USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 791 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 30 THR OG1 : rot 61:sc= -0.11 USER MOD Set 1.2: A 109 GLN : amide:sc= -0.334 K(o=-0.44,f=-3!) USER MOD Set 2.1: A 46 SER OG : rot -50:sc= 0.631 USER MOD Set 2.2: A 64 HIS : no HE2:sc= -2.11 X(o=-1.5,f=-1.4) USER MOD Set 3.1: A 10 HIS : no HD1:sc= 0.602 K(o=-0.12,f=-6.1!) USER MOD Set 3.2: A 13 MET CE :methyl -171:sc= -0.718 (180deg=-1.19) USER MOD Single : A 9 TYR OH : rot -0:sc= 0.533 USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.85! C(o=-1.8!,f=-2.4!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 103:sc= -2.07! USER MOD Single : A 49 SER OG : rot -28:sc= -0.064 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.068) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -37:sc= -0.524 USER MOD Single : A 63 THR OG1 : rot -132:sc= 0.823 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl -132:sc= -2.26! (180deg=-3.85!) USER MOD Single : A 69 CYS SG : rot 180:sc= -1.12 USER MOD Single : A 74 TYR OH : rot -58:sc= -0.516! USER MOD Single : A 75 THR OG1 : rot 114:sc= 1.09 USER MOD Single : A 81 THR OG1 : rot -144:sc= -0.367 USER MOD Single : A 84 SER OG : rot 180:sc= 0.00819 USER MOD Single : A 86 THR OG1 : rot -30:sc= 0.00529 USER MOD Single : A 91 HIS :FLIP no HD1:sc= -1 F(o=-2,f=-1) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot -110:sc= 0.527 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 111 TYR OH : rot 70:sc= -0.422 USER MOD Single : A 112 TYR OH : rot 180:sc= -0.97 USER MOD Single : B 9 SER OG : rot -137:sc=0.000771 USER MOD Single : B 12 ASN : amide:sc= 0 X(o=0,f=-0.0052) USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 4.706 -5.035 -13.246 1.00 0.00 N ATOM 60 CA GLY A 7 4.052 -5.382 -11.997 1.00 0.00 C ATOM 61 C GLY A 7 4.261 -4.332 -10.923 1.00 0.00 C ATOM 62 O GLY A 7 5.073 -3.421 -11.086 1.00 0.00 O ATOM 0 HA2 GLY A 7 2.984 -5.510 -12.173 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.434 -6.340 -11.644 1.00 0.00 H new ATOM 66 N TRP A 8 3.526 -4.459 -9.824 1.00 0.00 N ATOM 67 CA TRP A 8 3.634 -3.512 -8.720 1.00 0.00 C ATOM 68 C TRP A 8 4.198 -4.190 -7.476 1.00 0.00 C ATOM 69 O TRP A 8 3.901 -3.789 -6.350 1.00 0.00 O ATOM 70 CB TRP A 8 2.266 -2.903 -8.407 1.00 0.00 C ATOM 71 CG TRP A 8 1.121 -3.801 -8.765 1.00 0.00 C ATOM 72 CD1 TRP A 8 0.101 -3.523 -9.629 1.00 0.00 C ATOM 73 CD2 TRP A 8 0.878 -5.120 -8.265 1.00 0.00 C ATOM 74 NE1 TRP A 8 -0.762 -4.591 -9.696 1.00 0.00 N ATOM 75 CE2 TRP A 8 -0.306 -5.584 -8.869 1.00 0.00 C ATOM 76 CE3 TRP A 8 1.547 -5.956 -7.367 1.00 0.00 C ATOM 77 CZ2 TRP A 8 -0.834 -6.844 -8.603 1.00 0.00 C ATOM 78 CZ3 TRP A 8 1.022 -7.208 -7.103 1.00 0.00 C ATOM 79 CH2 TRP A 8 -0.158 -7.642 -7.719 1.00 0.00 C ATOM 0 H TRP A 8 2.850 -5.207 -9.674 1.00 0.00 H new ATOM 0 HA TRP A 8 4.317 -2.718 -9.021 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.215 -2.668 -7.344 1.00 0.00 H new ATOM 0 HB3 TRP A 8 2.163 -1.962 -8.947 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.011 -2.600 -10.179 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.605 -4.637 -10.268 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.458 -5.630 -6.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.744 -7.180 -9.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.531 -7.862 -6.410 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.543 -8.625 -7.493 1.00 0.00 H new ATOM 90 N TYR A 9 5.014 -5.217 -7.685 1.00 0.00 N ATOM 91 CA TYR A 9 5.618 -5.951 -6.580 1.00 0.00 C ATOM 92 C TYR A 9 7.075 -5.541 -6.386 1.00 0.00 C ATOM 93 O TYR A 9 7.849 -5.480 -7.343 1.00 0.00 O ATOM 94 CB TYR A 9 5.530 -7.457 -6.831 1.00 0.00 C ATOM 95 CG TYR A 9 5.510 -8.283 -5.565 1.00 0.00 C ATOM 96 CD1 TYR A 9 4.336 -8.450 -4.841 1.00 0.00 C ATOM 97 CD2 TYR A 9 6.664 -8.893 -5.092 1.00 0.00 C ATOM 98 CE1 TYR A 9 4.311 -9.203 -3.683 1.00 0.00 C ATOM 99 CE2 TYR A 9 6.650 -9.648 -3.934 1.00 0.00 C ATOM 100 CZ TYR A 9 5.471 -9.801 -3.235 1.00 0.00 C ATOM 101 OH TYR A 9 5.453 -10.551 -2.080 1.00 0.00 O ATOM 0 H TYR A 9 5.272 -5.560 -8.610 1.00 0.00 H new ATOM 0 HA TYR A 9 5.066 -5.708 -5.672 1.00 0.00 H new ATOM 0 HB2 TYR A 9 4.629 -7.669 -7.407 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.378 -7.765 -7.442 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.427 -7.983 -5.190 1.00 0.00 H new ATOM 0 HD2 TYR A 9 7.588 -8.776 -5.638 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.390 -9.323 -3.132 1.00 0.00 H new ATOM 0 HE2 TYR A 9 7.557 -10.115 -3.579 1.00 0.00 H new ATOM 0 HH TYR A 9 4.548 -10.553 -1.705 1.00 0.00 H new ATOM 111 N HIS A 10 7.443 -5.262 -5.140 1.00 0.00 N ATOM 112 CA HIS A 10 8.807 -4.859 -4.817 1.00 0.00 C ATOM 113 C HIS A 10 9.508 -5.930 -3.986 1.00 0.00 C ATOM 114 O HIS A 10 10.551 -6.451 -4.378 1.00 0.00 O ATOM 115 CB HIS A 10 8.804 -3.531 -4.061 1.00 0.00 C ATOM 116 CG HIS A 10 8.275 -2.384 -4.867 1.00 0.00 C ATOM 117 ND1 HIS A 10 9.076 -1.376 -5.359 1.00 0.00 N ATOM 118 CD2 HIS A 10 7.015 -2.090 -5.266 1.00 0.00 C ATOM 119 CE1 HIS A 10 8.334 -0.512 -6.025 1.00 0.00 C ATOM 120 NE2 HIS A 10 7.079 -0.921 -5.985 1.00 0.00 N ATOM 0 H HIS A 10 6.816 -5.308 -4.337 1.00 0.00 H new ATOM 0 HA HIS A 10 9.353 -4.734 -5.752 1.00 0.00 H new ATOM 0 HB2 HIS A 10 8.203 -3.638 -3.158 1.00 0.00 H new ATOM 0 HB3 HIS A 10 9.821 -3.302 -3.742 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.126 -2.667 -5.058 1.00 0.00 H new ATOM 0 HE1 HIS A 10 8.692 0.379 -6.519 1.00 0.00 H new ATOM 0 HE2 HIS A 10 6.286 -0.446 -6.417 1.00 0.00 H new ATOM 129 N GLY A 11 8.928 -6.252 -2.834 1.00 0.00 N ATOM 130 CA GLY A 11 9.510 -7.258 -1.966 1.00 0.00 C ATOM 131 C GLY A 11 10.034 -6.672 -0.669 1.00 0.00 C ATOM 132 O GLY A 11 9.300 -6.001 0.059 1.00 0.00 O ATOM 0 H GLY A 11 8.065 -5.834 -2.486 1.00 0.00 H new ATOM 0 HA2 GLY A 11 8.761 -8.017 -1.742 1.00 0.00 H new ATOM 0 HA3 GLY A 11 10.324 -7.759 -2.490 1.00 0.00 H new ATOM 136 N HIS A 12 11.306 -6.924 -0.378 1.00 0.00 N ATOM 137 CA HIS A 12 11.926 -6.418 0.841 1.00 0.00 C ATOM 138 C HIS A 12 11.827 -4.897 0.910 1.00 0.00 C ATOM 139 O HIS A 12 12.558 -4.186 0.221 1.00 0.00 O ATOM 140 CB HIS A 12 13.392 -6.848 0.910 1.00 0.00 C ATOM 141 CG HIS A 12 13.578 -8.283 1.295 1.00 0.00 C ATOM 142 ND1 HIS A 12 14.058 -8.675 2.527 1.00 0.00 N ATOM 143 CD2 HIS A 12 13.343 -9.423 0.605 1.00 0.00 C ATOM 144 CE1 HIS A 12 14.112 -9.993 2.577 1.00 0.00 C ATOM 145 NE2 HIS A 12 13.683 -10.472 1.423 1.00 0.00 N ATOM 0 H HIS A 12 11.927 -7.476 -0.970 1.00 0.00 H new ATOM 0 HA HIS A 12 11.391 -6.839 1.692 1.00 0.00 H new ATOM 0 HB2 HIS A 12 13.858 -6.677 -0.060 1.00 0.00 H new ATOM 0 HB3 HIS A 12 13.914 -6.217 1.629 1.00 0.00 H new ATOM 0 HD2 HIS A 12 12.959 -9.494 -0.402 1.00 0.00 H new ATOM 0 HE1 HIS A 12 14.450 -10.580 3.418 1.00 0.00 H new ATOM 0 HE2 HIS A 12 13.615 -11.460 1.179 1.00 0.00 H new ATOM 154 N MET A 13 10.916 -4.405 1.743 1.00 0.00 N ATOM 155 CA MET A 13 10.722 -2.968 1.901 1.00 0.00 C ATOM 156 C MET A 13 10.180 -2.642 3.289 1.00 0.00 C ATOM 157 O MET A 13 9.058 -3.017 3.632 1.00 0.00 O ATOM 158 CB MET A 13 9.764 -2.441 0.830 1.00 0.00 C ATOM 159 CG MET A 13 9.588 -0.932 0.863 1.00 0.00 C ATOM 160 SD MET A 13 8.544 -0.325 -0.476 1.00 0.00 S ATOM 161 CE MET A 13 9.673 -0.439 -1.863 1.00 0.00 C ATOM 0 H MET A 13 10.301 -4.980 2.319 1.00 0.00 H new ATOM 0 HA MET A 13 11.690 -2.481 1.785 1.00 0.00 H new ATOM 0 HB2 MET A 13 10.134 -2.734 -0.153 1.00 0.00 H new ATOM 0 HB3 MET A 13 8.791 -2.915 0.959 1.00 0.00 H new ATOM 0 HG2 MET A 13 9.152 -0.642 1.819 1.00 0.00 H new ATOM 0 HG3 MET A 13 10.566 -0.455 0.801 1.00 0.00 H new ATOM 0 HE1 MET A 13 9.232 0.048 -2.732 1.00 0.00 H new ATOM 0 HE2 MET A 13 10.612 0.053 -1.609 1.00 0.00 H new ATOM 0 HE3 MET A 13 9.863 -1.488 -2.092 1.00 0.00 H new ATOM 171 N SER A 14 10.983 -1.943 4.084 1.00 0.00 N ATOM 172 CA SER A 14 10.585 -1.570 5.436 1.00 0.00 C ATOM 173 C SER A 14 9.523 -0.476 5.408 1.00 0.00 C ATOM 174 O SER A 14 9.501 0.361 4.506 1.00 0.00 O ATOM 175 CB SER A 14 11.801 -1.096 6.236 1.00 0.00 C ATOM 176 OG SER A 14 11.461 -0.866 7.593 1.00 0.00 O ATOM 0 H SER A 14 11.914 -1.623 3.815 1.00 0.00 H new ATOM 0 HA SER A 14 10.161 -2.451 5.919 1.00 0.00 H new ATOM 0 HB2 SER A 14 12.592 -1.843 6.178 1.00 0.00 H new ATOM 0 HB3 SER A 14 12.195 -0.180 5.796 1.00 0.00 H new ATOM 0 HG SER A 14 12.255 -0.566 8.083 1.00 0.00 H new ATOM 182 N GLY A 15 8.642 -0.489 6.403 1.00 0.00 N ATOM 183 CA GLY A 15 7.588 0.506 6.474 1.00 0.00 C ATOM 184 C GLY A 15 8.100 1.911 6.226 1.00 0.00 C ATOM 185 O GLY A 15 7.646 2.590 5.305 1.00 0.00 O ATOM 0 H GLY A 15 8.639 -1.171 7.162 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.818 0.268 5.740 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.117 0.462 7.456 1.00 0.00 H new ATOM 189 N GLY A 16 9.046 2.350 7.050 1.00 0.00 N ATOM 190 CA GLY A 16 9.602 3.682 6.900 1.00 0.00 C ATOM 191 C GLY A 16 10.107 3.944 5.494 1.00 0.00 C ATOM 192 O GLY A 16 10.039 5.071 5.005 1.00 0.00 O ATOM 0 H GLY A 16 9.438 1.807 7.819 1.00 0.00 H new ATOM 0 HA2 GLY A 16 8.841 4.421 7.153 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.421 3.812 7.607 1.00 0.00 H new ATOM 196 N GLN A 17 10.616 2.900 4.846 1.00 0.00 N ATOM 197 CA GLN A 17 11.135 3.024 3.490 1.00 0.00 C ATOM 198 C GLN A 17 10.023 3.384 2.510 1.00 0.00 C ATOM 199 O GLN A 17 10.024 4.468 1.926 1.00 0.00 O ATOM 200 CB GLN A 17 11.810 1.722 3.058 1.00 0.00 C ATOM 201 CG GLN A 17 12.861 1.909 1.976 1.00 0.00 C ATOM 202 CD GLN A 17 13.940 0.844 2.019 1.00 0.00 C ATOM 203 OE1 GLN A 17 14.758 0.810 2.938 1.00 0.00 O ATOM 204 NE2 GLN A 17 13.945 -0.034 1.024 1.00 0.00 N ATOM 0 H GLN A 17 10.680 1.961 5.238 1.00 0.00 H new ATOM 0 HA GLN A 17 11.872 3.827 3.484 1.00 0.00 H new ATOM 0 HB2 GLN A 17 12.275 1.258 3.928 1.00 0.00 H new ATOM 0 HB3 GLN A 17 11.049 1.031 2.697 1.00 0.00 H new ATOM 0 HG2 GLN A 17 12.378 1.892 0.999 1.00 0.00 H new ATOM 0 HG3 GLN A 17 13.321 2.891 2.087 1.00 0.00 H new ATOM 0 HE21 GLN A 17 13.248 0.032 0.282 1.00 0.00 H new ATOM 0 HE22 GLN A 17 14.646 -0.775 1.001 1.00 0.00 H new ATOM 213 N ALA A 18 9.076 2.468 2.337 1.00 0.00 N ATOM 214 CA ALA A 18 7.957 2.690 1.430 1.00 0.00 C ATOM 215 C ALA A 18 7.529 4.154 1.433 1.00 0.00 C ATOM 216 O ALA A 18 7.355 4.761 0.378 1.00 0.00 O ATOM 217 CB ALA A 18 6.785 1.795 1.808 1.00 0.00 C ATOM 0 H ALA A 18 9.061 1.566 2.813 1.00 0.00 H new ATOM 0 HA ALA A 18 8.284 2.436 0.422 1.00 0.00 H new ATOM 0 HB1 ALA A 18 5.956 1.972 1.122 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.090 0.750 1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.468 2.021 2.826 1.00 0.00 H new ATOM 223 N GLU A 19 7.359 4.713 2.627 1.00 0.00 N ATOM 224 CA GLU A 19 6.949 6.106 2.766 1.00 0.00 C ATOM 225 C GLU A 19 7.853 7.023 1.947 1.00 0.00 C ATOM 226 O GLU A 19 7.376 7.879 1.200 1.00 0.00 O ATOM 227 CB GLU A 19 6.978 6.524 4.238 1.00 0.00 C ATOM 228 CG GLU A 19 5.658 6.306 4.958 1.00 0.00 C ATOM 229 CD GLU A 19 5.642 6.922 6.344 1.00 0.00 C ATOM 230 OE1 GLU A 19 5.265 8.107 6.463 1.00 0.00 O ATOM 231 OE2 GLU A 19 6.004 6.218 7.310 1.00 0.00 O ATOM 0 H GLU A 19 7.499 4.224 3.511 1.00 0.00 H new ATOM 0 HA GLU A 19 5.930 6.198 2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.759 5.963 4.751 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.248 7.578 4.303 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.850 6.734 4.365 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.464 5.236 5.037 1.00 0.00 H new ATOM 238 N THR A 20 9.161 6.839 2.094 1.00 0.00 N ATOM 239 CA THR A 20 10.132 7.649 1.370 1.00 0.00 C ATOM 240 C THR A 20 9.944 7.519 -0.137 1.00 0.00 C ATOM 241 O