 GLU A 19 7.210 7.133 6.141 1.00 0.00 O ATOM 231 OE2 GLU A 19 5.497 8.019 5.088 1.00 0.00 O ATOM 0 H GLU A 19 8.043 3.608 2.974 1.00 0.00 H new ATOM 0 HA GLU A 19 6.812 5.698 1.604 1.00 0.00 H new ATOM 0 HB2 GLU A 19 8.503 5.394 4.065 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.257 7.018 3.452 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.703 6.230 3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.267 5.098 4.609 1.00 0.00 H new ATOM 238 N THR A 20 10.110 5.709 1.396 1.00 0.00 N ATOM 239 CA THR A 20 11.235 6.264 0.654 1.00 0.00 C ATOM 240 C THR A 20 11.111 5.965 -0.836 1.00 0.00 C ATOM 241 O THR A 20 11.135 6.876 -1.666 1.00 0.00 O ATOM 242 CB THR A 20 12.575 5.707 1.167 1.00 0.00 C ATOM 243 OG1 THR A 20 12.716 5.977 2.567 1.00 0.00 O ATOM 244 CG2 THR A 20 13.743 6.320 0.408 1.00 0.00 C ATOM 0 H THR A 20 10.364 4.983 2.066 1.00 0.00 H new ATOM 0 HA THR A 20 11.215 7.343 0.809 1.00 0.00 H new ATOM 0 HB THR A 20 12.580 4.629 1.003 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.168 5.346 3.079 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.679 5.911 0.788 1.00 0.00 H new ATOM 0 HG22 THR A 20 13.650 6.087 -0.653 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.738 7.401 0.544 1.00 0.00 H new ATOM 252 N LEU A 21 10.977 4.687 -1.170 1.00 0.00 N ATOM 253 CA LEU A 21 10.848 4.268 -2.562 1.00 0.00 C ATOM 254 C LEU A 21 9.705 5.007 -3.248 1.00 0.00 C ATOM 255 O LEU A 21 9.928 5.821 -4.146 1.00 0.00 O ATOM 256 CB LEU A 21 10.616 2.758 -2.641 1.00 0.00 C ATOM 257 CG LEU A 21 11.823 1.876 -2.322 1.00 0.00 C ATOM 258 CD1 LEU A 21 11.435 0.406 -2.358 1.00 0.00 C ATOM 259 CD2 LEU A 21 12.959 2.153 -3.296 1.00 0.00 C ATOM 0 H LEU A 21 10.955 3.922 -0.496 1.00 0.00 H new ATOM 0 HA LEU A 21 11.776 4.514 -3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.810 2.498 -1.955 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.270 2.516 -3.646 1.00 0.00 H new ATOM 0 HG LEU A 21 12.167 2.115 -1.316 1.00 0.00 H new ATOM 0 HD11 LEU A 21 12.307 -0.206 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.655 0.217 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 21 11.064 0.152 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 21 13.810 1.516 -3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 21 12.626 1.943 -4.312 1.00 0.00 H new ATOM 0 HD23 LEU A 21 13.256 3.199 -3.221 1.00 0.00 H new ATOM 271 N LEU A 22 8.480 4.721 -2.820 1.00 0.00 N ATOM 272 CA LEU A 22 7.300 5.359 -3.392 1.00 0.00 C ATOM 273 C LEU A 22 7.562 6.836 -3.672 1.00 0.00 C ATOM 274 O LEU A 22 7.469 7.287 -4.813 1.00 0.00 O ATOM 275 CB LEU A 22 6.107 5.211 -2.447 1.00 0.00 C ATOM 276 CG LEU A 22 5.388 3.862 -2.479 1.00 0.00 C ATOM 277 CD1 LEU A 22 4.349 3.784 -1.371 1.00 0.00 C ATOM 278 CD2 LEU A 22 4.740 3.636 -3.837 1.00 0.00 C ATOM 0 H LEU A 22 8.278 4.051 -2.078 1.00 0.00 H new ATOM 0 HA LEU A 22 7.071 4.864 -4.336 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.451 5.393 -1.429 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.383 5.991 -2.683 1.00 0.00 H new ATOM 0 HG LEU A 22 6.124 3.075 -2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.848 2.817 -1.410 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.839 3.900 -0.404 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.615 4.579 -1.504 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.233 2.671 -3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.016 4.428 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.506 3.647 -4.612 1.00 0.00 H new ATOM 290 N GLN A 23 7.891 7.582 -2.622 1.00 0.00 N ATOM 291 CA GLN A 23 8.168 9.008 -2.756 1.00 0.00 C ATOM 292 C GLN A 23 9.308 9.251 -3.739 1.00 0.00 C ATOM 293 O GLN A 23 9.390 10.311 -4.359 1.00 0.00 O ATOM 294 CB GLN A 23 8.516 9.611 -1.394 1.00 0.00 C ATOM 295 CG GLN A 23 7.356 9.603 -0.411 1.00 0.00 C ATOM 296 CD GLN A 23 7.815 9.618 1.034 1.00 0.00 C ATOM 297 OE1 GLN A 23 9.002 9.458 1.321 1.00 0.00 O ATOM 298 NE2 GLN A 23 6.876 9.810 1.952 1.00 0.00 N ATOM 0 H GLN A 23 7.972 7.224 -1.671 1.00 0.00 H new ATOM 0 HA GLN A 23 7.271 9.492 -3.142 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.350 9.057 -0.963 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.854 10.637 -1.536 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.722 10.470 -0.596 1.00 0.00 H new ATOM 0 HG3 GLN A 23 6.744 8.718 -0.585 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.905 9.938 1.669 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.126 9.829 2.941 1.00 0.00 H new ATOM 307 N ALA A 24 10.185 8.262 -3.877 1.00 0.00 N ATOM 308 CA ALA A 24 11.320 8.368 -4.786 1.00 0.00 C ATOM 309 C ALA A 24 10.854 8.558 -6.226 1.00 0.00 C ATOM 310 O ALA A 24 11.359 9.420 -6.944 1.00 0.00 O ATOM 311 CB ALA A 24 12.204 7.135 -4.673 1.00 0.00 C ATOM 0 H ALA A 24 10.131 7.378 -3.371 1.00 0.00 H new ATOM 0 HA ALA A 24 11.901 9.245 -4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 24 13.047 7.228 -5.357 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.574 7.045 -3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 24 11.625 6.248 -4.929 1.00 0.00 H new ATOM 317 N LYS A 25 9.887 7.746 -6.641 1.00 0.00 N ATOM 318 CA LYS A 25 9.351 7.824 -7.995 1.00 0.00 C ATOM 319 C LYS A 25 8.705 9.183 -8.247 1.00 0.00 C ATOM 320 O LYS A 25 8.982 9.837 -9.252 1.00 0.00 O ATOM 321 CB LYS A 25 8.328 6.710 -8.225 1.00 0.00 C ATOM 322 CG LYS A 25 8.081 6.405 -9.693 1.00 0.00 C ATOM 323 CD LYS A 25 7.692 4.951 -9.902 1.00 0.00 C ATOM 324 CE LYS A 25 7.746 4.566 -11.373 1.00 0.00 C ATOM 325 NZ LYS A 25 6.665 5.222 -12.158 1.00 0.00 N ATOM 0 H LYS A 25 9.459 7.026 -6.059 1.00 0.00 H new ATOM 0 HA LYS A 25 10.178 7.700 -8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.672 5.804 -7.727 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.385 6.992 -7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.290 7.052 -10.072 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.979 6.629 -10.268 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.362 4.308 -9.332 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.686 4.783 -9.517 1.00 0.00 H new ATOM 0 HE2 LYS A 25 8.715 4.845 -11.786 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.659 3.484 -11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.640 4.820 -13.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 5.750 5.061 -11.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.849 6.244 -12.215 1.00 0.00 H new ATOM 339 N GLY A 26 7.841 9.602 -7.327 1.00 0.00 N ATOM 340 CA GLY A 26 7.170 10.881 -7.468 1.00 0.00 C ATOM 341 C GLY A 26 5.906 10.784 -8.298 1.00 0.00 C ATOM 342 O GLY A 26 5.588 11.693 -9.065 1.00 0.00 O ATOM 0 H GLY A 26 7.594 9.079 -6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.923 11.269 -6.480 1.00 0.00 H new ATOM 0 HA3 GLY A 26 7.851 11.596 -7.930 1.00 0.00 H new ATOM 346 N GLU A 27 5.183 9.678 -8.148 1.00 0.00 N ATOM 347 CA GLU A 27 3.949 9.466 -8.893 1.00 0.00 C ATOM 348 C GLU A 27 2.766 9.281 -7.947 1.00 0.00 C ATOM 349 O GLU A 27 2.743 8.377 -7.111 1.00 0.00 O ATOM 350 CB GLU A 27 4.081 8.245 -9.806 1.00 0.00 C ATOM 351 CG GLU A 27 4.913 8.503 -11.052 1.00 0.00 C ATOM 352 CD GLU A 27 4.114 9.160 -12.160 1.00 0.00 C ATOM 353 OE1 GLU A 27 3.103 9.823 -11.849 1.00 0.00 O ATOM 354 OE2 GLU A 27 4.501 9.012 -13.338 1.00 0.00 O ATOM 0 H GLU A 27 5.431 8.916 -7.517 1.00 0.00 H new ATOM 0 HA GLU A 27 3.768 10.350 -9.504 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.530 7.427 -9.242 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.086 7.917 -10.106 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.760 9.139 -10.794 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.321 7.559 -11.414 1.00 0.00 H new ATOM 361 N PRO A 28 1.760 10.158 -8.079 1.00 0.00 N ATOM 362 CA PRO A 28 0.556 10.114 -7.245 1.00 0.00 C ATOM 363 C PRO A 28 -0.323 8.908 -7.560 1.00 0.00 C ATOM 364 O PRO A 28 -0.388 8.458 -8.704 1.00 0.00 O ATOM 365 CB PRO A 28 -0.171 11.413 -7.600 1.00 0.00 C ATOM 366 CG PRO A 28 0.299 11.746 -8.973 1.00 0.00 C ATOM 367 CD PRO A 28 1.721 11.261 -9.054 1.00 0.00 C ATOM 0 HA PRO A 28 0.797 10.021 -6.186 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.253 11.282 -7.573 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.071 12.208 -6.895 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.322 11.261 -9.726 1.00 0.00 H new ATOM 0 HG3 PRO A 28 0.242 12.819 -9.155 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.973 10.919 -10.058 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.430 12.049 -8.798 1.00 0.00 H new ATOM 375 N TRP A 29 -0.999 8.391 -6.540 1.00 0.00 N ATOM 376 CA TRP A 29 -1.875 7.237 -6.709 1.00 0.00 C ATOM 377 C TRP A 29 -1.072 5.993 -7.072 1.00 0.00 C ATOM 378 O TRP A 29 -1.528 5.151 -7.846 1.00 0.00 O ATOM 379 CB TRP A 29 -2.919 7.519 -7.791 1.00 0.00 C ATOM 380 CG TRP A 29 -3.699 8.776 -7.551 1.00 0.00 C ATOM 381 CD1 TRP A 29 -3.892 9.802 -8.432 1.00 0.00 C ATOM 382 CD2 TRP A 29 -4.389 9.141 -6.351 1.00 0.00 C ATOM 383 NE1 TRP A 29 -4.660 10.782 -7.852 1.00 0.00 N ATOM 384 CE2 TRP A 29 -4.978 10.400 -6.575 1.00 0.00 C ATOM 385 CE3 TRP A 29 -4.567 8.526 -5.109 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -5.731 11.053 -5.603 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -5.314 9.175 -4.145 1.00 0.00 C ATOM 388 CH2 TRP A 29 -5.890 10.428 -4.396 1.00 0.00 C ATOM 0 H TRP A 29 -0.957 8.753 -5.587 1.00 0.00 H new ATOM 0 HA TRP A 29 -2.383 7.055 -5.762 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -2.420 7.589 -8.758 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.609 6.677 -7.848 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.498 9.837 -9.437 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.947 11.653 -8.299 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.128 7.560 -4.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.174 12.019 -5.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -5.457 8.709 -3.181 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.470 10.909 -3.622 1.00 0.00 H new ATOM 399 N THR A 30 0.126 5.881 -6.506 1.00 0.00 N ATOM 400 CA THR A 30 0.992 4.740 -6.770 1.00 0.00 C ATOM 401 C THR A 30 0.933 3.729 -5.631 1.00 0.00 C ATOM 402 O THR A 30 1.342 4.020 -4.507 1.00 0.00 O ATOM 403 CB THR A 30 2.454 5.179 -6.976 1.00 0.00 C ATOM 404 OG1 THR A 30 2.542 6.089 -8.078 1.00 0.00 O ATOM 405 CG2 THR A 30 3.350 3.977 -7.232 1.00 0.00 C ATOM 0 H THR A 30 0.518 6.568 -5.862 1.00 0.00 H new ATOM 0 HA THR A 30 0.628 4.273 -7.685 1.00 0.00 H new ATOM 0 HB THR A 30 2.792 5.676 -6.067 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.212 6.970 -7.802 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.377 4.313 -7.374 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.304 3.301 -6.378 1.00 0.00 H new ATOM 0 HG23 THR A 30 3.012 3.455 -8.127 1.00 0.00 H new ATOM 413 N PHE A 31 0.421 2.538 -5.927 1.00 0.00 N ATOM 414 CA PHE A 31 0.308 1.483 -4.927 1.00 0.00 C ATOM 415 C PHE A 31 1.367 0.407 -5.149 1.00 0.00 C ATOM 416 O PHE A 31 1.857 0.223 -6.264 1.00 0.00 O ATOM 417 CB PHE A 31 -1.087 0.858 -4.970 1.00 0.00 C ATOM 418 CG PHE A 31 -1.190 -0.316 -5.902 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.453 -0.128 -7.249 1.00 0.00 C ATOM 420 CD2 PHE A 31 -1.023 -1.608 -5.430 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.548 -1.206 -8.108 1.00 0.00 C ATOM 422 CE2 PHE A 31 -1.116 -2.690 -6.284 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.380 -2.488 -7.625 1.00 0.00 C ATOM 0 H PHE A 31 0.078 2.280 -6.852 1.00 0.00 H new ATOM 0 HA PHE A 31 0.469 1.929 -3.945 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.365 0.539 -3.965 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.807 1.617 -5.274 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -1.585 0.873 -7.632 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.818 -1.771 -4.382 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.753 -1.046 -9.156 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.983 -3.692 -5.904 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.455 -3.332 -8.294 1.00 0.00 H new ATOM 433 N LEU A 32 1.717 -0.299 -4.080 1.00 0.00 N ATOM 434 CA LEU A 32 2.718 -1.358 -4.156 1.00 0.00 C ATOM 435 C LEU A 32 2.493 -2.400 -3.067 1.00 0.00 C ATOM 436 O LEU A 32 2.260 -2.060 -1.905 1.00 0.00 O ATOM 437 CB LEU A 32 4.124 -0.767 -4.030 1.00 0.00 C ATOM 438 CG LEU A 32 4.677 -0.650 -2.610 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.413 -1.922 -2.217 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.597 0.557 -2.494 1.00 0.00 C ATOM 0 H LEU A 32 1.323 -0.158 -3.150 1.00 0.00 H new ATOM 0 HA LEU A 32 2.621 -1.847 -5.125 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.808 -1.381 -4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.121 0.226 -4.480 1.00 0.00 H new ATOM 0 HG LEU A 32 3.840 -0.512 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.800 -1.820 -1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.727 -2.768 -2.260 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.241 -2.091 -2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.982 0.625 -1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.429 0.449 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.040 1.463 -2.733 1.00 0.00 H new ATOM 452 N VAL A 33 2.565 -3.672 -3.447 1.00 0.00 N ATOM 453 CA VAL A 33 2.372 -4.765 -2.501 1.00 0.00 C ATOM 454 C VAL A 33 3.705 -5.253 -1.947 1.00 0.00 C ATOM 455 O VAL A 33 4.671 -5.430 -2.690 1.00 0.00 O ATOM 456 CB VAL A 33 1.636 -5.949 -3.155 1.00 0.00 C ATOM 457 CG1 VAL A 33 1.393 -7.054 -2.138 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.325 -5.485 -3.772 1.00 0.00 C ATOM 0 H VAL A 33 2.756 -3.971 -4.403 1.00 0.00 H new ATOM 0 HA VAL A 33 1.764 -4.375 -1.685 1.00 0.00 H new ATOM 0 HB VAL A 33 2.264 -6.351 -3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.872 -7.882 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 33 2.348 -7.404 -1.746 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.785 -6.668 -1.320 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.182 -6.334 -4.230 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.311 -5.057 -2.997 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.528 -4.730 -4.532 1.00 0.00 H new ATOM 468 N ARG A 34 3.752 -5.470 -0.637 1.00 0.00 N ATOM 469 CA ARG A 34 4.967 -5.939 0.018 1.00 0.00 C ATOM 470 C ARG A 34 4.636 -6.878 1.174 1.00 0.00 C ATOM 471 O ARG A 34 3.483 -6.975 1.595 1.00 0.00 O ATOM 472 CB ARG A 34 5.786 -4.752 0.531 1.00 0.00 C ATOM 473 CG ARG A 34 4.976 -3.767 1.359 1.00 0.00 C ATOM 474 CD ARG A 34 5.772 -2.507 1.660 1.00 0.00 C ATOM 475 NE ARG A 34 5.107 -1.662 2.649 1.00 0.00 N ATOM 476 CZ ARG A 34 4.949 -2.006 3.922 1.00 0.00 C ATOM 477 NH1 ARG A 34 5.407 -3.171 4.360 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.333 -1.183 4.761 1.00 0.00 N ATOM 0 H ARG A 34 2.962 -5.328 -0.008 1.00 0.00 H new ATOM 0 HA ARG A 34 5.555 -6.489 -0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.614 -5.126 1.133 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.222 -4.227 -0.319 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.064 -3.503 0.824 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.672 -4.239 2.293 1.00 0.00 H new ATOM 0 HD2 ARG A 34 6.762 -2.782 2.025 1.00 0.00 H new ATOM 0 HD3 ARG A 34 5.918 -1.942 0.739 1.00 0.00 H new ATOM 0 HE ARG A 34 4.744 -0.758 2.345 1.00 0.00 H new ATOM 0 HH11 ARG A 34 5.882 -3.806 3.719 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.284 -3.432 5.338 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.980 -0.286 4.428 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.212 -1.448 5.739 1.00 0.00 H new ATOM 492 N GLU A 35 5.653 -7.569 1.679 1.00 0.00 N ATOM 493 CA GLU A 35 5.467 -8.501 2.785 1.00 0.00 C ATOM 494 C GLU A 35 5.601 -7.788 4.127 1.00 0.00 C ATOM 495 O GLU A 35 6.265 -6.757 4.231 1.00 0.00 O ATOM 496 CB GLU A 35 6.486 -9.640 2.697 1.00 0.00 C ATOM 497 CG GLU A 35 6.149 -10.679 1.642 1.00 0.00 C ATOM 498 CD GLU A 35 7.320 -11.587 1.321 1.00 0.00 C ATOM 499 OE1 GLU A 35 7.986 -12.053 2.269 1.00 0.00 O ATOM 500 OE2 GLU A 35 7.570 -11.831 0.122 1.00 0.00 O ATOM 0 H GLU A 35 6.613 -7.501 1.340 1.00 0.00 H new ATOM 0 HA GLU A 35 4.461 -8.915 2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.469 -9.221 2.481 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.555 -10.130 3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.310 -11.283 1.988 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.825 -10.175 0.732 1.00 0.00 H new ATOM 507 N SER A 36 4.963 -8.344 5.152 1.00 0.00 N ATOM 508 CA SER A 36 5.006 -7.759 6.487 1.00 0.00 C ATOM 509 C SER A 36 6.403 -7.879 7.089 1.00 0.00 C ATOM 510 O SER A 36 7.320 -8.409 6.458 1.00 0.00 O ATOM 511 CB SER A 36 3.985 -8.443 7.399 1.00 0.00 C ATOM 512 OG SER A 36 2.676 -7.965 7.148 1.00 0.00 O ATOM 0 H SER A 36 4.410 -9.199 5.084 1.00 0.00 H new ATOM 0 HA SER A 36 4.756 -6.701 6.401 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.018 -9.521 7.242 1.00 0.00 H new ATOM 0 HB3 SER A 36 4.247 -8.264 8.442 1.00 0.00 H new ATOM 0 HG SER A 36 2.068 -8.295 7.842 1.00 0.00 H new ATOM 586 N ASP A 42 1.529 -12.474 6.430 1.00 0.00 N ATOM 587 CA ASP A 42 0.712 -11.304 6.130 1.00 0.00 C ATOM 588 C ASP A 42 1.415 -10.391 5.132 1.00 0.00 C ATOM 589 O ASP A 42 2.517 -10.691 4.669 1.00 0.00 O ATOM 590 CB ASP A 42 0.397 -10.533 7.412 1.00 0.00 C ATOM 591 CG ASP A 42 -0.607 -11.253 8.291 1.00 0.00 C ATOM 592 OD1 ASP A 42 -1.782 -11.365 7.880 1.00 0.00 O ATOM 593 OD2 ASP A 42 -0.218 -11.705 9.387 1.00 0.00 O ATOM 0 HA ASP A 42 -0.221 -11.648 5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 42 1.318 -10.375 7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.008 -9.548 7.154 1.00 0.00 H new ATOM 598 N PHE A 43 0.772 -9.276 4.801 1.00 0.00 N ATOM 599 CA PHE A 43 1.336 -8.320 3.856 1.00 0.00 C ATOM 600 C PHE A 43 0.847 -6.906 4.156 1.00 0.00 C ATOM 601 O PHE A 43 -0.141 -6.715 4.864 1.00 0.00 O ATOM 602 CB PHE A 43 0.963 -8.707 2.423 1.00 0.00 C ATOM 603 CG PHE A 43 1.300 -10.129 2.080 1.00 0.00 C ATOM 604 CD1 PHE A 43 0.397 -11.149 2.331 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.521 -10.447 1.506 1.00 0.00 C ATOM 606 CE1 PHE A 43 0.704 -12.460 2.015 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.833 -11.755 1.188 1.00 0.00 C ATOM 608 CZ PHE A 43 1.925 -12.762 1.444 1.00 0.00 C ATOM 0 H PHE A 43 -0.140 -9.012 5.173 1.00 0.00 H new ATOM 0 HA PHE A 43 2.421 -8.341 3.960 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -0.106 -8.550 2.279 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.478 -8.042 1.730 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.558 -10.918 2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.237 -9.663 1.305 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.009 -13.246 2.214 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.787 -11.989 0.739 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.169 -13.785 1.198 1.00 0.00 H new ATOM 618 N VAL A 44 1.548 -5.915 3.612 1.00 0.00 N ATOM 619 CA VAL A 44 1.187 -4.519 3.820 1.00 0.00 C ATOM 620 C VAL A 44 1.025 -3.788 2.492 1.00 0.00 C ATOM 621 O VAL A 44 1.902 -3.847 1.628 1.00 0.00 O ATOM 622 CB VAL A 44 2.242 -3.786 4.671 1.00 0.00 C ATOM 623 CG1 VAL A 44 1.807 -2.356 4.947 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.490 -4.536 5.971 1.00 0.00 C ATOM 0 H VAL A 44 2.369 -6.055 3.024 1.00 0.00 H new ATOM 0 HA VAL A 44 0.235 -4.515 4.352 1.00 0.00 H new ATOM 0 HB VAL A 44 3.177 -3.754 4.111 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.565 -1.855 5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.684 -1.825 4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.860 -2.362 5.487 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.238 -4.005 6.560 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.561 -4.600 6.537 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.850 -5.541 5.749 1.00 0.00 H new ATOM 634 N LEU A 45 -0.100 -3.100 2.335 1.00 0.00 N ATOM 635 CA LEU A 45 -0.376 -2.357 1.110 1.00 0.00 C ATOM 636 C LEU A 45 0.062 -0.902 1.246 1.00 0.00 C ATOM 637 O LEU A 45 -0.405 -0.183 2.129 1.00 0.00 O ATOM 638 CB LEU A 45 -1.867 -2.423 0.775 1.00 0.00 C ATOM 639 CG LEU A 45 -2.229 -2.317 -0.707 1.00 0.00 C ATOM 640 CD1 LEU A 45 -1.803 -0.967 -1.264 1.00 0.00 C ATOM 641 CD2 LEU A 45 -1.584 -3.448 -1.495 1.00 0.00 C ATOM 0 H LEU A 45 -0.835 -3.041 3.039 1.00 0.00 H new ATOM 0 HA LEU A 45 0.193 -2.815 0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.264 -3.363 1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.375 -1.621 1.310 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.311 -2.403 -0.805 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.068 -0.909 -2.320 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.310 -0.172 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.725 -0.852 -1.154 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.852 -3.357 -2.548 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.500 -3.392 -1.390 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.937 -4.406 -1.112 1.00 0.00 H new ATOM 653 N SER A 46 0.959 -0.475 0.363 1.00 0.00 N ATOM 654 CA SER A 46 1.461 0.894 0.385 1.00 0.00 C ATOM 655 C SER A 46 0.961 1.677 -0.827 1.00 0.00 C ATOM 656 O SER A 46 0.958 1.169 -1.948 1.00 0.00 O ATOM 657 CB SER A 46 2.990 0.899 0.413 1.00 0.00 C ATOM 658 OG SER A 46 3.484 2.040 1.093 1.00 0.00 O ATOM 0 H SER A 46 1.353 -1.057 -0.376 1.00 0.00 H new ATOM 0 HA SER A 46 1.086 1.377 1.288 1.00 0.00 H new ATOM 0 HB2 SER A 46 3.351 -0.005 0.904 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.376 0.884 -0.606 1.00 0.00 H new ATOM 0 HG SER A 46 4.018 1.756 1.864 1.00 0.00 H new ATOM 664 N VAL A 47 0.539 2.914 -0.591 1.00 0.00 N ATOM 665 CA VAL A 47 0.037 3.768 -1.662 1.00 0.00 C ATOM 666 C VAL A 47 0.469 5.216 -1.457 1.00 0.00 C ATOM 667 O VAL A 47 0.405 5.744 -0.346 1.00 0.00 O ATOM 668 CB VAL A 47 -1.499 3.710 -1.753 1.00 0.00 C ATOM 669 CG1 VAL A 47 -1.965 4.070 -3.156 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.004 2.331 -1.352 1.00 0.00 C ATOM 0 H VAL A 47 0.534 3.348 0.332 1.00 0.00 H new ATOM 0 HA VAL A 47 0.463 3.393 -2.593 1.00 0.00 H new ATOM 0 HB VAL A 47 -1.915 4.441 -1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.053 4.024 -3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.634 5.079 -3.401 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.542 3.365 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.091 2.307 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -1.581 1.580 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -1.702 2.117 -0.327 1.00 0.00 H new ATOM 680 N LEU A 48 0.908 5.854 -2.537 1.00 0.00 N ATOM 681 CA LEU A 48 1.349 7.243 -2.477 1.00 0.00 C ATOM 682 C LEU A 48 0.228 8.190 -2.892 1.00 0.00 C ATOM 683 O LEU A 48 -0.177 8.217 -4.054 1.00 0.00 O ATOM 684 CB LEU A 48 2.567 7.450 -3.379 1.00 0.00 C ATOM 685 CG LEU A 48 3.374 8.726 -3.136 1.00 0.00 C ATOM 686 CD1 LEU A 48 4.134 8.634 -1.822 1.00 0.00 C ATOM 687 CD2 LEU A 48 4.332 8.981 -4.291 1.00 0.00 C ATOM 0 H LEU A 48 0.968 5.432 -3.464 1.00 0.00 H new ATOM 0 HA LEU A 48 1.624 7.467 -1.446 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.232 6.595 -3.259 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.231 7.449 -4.416 1.00 0.00 H new ATOM 0 HG LEU A 48 2.681 9.565 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 48 4.703 9.551 -1.666 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.428 8.500 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.817 7.785 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.897 9.893 -4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 48 5.020 8.141 -4.386 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.766 9.092 -5.216 1.00 0.00 H new ATOM 699 N SER A 49 -0.268 8.967 -1.934 1.00 0.00 N ATOM 700 CA SER A 49 -1.345 9.915 -2.200 1.00 0.00 C ATOM 701 C SER A 49 -0.811 11.163 -2.896 1.00 0.00 C ATOM 702 O SER A 49 0.373 11.486 -2.792 1.00 0.00 O ATOM 703 CB SER A 49 -2.044 10.304 -0.896 1.00 0.00 C ATOM 704 OG SER A 49 -1.205 11.112 -0.090 1.00 0.00 O ATOM 0 H SER A 49 0.058 8.959 -0.968 1.00 0.00 H new ATOM 0 HA SER A 49 -2.066 9.432 -2.860 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.966 10.841 -1.120 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.324 9.405 -0.348 1.00 0.00 H new ATOM 0 HG SER A 49 -0.471 10.568 0.266 1.00 0.00 H new ATOM 710 N ASP A 50 -1.691 11.860 -3.605 1.00 0.00 N ATOM 711 CA ASP A 50 -1.310 13.074 -4.318 1.00 0.00 C ATOM 712 C ASP A 50 -1.360 14.285 -3.393 1.00 0.00 C ATOM 713 O ASP A 50 -1.436 15.424 -3.852 1.00 0.00 O ATOM 714 CB ASP A 50 -2.230 13.295 -5.519 1.00 0.00 C ATOM 715 CG ASP A 50 -1.959 14.612 -6.220 1.00 0.00 C ATOM 716 OD1 ASP A 50 -0.818 14.815 -6.682 1.00 0.00 O ATOM 717 OD2 ASP A 50 -2.890 15.442 -6.305 1.00 0.00 O ATOM 0 H ASP A 50 -2.674 11.605 -3.702 1.00 0.00 H new ATOM 0 HA ASP A 50 -0.286 12.952 -4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.101 12.476 -6.227 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.268 13.270 -5.188 1.00 0.00 H new ATOM 722 N GLN A 51 -1.317 14.031 -2.089 1.00 0.00 N ATOM 723 CA GLN A 51 -1.360 15.101 -1.100 1.00 0.00 C ATOM 724 C GLN A 51 -0.077 15.131 -0.276 1.00 0.00 C ATOM 725 O GLN A 51 0.131 14.318 0.624 1.00 0.00 O ATOM 726 CB GLN A 51 -2.568 14.926 -0.179 1.00 0.00 C ATOM 727 CG GLN A 51 -3.902 15.104 -0.885 1.00 0.00 C ATOM 728 CD GLN A 51 -4.989 15.616 0.041 1.00 0.00 C ATOM 729 OE1 GLN A 51 -5.345 14.959 1.020 1.00 0.00 O ATOM 730 NE2 GLN A 51 -5.522 16.793 -0.264 1.00 0.00 N ATOM 0 H GLN A 51 -1.252 13.093 -1.693 1.00 0.00 H new ATOM 0 HA GLN A 51 -1.452 16.049 -1.631 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.533 13.932 0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.499 15.645 0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -3.779 15.800 -1.715 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.213 14.150 -1.312 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.196 17.303 -1.085 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -6.257 17.187 0.323 1.00 0.00 H new ATOM 739 N PRO A 52 0.805 16.092 -0.588 1.00 0.00 N ATOM 740 CA PRO A 52 2.082 16.252 0.113 1.00 0.00 C ATOM 741 C PRO A 52 1.902 16.747 1.543 1.00 0.00 C ATOM 742 O PRO A 52 0.918 17.419 1.859 1.00 0.00 O ATOM 743 CB PRO A 52 2.819 17.299 -0.727 1.00 0.00 C ATOM 744 CG PRO A 52 1.738 18.074 -1.399 1.00 0.00 C ATOM 745 CD PRO A 52 0.623 17.097 -1.649 1.00 0.00 C ATOM 0 HA PRO A 52 2.616 15.306 0.206 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.438 17.943 -0.103 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.480 16.829 -1.455 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.401 18.899 -0.771 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.093 18.509 -2.333 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.354 17.577 -1.585 1.00 0.00 H new ATOM 0 HD3 PRO A 52 0.694 16.651 -2.641 1.00 0.00 H new ATOM 753 N LYS A 53 2.855 16.413 2.406 1.00 0.00 N ATOM 754 CA LYS A 53 2.803 16.824 3.803 1.00 0.00 C ATOM 755 C LYS A 53 2.800 18.346 3.923 1.00 0.00 C ATOM 756 O LYS A 53 1.973 18.921 4.630 1.00 0.00 O ATOM 757 CB LYS A 53 3.992 16.245 4.573 1.00 0.00 C ATOM 758 CG LYS A 53 4.385 14.848 4.122 1.00 0.00 C ATOM 759 CD LYS A 53 5.262 14.157 5.152 1.00 0.00 C ATOM 760 CE LYS A 53 6.555 14.923 5.387 1.00 0.00 C ATOM 761 NZ LYS A 53 6.403 15.954 6.450 1.00 0.00 N ATOM 0 H LYS A 53 3.675 15.857 2.161 1.00 0.00 H new ATOM 0 HA LYS A 53 1.878 16.440 4.233 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.848 16.910 4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 53 3.749 16.220 5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.487 14.254 3.950 1.00 0.00 H new ATOM 0 HG3 LYS A 53 4.916 14.907 3.172 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.717 14.064 6.091 1.00 0.00 H new ATOM 0 HD3 LYS A 53 5.493 13.146 4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.344 14.226 5.668 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.867 15.402 4.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.488 16.901 6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 5.469 15.857 6.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.145 15.825 7.167 1.00 0.00 H new ATOM 813 N SER A 58 7.412 18.816 -0.444 1.00 0.00 N ATOM 814 CA SER A 58 7.365 17.747 0.547 1.00 0.00 C ATOM 815 C SER A 58 6.956 16.426 -0.097 1.00 0.00 C ATOM 816 O SER A 58 6.292 16.391 -1.133 1.00 0.00 O ATOM 817 CB SER A 58 6.388 18.106 1.668 1.00 0.00 C ATOM 818 OG SER A 58 5.261 18.800 1.160 1.00 0.00 O ATOM 0 HA SER A 58 8.364 17.631 0.968 1.00 0.00 H new ATOM 0 HB2 SER A 58 6.062 17.198 2.175 1.00 0.00 H new ATOM 0 HB3 SER A 58 6.893 18.722 2.412 1.00 0.00 H new ATOM 0 HG SER A 58 5.472 19.163 0.275 1.00 0.00 H new ATOM 824 N PRO A 59 7.362 15.312 0.531 1.00 0.00 N ATOM 825 CA PRO A 59 7.049 13.968 0.037 1.00 0.00 C ATOM 826 C PRO A 59 5.569 13.628 0.181 1.00 0.00 C ATOM 827 O PRO A 59 4.957 13.895 1.216 1.00 0.00 O ATOM 828 CB PRO A 59 7.895 13.057 0.930 1.00 0.00 C ATOM 829 CG PRO A 59 8.096 13.835 2.184 1.00 0.00 C ATOM 830 CD PRO A 59 8.156 15.279 1.770 1.00 0.00 C ATOM 0 HA PRO A 59 7.263 13.864 -1.027 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.387 12.113 1.127 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.847 12.814 0.458 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.279 13.664 2.885 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.015 13.535 2.687 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.736 15.934 2.534 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.182 15.606 1.599 1.00 0.00 H new ATOM 838 N LEU A 60 4.999 13.036 -0.864 1.00 0.00 N ATOM 839 CA LEU A 60 3.590 12.659 -0.854 1.00 0.00 C ATOM 840 C LEU A 60 3.290 11.702 0.297 1.00 0.00 C ATOM 841 O LEU A 60 3.930 10.660 0.434 1.00 0.00 O ATOM 842 CB LEU A 60 3.207 12.008 -2.184 1.00 0.00 C ATOM 843 CG LEU A 60 2.700 12.955 -3.273 1.00 0.00 C ATOM 844 CD1 LEU A 60 3.543 14.220 -3.315 1.00 0.00 C ATOM 845 CD2 LEU A 60 2.707 12.262 -4.628 1.00 0.00 C ATOM 0 H LEU A 60 5.491 12.807 -1.728 1.00 0.00 H new ATOM 0 HA LEU A 60 2.998 13.564 -0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.077 11.476 -2.569 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.436 11.262 -1.992 1.00 0.00 H new ATOM 0 HG LEU A 60 1.674 13.235 -3.036 1.00 0.00 H new ATOM 0 HD11 LEU A 60 3.168 14.882 -4.096 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.487 14.727 -2.352 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.580 13.959 -3.528 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.343 12.951 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.723 11.953 -4.873 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.060 11.386 -4.592 1.00 0.00 H new ATOM 857 N ARG A 61 2.311 12.066 1.120 1.00 0.00 N ATOM 858 CA ARG A 61 1.926 11.240 2.259 1.00 0.00 C ATOM 859 C ARG A 61 1.631 9.809 1.817 1.00 0.00 C ATOM 860 O ARG A 61 0.883 9.584 0.867 1.00 0.00 O ATOM 861 CB ARG A 61 0.700 11.834 2.954 1.00 0.00 C ATOM 862 CG ARG A 61 0.452 11.266 4.341 1.00 0.00 C ATOM 863 CD ARG A 61 1.175 12.069 5.411 1.00 0.00 C ATOM 864 NE ARG A 61 1.524 11.250 6.569 1.00 0.00 N ATOM 865 CZ ARG A 61 1.987 11.749 7.710 1.00 0.00 C ATOM 866 NH1 ARG A 61 2.156 13.058 7.843 1.00 0.00 N ATOM 867 NH2 ARG A 61 2.282 10.940 8.718 1.00 0.00 N ATOM 0 H ARG A 61 1.771 12.926 1.020 1.00 0.00 H new ATOM 0 HA ARG A 61 2.759 11.220 2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.824 12.914 3.030 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.180 