THR A 20 9.796 8.518 -0.844 1.00 0.00 O ATOM 242 CB THR A 20 11.577 7.253 1.732 1.00 0.00 C ATOM 243 OG1 THR A 20 11.776 7.365 3.145 1.00 0.00 O ATOM 244 CG2 THR A 20 12.579 8.134 1.002 1.00 0.00 C ATOM 0 H THR A 20 9.572 6.136 2.708 1.00 0.00 H new ATOM 0 HA THR A 20 9.962 8.684 1.666 1.00 0.00 H new ATOM 0 HB THR A 20 11.735 6.219 1.424 1.00 0.00 H new ATOM 0 HG1 THR A 20 12.696 7.110 3.367 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.592 7.835 1.274 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.444 8.024 -0.074 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.420 9.175 1.283 1.00 0.00 H new ATOM 252 N LEU A 21 9.950 6.283 -0.624 1.00 0.00 N ATOM 253 CA LEU A 21 9.778 6.022 -2.049 1.00 0.00 C ATOM 254 C LEU A 21 8.484 6.644 -2.565 1.00 0.00 C ATOM 255 O LEU A 21 8.474 7.311 -3.601 1.00 0.00 O ATOM 256 CB LEU A 21 9.774 4.516 -2.314 1.00 0.00 C ATOM 257 CG LEU A 21 11.015 3.750 -1.855 1.00 0.00 C ATOM 258 CD1 LEU A 21 10.849 3.275 -0.420 1.00 0.00 C ATOM 259 CD2 LEU A 21 11.289 2.573 -2.780 1.00 0.00 C ATOM 0 H LEU A 21 10.072 5.446 -0.054 1.00 0.00 H new ATOM 0 HA LEU A 21 10.614 6.477 -2.580 1.00 0.00 H new ATOM 0 HB2 LEU A 21 8.902 4.083 -1.823 1.00 0.00 H new ATOM 0 HB3 LEU A 21 9.649 4.356 -3.385 1.00 0.00 H new ATOM 0 HG LEU A 21 11.870 4.425 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 21 11.742 2.732 -0.111 1.00 0.00 H new ATOM 0 HD12 LEU A 21 10.703 4.135 0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 21 9.983 2.617 -0.352 1.00 0.00 H new ATOM 0 HD21 LEU A 21 12.176 2.040 -2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.434 1.897 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 21 11.454 2.938 -3.794 1.00 0.00 H new ATOM 271 N LEU A 22 7.396 6.424 -1.836 1.00 0.00 N ATOM 272 CA LEU A 22 6.096 6.964 -2.218 1.00 0.00 C ATOM 273 C LEU A 22 6.088 8.486 -2.113 1.00 0.00 C ATOM 274 O LEU A 22 5.991 9.186 -3.121 1.00 0.00 O ATOM 275 CB LEU A 22 4.996 6.374 -1.334 1.00 0.00 C ATOM 276 CG LEU A 22 4.555 4.950 -1.673 1.00 0.00 C ATOM 277 CD1 LEU A 22 3.735 4.360 -0.536 1.00 0.00 C ATOM 278 CD2 LEU A 22 3.760 4.933 -2.971 1.00 0.00 C ATOM 0 H LEU A 22 7.388 5.875 -0.976 1.00 0.00 H new ATOM 0 HA LEU A 22 5.906 6.688 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.341 6.390 -0.300 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.124 7.026 -1.389 1.00 0.00 H new ATOM 0 HG LEU A 22 5.446 4.336 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.430 3.346 -0.795 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.337 4.337 0.373 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.850 4.974 -0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.454 3.911 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.876 5.561 -2.864 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.380 5.314 -3.782 1.00 0.00 H new ATOM 290 N GLN A 23 6.191 8.990 -0.888 1.00 0.00 N ATOM 291 CA GLN A 23 6.196 10.429 -0.652 1.00 0.00 C ATOM 292 C GLN A 23 7.068 11.145 -1.678 1.00 0.00 C ATOM 293 O GLN A 23 6.695 12.197 -2.197 1.00 0.00 O ATOM 294 CB GLN A 23 6.696 10.734 0.762 1.00 0.00 C ATOM 295 CG GLN A 23 5.683 10.410 1.848 1.00 0.00 C ATOM 296 CD GLN A 23 6.144 10.849 3.224 1.00 0.00 C ATOM 297 OE1 GLN A 23 7.338 11.025 3.465 1.00 0.00 O ATOM 298 NE2 GLN A 23 5.195 11.028 4.136 1.00 0.00 N ATOM 0 H GLN A 23 6.272 8.424 -0.044 1.00 0.00 H new ATOM 0 HA GLN A 23 5.173 10.792 -0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 23 7.608 10.166 0.946 1.00 0.00 H new ATOM 0 HB3 GLN A 23 6.959 11.790 0.826 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.736 10.897 1.614 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.496 9.336 1.857 1.00 0.00 H new ATOM 0 HE21 GLN A 23 4.217 10.870 3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 23 5.444 11.323 5.080 1.00 0.00 H new ATOM 307 N ALA A 24 8.230 10.569 -1.965 1.00 0.00 N ATOM 308 CA ALA A 24 9.154 11.152 -2.929 1.00 0.00 C ATOM 309 C ALA A 24 8.517 11.244 -4.313 1.00 0.00 C ATOM 310 O ALA A 24 8.751 12.200 -5.052 1.00 0.00 O ATOM 311 CB ALA A 24 10.437 10.337 -2.990 1.00 0.00 C ATOM 0 H ALA A 24 8.554 9.699 -1.543 1.00 0.00 H new ATOM 0 HA ALA A 24 9.394 12.163 -2.600 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.118 10.784 -3.714 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.908 10.326 -2.007 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.205 9.316 -3.292 1.00 0.00 H new ATOM 317 N LYS A 25 7.712 10.245 -4.656 1.00 0.00 N ATOM 318 CA LYS A 25 7.041 10.213 -5.950 1.00 0.00 C ATOM 319 C LYS A 25 6.105 11.407 -6.107 1.00 0.00 C ATOM 320 O LYS A 25 5.947 11.944 -7.202 1.00 0.00 O ATOM 321 CB LYS A 25 6.253 8.910 -6.107 1.00 0.00 C ATOM 322 CG LYS A 25 5.418 8.853 -7.375 1.00 0.00 C ATOM 323 CD LYS A 25 6.224 8.324 -8.549 1.00 0.00 C ATOM 324 CE LYS A 25 6.912 9.451 -9.305 1.00 0.00 C ATOM 325 NZ LYS A 25 8.186 9.002 -9.931 1.00 0.00 N ATOM 0 H LYS A 25 7.508 9.446 -4.056 1.00 0.00 H new ATOM 0 HA LYS A 25 7.803 10.266 -6.728 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.949 8.071 -6.102 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.598 8.785 -5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.550 8.215 -7.212 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.042 9.849 -7.610 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.971 7.616 -8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.567 7.778 -9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.243 9.832 -10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.114 10.276 -8.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.624 9.798 -10.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.835 8.662 -9.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 7.991 8.232 -10.602 1.00 0.00 H new ATOM 339 N GLY A 26 5.488 11.819 -5.004 1.00 0.00 N ATOM 340 CA GLY A 26 4.577 12.947 -5.041 1.00 0.00 C ATOM 341 C GLY A 26 3.389 12.704 -5.951 1.00 0.00 C ATOM 342 O GLY A 26 2.908 13.624 -6.612 1.00 0.00 O ATOM 0 H GLY A 26 5.603 11.391 -4.085 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.221 13.156 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.114 13.833 -5.379 1.00 0.00 H new ATOM 346 N GLU A 27 2.917 11.463 -5.986 1.00 0.00 N ATOM 347 CA GLU A 27 1.779 11.101 -6.824 1.00 0.00 C ATOM 348 C GLU A 27 0.644 10.527 -5.982 1.00 0.00 C ATOM 349 O GLU A 27 0.804 9.530 -5.278 1.00 0.00 O ATOM 350 CB GLU A 27 2.205 10.088 -7.889 1.00 0.00 C ATOM 351 CG GLU A 27 2.759 10.727 -9.151 1.00 0.00 C ATOM 352 CD GLU A 27 1.683 11.021 -10.179 1.00 0.00 C ATOM 353 OE1 GLU A 27 0.797 11.853 -9.889 1.00 0.00 O ATOM 354 OE2 GLU A 27 1.727 10.419 -11.271 1.00 0.00 O ATOM 0 H GLU A 27 3.304 10.691 -5.444 1.00 0.00 H new ATOM 0 HA GLU A 27 1.420 12.005 -7.316 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.960 9.425 -7.466 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.348 9.468 -8.152 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.269 11.654 -8.890 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.505 10.065 -9.591 1.00 0.00 H new ATOM 361 N PRO A 28 -0.531 11.169 -6.056 1.00 0.00 N ATOM 362 CA PRO A 28 -1.717 10.739 -5.309 1.00 0.00 C ATOM 363 C PRO A 28 -2.289 9.428 -5.834 1.00 0.00 C ATOM 364 O PRO A 28 -2.295 9.180 -7.040 1.00 0.00 O ATOM 365 CB PRO A 28 -2.709 11.883 -5.531 1.00 0.00 C ATOM 366 CG PRO A 28 -2.288 12.505 -6.817 1.00 0.00 C ATOM 367 CD PRO A 28 -0.793 12.363 -6.877 1.00 0.00 C ATOM 0 HA PRO A 28 -1.492 10.550 -4.260 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.733 11.514 -5.586 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.673 12.602 -4.713 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.761 12.008 -7.664 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.582 13.554 -6.858 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.443 12.232 -7.901 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.289 13.243 -6.478 1.00 0.00 H new ATOM 375 N TRP A 29 -2.770 8.591 -4.922 1.00 0.00 N ATOM 376 CA TRP A 29 -3.346 7.303 -5.294 1.00 0.00 C ATOM 377 C TRP A 29 -2.275 6.364 -5.839 1.00 0.00 C ATOM 378 O TRP A 29 -2.546 5.530 -6.702 1.00 0.00 O ATOM 379 CB TRP A 29 -4.450 7.497 -6.335 1.00 0.00 C ATOM 380 CG TRP A 29 -5.323 8.683 -6.061 1.00 0.00 C ATOM 381 CD1 TRP A 29 -5.733 9.624 -6.962 1.00 0.00 C ATOM 382 CD2 TRP A 29 -5.892 9.056 -4.801 1.00 0.00 C ATOM 383 NE1 TRP A 29 -6.523 10.559 -6.338 1.00 0.00 N ATOM 384 CE2 TRP A 29 -6.636 10.233 -5.012 1.00 0.00 C ATOM 385 CE3 TRP A 29 -5.847 8.508 -3.517 1.00 0.00 C ATOM 386 CZ2 TRP A 29 -7.327 10.870 -3.985 1.00 0.00 C ATOM 387 CZ3 TRP A 29 -6.532 9.142 -2.498 1.00 0.00 C ATOM 388 CH2 TRP A 29 -7.266 10.312 -2.737 1.00 0.00 C ATOM 0 H TRP A 29 -2.773 8.781 -3.920 1.00 0.00 H new ATOM 0 HA TRP A 29 -3.775 6.853 -4.399 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -3.996 7.609 -7.319 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -5.068 6.600 -6.370 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -5.474 9.632 -8.011 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -6.955 11.365 -6.789 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.287 7.605 -3.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.891 11.773 -4.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -6.501 8.729 -1.501 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.794 10.782 -1.920 1.00 0.00 H new ATOM 399 N THR A 30 -1.055 6.506 -5.330 1.00 0.00 N ATOM 400 CA THR A 30 0.057 5.672 -5.766 1.00 0.00 C ATOM 401 C THR A 30 0.240 4.472 -4.844 1.00 0.00 C ATOM 402 O THR A 30 0.842 4.584 -3.775 1.00 0.00 O ATOM 403 CB THR A 30 1.374 6.471 -5.817 1.00 0.00 C ATOM 404 OG1 THR A 30 1.239 7.579 -6.714 1.00 0.00 O ATOM 405 CG2 THR A 30 2.527 5.586 -6.264 1.00 0.00 C ATOM 0 H THR A 30 -0.813 7.192 -4.615 1.00 0.00 H new ATOM 0 HA THR A 30 -0.186 5.322 -6.769 1.00 0.00 H new ATOM 0 HB THR A 30 1.589 6.840 -4.814 1.00 0.00 H new ATOM 0 HG1 THR A 30 0.523 8.169 -6.399 1.00 0.00 H new ATOM 0 HG21 THR A 30 3.446 6.172 -6.292 1.00 0.00 H new ATOM 0 HG22 THR A 30 2.645 4.760 -5.563 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.318 5.191 -7.258 1.00 0.00 H new ATOM 413 N PHE A 31 -0.282 3.324 -5.263 1.00 0.00 N ATOM 414 CA PHE A 31 -0.178 2.103 -4.474 1.00 0.00 C ATOM 415 C PHE A 31 1.075 1.317 -4.851 1.00 0.00 C ATOM 416 O PHE A 31 1.704 1.586 -5.875 1.00 0.00 O ATOM 417 CB PHE A 31 -1.420 1.233 -4.674 1.00 0.00 C ATOM 418 CG PHE A 31 -1.433 0.499 -5.984 1.00 0.00 C ATOM 419 CD1 PHE A 31 -1.967 1.088 -7.117 1.00 0.00 C ATOM 420 CD2 PHE A 31 -0.911 -0.782 -6.081 1.00 0.00 C ATOM 421 CE1 PHE A 31 -1.981 0.416 -8.326 1.00 0.00 C ATOM 422 CE2 PHE A 31 -0.921 -1.459 -7.286 1.00 0.00 C ATOM 423 CZ PHE A 31 -1.458 -0.860 -8.409 1.00 0.00 C ATOM 0 H PHE A 31 -0.782 3.214 -6.145 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.107 2.384 -3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.482 0.510 -3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -2.308 1.862 -4.610 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.378 2.085 -7.056 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -0.492 -1.256 -5.206 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.400 0.888 -9.203 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.509 -2.455 -7.350 1.00 0.00 H new ATOM 0 HZ PHE A 31 -1.469 -1.389 -9.351 1.00 0.00 H new ATOM 433 N LEU A 32 1.430 0.344 -4.019 1.00 0.00 N ATOM 434 CA LEU A 32 2.606 -0.481 -4.264 1.00 0.00 C ATOM 435 C LEU A 32 2.619 -1.698 -3.345 1.00 0.00 C ATOM 436 O LEU A 32 2.411 -1.580 -2.137 1.00 0.00 O ATOM 437 CB LEU A 32 3.881 0.339 -4.061 1.00 0.00 C ATOM 438 CG LEU A 32 4.386 0.449 -2.621 1.00 0.00 C ATOM 439 CD1 LEU A 32 5.182 -0.790 -2.239 1.00 0.00 C ATOM 440 CD2 LEU A 32 5.230 1.703 -2.446 1.00 0.00 C ATOM 0 H LEU A 32 0.919 0.108 -3.168 1.00 0.00 H new ATOM 0 HA LEU A 32 2.566 -0.829 -5.296 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.672 -0.099 -4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.706 1.345 -4.442 1.00 0.00 H new ATOM 0 HG LEU A 32 3.524 0.521 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.533 -0.694 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.547 -1.671 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.037 -0.893 -2.907 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.581 1.765 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.086 1.662 -3.119 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.628 2.582 -2.678 1.00 0.00 H new ATOM 452 N VAL A 33 2.866 -2.869 -3.925 1.00 0.00 N ATOM 453 CA VAL A 33 2.909 -4.108 -3.157 1.00 0.00 C ATOM 454 C VAL A 33 4.331 -4.429 -2.712 1.00 0.00 C ATOM 455 O VAL A 33 5.264 -4.403 -3.515 1.00 0.00 O ATOM 456 CB VAL A 33 2.358 -5.292 -3.973 1.00 0.00 C ATOM 457 CG1 VAL A 33 2.318 -6.554 -3.123 1.00 0.00 C ATOM 458 CG2 VAL A 33 0.977 -4.966 -4.521 1.00 0.00 C ATOM 0 H VAL A 33 3.039 -2.985 -4.923 1.00 0.00 H new ATOM 0 HA VAL A 33 2.282 -3.959 -2.278 1.00 0.00 H new ATOM 0 HB VAL A 33 3.025 -5.470 -4.816 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.926 -7.380 -3.716 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.325 -6.797 -2.784 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.674 -6.390 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 33 0.604 -5.814 -5.095 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.297 -4.760 -3.695 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.039 -4.090 -5.167 1.00 0.00 H new ATOM 468 N ARG A 34 4.489 -4.733 -1.427 1.00 0.00 N ATOM 469 CA ARG A 34 5.798 -5.059 -0.876 1.00 0.00 C ATOM 470 C ARG A 34 5.684 -6.154 0.182 1.00 0.00 C ATOM 471 O ARG A 34 4.684 -6.240 0.894 1.00 0.00 O ATOM 472 CB ARG A 34 6.444 -3.812 -0.267 1.00 0.00 C ATOM 473 CG ARG A 34 5.655 -3.221 0.889 1.00 0.00 C ATOM 474 CD ARG A 34 6.169 -1.840 1.266 1.00 0.00 C ATOM 475 NE ARG A 34 5.322 -1.194 2.265 1.00 0.00 N ATOM 476 CZ ARG A 34 5.255 -1.583 3.534 1.00 0.00 C ATOM 477 NH1 ARG A 34 5.981 -2.608 3.956 1.00 0.00 N ATOM 478 NH2 ARG A 34 4.460 -0.944 4.384 1.00 0.00 N ATOM 0 H ARG A 34 3.727 -4.760 -0.749 1.00 0.00 H new ATOM 0 HA ARG A 34 6.426 -5.425 -1.688 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.446 -4.065 0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.557 -3.055 -1.043 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.602 -3.156 0.617 1.00 0.00 H new ATOM 0 HG3 ARG A 34 5.721 -3.883 1.752 1.00 0.00 H new ATOM 0 HD2 ARG A 34 7.185 -1.924 1.652 1.00 0.00 H new ATOM 0 HD3 ARG A 34 6.218 -1.216 0.374 1.00 0.00 H new ATOM 0 HE ARG A 34 4.751 -0.401 1.973 1.00 0.00 H new ATOM 0 HH11 ARG A 34 6.594 -3.101 3.306 1.00 0.00 H new ATOM 0 HH12 ARG A 34 5.927 -2.904 4.931 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.900 -0.154 4.063 1.00 0.00 H new ATOM 0 HH22 ARG A 34 4.409 -1.243 5.358 1.00 0.00 H new ATOM 492 N GLU A 35 6.717 -6.985 0.278 1.00 0.00 N ATOM 493 CA GLU A 35 6.731 -8.075 1.248 1.00 0.00 C ATOM 494 C GLU A 35 6.888 -7.538 2.667 1.00 0.00 C ATOM 495 O GLU A 35 7.443 -6.459 2.876 1.00 0.00 O ATOM 496 CB GLU A 35 7.865 -9.053 0.933 1.00 0.00 C ATOM 497 CG GLU A 35 7.557 -9.990 -0.223 1.00 0.00 C ATOM 498 CD GLU A 35 8.670 -10.989 -0.475 1.00 0.00 C ATOM 499 OE1 GLU A 35 8.763 -11.976 0.284 1.00 0.00 O ATOM 500 OE2 GLU A 35 9.445 -10.785 -1.433 1.00 0.00 O ATOM 0 H GLU A 35 7.554 -6.925 -0.302 1.00 0.00 H new ATOM 0 HA GLU A 35 5.778 -8.600 1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.767 -8.487 0.701 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.080 -9.645 1.822 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.632 -10.527 -0.014 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.388 -9.404 -1.126 1.00 0.00 H new ATOM 507 N SER A 36 6.393 -8.297 3.640 1.00 0.00 N ATOM 508 CA SER A 36 6.473 -7.896 5.039 1.00 0.00 C ATOM 509 C SER A 36 7.828 -8.267 5.634 1.00 0.00 C ATOM 510 O SER A 36 8.568 -9.073 5.067 1.00 0.00 O ATOM 511 CB SER A 36 5.352 -8.555 5.845 1.00 0.00 C ATOM 512 OG SER A 36 4.079 -8.124 5.395 1.00 0.00 O ATOM 0 H SER A 36 5.932 -9.194 3.484 1.00 0.00 H new ATOM 0 HA SER A 36 6.358 -6.813 5.088 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.425 -9.639 5.756 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.469 -8.313 6.901 1.00 0.00 H new ATOM 0 HG SER A 36 3.671 -8.826 4.847 1.00 0.00 H new ATOM 586 N ASP A 42 2.767 -13.122 4.954 1.00 0.00 N ATOM 587 CA ASP A 42 1.796 -12.037 4.878 1.00 0.00 C ATOM 588 C ASP A 42 2.311 -10.908 3.990 1.00 0.00 C ATOM 589 O ASP A 42 3.506 -10.613 3.972 1.00 0.00 O ATOM 590 CB ASP A 42 1.488 -11.501 6.277 1.00 0.00 C ATOM 591 CG ASP A 42 0.932 -12.570 7.197 1.00 0.00 C ATOM 592 OD1 ASP A 42 1.319 -13.748 7.040 1.00 0.00 O ATOM 593 OD2 ASP A 42 0.112 -12.231 8.074 1.00 0.00 O ATOM 0 HA ASP A 42 0.880 -12.432 4.439 1.00 0.00 H new ATOM 0 HB2 ASP A 42 2.398 -11.088 6.713 1.00 0.00 H new ATOM 0 HB3 ASP A 42 0.771 -10.683 6.200 1.00 0.00 H new ATOM 598 N PHE A 43 1.401 -10.280 3.253 1.00 0.00 N ATOM 599 CA PHE A 43 1.763 -9.185 2.361 1.00 0.00 C ATOM 600 C PHE A 43 1.312 -7.844 2.933 1.00 0.00 C ATOM 601 O PHE A 43 0.594 -7.793 3.932 1.00 0.00 O ATOM 602 CB PHE A 43 1.141 -9.398 0.978 1.00 0.00 C ATOM 603 CG PHE A 43 1.572 -10.675 0.317 1.00 0.00 C ATOM 604 CD1 PHE A 43 1.139 -11.900 0.797 1.00 0.00 C ATOM 605 CD2 PHE A 43 2.412 -10.651 -0.784 1.00 0.00 C ATOM 606 CE1 PHE A 43 1.534 -13.077 0.190 1.00 0.00 C ATOM 607 CE2 PHE A 43 2.811 -11.824 -1.395 1.00 0.00 C ATOM 608 CZ PHE A 43 2.371 -13.039 -0.907 1.00 0.00 C ATOM 0 H PHE A 43 0.407 -10.511 3.256 1.00 0.00 H new ATOM 0 HA PHE A 43 2.849 -9.172 2.266 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.055 -9.396 1.073 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.407 -8.558 0.336 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.485 -11.936 1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 43 2.759 -9.704 -1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.188 -14.026 0.574 1.00 0.00 H new ATOM 0 HE2 PHE A 43 3.466 -11.791 -2.253 1.00 0.00 H new ATOM 0 HZ PHE A 43 2.681 -13.958 -1.383 1.00 0.00 H new ATOM 618 N VAL A 44 1.739 -6.760 2.294 1.00 0.00 N ATOM 619 CA VAL A 44 1.380 -5.419 2.738 1.00 0.00 C ATOM 620 C VAL A 44 1.029 -4.524 1.555 1.00 0.00 C ATOM 621 O VAL A 44 1.641 -4.614 0.490 1.00 0.00 O ATOM 622 CB VAL A 44 2.523 -4.768 3.539 1.00 0.00 C ATOM 623 CG1 VAL A 44 2.157 -3.344 3.931 1.00 0.00 C ATOM 624 CG2 VAL A 44 2.853 -5.600 4.769 1.00 0.00 C ATOM 0 H VAL A 44 2.335 -6.784 1.466 1.00 0.00 H new ATOM 0 HA VAL A 44 0.507 -5.522 3.383 1.00 0.00 H new ATOM 0 HB VAL A 44 3.410 -4.729 2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.977 -2.900 4.496 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.975 -2.755 3.032 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.257 -3.356 4.546 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.663 -5.125 5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.972 -5.673 5.406 1.00 0.00 H new ATOM 0 HG23 VAL A 44 3.162 -6.599 4.461 1.00 0.00 H new ATOM 634 N LEU A 45 0.038 -3.659 1.748 1.00 0.00 N ATOM 635 CA LEU A 45 -0.395 -2.746 0.697 1.00 0.00 C ATOM 636 C LEU A 45 -0.233 -1.294 1.136 1.00 0.00 C ATOM 637 O LEU A 45 -0.883 -0.845 2.081 1.00 0.00 O ATOM 638 CB LEU A 45 -1.854 -3.019 0.326 1.00 0.00 C ATOM 639 CG LEU A 45 -2.515 -1.994 -0.596 1.00 0.00 C ATOM 640 CD1 LEU A 45 -2.156 -2.271 -2.048 1.00 0.00 C ATOM 641 CD2 LEU A 45 -4.025 -2.003 -0.407 1.00 0.00 C ATOM 0 H LEU A 45 -0.480 -3.572 2.622 1.00 0.00 H new ATOM 0 HA LEU A 45 0.233 -2.914 -0.178 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.910 -3.997 -0.152 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.436 -3.080 1.245 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.141 -1.004 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.636 -1.531 -2.689 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.075 -2.213 -2.173 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.500 -3.268 -2.324 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.479 -1.267 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.415 -2.993 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.264 -1.755 0.627 1.00 0.00 H new ATOM 653 N SER A 46 0.634 -0.564 0.443 1.00 0.00 N ATOM 654 CA SER A 46 0.882 0.837 0.762 1.00 0.00 C ATOM 655 C SER A 46 0.367 1.747 -0.348 1.00 0.00 C ATOM 656 O SER A 46 0.506 1.441 -1.532 1.00 0.00 O ATOM 657 CB SER A 46 2.377 1.075 0.979 1.00 0.00 C ATOM 658 OG SER A 46 2.909 0.161 1.923 1.00 0.00 O ATOM 0 H SER A 46 1.177 -0.920 -0.344 1.00 0.00 H new ATOM 0 HA SER A 46 0.346 1.075 1.681 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.906 0.972 0.031 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.539 2.096 1.326 1.00 0.00 H new ATOM 0 HG SER A 46 2.349 0.158 2.727 1.00 0.00 H new ATOM 664 N VAL A 47 -0.232 2.868 0.043 1.00 0.00 N ATOM 665 CA VAL A 47 -0.768 3.824 -0.917 1.00 0.00 C ATOM 666 C VAL A 47 -0.515 5.258 -0.465 1.00 0.00 C ATOM 667 O VAL A 47 -0.469 5.544 0.733 1.00 0.00 O ATOM 668 CB VAL A 47 -2.281 3.623 -1.125 1.00 0.00 C ATOM 669 CG1 VAL A 47 -2.853 4.731 -1.995 1.00 0.00 C ATOM 670 CG2 VAL A 47 -2.558 2.257 -1.735 1.00 0.00 C ATOM 0 H VAL A 47 -0.358 3.136 1.019 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.252 3.647 -1.861 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.773 3.668 -0.153 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.923 4.572 -2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.688 5.694 -1.513 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -2.359 4.722 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -3.632 2.132 -1.875 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.055 2.180 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.186 1.479 -1.069 1.00 0.00 H new ATOM 680 N LEU A 48 -0.351 6.156 -1.430 1.00 0.00 N ATOM 681 CA LEU A 48 -0.102 7.563 -1.132 1.00 0.00 C ATOM 682 C LEU A 48 -1.356 8.399 -1.368 1.00 0.00 C ATOM 683 O LEU A 48 -1.642 8.803 -2.495 1.00 0.00 O ATOM 684 CB LEU A 48 1.046 8.091 -1.993 1.00 0.00 C ATOM 685 CG LEU A 48 1.624 9.447 -1.582 1.00 0.00 C ATOM 686 CD1 LEU A 48 2.306 9.347 -0.227 1.00 0.00 C ATOM 687 CD2 LEU A 48 2.597 9.953 -2.637 1.00 0.00 C ATOM 0 H LEU A 48 -0.386 5.936 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 48 0.174 7.644 -0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.851 7.356 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.697 8.164 -3.023 1.00 0.00 H new ATOM 0 HG LEU A 48 0.805 10.161 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.711 10.321 0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.581 9.030 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.115 8.619 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.998 10.918 -2.329 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.414 9.240 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.077 10.064 -3.588 1.00 0.00 H new ATOM 699 N SER A 49 -2.100 8.655 -0.296 1.00 0.00 N ATOM 700 CA SER A 49 -3.325 9.442 -0.387 1.00 0.00 C ATOM 701 C SER A 49 -3.051 10.800 -1.027 1.00 0.00 C ATOM 702 O SER A 49 -1.915 11.272 -1.047 1.00 0.00 O ATOM 703 CB SER A 49 -3.935 9.635 1.003 1.00 0.00 C ATOM 704 OG SER A 49 -2.966 10.102 1.926 1.00 0.00 O ATOM 0 H SER A 49 -1.876 8.329 0.644 1.00 0.00 H new ATOM 0 HA SER A 49 -4.032 8.899 -1.015 