11.656 2.335 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.618 11.263 4.548 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.786 10.229 4.375 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.081 12.503 4.988 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.543 12.898 5.731 1.00 0.00 H new ATOM 0 HE ARG A 61 1.406 10.239 6.498 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.930 13.683 7.069 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.511 13.440 8.719 1.00 0.00 H new ATOM 0 HH21 ARG A 61 2.154 9.933 8.618 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.637 11.325 9.593 1.00 0.00 H new ATOM 881 N VAL A 62 2.225 8.846 2.515 1.00 0.00 N ATOM 882 CA VAL A 62 2.025 7.437 2.197 1.00 0.00 C ATOM 883 C VAL A 62 1.010 6.799 3.138 1.00 0.00 C ATOM 884 O VAL A 62 0.825 7.252 4.269 1.00 0.00 O ATOM 885 CB VAL A 62 3.348 6.651 2.276 1.00 0.00 C ATOM 886 CG1 VAL A 62 3.093 5.161 2.112 1.00 0.00 C ATOM 887 CG2 VAL A 62 4.327 7.153 1.225 1.00 0.00 C ATOM 0 H VAL A 62 2.848 9.016 3.304 1.00 0.00 H new ATOM 0 HA VAL A 62 1.645 7.394 1.176 1.00 0.00 H new ATOM 0 HB VAL A 62 3.791 6.813 3.259 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.038 4.621 2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.429 4.816 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.629 4.976 1.143 1.00 0.00 H new ATOM 0 HG21 VAL A 62 5.256 6.588 1.294 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.895 7.021 0.233 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.532 8.210 1.394 1.00 0.00 H new ATOM 897 N THR A 63 0.354 5.744 2.666 1.00 0.00 N ATOM 898 CA THR A 63 -0.642 5.043 3.466 1.00 0.00 C ATOM 899 C THR A 63 -0.351 3.547 3.519 1.00 0.00 C ATOM 900 O THR A 63 -0.301 2.877 2.487 1.00 0.00 O ATOM 901 CB THR A 63 -2.062 5.259 2.909 1.00 0.00 C ATOM 902 OG1 THR A 63 -2.497 6.595 3.180 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.040 4.267 3.521 1.00 0.00 C ATOM 0 H THR A 63 0.495 5.356 1.733 1.00 0.00 H new ATOM 0 HA THR A 63 -0.587 5.457 4.473 1.00 0.00 H new ATOM 0 HB THR A 63 -2.034 5.099 1.831 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.464 6.661 3.032 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.036 4.439 3.113 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.722 3.251 3.287 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.064 4.400 4.603 1.00 0.00 H new ATOM 911 N HIS A 64 -0.161 3.029 4.728 1.00 0.00 N ATOM 912 CA HIS A 64 0.124 1.611 4.915 1.00 0.00 C ATOM 913 C HIS A 64 -1.116 0.868 5.403 1.00 0.00 C ATOM 914 O HIS A 64 -1.476 0.946 6.579 1.00 0.00 O ATOM 915 CB HIS A 64 1.268 1.426 5.913 1.00 0.00 C ATOM 916 CG HIS A 64 2.406 2.377 5.701 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.275 2.285 4.635 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.813 3.445 6.426 1.00 0.00 C ATOM 919 CE1 HIS A 64 4.170 3.254 4.714 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.911 3.973 5.791 1.00 0.00 N ATOM 0 H HIS A 64 -0.199 3.569 5.592 1.00 0.00 H new ATOM 0 HA HIS A 64 0.421 1.195 3.952 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.882 1.554 6.924 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.641 0.404 5.841 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.359 3.813 7.334 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.976 3.428 4.017 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.440 4.788 6.101 1.00 0.00 H new ATOM 929 N ILE A 65 -1.765 0.149 4.494 1.00 0.00 N ATOM 930 CA ILE A 65 -2.964 -0.607 4.832 1.00 0.00 C ATOM 931 C ILE A 65 -2.639 -2.080 5.062 1.00 0.00 C ATOM 932 O ILE A 65 -2.202 -2.781 4.149 1.00 0.00 O ATOM 933 CB ILE A 65 -4.031 -0.496 3.728 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.198 0.963 3.296 1.00 0.00 C ATOM 935 CG2 ILE A 65 -5.357 -1.066 4.211 1.00 0.00 C ATOM 936 CD1 ILE A 65 -4.676 1.119 1.869 1.00 0.00 C ATOM 0 H ILE A 65 -1.480 0.074 3.517 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.359 -0.176 5.752 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.702 -1.076 2.866 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.907 1.452 3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.245 1.479 3.410 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.100 -0.980 3.419 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.227 -2.116 4.474 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.694 -0.511 5.087 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.772 2.178 1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.956 0.659 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.645 0.632 1.754 1.00 0.00 H new ATOM 948 N LYS A 66 -2.856 -2.544 6.288 1.00 0.00 N ATOM 949 CA LYS A 66 -2.589 -3.934 6.639 1.00 0.00 C ATOM 950 C LYS A 66 -3.323 -4.883 5.697 1.00 0.00 C ATOM 951 O LYS A 66 -4.507 -4.703 5.417 1.00 0.00 O ATOM 952 CB LYS A 66 -3.011 -4.206 8.085 1.00 0.00 C ATOM 953 CG LYS A 66 -1.956 -3.824 9.109 1.00 0.00 C ATOM 954 CD LYS A 66 -2.028 -4.710 10.341 1.00 0.00 C ATOM 955 CE LYS A 66 -1.577 -3.968 11.588 1.00 0.00 C ATOM 956 NZ LYS A 66 -1.972 -4.683 12.833 1.00 0.00 N ATOM 0 H LYS A 66 -3.216 -1.977 7.056 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.518 -4.109 6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.927 -3.655 8.297 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.244 -5.265 8.194 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -0.966 -3.904 8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.091 -2.782 9.400 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.050 -5.064 10.477 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.403 -5.591 10.194 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -0.494 -3.847 11.567 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -2.009 -2.967 11.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.646 -4.145 13.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -3.007 -4.776 12.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.539 -5.629 12.843 1.00 0.00 H new ATOM 970 N VAL A 67 -2.611 -5.895 5.212 1.00 0.00 N ATOM 971 CA VAL A 67 -3.194 -6.875 4.303 1.00 0.00 C ATOM 972 C VAL A 67 -3.048 -8.289 4.852 1.00 0.00 C ATOM 973 O VAL A 67 -1.960 -8.865 4.829 1.00 0.00 O ATOM 974 CB VAL A 67 -2.542 -6.806 2.909 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.171 -7.828 1.974 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.659 -5.403 2.335 1.00 0.00 C ATOM 0 H VAL A 67 -1.629 -6.058 5.434 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.253 -6.632 4.212 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.483 -7.045 3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.698 -7.764 0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.029 -8.829 2.381 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.237 -7.624 1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.193 -5.373 1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.711 -5.132 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.157 -4.696 2.996 1.00 0.00 H new ATOM 986 N MET A 68 -4.151 -8.844 5.345 1.00 0.00 N ATOM 987 CA MET A 68 -4.145 -10.193 5.898 1.00 0.00 C ATOM 988 C MET A 68 -4.409 -11.229 4.809 1.00 0.00 C ATOM 989 O MET A 68 -5.196 -10.991 3.891 1.00 0.00 O ATOM 990 CB MET A 68 -5.195 -10.319 7.004 1.00 0.00 C ATOM 991 CG MET A 68 -4.846 -9.546 8.264 1.00 0.00 C ATOM 992 SD MET A 68 -5.014 -7.763 8.057 1.00 0.00 S ATOM 993 CE MET A 68 -6.661 -7.500 8.712 1.00 0.00 C ATOM 0 H MET A 68 -5.059 -8.381 5.373 1.00 0.00 H new ATOM 0 HA MET A 68 -3.158 -10.381 6.321 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.154 -9.966 6.625 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.320 -11.372 7.257 1.00 0.00 H new ATOM 0 HG2 MET A 68 -5.492 -9.875 9.078 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.822 -9.779 8.556 1.00 0.00 H new ATOM 0 HE1 MET A 68 -6.818 -6.435 8.885 1.00 0.00 H new ATOM 0 HE2 MET A 68 -7.399 -7.864 7.998 1.00 0.00 H new ATOM 0 HE3 MET A 68 -6.769 -8.040 9.653 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.749 -12.376 4.916 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.912 -13.447 3.941 1.00 0.00 C ATOM 1005 C CYS A 69 -4.319 -14.748 4.624 1.00 0.00 C ATOM 1006 O CYS A 69 -3.736 -15.138 5.634 1.00 0.00 O ATOM 1007 CB CYS A 69 -2.614 -13.652 3.156 1.00 0.00 C ATOM 1008 SG CYS A 69 -2.633 -15.092 2.064 1.00 0.00 S ATOM 0 H CYS A 69 -3.095 -12.588 5.669 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.704 -13.158 3.250 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.417 -12.760 2.561 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.788 -13.754 3.860 1.00 0.00 H new ATOM 0 HG CYS A 69 -3.708 -15.069 1.334 1.00 0.00 H new ATOM 1043 N ARG A 73 -6.121 -16.364 0.285 1.00 0.00 N ATOM 1044 CA ARG A 73 -6.917 -15.170 0.026 1.00 0.00 C ATOM 1045 C ARG A 73 -6.277 -13.941 0.667 1.00 0.00 C ATOM 1046 O ARG A 73 -5.211 -14.030 1.276 1.00 0.00 O ATOM 1047 CB ARG A 73 -8.339 -15.354 0.559 1.00 0.00 C ATOM 1048 CG ARG A 73 -9.126 -16.432 -0.167 1.00 0.00 C ATOM 1049 CD ARG A 73 -10.188 -17.045 0.732 1.00 0.00 C ATOM 1050 NE ARG A 73 -11.269 -17.657 -0.037 1.00 0.00 N ATOM 1051 CZ ARG A 73 -12.257 -18.356 0.511 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -12.301 -18.530 1.825 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -13.203 -18.883 -0.256 1.00 0.00 N ATOM 0 HA ARG A 73 -6.957 -15.017 -1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -8.291 -15.603 1.619 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.874 -14.408 0.477 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -9.598 -16.006 -1.052 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -8.446 -17.211 -0.512 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -9.729 -17.797 1.374 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -10.599 -16.275 1.385 1.00 0.00 H new ATOM 0 HE ARG A 73 -11.265 -17.541 -1.050 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -11.575 -18.127 2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -13.061 -19.067 2.243 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -13.172 -18.752 -1.267 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -13.961 -19.420 0.165 1.00 0.00 H new ATOM 1067 N TYR A 74 -6.934 -12.796 0.523 1.00 0.00 N ATOM 1068 CA TYR A 74 -6.429 -11.549 1.085 1.00 0.00 C ATOM 1069 C TYR A 74 -7.576 -10.639 1.512 1.00 0.00 C ATOM 1070 O TYR A 74 -8.652 -10.650 0.912 1.00 0.00 O ATOM 1071 CB TYR A 74 -5.543 -10.828 0.067 1.00 0.00 C ATOM 1072 CG TYR A 74 -4.390 -11.668 -0.435 