1.00 0.00 H new ATOM 0 HB2 SER A 49 -4.759 10.346 0.946 1.00 0.00 H new ATOM 0 HB3 SER A 49 -4.351 8.691 1.355 1.00 0.00 H new ATOM 0 HG SER A 49 -2.077 9.798 1.649 1.00 0.00 H new ATOM 710 N ASP A 50 -4.103 11.421 -1.550 1.00 0.00 N ATOM 711 CA ASP A 50 -3.978 12.725 -2.191 1.00 0.00 C ATOM 712 C ASP A 50 -4.037 13.847 -1.159 1.00 0.00 C ATOM 713 O ASP A 50 -3.993 15.026 -1.507 1.00 0.00 O ATOM 714 CB ASP A 50 -5.085 12.914 -3.231 1.00 0.00 C ATOM 715 CG ASP A 50 -5.071 14.299 -3.846 1.00 0.00 C ATOM 716 OD1 ASP A 50 -4.058 14.656 -4.481 1.00 0.00 O ATOM 717 OD2 ASP A 50 -6.074 15.027 -3.692 1.00 0.00 O ATOM 0 H ASP A 50 -5.050 11.043 -1.543 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.010 12.765 -2.690 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -4.971 12.169 -4.018 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -6.053 12.737 -2.763 1.00 0.00 H new ATOM 722 N GLN A 51 -4.137 13.469 0.112 1.00 0.00 N ATOM 723 CA GLN A 51 -4.204 14.444 1.194 1.00 0.00 C ATOM 724 C GLN A 51 -2.813 14.742 1.744 1.00 0.00 C ATOM 725 O GLN A 51 -2.180 13.905 2.389 1.00 0.00 O ATOM 726 CB GLN A 51 -5.109 13.931 2.315 1.00 0.00 C ATOM 727 CG GLN A 51 -6.565 13.792 1.905 1.00 0.00 C ATOM 728 CD GLN A 51 -7.355 12.906 2.848 1.00 0.00 C ATOM 729 OE1 GLN A 51 -7.164 12.947 4.064 1.00 0.00 O ATOM 730 NE2 GLN A 51 -8.250 12.096 2.292 1.00 0.00 N ATOM 0 H GLN A 51 -4.173 12.496 0.417 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.622 15.367 0.793 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.741 12.962 2.653 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -5.043 14.611 3.164 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.025 14.780 1.870 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.617 13.381 0.897 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.376 12.094 1.280 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.810 11.477 2.877 1.00 0.00 H new ATOM 739 N PRO A 52 -2.323 15.964 1.485 1.00 0.00 N ATOM 740 CA PRO A 52 -1.001 16.401 1.945 1.00 0.00 C ATOM 741 C PRO A 52 -0.948 16.593 3.457 1.00 0.00 C ATOM 742 O PRO A 52 -1.943 16.961 4.082 1.00 0.00 O ATOM 743 CB PRO A 52 -0.800 17.738 1.228 1.00 0.00 C ATOM 744 CG PRO A 52 -2.179 18.235 0.960 1.00 0.00 C ATOM 745 CD PRO A 52 -3.021 17.012 0.723 1.00 0.00 C ATOM 0 HA PRO A 52 -0.228 15.664 1.725 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.240 18.439 1.847 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.238 17.611 0.303 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.557 18.811 1.804 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -2.195 18.894 0.092 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.042 17.153 1.076 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.082 16.765 -0.337 1.00 0.00 H new ATOM 753 N LYS A 53 0.219 16.344 4.040 1.00 0.00 N ATOM 754 CA LYS A 53 0.404 16.492 5.478 1.00 0.00 C ATOM 755 C LYS A 53 -0.032 17.877 5.944 1.00 0.00 C ATOM 756 O LYS A 53 -0.763 18.012 6.925 1.00 0.00 O ATOM 757 CB LYS A 53 1.868 16.253 5.854 1.00 0.00 C ATOM 758 CG LYS A 53 2.233 14.783 5.974 1.00 0.00 C ATOM 759 CD LYS A 53 3.365 14.570 6.964 1.00 0.00 C ATOM 760 CE LYS A 53 2.839 14.388 8.380 1.00 0.00 C ATOM 761 NZ LYS A 53 3.865 14.736 9.402 1.00 0.00 N ATOM 0 H LYS A 53 1.052 16.038 3.538 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.218 15.748 5.976 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.508 16.717 5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.077 16.749 6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.359 14.215 6.291 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.526 14.399 4.997 1.00 0.00 H new ATOM 0 HD2 LYS A 53 3.944 13.693 6.674 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.043 15.423 6.933 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.957 15.013 8.523 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.523 13.354 8.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.468 14.599 10.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.696 14.123 9.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.148 15.730 9.285 1.00 0.00 H new ATOM 775 N ALA A 54 0.420 18.904 5.231 1.00 0.00 N ATOM 776 CA ALA A 54 0.074 20.280 5.570 1.00 0.00 C ATOM 777 C ALA A 54 -0.664 20.958 4.421 1.00 0.00 C ATOM 778 O ALA A 54 -1.689 21.607 4.625 1.00 0.00 O ATOM 779 CB ALA A 54 1.326 21.065 5.934 1.00 0.00 C ATOM 0 H ALA A 54 1.026 18.810 4.416 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.591 20.260 6.433 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.053 22.090 6.185 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.811 20.599 6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.012 21.069 5.087 1.00 0.00 H new ATOM 785 N GLY A 55 -0.134 20.805 3.211 1.00 0.00 N ATOM 786 CA GLY A 55 -0.755 21.410 2.046 1.00 0.00 C ATOM 787 C GLY A 55 0.074 21.233 0.790 1.00 0.00 C ATOM 788 O GLY A 55 0.715 20.202 0.583 1.00 0.00 O ATOM 0 H GLY A 55 0.714 20.273 3.016 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.740 20.969 1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.907 22.473 2.230 1.00 0.00 H new ATOM 792 N PRO A 56 0.067 22.257 -0.077 1.00 0.00 N ATOM 793 CA PRO A 56 0.818 22.233 -1.336 1.00 0.00 C ATOM 794 C PRO A 56 2.324 22.304 -1.114 1.00 0.00 C ATOM 795 O PRO A 56 2.909 23.386 -1.100 1.00 0.00 O ATOM 796 CB PRO A 56 0.325 23.484 -2.067 1.00 0.00 C ATOM 797 CG PRO A 56 -0.131 24.400 -0.984 1.00 0.00 C ATOM 798 CD PRO A 56 -0.675 23.516 0.104 1.00 0.00 C ATOM 0 HA PRO A 56 0.656 21.308 -1.889 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.121 23.936 -2.659 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.488 23.247 -2.754 1.00 0.00 H new ATOM 0 HG2 PRO A 56 0.694 25.010 -0.615 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.896 25.085 -1.349 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.505 23.944 1.092 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -1.750 23.367 0.001 1.00 0.00 H new ATOM 806 N GLY A 57 2.949 21.143 -0.941 1.00 0.00 N ATOM 807 CA GLY A 57 4.382 21.096 -0.722 1.00 0.00 C ATOM 808 C GLY A 57 4.790 19.969 0.206 1.00 0.00 C ATOM 809 O GLY A 57 5.894 19.434 0.096 1.00 0.00 O ATOM 0 H GLY A 57 2.487 20.234 -0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 57 4.889 20.976 -1.679 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.714 22.046 -0.303 1.00 0.00 H new ATOM 813 N SER A 58 3.900 19.608 1.124 1.00 0.00 N ATOM 814 CA SER A 58 4.176 18.540 2.078 1.00 0.00 C ATOM 815 C SER A 58 4.045 17.171 1.416 1.00 0.00 C ATOM 816 O SER A 58 3.327 16.996 0.431 1.00 0.00 O ATOM 817 CB SER A 58 3.223 18.635 3.271 1.00 0.00 C ATOM 818 OG SER A 58 2.000 17.974 3.001 1.00 0.00 O ATOM 0 H SER A 58 2.981 20.039 1.228 1.00 0.00 H new ATOM 0 HA SER A 58 5.201 18.657 2.430 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.692 18.194 4.151 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.030 19.682 3.504 1.00 0.00 H new ATOM 0 HG SER A 58 1.753 18.113 2.063 1.00 0.00 H new ATOM 824 N PRO A 59 4.754 16.177 1.969 1.00 0.00 N ATOM 825 CA PRO A 59 4.735 14.807 1.449 1.00 0.00 C ATOM 826 C PRO A 59 3.397 14.115 1.688 1.00 0.00 C ATOM 827 O PRO A 59 2.996 13.895 2.831 1.00 0.00 O ATOM 828 CB PRO A 59 5.845 14.111 2.241 1.00 0.00 C ATOM 829 CG PRO A 59 5.954 14.891 3.505 1.00 0.00 C ATOM 830 CD PRO A 59 5.632 16.314 3.143 1.00 0.00 C ATOM 0 HA PRO A 59 4.881 14.779 0.369 1.00 0.00 H new ATOM 0 HB2 PRO A 59 5.596 13.069 2.439 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.786 14.115 1.691 1.00 0.00 H new ATOM 0 HG2 PRO A 59 5.261 14.514 4.257 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.956 14.813 3.927 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.132 16.833 3.960 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.532 16.882 2.908 1.00 0.00 H new ATOM 838 N LEU A 60 2.710 13.776 0.603 1.00 0.00 N ATOM 839 CA LEU A 60 1.416 13.109 0.695 1.00 0.00 C ATOM 840 C LEU A 60 1.432 12.036 1.779 1.00 0.00 C ATOM 841 O LEU A 60 2.444 11.367 1.991 1.00 0.00 O ATOM 842 CB LEU A 60 1.046 12.482 -0.652 1.00 0.00 C ATOM 843 CG LEU A 60 0.600 13.455 -1.744 1.00 0.00 C ATOM 844 CD1 LEU A 60 0.285 12.705 -3.029 1.00 0.00 C ATOM 845 CD2 LEU A 60 -0.608 14.257 -1.282 1.00 0.00 C ATOM 0 H LEU A 60 3.027 13.952 -0.350 1.00 0.00 H new ATOM 0 HA LEU A 60 0.668 13.857 0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.907 11.924 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 60 0.246 11.760 -0.487 1.00 0.00 H new ATOM 0 HG LEU A 60 1.417 14.149 -1.943 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.031 13.413 -3.795 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.175 12.175 -3.369 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -0.515 11.988 -2.845 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.912 14.944 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.430 13.578 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.348 14.824 -0.388 1.00 0.00 H new ATOM 857 N ARG A 61 0.303 11.878 2.464 1.00 0.00 N ATOM 858 CA ARG A 61 0.188 10.886 3.526 1.00 0.00 C ATOM 859 C ARG A 61 0.159 9.473 2.951 1.00 0.00 C ATOM 860 O ARG A 61 -0.397 9.239 1.878 1.00 0.00 O ATOM 861 CB ARG A 61 -1.076 11.137 4.351 1.00 0.00 C ATOM 862 CG ARG A 61 -0.952 10.704 5.803 1.00 0.00 C ATOM 863 CD ARG A 61 -0.387 11.818 6.670 1.00 0.00 C ATOM 864 NE ARG A 61 -0.111 11.365 8.031 1.00 0.00 N ATOM 865 CZ ARG A 61 -0.052 12.180 9.078 1.00 0.00 C ATOM 866 NH1 ARG A 61 -0.249 13.482 8.922 1.00 0.00 N ATOM 867 NH2 ARG A 61 0.204 11.693 10.286 1.00 0.00 N ATOM 0 H ARG A 61 -0.543 12.424 2.302 1.00 0.00 H new ATOM 0 HA ARG A 61 1.061 10.979 4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -1.317 12.200 4.317 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.910 10.606 3.892 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.931 10.409 6.181 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.307 9.828 5.869 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.531 12.197 6.221 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.093 12.648 6.700 1.00 0.00 H new ATOM 0 HE ARG A 61 0.045 10.369 8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.447 13.861 7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.203 14.105 9.728 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.356 10.692 10.411 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.249 12.320 11.089 1.00 0.00 H new ATOM 881 N VAL A 62 0.764 8.534 3.671 1.00 0.00 N ATOM 882 CA VAL A 62 0.808 7.144 3.234 1.00 0.00 C ATOM 883 C VAL A 62 -0.103 6.270 4.087 1.00 0.00 C ATOM 884 O VAL A 62 -0.376 6.583 5.246 1.00 0.00 O ATOM 885 CB VAL A 62 2.241 6.583 3.291 1.00 0.00 C ATOM 886 CG1 VAL A 62 2.280 5.160 2.754 1.00 0.00 C ATOM 887 CG2 VAL A 62 3.196 7.480 2.518 1.00 0.00 C ATOM 0 H VAL A 62 1.231 8.711 4.560 1.00 0.00 H new ATOM 0 HA VAL A 62 0.460 7.126 2.201 1.00 0.00 H new ATOM 0 HB VAL A 62 2.562 6.561 4.332 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.301 4.781 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.628 4.526 3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.939 5.152 1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.204 7.068 2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.880 7.536 1.476 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.190 8.479 2.954 1.00 0.00 H new ATOM 897 N THR A 63 -0.572 5.169 3.507 1.00 0.00 N ATOM 898 CA THR A 63 -1.454 4.249 4.213 1.00 0.00 C ATOM 899 C THR A 63 -0.914 2.824 4.164 1.00 0.00 C ATOM 900 O THR A 63 -1.008 2.148 3.139 1.00 0.00 O ATOM 901 CB THR A 63 -2.875 4.267 3.622 1.00 0.00 C ATOM 902 OG1 THR A 63 -3.439 