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -4.552 -12.534 -1.509 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -3.140 -11.596 0.167 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -3.500 -13.303 -1.970 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -2.083 -12.361 -0.288 1.00 0.00 C ATOM 1077 CZ TYR A 74 -2.269 -13.214 -1.357 1.00 0.00 C ATOM 1078 OH TYR A 74 -1.219 -13.978 -1.812 1.00 0.00 O ATOM 0 H TYR A 74 -7.818 -12.705 0.022 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.835 -11.792 1.966 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.155 -10.521 -0.782 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.149 -9.919 0.521 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.515 -12.608 -1.992 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.992 -10.931 1.005 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -3.642 -13.971 -2.807 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.117 -12.292 0.190 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.423 -13.795 -1.271 1.00 0.00 H new ATOM 1088 N THR A 75 -7.340 -9.849 2.555 1.00 0.00 N ATOM 1089 CA THR A 75 -8.352 -8.932 3.064 1.00 0.00 C ATOM 1090 C THR A 75 -7.711 -7.737 3.760 1.00 0.00 C ATOM 1091 O THR A 75 -6.511 -7.733 4.029 1.00 0.00 O ATOM 1092 CB THR A 75 -9.302 -9.637 4.050 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.420 -8.790 4.344 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.578 -9.994 5.339 1.00 0.00 C ATOM 0 H THR A 75 -6.456 -9.826 3.064 1.00 0.00 H new ATOM 0 HA THR A 75 -8.925 -8.584 2.204 1.00 0.00 H new ATOM 0 HB THR A 75 -9.655 -10.557 3.584 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.422 -8.571 5.299 1.00 0.00 H new ATOM 0 HG21 THR A 75 -9.270 -10.491 6.019 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.746 -10.662 5.116 1.00 0.00 H new ATOM 0 HG23 THR A 75 -8.199 -9.086 5.807 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.520 -6.722 4.049 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.032 -5.521 4.716 1.00 0.00 C ATOM 1104 C VAL A 76 -9.082 -4.954 5.664 1.00 0.00 C ATOM 1105 O VAL A 76 -10.123 -4.461 5.234 1.00 0.00 O ATOM 1106 CB VAL A 76 -7.637 -4.436 3.697 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.293 -4.761 3.064 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -8.715 -4.286 2.634 1.00 0.00 C ATOM 0 H VAL A 76 -9.516 -6.708 3.831 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.150 -5.811 5.287 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.543 -3.486 4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.031 -3.983 2.347 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.529 -4.812 3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.355 -5.721 2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -8.419 -3.515 1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.844 -5.233 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -9.655 -4.002 3.107 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.800 -5.028 6.963 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.730 -4.518 7.954 1.00 0.00 C ATOM 1120 C GLY A 77 -11.131 -5.064 7.769 1.00 0.00 C ATOM 1121 O GLY A 77 -12.083 -4.569 8.372 1.00 0.00 O ATOM 0 H GLY A 77 -7.945 -5.432 7.345 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.372 -4.776 8.951 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.757 -3.430 7.896 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.261 -6.088 6.930 1.00 0.00 N ATOM 1126 CA GLY A 78 -12.561 -6.683 6.680 1.00 0.00 C ATOM 1127 C GLY A 78 -12.494 -8.193 6.560 1.00 0.00 C ATOM 1128 O GLY A 78 -11.410 -8.778 6.594 1.00 0.00 O ATOM 0 H GLY A 78 -10.489 -6.516 6.419 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.241 -6.416 7.489 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -12.977 -6.267 5.763 1.00 0.00 H new ATOM 1132 N LEU A 79 -13.653 -8.825 6.419 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.722 -10.276 6.294 1.00 0.00 C ATOM 1134 C LEU A 79 -13.632 -10.703 4.832 1.00 0.00 C ATOM 1135 O LEU A 79 -13.173 -11.802 4.523 1.00 0.00 O ATOM 1136 CB LEU A 79 -15.021 -10.800 6.910 1.00 0.00 C ATOM 1137 CG LEU A 79 -16.314 -10.366 6.219 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -16.698 -11.358 5.132 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -17.440 -10.224 7.234 1.00 0.00 C ATOM 0 H LEU A 79 -14.558 -8.356 6.388 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.874 -10.702 6.831 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.983 -11.889 6.916 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.062 -10.477 7.950 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.145 -9.395 5.754 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -17.621 -11.032 4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.901 -11.411 4.390 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -16.847 -12.343 5.575 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -18.352 -9.914 6.724 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -17.607 -11.181 7.728 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -17.168 -9.475 7.977 1.00 0.00 H new ATOM 1151 N GLU A 80 -14.074 -9.824 3.937 1.00 0.00 N ATOM 1152 CA GLU A 80 -14.040 -10.109 2.507 1.00 0.00 C ATOM 1153 C GLU A 80 -12.664 -10.614 2.084 1.00 0.00 C ATOM 1154 O GLU A 80 -11.750 -9.827 1.834 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.405 -8.857 1.706 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.901 -8.643 1.558 1.00 0.00 C ATOM 1157 CD GLU A 80 -16.467 -9.312 0.320 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.732 -9.417 -0.684 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -17.643 -9.729 0.356 1.00 0.00 O ATOM 0 H GLU A 80 -14.459 -8.910 4.177 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.772 -10.890 2.301 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.968 -7.985 2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.957 -8.927 0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.409 -9.032 2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -16.109 -7.574 1.516 1.00 0.00 H new ATOM 1166 N THR A 81 -12.523 -11.934 2.009 1.00 0.00 N ATOM 1167 CA THR A 81 -11.259 -12.546 1.618 1.00 0.00 C ATOM 1168 C THR A 81 -11.243 -12.875 0.130 1.00 0.00 C ATOM 1169 O THR A 81 -11.807 -13.883 -0.298 1.00 0.00 O ATOM 1170 CB THR A 81 -10.985 -13.832 2.421 1.00 0.00 C ATOM 1171 OG1 THR A 81 -12.167 -14.640 2.468 1.00 0.00 O ATOM 1172 CG2 THR A 81 -10.533 -13.502 3.835 1.00 0.00 C ATOM 0 H THR A 81 -13.268 -12.599 2.214 1.00 0.00 H new ATOM 0 HA THR A 81 -10.476 -11.819 1.834 1.00 0.00 H new ATOM 0 HB THR A 81 -10.188 -14.383 1.922 1.00 0.00 H new ATOM 0 HG1 THR A 81 -12.533 -14.737 1.564 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.346 -14.426 4.382 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.618 -12.912 3.796 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.311 -12.932 4.342 1.00 0.00 H new ATOM 1180 N PHE A 82 -10.595 -12.022 -0.654 1.00 0.00 N ATOM 1181 CA PHE A 82 -10.507 -12.223 -2.096 1.00 0.00 C ATOM 1182 C PHE A 82 -9.666 -13.453 -2.423 1.00 0.00 C ATOM 1183 O PHE A 82 -8.786 -13.838 -1.653 1.00 0.00 O ATOM 1184 CB PHE A 82 -9.907 -10.986 -2.769 1.00 0.00 C ATOM 1185 CG PHE A 82 -10.649 -9.717 -2.463 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -10.420 -9.032 -1.280 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -11.578 -9.209 -3.357 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -11.101 -7.864 -0.995 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -12.262 -8.041 -3.077 1.00 0.00 C ATOM 1190 CZ PHE A 82 -12.024 -7.368 -1.895 1.00 0.00 C ATOM 0 H PHE A 82 -10.122 -11.184 -0.316 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.515 -12.382 -2.478 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.870 -10.877 -2.451 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -9.895 -11.139 -3.848 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.700 -9.416 -0.572 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -11.770 -9.731 -4.283 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.912 -7.340 -0.070 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -12.983 -7.655 -3.783 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.558 -6.456 -1.675 1.00 0.00 H new ATOM 1200 N ASP A 83 -9.943 -14.064 -3.569 1.00 0.00 N ATOM 1201 CA ASP A 83 -9.211 -15.249 -4.000 1.00 0.00 C ATOM 1202 C ASP A 83 -7.716 -14.963 -4.089 1.00 0.00 C ATOM 1203 O ASP A 83 -6.889 -15.835 -3.820 1.00 0.00 O ATOM 1204 CB ASP A 83 -9.733 -15.733 -5.354 1.00 0.00 C ATOM 1205 CG ASP A 83 -11.024 -16.519 -5.231 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -11.146 -17.312 -4.275 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -11.911 -16.341 -6.092 1.00 0.00 O ATOM 0 H ASP A 83 -10.669 -13.758 -4.217 1.00 0.00 H new ATOM 0 HA ASP A 83 -9.368 -16.032 -3.258 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.895 -14.874 -6.005 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.976 -16.356 -5.830 1.00 0.00 H new ATOM 1212 N SER A 84 -7.375 -13.737 -4.471 1.00 0.00 N ATOM 1213 CA SER A 84 -5.979 -13.337 -4.601 1.00 0.00 C ATOM 1214 C SER A 84 -5.847 -11.816 -4.611 1.00 0.00 C ATOM 1215 O SER A 84 -6.831 -11.098 -4.793 1.00 0.00 O ATOM 1216 CB SER A 84 -5.376 -13.920 -5.880 1.00 0.00 C ATOM 1217 OG SER A 84 -3.982 -14.132 -5.736 1.00 0.00 O ATOM 0 H SER A 84 -8.047 -13.003 -4.696 1.00 0.00 H new ATOM 0 HA SER A 84 -5.435 -13.726 -3.741 1.00 0.00 H new ATOM 0 HB2 SER A 84 -5.867 -14.863 -6.121 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.560 -13.243 -6.714 1.00 0.00 H new ATOM 0 HG SER A 84 -3.621 -14.507 -6.566 1.00 0.00 H new ATOM 1223 N LEU A 85 -4.627 -11.333 -4.411 1.00 0.00 N ATOM 1224 CA LEU A 85 -4.364 -9.898 -4.396 1.00 0.00 C ATOM 1225 C LEU A 85 -4.809 -9.251 -5.705 1.00 0.00 C ATOM 1226 O LEU A 85 -5.385 -8.162 -5.706 1.00 0.00 O ATOM 1227 CB LEU A 85 -2.875 -9.634 -4.163 1.00 0.00 C ATOM 1228 CG LEU A 85 -2.418 -9.618 -2.705 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -0.901 -9.686 -2.621 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -2.937 -8.375 -1.997 1.00 0.00 C ATOM 0 H LEU A 85 -3.803 -11.914 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.936 -9.456 -3.580 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -2.304 -10.396 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.622 -8.674 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.830 -10.495 -2.206 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.594 -9.674 -1.575 