5.579 3.741 1.00 0.00 O ATOM 903 CG2 THR A 63 -3.770 3.261 4.330 1.00 0.00 C ATOM 0 H THR A 63 -0.355 4.893 2.549 1.00 0.00 H new ATOM 0 HA THR A 63 -1.496 4.584 5.249 1.00 0.00 H new ATOM 0 HB THR A 63 -2.809 3.993 2.569 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.343 5.514 4.113 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.769 3.293 3.894 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.355 2.260 4.214 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.828 3.509 5.390 1.00 0.00 H new ATOM 911 N HIS A 64 -0.348 2.372 5.279 1.00 0.00 N ATOM 912 CA HIS A 64 0.206 1.026 5.364 1.00 0.00 C ATOM 913 C HIS A 64 -0.845 0.035 5.854 1.00 0.00 C ATOM 914 O HIS A 64 -1.278 0.095 7.005 1.00 0.00 O ATOM 915 CB HIS A 64 1.417 1.007 6.298 1.00 0.00 C ATOM 916 CG HIS A 64 2.389 2.117 6.041 1.00 0.00 C ATOM 917 ND1 HIS A 64 3.139 2.209 4.887 1.00 0.00 N ATOM 918 CD2 HIS A 64 2.731 3.187 6.796 1.00 0.00 C ATOM 919 CE1 HIS A 64 3.901 3.287 4.944 1.00 0.00 C ATOM 920 NE2 HIS A 64 3.672 3.898 6.092 1.00 0.00 N ATOM 0 H HIS A 64 -0.261 2.919 6.136 1.00 0.00 H new ATOM 0 HA HIS A 64 0.523 0.727 4.365 1.00 0.00 H new ATOM 0 HB2 HIS A 64 1.071 1.070 7.330 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.932 0.052 6.192 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.110 1.548 4.111 1.00 0.00 H new ATOM 0 HD2 HIS A 64 2.337 3.435 7.771 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.593 3.613 4.182 1.00 0.00 H new ATOM 929 N ILE A 65 -1.251 -0.874 4.974 1.00 0.00 N ATOM 930 CA ILE A 65 -2.251 -1.876 5.319 1.00 0.00 C ATOM 931 C ILE A 65 -1.645 -3.275 5.335 1.00 0.00 C ATOM 932 O ILE A 65 -0.886 -3.645 4.439 1.00 0.00 O ATOM 933 CB ILE A 65 -3.434 -1.854 4.333 1.00 0.00 C ATOM 934 CG1 ILE A 65 -4.125 -0.489 4.363 1.00 0.00 C ATOM 935 CG2 ILE A 65 -4.422 -2.962 4.666 1.00 0.00 C ATOM 936 CD1 ILE A 65 -4.756 -0.102 3.044 1.00 0.00 C ATOM 0 H ILE A 65 -0.903 -0.937 4.017 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.614 -1.628 6.316 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.053 -2.025 3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.894 -0.497 5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.397 0.272 4.645 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.252 -2.933 3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.922 -3.928 4.599 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.801 -2.820 5.678 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.227 0.876 3.139 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.988 -0.061 2.271 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.508 -0.842 2.770 1.00 0.00 H new ATOM 948 N LYS A 66 -1.984 -4.050 6.359 1.00 0.00 N ATOM 949 CA LYS A 66 -1.476 -5.410 6.492 1.00 0.00 C ATOM 950 C LYS A 66 -2.380 -6.402 5.767 1.00 0.00 C ATOM 951 O LYS A 66 -3.527 -6.615 6.162 1.00 0.00 O ATOM 952 CB LYS A 66 -1.363 -5.792 7.970 1.00 0.00 C ATOM 953 CG LYS A 66 -0.629 -4.762 8.811 1.00 0.00 C ATOM 954 CD LYS A 66 -0.593 -5.161 10.276 1.00 0.00 C ATOM 955 CE LYS A 66 0.613 -4.564 10.986 1.00 0.00 C ATOM 956 NZ LYS A 66 1.818 -5.428 10.853 1.00 0.00 N ATOM 0 H LYS A 66 -2.610 -3.759 7.110 1.00 0.00 H new ATOM 0 HA LYS A 66 -0.486 -5.448 6.037 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.364 -5.934 8.377 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.847 -6.749 8.051 1.00 0.00 H new ATOM 0 HG2 LYS A 66 0.389 -4.647 8.439 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.117 -3.793 8.709 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.507 -4.829 10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.564 -6.248 10.358 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.826 -3.578 10.574 1.00 0.00 H new ATOM 0 HE3 LYS A 66 0.381 -4.425 12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 2.618 -4.987 11.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.624 -6.361 11.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 2.055 -5.540 9.847 1.00 0.00 H new ATOM 970 N VAL A 67 -1.856 -7.006 4.706 1.00 0.00 N ATOM 971 CA VAL A 67 -2.615 -7.978 3.928 1.00 0.00 C ATOM 972 C VAL A 67 -2.472 -9.380 4.509 1.00 0.00 C ATOM 973 O VAL A 67 -1.435 -10.025 4.352 1.00 0.00 O ATOM 974 CB VAL A 67 -2.162 -7.996 2.456 1.00 0.00 C ATOM 975 CG1 VAL A 67 -3.062 -8.903 1.631 1.00 0.00 C ATOM 976 CG2 VAL A 67 -2.149 -6.585 1.887 1.00 0.00 C ATOM 0 H VAL A 67 -0.909 -6.840 4.365 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.660 -7.673 3.975 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.148 -8.392 2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.726 -8.903 0.594 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.017 -9.918 2.027 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.088 -8.539 1.680 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.827 -6.615 0.846 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.151 -6.160 1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.460 -5.967 2.462 1.00 0.00 H new ATOM 986 N MET A 68 -3.520 -9.847 5.181 1.00 0.00 N ATOM 987 CA MET A 68 -3.510 -11.174 5.783 1.00 0.00 C ATOM 988 C MET A 68 -3.631 -12.258 4.716 1.00 0.00 C ATOM 989 O MET A 68 -4.218 -12.036 3.656 1.00 0.00 O ATOM 990 CB MET A 68 -4.653 -11.308 6.792 1.00 0.00 C ATOM 991 CG MET A 68 -4.326 -10.733 8.161 1.00 0.00 C ATOM 992 SD MET A 68 -5.798 -10.425 9.156 1.00 0.00 S ATOM 993 CE MET A 68 -6.648 -9.221 8.138 1.00 0.00 C ATOM 0 H MET A 68 -4.386 -9.326 5.322 1.00 0.00 H new ATOM 0 HA MET A 68 -2.559 -11.303 6.300 1.00 0.00 H new ATOM 0 HB2 MET A 68 -5.536 -10.805 6.397 1.00 0.00 H new ATOM 0 HB3 MET A 68 -4.909 -12.362 6.901 1.00 0.00 H new ATOM 0 HG2 MET A 68 -3.671 -11.423 8.693 1.00 0.00 H new ATOM 0 HG3 MET A 68 -3.775 -9.801 8.037 1.00 0.00 H new ATOM 0 HE1 MET A 68 -6.966 -8.381 8.756 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.975 -8.864 7.358 1.00 0.00 H new ATOM 0 HE3 MET A 68 -7.521 -9.684 7.679 1.00 0.00 H new ATOM 1003 N CYS A 69 -3.072 -13.428 5.002 1.00 0.00 N ATOM 1004 CA CYS A 69 -3.115 -14.545 4.066 1.00 0.00 C ATOM 1005 C CYS A 69 -4.118 -15.599 4.523 1.00 0.00 C ATOM 1006 O CYS A 69 -4.115 -16.010 5.683 1.00 0.00 O ATOM 1007 CB CYS A 69 -1.727 -15.172 3.921 1.00 0.00 C ATOM 1008 SG CYS A 69 -0.675 -14.977 5.379 1.00 0.00 S ATOM 0 H CYS A 69 -2.584 -13.628 5.875 1.00 0.00 H new ATOM 0 HA CYS A 69 -3.434 -14.162 3.097 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -1.840 -16.235 3.707 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.226 -14.726 3.062 1.00 0.00 H new ATOM 0 HG CYS A 69 0.476 -15.540 5.162 1.00 0.00 H new ATOM 1014 N GLU A 70 -4.974 -16.033 3.603 1.00 0.00 N ATOM 1015 CA GLU A 70 -5.984 -17.037 3.915 1.00 0.00 C ATOM 1016 C GLU A 70 -5.743 -18.317 3.117 1.00 0.00 C ATOM 1017 O GLU A 70 -6.426 -18.583 2.129 1.00 0.00 O ATOM 1018 CB GLU A 70 -7.384 -16.495 3.617 1.00 0.00 C ATOM 1019 CG GLU A 70 -7.805 -15.361 4.537 1.00 0.00 C ATOM 1020 CD GLU A 70 -7.927 -15.796 5.984 1.00 0.00 C ATOM 1021 OE1 GLU A 70 -8.228 -16.985 6.221 1.00 0.00 O ATOM 1022 OE2 GLU A 70 -7.722 -14.950 6.878 1.00 0.00 O ATOM 0 H GLU A 70 -4.988 -15.705 2.637 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.911 -17.271 4.977 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.418 -16.146 2.585 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -8.105 -17.308 3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -7.078 -14.552 4.465 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.762 -14.961 4.200 1.00 0.00 H new ATOM 1029 N GLY A 71 -4.765 -19.104 3.554 1.00 0.00 N ATOM 1030 CA GLY A 71 -4.450 -20.345 2.870 1.00 0.00 C ATOM 1031 C GLY A 71 -4.307 -20.160 1.373 1.00 0.00 C ATOM 1032 O GLY A 71 -4.961 -20.849 0.590 1.00 0.00 O ATOM 0 H GLY A 71 -4.185 -18.905 4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.523 -20.753 3.273 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.234 -21.076 3.070 1.00 0.00 H new ATOM 1036 N GLY A 72 -3.449 -19.227 0.971 1.00 0.00 N ATOM 1037 CA GLY A 72 -3.239 -18.970 -0.441 1.00 0.00 C ATOM 1038 C GLY A 72 -3.854 -17.660 -0.890 1.00 0.00 C ATOM 1039 O GLY A 72 -3.249 -16.914 -1.659 1.00 0.00 O ATOM 0 H GLY A 72 -2.895 -18.644 1.599 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -2.169 -18.956 -0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.666 -19.787 -1.023 1.00 0.00 H new ATOM 1043 N ARG A 73 -5.060 -17.378 -0.408 1.00 0.00 N ATOM 1044 CA ARG A 73 -5.758 -16.150 -0.767 1.00 0.00 C ATOM 1045 C ARG A 73 -5.288 -14.984 0.100 1.00 0.00 C ATOM 1046 O ARG A 73 -4.421 -15.147 0.959 1.00 0.00 O ATOM 1047 CB ARG A 73 -7.269 -16.334 -0.616 1.00 0.00 C ATOM 1048 CG ARG A 73 -7.826 -17.491 -1.429 1.00 0.00 C ATOM 1049 CD ARG A 73 -9.049 -18.103 -0.763 1.00 0.00 C ATOM 1050 NE ARG A 73 -9.632 -19.173 -1.567 1.00 0.00 N ATOM 1051 CZ ARG A 73 -10.460 -20.091 -1.080 1.00 0.00 C ATOM 1052 NH1 ARG A 73 -10.801 -20.068 0.201 1.00 0.00 N ATOM 1053 NH2 ARG A 73 -10.950 -21.033 -1.876 1.00 0.00 N ATOM 0 H ARG A 73 -5.574 -17.984 0.232 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.529 -15.923 -1.808 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.504 -16.494 0.436 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -7.770 -15.414 -0.918 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -8.091 -17.142 -2.427 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.057 -18.254 -1.552 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -8.771 -18.495 0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -9.796 -17.328 -0.595 1.00 0.00 H new ATOM 0 HE ARG A 73 -9.390 -19.218 -2.557 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -10.428 -19.344 0.815 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -11.437 -20.774 0.572 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -10.691 -21.053 -2.862 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -11.586 -21.737 -1.501 1.00 0.00 H new ATOM 1067 N TYR A 74 -5.866 -13.811 -0.132 1.00 0.00 N ATOM 1068 CA TYR A 74 -5.504 -12.618 0.625 1.00 0.00 C ATOM 1069 C TYR A 74 -6.743 -11.796 0.970 1.00 0.00 C ATOM 1070 O TYR A 74 -7.626 -11.599 0.134 1.00 0.00 O ATOM 1071 CB TYR A 74 -4.517 -11.764 -0.171 1.00 0.00 C ATOM 1072 CG TYR A 74 -3.247 -12.495 -0.543 1.00 0.00 C ATOM 1073 CD1 TYR A 74 -2.520 -13.196 0.411 1.00 0.00 C ATOM 1074 CD2 TYR A 74 -2.774 -12.485 -1.850 1.00 0.00 C ATOM 1075 CE1 TYR A 74 -1.360 -13.865 0.075 1.00 0.00 C ATOM 1076 CE2 TYR A 74 -1.615 -13.152 -2.195 1.00 0.00 C ATOM 1077 CZ TYR A 74 -0.911 -13.840 -1.229 1.00 0.00 C ATOM 1078 OH TYR A 74 0.245 -14.506 -1.568 1.00 0.00 O ATOM 0 H TYR A 74 -6.587 -13.660 -0.838 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.031 -12.937 1.554 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.004 -11.413 -1.081 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -4.260 -10.881 0.414 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.868 -13.218 1.433 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -3.322 -11.946 -2.609 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.807 -14.405 0.829 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.262 -13.135 -3.216 1.00 0.00 H new ATOM 0 HH TYR A 74 0.989 -14.165 -1.029 1.00 0.00 H new ATOM 1088 N THR A 75 -6.800 -11.316 2.208 1.00 0.00 N ATOM 1089 CA THR A 75 -7.928 -10.515 2.666 1.00 0.00 C ATOM 1090 C THR A 75 -7.455 -9.266 3.400 1.00 0.00 C ATOM 1091 O THR A 75 -6.282 -9.150 3.756 1.00 0.00 O ATOM 1092 CB THR A 75 -8.851 -11.325 3.597 1.00 0.00 C ATOM 1093 OG1 THR A 75 -10.057 -10.595 3.848 1.00 0.00 O ATOM 1094 CG2 THR A 75 -8.155 -11.633 4.914 1.00 0.00 C ATOM 0 H THR A 75 -6.078 -11.468 2.912 1.00 0.00 H new ATOM 0 HA THR A 75 -8.487 -10.221 1.778 1.00 0.00 H new ATOM 0 HB THR A 75 -9.093 -12.266 3.103 1.00 0.00 H new ATOM 0 HG1 THR A 75 -10.815 -11.068 3.445 1.00 0.00 H new ATOM 0 HG21 THR A 75 -8.826 -12.205 5.555 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.253 -12.214 4.722 1.00 0.00 H new ATOM 0 HG23 THR A 75 -7.887 -10.700 5.411 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.374 -8.333 3.625 1.00 0.00 N ATOM 1103 CA VAL A 76 -8.050 -7.092 4.319 1.00 0.00 C ATOM 1104 C VAL A 76 -9.024 -6.831 5.462 1.00 0.00 C ATOM 1105 O VAL A 76 -10.025 -6.136 5.293 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.070 -5.890 3.357 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -6.946 -6.002 2.338 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.421 -5.785 2.664 1.00 0.00 C ATOM 0 H VAL A 76 -9.349 -8.413 3.337 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.044 -7.208 4.723 1.00 0.00 H new ATOM 0 HB VAL A 76 -7.913 -4.980 3.937 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.976 -5.144 1.667 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.987 -6.024 2.855 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.068 -6.918 1.761 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.418 -4.930 1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.610 -6.696 2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.204 -5.654 3.411 1.00 0.00 H new ATOM 1118 N GLY A 77 -8.724 -7.394 6.629 1.00 0.00 N ATOM 1119 CA GLY A 77 -9.583 -7.211 7.784 1.00 0.00 C ATOM 1120 C GLY A 77 -10.852 -8.036 7.700 1.00 0.00 C ATOM 1121 O GLY A 77 -11.161 -8.805 8.608 1.00 0.00 O ATOM 0 H GLY A 77 -7.901 -7.974 6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.036 -7.483 8.687 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.844 -6.157 7.875 1.00 0.00 H new ATOM 1125 N GLY A 78 -11.591 -7.872 6.607 1.00 0.00 N ATOM 1126 CA GLY A 78 -12.826 -8.614 6.429 1.00 0.00 C ATOM 1127 C GLY A 78 -12.589 -10.100 6.254 1.00 0.00 C ATOM 1128 O GLY A 78 -11.447 -10.560 6.264 1.00 0.00 O ATOM 0 H GLY A 78 -11.357 -7.239 5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -13.472 -8.451 7.292 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -13.355 -8.229 5.558 1.00 0.00 H new ATOM 1132 N LEU A 79 -13.672 -10.855 6.097 1.00 0.00 N ATOM 1133 CA LEU A 79 -13.577 -12.300 5.921 1.00 0.00 C ATOM 1134 C LEU A 79 -13.357 -12.658 4.455 1.00 0.00 C ATOM 1135 O LEU A 79 -12.777 -13.696 4.139 1.00 0.00 O ATOM 1136 CB LEU A 79 -14.846 -12.981 6.438 1.00 0.00 C ATOM 1137 CG LEU A 79 -15.139 -12.809 7.930 1.00 0.00 C ATOM 1138 CD1 LEU A 79 -16.619 -13.015 8.210 1.00 0.00 C ATOM 1139 CD2 LEU A 79 -14.299 -13.776 8.753 1.00 0.00 C ATOM 0 H LEU A 79 -14.625 -10.491 6.088 1.00 0.00 H new ATOM 0 HA LEU A 79 -12.721 -12.655 6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.696 -12.597 5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -14.776 -14.047 6.222 1.00 0.00 H new ATOM 0 HG LEU A 79 -14.874 -11.792 8.218 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -16.809 -12.889 9.276 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -17.201 -12.284 7.649 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -16.910 -14.020 7.906 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.520 -13.640 9.812 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -14.533 -14.800 8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.241 -13.581 8.575 1.00 0.00 H new ATOM 1151 N GLU A 80 -13.823 -11.788 3.563 1.00 0.00 N ATOM 1152 CA GLU A 80 -13.675 -12.012 2.129 1.00 0.00 C ATOM 1153 C GLU A 80 -12.252 -12.444 1.790 1.00 0.00 C ATOM 1154 O GLU A 80 -11.366 -12.436 2.646 1.00 0.00 O ATOM 1155 CB GLU A 80 -14.033 -10.744 1.353 1.00 0.00 C ATOM 1156 CG GLU A 80 -15.501 -10.659 0.969 1.00 0.00 C ATOM 1157 CD GLU A 80 -15.786 -11.276 -0.387 1.00 0.00 C ATOM 1158 OE1 GLU A 80 -15.864 -12.520 -0.468 1.00 0.00 O ATOM 1159 OE2 GLU A 80 -15.930 -10.515 -1.367 1.00 0.00 O ATOM 0 H GLU A 80 -14.305 -10.923 3.808 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.357 -12.811 1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.773 -9.874 1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.426 -10.698 0.449 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -16.101 -11.163 1.727 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -15.811 -9.614 0.961 1.00 0.00 H new ATOM 1166 N THR A 81 -12.038 -12.823 0.534 1.00 0.00 N ATOM 1167 CA THR A 81 -10.724 -13.261 0.080 1.00 0.00 C ATOM 1168 C THR A 81 -10.523 -12.956 -1.400 1.00 0.00 C ATOM 1169 O THR A 81 -11.477 -12.651 -2.115 1.00 0.00 O ATOM 1170 CB THR A 81 -10.522 -14.769 0.315 1.00 0.00 C ATOM 1171 OG1 THR A 81 -11.326 -15.519 -0.602 1.00 0.00 O ATOM 1172 CG2 THR A 81 -10.884 -15.149 1.743 1.00 0.00 C ATOM 0 H THR A 81 -12.759 -12.835 -0.188 1.00 0.00 H new ATOM 0 HA THR A 81 -9.988 -12.709 0.664 1.00 0.00 H new ATOM 0 HB THR A 81 -9.470 -15.002 0.151 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.660 -16.327 -0.159 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.733 -16.219 1.884 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.250 -14.598 2.438 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.929 -14.902 1.931 1.00 0.00 H new ATOM 1180 N PHE A 82 -9.277 -13.042 -1.854 1.00 0.00 N ATOM 1181 CA PHE A 82 -8.952 -12.775 -3.250 1.00 0.00 C ATOM 1182 C PHE A 82 -7.852 -13.712 -3.740 1.00 0.00 C ATOM 1183 O PHE A 82 -6.865 -13.948 -3.042 1.00 0.00 O ATOM 1184 CB PHE A 82 -8.513 -11.319 -3.425 1.00 0.00 C ATOM 1185 CG PHE A 82 -9.567 -10.325 -3.030 1.00 0.00 C ATOM 1186 CD1 PHE A 82 -9.811 -10.047 -1.695 1.00 0.00 C ATOM 1187 CD2 PHE A 82 -10.313 -9.667 -3.995 1.00 0.00 C ATOM 1188 CE1 PHE A 82 -10.781 -9.132 -1.329 1.00 0.00 C ATOM 1189 CE2 PHE A 82 -11.284 -8.751 -3.635 1.00 0.00 C ATOM 1190 CZ PHE A 82 -11.517 -8.482 -2.300 1.00 0.00 C ATOM 0 H PHE A 82 -8.476 -13.295 -1.275 1.00 0.00 H new ATOM 0 HA PHE A 82 -9.848 -12.951 -3.846 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.617 -11.143 -2.829 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.240 -11.153 -4.467 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -9.237 -10.551 -0.931 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -10.134 -9.872 -5.040 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -10.963 -8.926 -0.285 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.860 -8.246 -4.397 1.00 0.00 H new ATOM 0 HZ PHE A 82 -12.273 -7.765 -2.016 1.00 0.00 H new ATOM 1200 N ASP A 83 -8.029 -14.243 -4.945 1.00 0.00 N ATOM 1201 CA ASP A 83 -7.052 -15.154 -5.530 1.00 0.00 C ATOM 1202 C ASP A 83 -5.632 -14.739 -5.158 1.00 0.00 C ATOM 1203 O ASP A 83 -4.848 -15.549 -4.661 1.00 0.00 O ATOM 1204 CB ASP A 83 -7.203 -15.189 -7.052 1.00 0.00 C ATOM 1205 CG ASP A 83 -5.943 -15.662 -7.748 1.00 0.00 C ATOM 1206 OD1 ASP A 83 -5.077 -14.814 -8.050 1.00 0.00 O ATOM 1207 OD2 ASP A 83 -5.821 -16.881 -7.991 1.00 0.00 O ATOM 0 H ASP A 83 -8.840 -14.058 -5.536 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.237 -16.151 -5.131 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.030 -15.848 -7.317 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.461 -14.193 -7.412 1.00 0.00 H new ATOM 1212 N SER A 84 -5.305 -13.474 -5.401 1.00 0.00 N ATOM 1213 CA SER A 84 -3.978 -12.954 -5.097 1.00 0.00 C ATOM 1214 C SER A 84 -3.980 -11.428 -5.092 1.00 0.00 C ATOM 1215 O SER A 84 -5.013 -10.797 -5.321 1.00 0.00 O ATOM 1216 CB SER A 84 -2.959 -13.470 -6.114 1.00 0.00 C ATOM 1217 OG SER A 84 -1.654 -13.492 -5.561 1.00 0.00 O ATOM 0 H SER A 84 -5.942 -12.790 -5.808 1.00 0.00 H new ATOM 0 HA SER A 84 -3.698 -13.303 -4.103 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.238 -14.473 -6.436 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.971 -12.836 -7.000 1.00 0.00 H new ATOM 0 HG SER A 84 -1.021 -13.827 -6.230 1.00 0.00 H new ATOM 1223 N LEU A 85 -2.818 -10.842 -4.829 1.00 0.00 N ATOM 1224 CA LEU A 85 -2.684 -9.390 -4.794 1.00 0.00 C ATOM 1225 C LEU A 85 -3.335 -8.753 -6.017 1.00 0.00 C ATOM 1226 O LEU A 85 -3.821 -7.623 -5.959 1.00 0.00 O ATOM 1227 CB LEU A 85 -1.208 -8.996 -4.725 1.00 0.00 C ATOM 1228 CG LEU A 85 -0.610 -8.878 -3.322 1.00 0.00 C ATOM 1229 CD1 LEU A 85 -1.440 -7.936 -2.465 1.00 0.00 C ATOM 1230 CD2 LEU A 85 -0.510 -10.249 -2.668 1.00 0.00 C ATOM 0 H LEU A 85 -1.955 -11.350 -4.637 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.194 -9.025 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.630 -9.732 -5.284 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.084 -8.040 -5.233 1.00 0.00 H new ATOM 0 HG LEU A 85 0.395 -8.465 -3.410 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.999 -7.865 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.460 -6.948 -2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.457 -8.319 -2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.082 -10.146 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.504 -10.690 -2.593 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.128 -10.894 -3.271 1.00 0.00 H new ATOM 1242 N THR A 86 -3.342 -9.487 -7.127 1.00 0.00 N ATOM 1243 CA THR A 86 -3.934 -8.995 -8.364 1.00 0.00 C ATOM 1244 C THR A 86 -5.442 -8.825 -8.223 1.00 0.00 C ATOM 1245 O THR A 86 -5.975 -7.731 -8.420 1.00 0.00 O ATOM 1246 CB THR A 86 -3.644 -9.944 -9.542 1.00 0.00 C ATOM 1247 OG1 THR A 86 -2.231 -10.068 -9.735 1.00 0.00 O ATOM 1248 CG2 THR A 86 -4.294 -9.436 -10.819 1.00 0.00 C ATOM 0 H THR A 86 -2.944 -10.424 -7.193 1.00 0.00 H new ATOM 0 HA THR A 86 -3.479 -8.025 -8.567 1.00 0.00 H new ATOM 0 HB THR A 86 -4.064 -10.921 -9.304 1.00 0.00 H new ATOM 0 HG1 THR A 86 -1.789 -9.240 -9.454 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.075 -10.123 -11.637 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.373 -9.372 -10.678 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.901 -8.448 -11.060 1.00 0.00 H new ATOM 1256 N ASP A 87 -6.126 -9.910 -7.880 1.00 0.00 N ATOM 1257 CA ASP A 87 -7.574 -9.880 -7.710 1.00 0.00 C ATOM 1258 C ASP A 87 -7.970 -8.924 -6.591 1.00 0.00 C ATOM 1259 O ASP A 87 -8.976 -8.220 -6.688 1.00 0.00 O ATOM 1260 CB ASP A 87 -8.102 -11.284 -7.409 1.00 0.00 C ATOM 1261 CG ASP A 87 -9.601 -11.395 -7.611 1.00 0.00 C ATOM 1262 OD1 ASP A 87 -10.048 -11.342 -8.776 1.00 0.00 O ATOM 1263 OD2 ASP A 87 -10.326 -11.533 -6.604 1.00 0.00 O ATOM 0 H ASP A 87 -5.701 -10.822 -7.714 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.017 -9.525 -8.640 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -7.597 -12.004 -8.053 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -7.856 -11.549 -6.381 1.00 0.00 H new ATOM 1268 N LEU A 88 -7.174 -8.904 -5.527 1.00 0.00 N ATOM 1269 CA LEU A 88 -7.442 -8.033 -4.387 1.00 0.00 C ATOM 1270 C LEU A 88 -7.270 -6.567 -4.769 1.00 0.00 C ATOM 1271 O LEU A 88 -8.225 -5.791 -4.742 1.00 0.00 O ATOM 1272 CB LEU A 88 -6.511 -8.381 -3.225 1.00 0.00 C ATOM 1273 CG LEU A 88 -6.742 -7.610 -1.925 1.00 0.00 C ATOM 1274 CD1 LEU A 88 -6.352 -8.458 -0.724 1.00 0.00 C ATOM 1275 CD2 LEU A 88 -5.961 -6.304 -1.933 1.00 0.00 C ATOM 0 H LEU A 88 -6.338 -9.481 -5.430 1.00 0.00 H new ATOM 0 HA LEU A 88 -8.475 -8.190 -4.077 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.608 -9.446 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.483 -8.212 -3.546 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.804 -7.375 -1.849 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.523 -7.892 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.955 -9.366 -0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.297 -8.724 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.138 -5.769 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.897 -6.517 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.289 -5.689 -2.771 1.00 0.00 H new ATOM 1287 N VAL A 89 -6.045 -6.193 -5.127 1.00 0.00 N ATOM 1288 CA VAL A 89 -5.748 -4.821 -5.518 1.00 0.00 C ATOM 1289 C VAL A 89 -6.704 -4.340 -6.605 1.00 0.00 C ATOM 1290 O VAL A 89 -7.405 -3.344 -6.431 1.00 0.00 O ATOM 1291 CB VAL A 89 -4.300 -4.683 -6.026 1.00 0.00 C ATOM 1292 CG1 VAL A 89 -4.025 -3.255 -6.476 1.00 0.00 C ATOM 1293 CG2 VAL A 89 -3.315 -5.109 -4.948 1.00 0.00 C ATOM 0 H VAL A 89 -5.243 -6.822 -5.154 1.00 0.00 H new ATOM 0 HA VAL A 89 -5.874 -4.204 -4.628 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.171 -5.341 -6.886 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.998 -3.177 -6.831 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.709 -2.989 -7.282 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -4.171 -2.575 -5.637 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.297 -5.005 -5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.443 -4.478 -4.068 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.498 -6.149 -4.678 1.00 0.00 H new ATOM 1303 N GLU A 90 -6.725 -5.054 -7.726 1.00 0.00 N ATOM 1304 CA GLU A 90 -7.595 -4.700 -8.841 1.00 0.00 C ATOM 1305 C GLU A 90 -9.010 -4.403 -8.354 1.00 0.00 C ATOM 1306 O GLU A 90 -9.569 -3.344 -8.641 1.00 0.00 O ATOM 1307 CB GLU A 90 -7.626 -5.830 -9.872 1.00 0.00 C ATOM 1308 CG GLU A 90 -6.387 -5.885 -10.751 1.00 0.00 C ATOM 1309 CD GLU A 90 -6.601 -6.704 -12.009 1.00 0.00 C ATOM 1310 OE1 GLU A 90 -7.131 -7.830 -11.899 1.00 0.00 O ATOM 1311 OE2 GLU A 90 -6.238 -6.222 -13.101 1.00 0.00 O ATOM 0 H GLU A 90 -6.150 -5.881 -7.886 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.194 -3.801 -9.310 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.735 -6.782 -9.352 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.505 -5.709 -10.505 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -6.096 -4.871 -11.027 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.560 -6.310 -10.181 1.00 0.00 H new ATOM 1318 N HIS A 91 -9.585 -5.346 -7.614 1.00 0.00 N ATOM 1319 CA HIS A 91 -10.936 -5.187 -7.085 1.00 0.00 C ATOM 1320 C HIS A 91 -11.042 -3.921 -6.241 1.00 0.00 C ATOM 1321 O HIS A 91 -12.135 -3.392 -6.031 1.00 0.00 O ATOM 1322 CB HIS A 91 -11.327 -6.406 -6.251 1.00 0.00 C ATOM 1323 CG HIS A 91 -12.633 -6.248 -5.536 1.00 0.00 C ATOM 1324 ND1 HIS A 91 -12.957 -5.541 -4.427 1.00 0.00 N flip ATOM 1325 CD2 HIS A 91 -13.797 -6.862 -5.949 1.00 0.00 C flip ATOM 1326 CE1 HIS A 91 -14.296 -5.739 -4.195 1.00 0.00 C flip ATOM 1327 NE2 HIS A 91 -14.779 -6.539 -5.127 1.00 0.00 N flip ATOM 0 H HIS A 91 -9.137 -6.228 -7.367 1.00 0.00 H new ATOM 0 HA HIS A 91 -11.622 -5.099 -7.927 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -11.382 -7.279 -6.902 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -10.543 -6.602 -5.520 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -13.891 -7.507 -6.810 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -14.862 -5.310 -3.382 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -15.746 -6.854 -5.200 1.00 0.00 H new ATOM 1336 N PHE A 92 -9.902 -3.440 -5.757 1.00 0.00 N ATOM 1337 CA PHE A 92 -9.868 -2.238 -4.933 1.00 0.00 C ATOM 1338 C PHE A 92 -9.602 -1.000 -5.786 1.00 0.00 C ATOM 1339 O PHE A 92 -10.060 0.098 -5.469 1.00 0.00 O ATOM 1340 CB PHE A 92 -8.793 -2.365 -3.851 1.00 0.00 C ATOM 1341 CG PHE A 92 -9.308 -2.926 -2.558 1.00 0.00 C ATOM 1342 CD1 PHE A 92 -10.406 -2.361 -1.931 1.00 0.00 C ATOM 1343 CD2 PHE A 92 -8.693 -4.018 -1.967 1.00 0.00 C ATOM 1344 CE1 PHE A 92 -10.882 -2.875 -0.739 1.00 0.00 C ATOM 1345 CE2 PHE A 92 -9.163 -4.537 -0.776 1.00 0.00 C ATOM 1346 CZ PHE A 92 -10.260 -3.965 -0.161 1.00 0.00 C ATOM 0 H PHE A 92 -8.989 -3.864 -5.921 1.00 0.00 H new ATOM 0 HA PHE A 92 -10.842 -2.128 -4.457 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -7.990 -3.003 -4.221 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -8.359 -1.383 -3.664 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -10.896 -1.509 -2.378 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.835 -4.469 -2.443 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -11.739 -2.425 -0.260 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -8.674 -5.388 -0.326 1.00 0.00 H new ATOM 0 HZ PHE A 92 -10.631 -4.369 0.770 1.00 0.00 H new ATOM 1356 N LYS A 93 -8.859 -1.187 -6.873 1.00 0.00 N ATOM 1357 CA LYS A 93 -8.533 -0.089 -7.774 1.00 0.00 C ATOM 1358 C LYS A 93 -9.792 0.477 -8.422 1.00 0.00 C ATOM 1359 O LYS A 93 -9.783 1.584 -8.961 1.00 0.00 O ATOM 1360 CB LYS A 93 -7.558 -0.562 -8.855 1.00 0.00 C ATOM 1361 CG LYS A 93 -6.301 -1.210 -8.299 1.00 0.00 C ATOM 1362 CD LYS A 93 -5.120 -1.031 -9.239 1.00 0.00 C ATOM 1363 CE LYS A 93 -5.190 -1.997 -10.411 1.00 0.00 C ATOM 1364 NZ LYS A 93 -4.270 -1.600 -11.513 1.00 0.00 N ATOM 0 H LYS A 93 -8.472 -2.089 -7.150 1.00 0.00 H new ATOM 0 HA LYS A 93 -8.062 0.700 -7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -8.067 -1.274 -9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.275 0.289 -9.474 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -6.064 -0.774 -7.328 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -6.480 -2.273 -8.136 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -5.102 -0.007 -9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -4.191 -1.188 -8.692 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.936 -3.001 -10.070 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -6.212 -2.037 -10.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -4.347 -2.284 -12.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -4.528 -0.653 -11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.292 -1.586 -11.160 1.00 0.00 H new ATOM 1378 N LYS A 94 -10.877 -0.290 -8.365 1.00 0.00 N ATOM 1379 CA LYS A 94 -12.145 0.135 -8.943 1.00 0.00 C ATOM 1380 C LYS A 94 -13.138 0.522 -7.853 1.00 0.00 C ATOM 1381 O LYS A 94 -13.862 1.511 -7.980 1.00 0.00 O ATOM 1382 CB LYS A 94 -12.733 -0.981 -9.811 1.00 0.00 C ATOM 1383 CG LYS A 94 -12.956 -2.282 -9.058 1.00 0.00 C ATOM 1384 CD LYS A 94 -13.091 -3.460 -10.008 1.00 0.00 C ATOM 1385 CE LYS A 94 -14.527 -3.633 -10.480 1.00 0.00 C ATOM 1386 NZ LYS A 94 -14.596 -4.299 -11.810 1.00 0.00 N ATOM 0 H LYS A 94 -10.902 -1.209 -7.924 1.00 0.00 H new ATOM 0 HA LYS A 94 -11.957 1.010 -9.565 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -13.682 -0.644 -10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -12.064 -1.167 -10.651 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -12.123 -2.456 -8.377 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -13.855 -2.201 -8.448 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -12.439 -3.311 -10.869 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -12.758 -4.371 -9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -15.081 -4.222 -9.749 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -15.011 -2.658 -10.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -15.591 -4.399 -12.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -14.089 -3.724 -12.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -14.157 -5.240 -11.750 1.00 0.00 H new ATOM 1400 N THR A 95 -13.167 -0.261 -6.779 1.00 0.00 N ATOM 1401 CA THR A 95 -14.071 0.001 -5.667 1.00 0.00 C ATOM 1402 C THR A 95 -13.477 1.022 -4.704 1.00 0.00 C ATOM 1403 O THR A 95 -14.084 2.056 -4.427 1.00 0.00 O ATOM 1404 CB THR A 95 -14.395 -1.290 -4.891 1.00 0.00 C ATOM 1405 OG1 THR A 95 -13.204 -1.817 -4.296 1.00 0.00 O ATOM 1406 CG2 THR A 95 -15.013 -2.333 -5.810 1.00 0.00 C ATOM 0 H THR A 95 -12.574 -1.082 -6.656 1.00 0.00 H new ATOM 0 HA THR A 95 -14.990 0.401 -6.095 1.00 0.00 H new ATOM 0 HB THR A 95 -15.114 -1.046 -4.109 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.950 -2.646 -4.752 1.00 0.00 H new ATOM 0 HG21 THR A 95 -15.233 -3.236 -5.240 1.00 0.00 H new ATOM 0 HG22 THR A 95 -15.935 -1.940 -6.238 1.00 0.00 H new ATOM 0 HG23 THR A 95 -14.314 -2.572 -6.612 1.00 0.00 H new ATOM 1414 N GLY A 96 -12.283 0.726 -4.196 1.00 0.00 N ATOM 1415 CA GLY A 96 -11.627 1.631 -3.270 1.00 0.00 C ATOM 1416 C GLY A 96 -11.564 1.072 -1.862 1.00 0.00 C ATOM 1417 O GLY A 96 -12.320 0.165 -1.512 1.00 0.00 O ATOM 0 H GLY A 96 -11.760 -0.123 -4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -10.616 1.837 -3.622 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -12.160 2.582 -3.257 1.00 0.00 H new ATOM 1421 N ILE A 97 -10.660 1.614 -1.052 1.00 0.00 N ATOM 1422 CA ILE A 97 -10.501 1.164 0.325 1.00 0.00 C ATOM 1423 C ILE A 97 -10.911 2.254 1.309 1.00 0.00 C ATOM 1424 O ILE A 97 -10.756 3.444 1.033 1.00 0.00 O ATOM 1425 CB ILE A 97 -9.049 0.743 0.616 1.00 0.00 C ATOM 1426 CG1 ILE A 97 -8.653 -0.445 -0.263 1.00 0.00 C ATOM 1427 CG2 ILE A 97 -8.882 0.400 2.089 1.00 0.00 C ATOM 1428 CD1 ILE A 97 -7.158 -0.635 -0.385 1.00 0.00 C ATOM 0 H ILE A 97 -10.027 2.365 -1.326 1.00 0.00 H new ATOM 0 HA ILE A 97 -11.152 0.299 0.452 1.00 0.00 H new ATOM 0 HB ILE A 97 -8.390 1.579 0.381 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -9.094 -1.353 0.148 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -9.076 -0.307 -1.258 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -7.850 0.104 2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -9.127 1.272 2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -9.549 -0.422 2.349 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -6.951 -1.495 -1.022 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -6.712 0.258 -0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -6.731 -0.805 0.603 1.00 0.00 H new ATOM 1440 N GLU A 98 -11.430 1.840 2.461 1.00 0.00 N ATOM 1441 CA GLU A 98 -11.861 2.782 3.487 1.00 0.00 C ATOM 1442 C GLU A 98 -11.181 2.481 4.820 1.00 0.00 C ATOM 1443 O GLU A 98 -11.175 1.340 5.281 1.00 0.00 O ATOM 1444 CB GLU A 98 -13.380 2.730 3.654 1.00 0.00 C ATOM 1445 CG GLU A 98 -13.889 3.513 4.853 1.00 0.00 C ATOM 1446 CD GLU A 98 -15.347 3.906 4.717 1.00 0.00 C ATOM 1447 OE1 GLU A 98 -16.151 3.057 4.280 1.00 0.00 O ATOM 1448 OE2 GLU A 98 -15.683 5.063 5.048 1.00 0.00 O ATOM 0 H GLU A 98 -11.562 0.859 2.707 1.00 0.00 H new ATOM 0 HA GLU A 98 -11.573 3.784 3.169 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -13.850 3.119 2.751 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -13.691 1.690 3.752 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -13.761 2.914 5.754 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -13.285 4.411 4.979 1.00 0.00 H new ATOM 1455 N GLU A 99 -10.612 3.514 5.434 1.00 0.00 N ATOM 1456 CA GLU A 99 -9.928 3.360 6.712 1.00 0.00 C ATOM 1457 C GLU A 99 -10.900 3.549 7.874 1.00 0.00 C ATOM 1458 O GLU A 99 -11.833 4.348 7.792 1.00 0.00 O ATOM 1459 CB GLU A 99 -8.778 4.363 6.826 1.00 0.00 C ATOM 1460 CG GLU A 99 -7.713 4.190 5.756 1.00 0.00 C ATOM 1461 CD GLU A 99 -6.603 5.216 5.868 1.00 0.00 C ATOM 1462 OE1 GLU A 99 -6.234 5.569 7.008 1.00 0.00 O ATOM 1463 OE2 GLU A 99 -6.102 5.668 4.816 1.00 0.00 O ATOM 0 H GLU A 99 -10.611 4.466 5.067 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.523 2.349 6.759 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -9.181 5.374 6.766 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.315 4.262 7.808 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -7.287 3.189 5.831 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -8.176 4.267 4.772 1.00 0.00 H new ATOM 1470 N ALA A 100 -10.672 2.811 8.955 1.00 0.00 N ATOM 1471 CA ALA A 100 -11.525 2.897 10.134 1.00 0.00 C ATOM 1472 C ALA A 100 -11.748 4.350 10.544 1.00 0.00 C ATOM 1473 O ALA A 100 -12.873 4.757 10.835 1.00 0.00 O ATOM 1474 CB ALA A 100 -10.917 