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.551 -10.605 -3.091 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.469 -8.828 -3.136 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.602 -8.380 -0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.555 -7.485 -2.497 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.027 -8.368 -2.026 1.00 0.00 H new ATOM 1242 N THR A 86 -4.539 -9.927 -6.816 1.00 0.00 N ATOM 1243 CA THR A 86 -4.911 -9.419 -8.130 1.00 0.00 C ATOM 1244 C THR A 86 -6.381 -9.017 -8.168 1.00 0.00 C ATOM 1245 O THR A 86 -6.757 -8.066 -8.853 1.00 0.00 O ATOM 1246 CB THR A 86 -4.648 -10.462 -9.232 1.00 0.00 C ATOM 1247 OG1 THR A 86 -3.252 -10.779 -9.284 1.00 0.00 O ATOM 1248 CG2 THR A 86 -5.106 -9.946 -10.587 1.00 0.00 C ATOM 0 H THR A 86 -4.063 -10.829 -6.832 1.00 0.00 H new ATOM 0 HA THR A 86 -4.291 -8.542 -8.316 1.00 0.00 H new ATOM 0 HB THR A 86 -5.216 -11.361 -8.993 1.00 0.00 H new ATOM 0 HG1 THR A 86 -3.093 -11.444 -9.986 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.910 -10.700 -11.349 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.175 -9.734 -10.553 1.00 0.00 H new ATOM 0 HG23 THR A 86 -4.562 -9.033 -10.831 1.00 0.00 H new ATOM 1256 N ASP A 87 -7.208 -9.746 -7.427 1.00 0.00 N ATOM 1257 CA ASP A 87 -8.637 -9.464 -7.374 1.00 0.00 C ATOM 1258 C ASP A 87 -8.943 -8.394 -6.331 1.00 0.00 C ATOM 1259 O ASP A 87 -9.629 -7.412 -6.617 1.00 0.00 O ATOM 1260 CB ASP A 87 -9.419 -10.740 -7.056 1.00 0.00 C ATOM 1261 CG ASP A 87 -10.858 -10.671 -7.530 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -11.097 -10.885 -8.736 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -11.746 -10.401 -6.693 1.00 0.00 O ATOM 0 H ASP A 87 -6.913 -10.537 -6.855 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.944 -9.092 -8.351 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -8.926 -11.591 -7.525 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.402 -10.914 -5.980 1.00 0.00 H new ATOM 1268 N LEU A 88 -8.429 -8.590 -5.121 1.00 0.00 N ATOM 1269 CA LEU A 88 -8.647 -7.641 -4.035 1.00 0.00 C ATOM 1270 C LEU A 88 -8.231 -6.234 -4.450 1.00 0.00 C ATOM 1271 O LEU A 88 -8.863 -5.250 -4.064 1.00 0.00 O ATOM 1272 CB LEU A 88 -7.864 -8.071 -2.793 1.00 0.00 C ATOM 1273 CG LEU A 88 -7.766 -7.037 -1.671 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -7.685 -7.724 -0.316 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -6.562 -6.132 -1.884 1.00 0.00 C ATOM 0 H LEU A 88 -7.859 -9.397 -4.868 1.00 0.00 H new ATOM 0 HA LEU A 88 -9.712 -7.631 -3.801 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.326 -8.972 -2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -6.854 -8.341 -3.100 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.666 -6.423 -1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.616 -6.972 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.578 -8.329 -0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.803 -8.364 -0.285 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.508 -5.402 -1.076 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.652 -6.733 -1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.662 -5.612 -2.837 1.00 0.00 H new ATOM 1287 N VAL A 89 -7.167 -6.145 -5.241 1.00 0.00 N ATOM 1288 CA VAL A 89 -6.669 -4.857 -5.711 1.00 0.00 C ATOM 1289 C VAL A 89 -7.488 -4.350 -6.892 1.00 0.00 C ATOM 1290 O VAL A 89 -7.867 -3.180 -6.941 1.00 0.00 O ATOM 1291 CB VAL A 89 -5.189 -4.946 -6.128 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.751 -3.665 -6.821 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -4.312 -5.235 -4.918 1.00 0.00 C ATOM 0 H VAL A 89 -6.633 -6.949 -5.570 1.00 0.00 H new ATOM 0 HA VAL A 89 -6.763 -4.158 -4.880 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.077 -5.768 -6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.703 -3.747 -7.108 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -5.360 -3.506 -7.711 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.876 -2.822 -6.141 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -3.269 -5.295 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.426 -4.435 -4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.611 -6.182 -4.470 1.00 0.00 H new ATOM 1303 N GLU A 90 -7.759 -5.238 -7.843 1.00 0.00 N ATOM 1304 CA GLU A 90 -8.534 -4.879 -9.025 1.00 0.00 C ATOM 1305 C GLU A 90 -9.863 -4.242 -8.631 1.00 0.00 C ATOM 1306 O GLU A 90 -10.372 -3.360 -9.325 1.00 0.00 O ATOM 1307 CB GLU A 90 -8.786 -6.115 -9.892 1.00 0.00 C ATOM 1308 CG GLU A 90 -7.696 -6.369 -10.921 1.00 0.00 C ATOM 1309 CD GLU A 90 -7.714 -5.358 -12.050 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -8.797 -4.808 -12.337 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -6.644 -5.118 -12.648 1.00 0.00 O ATOM 0 H GLU A 90 -7.454 -6.211 -7.818 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.958 -4.153 -9.599 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.876 -6.989 -9.247 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -9.740 -5.999 -10.406 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.724 -6.342 -10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -7.817 -7.371 -11.333 1.00 0.00 H new ATOM 1318 N HIS A 91 -10.422 -4.694 -7.512 1.00 0.00 N ATOM 1319 CA HIS A 91 -11.692 -4.169 -7.025 1.00 0.00 C ATOM 1320 C HIS A 91 -11.525 -2.747 -6.498 1.00 0.00 C ATOM 1321 O HIS A 91 -12.374 -1.885 -6.726 1.00 0.00 O ATOM 1322 CB HIS A 91 -12.253 -5.071 -5.925 1.00 0.00 C ATOM 1323 CG HIS A 91 -13.633 -4.691 -5.484 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -14.743 -4.815 -6.294 1.00 0.00 N ATOM 1325 CD2 HIS A 91 -14.080 -4.189 -4.311 1.00 0.00 C ATOM 1326 CE1 HIS A 91 -15.812 -4.404 -5.638 1.00 0.00 C ATOM 1327 NE2 HIS A 91 -15.437 -4.019 -4.431 1.00 0.00 N ATOM 0 H HIS A 91 -10.015 -5.423 -6.926 1.00 0.00 H new ATOM 0 HA HIS A 91 -12.393 -4.149 -7.860 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -12.265 -6.101 -6.282 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -11.584 -5.040 -5.065 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -13.481 -3.964 -3.441 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -16.821 -4.386 -6.022 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -16.055 -3.655 -3.706 1.00 0.00 H new ATOM 1336 N PHE A 92 -10.426 -2.509 -5.789 1.00 0.00 N ATOM 1337 CA PHE A 92 -10.149 -1.192 -5.228 1.00 0.00 C ATOM 1338 C PHE A 92 -9.632 -0.240 -6.302 1.00 0.00 C ATOM 1339 O PHE A 92 -9.759 0.979 -6.181 1.00 0.00 O ATOM 1340 CB PHE A 92 -9.128 -1.303 -4.093 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.555 -2.226 -2.989 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.889 -2.319 -2.623 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.624 -3.001 -2.316 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -11.286 -3.169 -1.607 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.015 -3.852 -1.300 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.348 -3.935 -0.944 1.00 0.00 C ATOM 0 H PHE A 92 -9.713 -3.211 -5.590 1.00 0.00 H new ATOM 0 HA PHE A 92 -11.081 -0.790 -4.831 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.180 -1.653 -4.501 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.950 -0.311 -3.678 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -11.627 -1.721 -3.137 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.581 -2.939 -2.589 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -12.329 -3.234 -1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.280 -4.452 -0.784 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.655 -4.598 -0.149 1.00 0.00 H new ATOM 1356 N LYS A 93 -9.049 -0.806 -7.354 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.513 -0.010 -8.451 1.00 0.00 C ATOM 1358 C LYS A 93 -9.624 0.760 -9.158 1.00 0.00 C ATOM 1359 O LYS A 93 -9.383 1.810 -9.756 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.784 -0.909 -9.452 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.345 -1.205 -9.068 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.704 -2.196 -10.025 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.325 -1.535 -11.342 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.137 -0.650 -11.196 1.00 0.00 N ATOM 0 H LYS A 93 -8.936 -1.813 -7.469 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.806 0.708 -8.035 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.327 -1.849 -9.545 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.799 -0.433 -10.433 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.771 -0.279 -9.064 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.313 -1.604 -8.054 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.815 -2.626 -9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -6.394 -3.018 -10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -5.117 -2.303 -12.087 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.169 -0.952 -11.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -3.787 -0.380 -12.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.404 0.205 -10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.389 -1.156 -10.680 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.841 0.233 -9.087 1.00 0.00 N ATOM 1379 CA LYS A 94 -11.990 0.872 -9.717 1.00 0.00 C ATOM 1380 C LYS A 94 -12.859 1.576 -8.679 1.00 0.00 C ATOM 1381 O LYS A 94 -13.397 2.655 -8.934 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.823 -0.164 -10.475 1.00 0.00 C ATOM 1383 CG LYS A 94 -13.211 -1.367 -9.632 1.00 0.00 C ATOM 1384 CD LYS A 94 -14.378 -2.124 -10.246 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.978 -3.115 -9.261 1.00 0.00 C ATOM 1386 NZ LYS A 94 -16.005 -3.982 -9.903 1.00 0.00 N ATOM 0 H LYS A 94 -11.057 -0.636 -8.599 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.619 1.617 -10.420 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.728 0.314 -10.850 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.260 -0.506 -11.343 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.355 -2.034 -9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.477 -1.038 -8.627 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -15.144 -1.417 -10.565 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -14.041 -2.653 -11.137 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -14.186 -3.737 -8.844 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.428 -2.573 -8.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -16.390 -4.644 -9.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -16.773 -3.390 -10.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -15.570 -4.518 -10.680 1.00 0.00 H new ATOM 1400 N THR A 95 -12.989 0.962 -7.508 1.00 0.00 N ATOM 1401 CA THR A 95 -13.792 1.530 -6.433 1.00 0.00 C ATOM 1402 C THR A 95 -12.946 2.417 -5.525 1.00 0.00 C ATOM 1403 O THR A 95 -13.327 3.545 -5.215 1.00 0.00 O ATOM 1404 CB THR A 95 -14.452 0.428 -5.582 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.448 -0.354 -4.927 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.322 -0.473 -6.445 1.00 0.00 C ATOM 0 H THR A 95 -12.548 0.071 -7.280 1.00 0.00 H new ATOM 0 HA THR A 95 -14.570 2.131 -6.904 1.00 0.00 H new ATOM 0 HB THR A 95 -15.083 0.907 -4.833 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.998 -0.925 -5.584 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.778 -1.243 -5.823 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.104 0.121 -6.918 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.709 -0.943 -7.214 1.00 0.00 H new ATOM 1414 N GLY A 96 -11.795 1.900 -5.106 1.00 0.00 N ATOM 1415 CA GLY A 96 -10.914 2.660 -4.238 1.00 0.00 C ATOM 1416 C GLY A 96 -10.989 2.207 -2.794 1.00 0.00 C ATOM 1417 O GLY A 96 -11.892 1.460 -2.417 1.00 0.00 O ATOM 0 H GLY A 96 -11.457 0.970 -5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -9.888 2.563 -4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -11.174 3.717 -4.298 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.037 2.659 -1.984 1.00 0.00 N ATOM 1422 CA ILE A 97 -9.999 2.295 -0.573 1.00 0.00 C ATOM 1423 C ILE A 97 -10.355 3.486 0.312 1.00 0.00 C ATOM 1424 O ILE A 97 -9.963 4.618 0.030 1.00 0.00 O ATOM 1425 CB ILE A 97 -8.613 1.763 -0.166 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.279 0.493 -0.952 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.568 1.492 1.331 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -6.839 0.052 -0.804 1.00 0.00 C ATOM 0 H ILE A 97 -9.282 3.278 -2.281 1.00 0.00 H new ATOM 0 HA ILE A 97 -10.738 1.506 -0.431 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.866 2.521 -0.401 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -8.933 -0.313 -0.620 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -8.492 0.662 -2.008 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.582 1.116 1.603 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -8.767 2.416 1.874 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.323 0.749 1.589 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.674 -0.854 -1.388 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.178 0.841 -1.163 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.626 -0.149 0.246 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.097 3.219 1.382 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.503 4.269 2.308 1.00 0.00 C ATOM 1442 C GLU A 98 -10.737 4.161 3.624 1.00 0.00 C ATOM 1443 O GLU A 98 -10.686 3.095 4.237 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.009 4.191 2.574 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.633 5.530 2.933 1.00 0.00 C ATOM 1446 CD GLU A 98 -13.014 6.149 4.171 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -12.935 5.456 5.206 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -12.607 7.328 4.103 1.00 0.00 O ATOM 0 H GLU A 98 -11.429 2.286 1.629 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.271 5.231 1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.506 3.794 1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.190 3.486 3.385 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.520 6.216 2.093 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -14.703 5.397 3.094 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.144 5.272 4.050 1.00 0.00 N ATOM 1456 CA GLU A 99 -9.380 5.301 5.292 1.00 0.00 C ATOM 1457 C GLU A 99 -10.222 5.858 6.435 1.00 0.00 C ATOM 1458 O GLU A 99 -10.963 6.825 6.262 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.115 6.143 5.117 1.00 0.00 C ATOM 1460 CG GLU A 99 -6.961 5.385 4.484 1.00 0.00 C ATOM 1461 CD GLU A 99 -5.743 6.259 4.257 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -4.981 6.477 5.224 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -5.550 6.725 3.115 1.00 0.00 O ATOM 0 H GLU A 99 -10.178 6.163 3.554 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.096 4.278 5.539 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.349 7.011 4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -7.801 6.518 6.091 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.687 4.546 5.124 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -7.285 4.966 3.531 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.102 5.240 7.607 1.00 0.00 N ATOM 1471 CA ALA A 100 -10.850 5.674 8.780 1.00 0.00 C ATOM 1472 C ALA A 100 -10.910 7.196 8.860 1.00 0.00 C ATOM 1473 O ALA A 100 -11.981 7.775 9.041 1.00 0.00 O ATOM 1474 CB ALA A 100 -10.228 5.101 10.043 1.00 0.00 C ATOM 0 H ALA A 100 -9.494 4.437 7.768 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.870 5.301 8.689 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -10.797 5.433 10.912 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.243 4.012 9.994 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.198 5.446 10.130 1.00 0.00 H new ATOM 1480 N SER A 101 -9.753 7.837 8.726 1.00 0.00 N ATOM 1481 CA SER A 101 -9.674 9.291 8.788 1.00 0.00 C ATOM 1482 C SER A 101 -10.735 9.932 7.898 1.00 0.00 C ATOM 1483 O SER A 101 -11.343 10.938 8.261 1.00 0.00 O ATOM 1484 CB SER A 101 -8.283 9.766 8.366 1.00 0.00 C ATOM 1485 OG SER A 101 -7.387 9.758 9.463 1.00 0.00 O ATOM 0 H SER A 101 -8.858 7.372 8.574 1.00 0.00 H new ATOM 0 HA SER A 101 -9.857 9.596 9.818 1.00 0.00 H new ATOM 0 HB2 SER A 101 -7.900 9.122 7.575 1.00 0.00 H new ATOM 0 HB3 SER A 101 -8.349 10.773 7.953 1.00 0.00 H new ATOM 0 HG SER A 101 -6.504 10.064 9.167 1.00 0.00 H new ATOM 1491 N GLY A 102 -10.951 9.341 6.727 1.00 0.00 N ATOM 1492 CA GLY A 102 -11.937 9.866 5.801 1.00 0.00 C ATOM 1493 C GLY A 102 -11.350 10.167 4.437 1.00 0.00 C ATOM 1494 O GLY A 102 -11.908 10.956 3.674 1.00 0.00 O ATOM 0 H GLY A 102 -10.460 8.507 6.403 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -12.748 9.146 5.693 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -12.371 10.776 6.215 1.00 0.00 H new ATOM 1498 N ALA A 103 -10.220 9.540 4.129 1.00 0.00 N ATOM 1499 CA ALA A 103 -9.556 9.745 2.848 1.00 0.00 C ATOM 1500 C ALA A 103 -9.934 8.653 1.853 1.00 0.00 C ATOM 1501 O ALA A 103 -10.593 7.676 2.209 1.00 0.00 O ATOM 1502 CB ALA A 103 -8.047 9.791 3.037 1.00 0.00 C ATOM 0 H ALA A 103 -9.745 8.885 4.750 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.889 10.700 2.443 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.564 9.945 2.072 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.789 10.611 3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.705 8.850 3.468 1.00 0.00 H new ATOM 1508 N PHE A 104 -9.513 8.825 0.604 1.00 0.00 N ATOM 1509 CA PHE A 104 -9.809 7.854 -0.444 1.00 0.00 C ATOM 1510 C PHE A 104 -8.561 7.546 -1.266 1.00 0.00 C ATOM 1511 O PHE A 104 -8.092 8.380 -2.040 1.00 0.00 O ATOM 1512 CB PHE A 104 -10.918 8.380 -1.356 1.00 0.00 C ATOM 1513 CG PHE A 104 -12.301 8.050 -0.870 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -12.890 6.836 -1.188 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -13.011 8.952 -0.095 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.162 6.530 -0.743 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -14.284 8.652 0.353 1.00 0.00 C ATOM 1518 CZ PHE A 104 -14.859 7.439 0.030 1.00 0.00 C ATOM 0 H PHE A 104 -8.966 9.628 0.293 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.146 6.933 0.031 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -10.821 9.462 -1.445 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.784 7.965 -2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.349 6.121 -1.790 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.565 9.901 0.162 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -14.611 5.582 -0.999 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -14.828 9.365 0.955 1.00 0.00 H new ATOM 0 HZ PHE A 104 -15.852 7.201 0.381 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.029 6.340 -1.091 1.00 0.00 N ATOM 1529 CA VAL A 105 -6.837 5.919 -1.817 1.00 0.00 C ATOM 1530 C VAL A 105 -7.202 5.299 -3.161 1.00 0.00 C ATOM 1531 O VAL A 105 -8.047 4.407 -3.237 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.013 4.904 -1.004 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -4.725 4.553 -1.733 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -5.717 5.449 0.385 1.00 0.00 C ATOM 0 H VAL A 105 -8.405 5.638 -0.453 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.236 6.813 -1.983 1.00 0.00 H new ATOM 0 HB VAL A 105 -6.600 3.992 -0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.157 3.834 -1.142 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.963 4.117 -2.703 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.131 5.455 -1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.134 4.719 0.946 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.151 6.376 0.299 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -6.654 5.643 0.907 1.00 0.00 H new ATOM 1544 N TYR A 106 -6.558 5.777 -4.221 1.00 0.00 N ATOM 1545 CA TYR A 106 -6.816 5.271 -5.564 1.00 0.00 C ATOM 1546 C TYR A 106 -5.572 4.607 -6.144 1.00 0.00 C ATOM 1547 O TYR A 106 -4.508 5.221 -6.229 1.00 0.00 O ATOM 1548 CB TYR A 106 -7.276 6.406 -6.479 1.00 0.00 C ATOM 1549 CG TYR A 106 -8.327 7.298 -5.857 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -9.533 6.776 -5.410 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -8.113 8.663 -5.718 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -10.497 7.587 -4.842 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -9.069 9.483 -5.148 1.00 0.00 C ATOM 1554 CZ TYR A 106 -10.260 8.940 -4.713 1.00 0.00 C ATOM 1555 OH TYR A 106 -11.215 9.751 -4.147 1.00 0.00 O ATOM 0 H TYR A 106 -5.854 6.514 -4.176 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.607 4.524 -5.498 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -6.413 7.013 -6.753 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -7.672 5.980 -7.401 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -9.721 5.717 -5.508 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -7.183 9.092 -6.061 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -11.430 7.164 -4.501 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -8.884 10.542 -5.044 1.00 0.00 H new ATOM 0 HH TYR A 106 -10.891 10.676 -4.130 1.00 0.00 H new ATOM 1565 N LEU A 107 -5.713 3.348 -6.545 1.00 0.00 N ATOM 1566 CA LEU A 107 -4.601 2.597 -7.118 1.00 0.00 C ATOM 1567 C LEU A 107 -4.650 2.633 -8.642 1.00 0.00 C ATOM 1568 O LEU A 107 -5.431 1.915 -9.266 1.00 0.00 O ATOM 1569 CB LEU A 107 -4.632 1.148 -6.630 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.151 0.930 -5.208 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -5.814 -0.433 -5.085 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.019 1.067 -4.200 1.00 0.00 C ATOM 0 H LEU A 107 -6.587 2.826 -6.484 1.00 0.00 H new ATOM 0 HA LEU A 107 -3.672 3.064 -6.790 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -5.251 0.568 -7.314 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -3.622 0.743 -6.693 1.00 0.00 H new ATOM 0 HG LEU A 107 -5.897 1.695 -4.993 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.177 -0.570 -4.066 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.651 -0.494 -5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.089 -1.213 -5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.407 0.909 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -3.250 0.325 -4.413 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.588 2.066 -4.270 1.00 0.00 H new ATOM 1584 N ARG A 108 -3.808 3.473 -9.237 1.00 0.00 N ATOM 1585 CA ARG A 108 -3.754 3.601 -10.688 1.00 0.00 C ATOM 1586 C ARG A 108 -2.377 3.212 -11.217 1.00 0.00 C ATOM 1587 O ARG A 108 -2.254 2.684 -12.321 1.00 0.00 O ATOM 1588 CB ARG A 108 -4.088 5.034 -11.107 1.00 0.00 C ATOM 1589 CG ARG A 108 -5.335 5.589 -10.438 1.00 0.00 C ATOM 1590 CD ARG A 108 -5.708 6.952 -11.000 1.00 0.00 C ATOM 1591 NE ARG A 108 -5.968 6.900 -12.436 1.00 0.00 N ATOM 1592 CZ ARG A 108 -6.525 7.894 -13.119 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -6.877 9.012 -12.500 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -6.729 7.771 -14.424 1.00 0.00 N ATOM 0 H ARG A 108 -3.154 4.075 -8.736 1.00 0.00 H new ATOM 0 HA ARG A 108 -4.493 2.923 -11.116 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -3.242 5.679 -10.871 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -4.221 5.066 -12.188 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -6.164 4.896 -10.580 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.168 5.670 -9.364 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.593 7.327 -10.485 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.901 7.658 -10.803 1.00 0.00 H new ATOM 0 HE ARG A 108 -5.708 6.054 -12.943 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -6.720 9.111 -11.497 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -7.304 9.774 -13.027 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -6.458 6.913 -14.904 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -7.157 8.535 -14.948 1.00 0.00 H new ATOM 1608 N GLN A 109 -1.346 3.479 -10.422 1.00 0.00 N ATOM 1609 CA GLN A 109 0.022 3.159 -10.811 1.00 0.00 C ATOM 1610 C GLN A 109 0.564 1.995 -9.987 1.00 0.00 C ATOM 1611 O GLN A 109 1.010 2.162 -8.852 1.00 0.00 O ATOM 1612 CB GLN A 109 0.923 4.383 -10.642 1.00 0.00 C ATOM 1613 CG GLN A 109 1.019 5.245 -11.891 1.00 0.00 C ATOM 1614 CD GLN A 109 1.245 6.709 -11.573 1.00 0.00 C ATOM 1615 OE1 GLN A 109 2.132 7.350 -12.139 1.00 0.00 O ATOM 1616 NE2 GLN A 109 0.444 7.249 -10.662 1.00 0.00 N ATOM 0 H GLN A 109 -1.432 3.916 -9.504 1.00 0.00 H new ATOM 0 HA GLN A 109 0.015 2.865 -11.861 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.546 4.991 -9.819 1.00 0.00 H new ATOM 0 HB3 GLN A 109 1.923 4.052 -10.361 1.00 0.00 H new ATOM 0 HG2 GLN A 109 1.835 4.883 -12.516 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.102 5.140 -12.471 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -0.278 6.682 -10.217 1.00 0.00 H new ATOM 0 HE22 GLN A 109 0.551 8.231 -10.407 1.00 0.00 H new ATOM 1625 N PRO A 110 0.526 0.788 -10.571 1.00 0.00 N ATOM 1626 CA PRO A 110 1.010 -0.427 -9.908 1.00 0.00 C ATOM 1627 C PRO A 110 2.527 -0.440 -9.757 1.00 0.00 C ATOM 1628 O PRO A 110 3.240 -0.976 -10.605 1.00 0.00 O ATOM 1629 CB PRO A 110 0.557 -1.547 -10.847 1.00 0.00 C ATOM 1630 CG PRO A 110 0.443 -0.899 -12.184 1.00 0.00 C ATOM 1631 CD PRO A 110 0.008 0.515 -11.922 1.00 0.00 C ATOM 0 HA PRO A 110 0.623 -0.519 -8.893 1.00 0.00 H new ATOM 0 HB2 PRO A 110 1.277 -2.365 -10.864 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -0.397 -1.969 -10.529 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.396 -0.923 -12.712 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -0.281 -1.420 -12.810 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.421 1.205 -12.658 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.076 0.616 -11.964 1.00 0.00 H new ATOM 1639 N TYR A 111 3.013 0.155 -8.673 1.00 0.00 N ATOM 1640 CA TYR A 111 4.447 0.213 -8.411 1.00 0.00 C ATOM 1641 C TYR A 111 5.119 -1.110 -8.766 1.00 0.00 C ATOM 1642 O TYR A 111 4.762 -2.163 -8.237 1.00 0.00 O ATOM 1643 CB TYR A 111 4.706 0.553 -6.943 1.00 0.00 C ATOM 1644 CG TYR A 111 6.085 1.115 -6.685 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.480 2.323 -7.247 1.00 0.00 C ATOM 1646 CD2 TYR A 111 6.994 0.439 -5.881 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.740 2.841 -7.016 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.256 0.949 -5.643 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.623 2.150 -6.212 1.00 0.00 C ATOM 1650 OH TYR A 111 9.879 2.661 -5.978 1.00 0.00 O ATOM 0 H TYR A 111 2.436 0.604 -7.962 1.00 0.00 H new ATOM 0 HA TYR A 111 4.874 0.996 -9.038 1.00 0.00 H new ATOM 0 HB2 TYR A 111 3.961 1.275 -6.609 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.571 -0.346 -6.341 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.790 2.867 -7.875 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.709 -0.502 -5.434 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.032 3.780 -7.462 1.00 0.00 H new ATOM 0 HE2 TYR A 111 8.950 0.410 -5.015 1.00 0.00 H new ATOM 0 HH TYR A 111 9.846 3.640 -6.013 1.00 0.00 H new ATOM 1660 N TYR A 112 6.097 -1.047 -9.664 1.00 0.00 N ATOM 1661 CA TYR A 112 6.819 -2.239 -10.091 1.00 0.00 C ATOM 1662 C TYR A 112 8.124 -2.392 -9.317 1.00 0.00 C ATOM 1663 O TYR A 112 8.634 -1.430 -8.740 1.00 0.00 O ATOM 1664 CB TYR A 112 7.108 -2.176 -11.592 1.00 0.00 C ATOM 1665 CG TYR A 112 5.866 -2.027 -12.442 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.363 -0.771 -12.758 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.197 -3.143 -12.929 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.228 -0.631 -13.533 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.062 -3.012 -13.707 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.582 -1.754 -14.005 1.00 0.00 C ATOM 1671 OH TYR A 112 2.452 -1.618 -14.779 1.00 0.00 O ATOM 0 H TYR A 112 6.407 -0.183 -10.110 1.00 0.00 H new ATOM 0 HA TYR A 112 6.191 -3.106 -9.885 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.776 -1.338 -11.790 1.00 0.00 H new ATOM 0 HB3 TYR A 112 7.636 -3.082 -11.890 1.00 0.00 H new ATOM 0 HD1 TYR A 112 5.868 0.111 -12.392 1.00 0.00 H new ATOM 0 HD2 TYR A 112 5.570 -4.129 -12.696 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.849 0.353 -13.768 1.00 0.00 H new ATOM 0 HE2 TYR A 112 3.554 -3.889 -14.079 1.00 0.00 H new ATOM 0 HH TYR A 112 2.119 -2.505 -15.031 1.00 0.00 H new ATOM 1871 N ALA B 9 -3.036 2.660 7.854 1.00 0.00 N ATOM 1872 CA ALA B 9 -4.155 3.487 7.418 1.00 0.00 C ATOM 1873 C ALA B 9 -5.339 3.356 8.369 1.00 0.00 C ATOM 1874 O ALA B 9 -5.923 4.354 8.789 1.00 0.00 O ATOM 1875 CB ALA B 9 -4.568 3.112 6.003 1.00 0.00 C ATOM 0 HA ALA B 9 -3.830 4.527 7.427 1.00 0.00 H new ATOM 0 HB1 ALA B 9 -5.404 3.737 5.690 1.00 0.00 H new ATOM 0 HB2 ALA B 9 -3.728 3.265 5.326 1.00 0.00 H new ATOM 0 HB3 ALA B 9 -4.869 2.065 5.977 1.00 0.00 H new ATOM 1881 N GLU B 10 -5.688 2.118 8.705 1.00 0.00 N ATOM 1882 CA GLU B 10 -6.804 1.857 9.606 1.00 0.00 C ATOM 1883 C GLU B 10 -8.137 2.119 8.911 1.00 0.00 C ATOM 1884 O GLU B 10 -8.961 2.894 9.396 1.00 0.00 O ATOM 1885 CB GLU B 10 -6.690 2.728 10.859 1.00 0.00 C ATOM 1886 CG GLU B 10 -7.371 2.130 12.079 1.00 0.00 C ATOM 1887 CD GLU B 10 -6.534 1.057 12.748 1.00 0.00 C ATOM 1888 OE1 GLU B 10 -5.291 1.168 12.714 1.00 0.00 O ATOM 1889 OE2 GLU B 10 -7.123 0.105 13.302 1.00 0.00 O ATOM 0 H GLU B 10 -5.214 1.281 8.367 1.00 0.00 H new ATOM 0 HA GLU B 10 -6.766 0.807 9.897 1.00 0.00 H new ATOM 0 HB2 GLU B 10 -5.636 2.890 11.084 1.00 0.00 H new ATOM 0 HB3 GLU B 10 -7.126 3.706 10.653 1.00 0.00 H new ATOM 0 HG2 GLU B 10 -7.581 2.922 12.798 1.00 0.00 H new ATOM 0 HG3 GLU B 10 -8.330 1.705 11.783 1.00 0.00 H new ATOM 1896 N LEU B 11 -8.341 1.466 7.772 1.00 0.00 N ATOM 1897 CA LEU B 11 -9.573 1.628 7.008 1.00 0.00 C ATOM 1898 C LEU B 11 -10.793 1.544 7.919 1.00 0.00 C ATOM 1899 O LEU B 11 -10.676 1.236 9.105 1.00 0.00 O ATOM 1900 CB LEU B 11 -9.664 0.560 5.916 1.00 0.00 C ATOM 1901 CG LEU B 11 -8.789 0.785 4.683 1.00 0.00 C ATOM 1902 CD1 LEU B 11 -7.526 1.545 5.056 1.00 0.00 C ATOM 1903 CD2 LEU B 11 -8.441 -0.543 4.025 1.00 0.00 C ATOM 0 H LEU B 11 -7.669 0.820 7.357 1.00 0.00 H new ATOM 0 HA LEU B 11 -9.556 2.614 6.543 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.399 -0.402 6.354 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -10.702 0.488 5.592 1.00 0.00 H new ATOM 0 HG LEU B 11 -9.351 1.385 3.967 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -6.916 1.696 4.166 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -7.795 2.513 5.479 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -6.960 0.972 5.791 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -7.818 -0.363 3.149 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -7.899 -1.169 4.734 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -9.357 -1.049 3.721 1.00 0.00 H new ATOM 1915 N ASN B 12 -11.966 1.818 7.357 1.00 0.00 N ATOM 1916 CA ASN B 12 -13.209 1.771 8.118 1.00 0.00 C ATOM 1917 C ASN B 12 -14.219 0.839 7.456 1.00 0.00 C ATOM 1918 O ASN B 12 -14.987 1.254 6.587 1.00 0.00 O ATOM 1919 CB ASN B 12 -13.804 3.175 8.249 1.00 0.00 C ATOM 1920 CG ASN B 12 -15.183 3.162 8.878 1.00 0.00 C ATOM 1921 OD1 ASN B 12 -15.832 2.119 8.957 1.00 0.00 O ATOM 1922 ND2 ASN B 12 -15.639 4.326 9.330 1.00 0.00 N ATOM 0 H ASN B 12 -12.082 2.075 6.377 1.00 0.00 H new ATOM 0 HA ASN B 12 -12.982 1.384 9.112 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -13.139 3.794 8.851 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -13.862 3.636 7.263 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -16.561 4.379 9.763 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -15.067 5.166 9.244 1.00 0.00 H new