2.110 11.284 1.00 0.00 C ATOM 0 H ALA A 100 -9.903 2.146 9.039 1.00 0.00 H new ATOM 0 HA ALA A 100 -12.493 2.464 9.884 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -11.565 2.183 12.158 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -10.814 1.064 10.995 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -9.935 2.518 11.525 1.00 0.00 H new ATOM 1480 N SER A 101 -10.669 5.127 10.564 1.00 0.00 N ATOM 1481 CA SER A 101 -10.747 6.532 10.943 1.00 0.00 C ATOM 1482 C SER A 101 -11.809 7.258 10.123 1.00 0.00 C ATOM 1483 O SER A 101 -12.628 8.000 10.664 1.00 0.00 O ATOM 1484 CB SER A 101 -9.389 7.209 10.753 1.00 0.00 C ATOM 1485 OG SER A 101 -8.515 6.913 11.829 1.00 0.00 O ATOM 0 H SER A 101 -9.731 4.807 10.322 1.00 0.00 H new ATOM 0 HA SER A 101 -11.027 6.584 11.995 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.942 6.877 9.816 1.00 0.00 H new ATOM 0 HB3 SER A 101 -9.525 8.288 10.677 1.00 0.00 H new ATOM 0 HG SER A 101 -7.653 7.356 11.682 1.00 0.00 H new ATOM 1491 N GLY A 102 -11.788 7.038 8.812 1.00 0.00 N ATOM 1492 CA GLY A 102 -12.753 7.678 7.937 1.00 0.00 C ATOM 1493 C GLY A 102 -12.123 8.193 6.658 1.00 0.00 C ATOM 1494 O GLY A 102 -12.574 9.189 6.094 1.00 0.00 O ATOM 0 H GLY A 102 -11.120 6.428 8.340 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -13.542 6.968 7.689 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -13.225 8.507 8.465 1.00 0.00 H new ATOM 1498 N ALA A 103 -11.075 7.516 6.201 1.00 0.00 N ATOM 1499 CA ALA A 103 -10.382 7.910 4.981 1.00 0.00 C ATOM 1500 C ALA A 103 -10.700 6.956 3.834 1.00 0.00 C ATOM 1501 O ALA A 103 -11.157 5.834 4.057 1.00 0.00 O ATOM 1502 CB ALA A 103 -8.881 7.969 5.221 1.00 0.00 C ATOM 0 H ALA A 103 -10.687 6.691 6.658 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.733 8.903 4.699 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.377 8.265 4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.666 8.697 6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.523 6.987 5.531 1.00 0.00 H new ATOM 1508 N PHE A 104 -10.457 7.408 2.609 1.00 0.00 N ATOM 1509 CA PHE A 104 -10.719 6.595 1.428 1.00 0.00 C ATOM 1510 C PHE A 104 -9.493 6.543 0.520 1.00 0.00 C ATOM 1511 O PHE A 104 -9.175 7.513 -0.168 1.00 0.00 O ATOM 1512 CB PHE A 104 -11.916 7.150 0.655 1.00 0.00 C ATOM 1513 CG PHE A 104 -13.226 6.537 1.060 1.00 0.00 C ATOM 1514 CD1 PHE A 104 -13.582 5.274 0.615 1.00 0.00 C ATOM 1515 CD2 PHE A 104 -14.103 7.224 1.884 1.00 0.00 C ATOM 1516 CE1 PHE A 104 -14.788 4.709 0.985 1.00 0.00 C ATOM 1517 CE2 PHE A 104 -15.310 6.663 2.258 1.00 0.00 C ATOM 1518 CZ PHE A 104 -15.652 5.404 1.809 1.00 0.00 C ATOM 0 H PHE A 104 -10.079 8.334 2.408 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.948 5.582 1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.967 8.229 0.804 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -11.760 6.983 -0.411 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -12.910 4.725 -0.028 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -13.840 8.210 2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -15.055 3.725 0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -15.984 7.210 2.901 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.593 4.963 2.101 1.00 0.00 H new ATOM 1528 N VAL A 105 -8.808 5.404 0.524 1.00 0.00 N ATOM 1529 CA VAL A 105 -7.618 5.224 -0.299 1.00 0.00 C ATOM 1530 C VAL A 105 -7.988 4.808 -1.718 1.00 0.00 C ATOM 1531 O VAL A 105 -8.822 3.924 -1.919 1.00 0.00 O ATOM 1532 CB VAL A 105 -6.673 4.168 0.304 1.00 0.00 C ATOM 1533 CG1 VAL A 105 -5.519 3.881 -0.643 1.00 0.00 C ATOM 1534 CG2 VAL A 105 -6.159 4.626 1.661 1.00 0.00 C ATOM 0 H VAL A 105 -9.057 4.592 1.088 1.00 0.00 H new ATOM 0 HA VAL A 105 -7.105 6.185 -0.328 1.00 0.00 H new ATOM 0 HB VAL A 105 -7.233 3.244 0.446 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.862 3.133 -0.200 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -5.909 3.506 -1.589 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.957 4.798 -0.820 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.493 3.868 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.615 5.564 1.546 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -7.001 4.775 2.337 1.00 0.00 H new ATOM 1544 N TYR A 106 -7.364 5.449 -2.698 1.00 0.00 N ATOM 1545 CA TYR A 106 -7.628 5.147 -4.100 1.00 0.00 C ATOM 1546 C TYR A 106 -6.359 4.683 -4.806 1.00 0.00 C ATOM 1547 O TYR A 106 -5.265 5.176 -4.532 1.00 0.00 O ATOM 1548 CB TYR A 106 -8.200 6.377 -4.810 1.00 0.00 C ATOM 1549 CG TYR A 106 -9.417 6.958 -4.127 1.00 0.00 C ATOM 1550 CD1 TYR A 106 -10.454 6.139 -3.697 1.00 0.00 C ATOM 1551 CD2 TYR A 106 -9.533 8.327 -3.915 1.00 0.00 C ATOM 1552 CE1 TYR A 106 -11.569 6.665 -3.074 1.00 0.00 C ATOM 1553 CE2 TYR A 106 -10.643 8.862 -3.292 1.00 0.00 C ATOM 1554 CZ TYR A 106 -11.659 8.027 -2.873 1.00 0.00 C ATOM 1555 OH TYR A 106 -12.768 8.556 -2.254 1.00 0.00 O ATOM 0 H TYR A 106 -6.671 6.182 -2.548 1.00 0.00 H new ATOM 0 HA TYR A 106 -8.359 4.340 -4.140 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -7.427 7.143 -4.871 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -8.462 6.107 -5.833 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -10.387 5.072 -3.853 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -8.741 8.984 -4.243 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -12.366 6.014 -2.746 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.716 9.928 -3.133 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.673 9.529 -2.189 1.00 0.00 H new ATOM 1565 N LEU A 107 -6.513 3.729 -5.719 1.00 0.00 N ATOM 1566 CA LEU A 107 -5.381 3.195 -6.467 1.00 0.00 C ATOM 1567 C LEU A 107 -5.555 3.436 -7.963 1.00 0.00 C ATOM 1568 O LEU A 107 -6.191 2.644 -8.659 1.00 0.00 O ATOM 1569 CB LEU A 107 -5.223 1.699 -6.194 1.00 0.00 C ATOM 1570 CG LEU A 107 -5.256 1.278 -4.725 1.00 0.00 C ATOM 1571 CD1 LEU A 107 -6.681 0.965 -4.291 1.00 0.00 C ATOM 1572 CD2 LEU A 107 -4.351 0.076 -4.494 1.00 0.00 C ATOM 0 H LEU A 107 -7.412 3.310 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 107 -4.481 3.714 -6.136 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -6.016 1.168 -6.721 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -4.277 1.369 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 107 -4.887 2.107 -4.121 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -6.685 0.667 -3.243 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -7.303 1.851 -4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -7.077 0.153 -4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.387 -0.210 -3.443 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.690 -0.758 -5.109 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -3.327 0.334 -4.765 1.00 0.00 H new ATOM 1584 N ARG A 108 -4.984 4.532 -8.452 1.00 0.00 N ATOM 1585 CA ARG A 108 -5.075 4.876 -9.866 1.00 0.00 C ATOM 1586 C ARG A 108 -3.924 4.255 -10.651 1.00 0.00 C ATOM 1587 O ARG A 108 -4.126 3.697 -11.729 1.00 0.00 O ATOM 1588 CB ARG A 108 -5.068 6.395 -10.045 1.00 0.00 C ATOM 1589 CG ARG A 108 -6.179 7.102 -9.286 1.00 0.00 C ATOM 1590 CD ARG A 108 -6.596 8.390 -9.979 1.00 0.00 C ATOM 1591 NE ARG A 108 -5.450 9.237 -10.296 1.00 0.00 N ATOM 1592 CZ ARG A 108 -5.508 10.274 -11.124 1.00 0.00 C ATOM 1593 NH1 ARG A 108 -6.652 10.590 -11.717 1.00 0.00 N ATOM 1594 NH2 ARG A 108 -4.421 10.997 -11.362 1.00 0.00 N ATOM 0 H ARG A 108 -4.453 5.197 -7.890 1.00 0.00 H new ATOM 0 HA ARG A 108 -6.013 4.476 -10.252 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -4.106 6.787 -9.714 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -5.159 6.628 -11.106 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -7.040 6.439 -9.199 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -5.844 7.325 -8.273 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -7.134 8.150 -10.896 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -7.286 8.939 -9.339 1.00 0.00 H new ATOM 0 HE ARG A 108 -4.555 9.020 -9.857 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -7.490 10.036 -11.537 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.694 11.387 -12.352 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.539 10.757 -10.909 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -4.467 11.793 -11.998 1.00 0.00 H new ATOM 1608 N GLN A 109 -2.717 4.359 -10.104 1.00 0.00 N ATOM 1609 CA GLN A 109 -1.534 3.809 -10.754 1.00 0.00 C ATOM 1610 C GLN A 109 -0.545 3.274 -9.724 1.00 0.00 C ATOM 1611 O GLN A 109 -0.375 3.834 -8.641 1.00 0.00 O ATOM 1612 CB GLN A 109 -0.860 4.875 -11.620 1.00 0.00 C ATOM 1613 CG GLN A 109 -0.187 5.976 -10.816 1.00 0.00 C ATOM 1614 CD GLN A 109 -1.150 7.076 -10.413 1.00 0.00 C ATOM 1615 OE1 GLN A 109 -2.167 7.297 -11.070 1.00 0.00 O ATOM 1616 NE2 GLN A 109 -0.833 7.771 -9.327 1.00 0.00 N ATOM 0 H GLN A 109 -2.533 4.819 -9.212 1.00 0.00 H new ATOM 0 HA GLN A 109 -1.851 2.982 -11.389 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -0.117 4.396 -12.258 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.605 5.321 -12.278 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.261 5.545 -9.921 1.00 0.00 H new ATOM 0 HG3 GLN A 109 0.624 6.406 -11.404 1.00 0.00 H new ATOM 0 HE21 GLN A 109 0.021 7.553 -8.813 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -1.443 8.523 -9.007 1.00 0.00 H new ATOM 1625 N PRO A 110 0.124 2.163 -10.066 1.00 0.00 N ATOM 1626 CA PRO A 110 1.108 1.527 -9.185 1.00 0.00 C ATOM 1627 C PRO A 110 2.375 2.362 -9.034 1.00 0.00 C ATOM 1628 O PRO A 110 2.405 3.535 -9.405 1.00 0.00 O ATOM 1629 CB PRO A 110 1.418 0.206 -9.892 1.00 0.00 C ATOM 1630 CG PRO A 110 1.116 0.465 -11.329 1.00 0.00 C ATOM 1631 CD PRO A 110 -0.029 1.441 -11.341 1.00 0.00 C ATOM 0 HA PRO A 110 0.727 1.403 -8.171 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.460 -0.083 -9.752 1.00 0.00 H new ATOM 0 HB3 PRO A 110 0.807 -0.606 -9.499 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.985 0.876 -11.843 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.848 -0.457 -11.844 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.028 2.117 -12.195 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -0.991 0.931 -11.401 1.00 0.00 H new ATOM 1639 N TYR A 111 3.420 1.748 -8.489 1.00 0.00 N ATOM 1640 CA TYR A 111 4.690 2.436 -8.288 1.00 0.00 C ATOM 1641 C TYR A 111 5.864 1.499 -8.553 1.00 0.00 C ATOM 1642 O TYR A 111 6.054 0.507 -7.849 1.00 0.00 O ATOM 1643 CB TYR A 111 4.776 2.987 -6.864 1.00 0.00 C ATOM 1644 CG TYR A 111 6.129 3.564 -6.518 1.00 0.00 C ATOM 1645 CD1 TYR A 111 6.445 4.881 -6.830 1.00 0.00 C ATOM 1646 CD2 TYR A 111 7.094 2.793 -5.881 1.00 0.00 C ATOM 1647 CE1 TYR A 111 7.682 5.412 -6.517 1.00 0.00 C ATOM 1648 CE2 TYR A 111 8.332 3.316 -5.563 1.00 0.00 C ATOM 1649 CZ TYR A 111 8.621 4.626 -5.883 1.00 0.00 C ATOM 1650 OH TYR A 111 9.853 5.151 -5.569 1.00 0.00 O ATOM 0 H TYR A 111 3.413 0.776 -8.179 1.00 0.00 H new ATOM 0 HA TYR A 111 4.741 3.264 -8.995 1.00 0.00 H new ATOM 0 HB2 TYR A 111 4.018 3.759 -6.736 1.00 0.00 H new ATOM 0 HB3 TYR A 111 4.540 2.189 -6.160 1.00 0.00 H new ATOM 0 HD1 TYR A 111 5.712 5.500 -7.325 1.00 0.00 H new ATOM 0 HD2 TYR A 111 6.872 1.766 -5.630 1.00 0.00 H new ATOM 0 HE1 TYR A 111 7.912 6.437 -6.768 1.00 0.00 H new ATOM 0 HE2 TYR A 111 9.070 2.703 -5.067 1.00 0.00 H new ATOM 0 HH TYR A 111 9.754 5.813 -4.853 1.00 0.00 H new ATOM 1660 N TYR A 112 6.650 1.822 -9.574 1.00 0.00 N ATOM 1661 CA TYR A 112 7.806 1.009 -9.936 1.00 0.00 C ATOM 1662 C TYR A 112 9.103 1.684 -9.501 1.00 0.00 C ATOM 1663 O TYR A 112 9.253 2.900 -9.616 1.00 0.00 O ATOM 1664 CB TYR A 112 7.828 0.760 -11.445 1.00 0.00 C ATOM 1665 CG TYR A 112 6.460 0.510 -12.037 1.00 0.00 C ATOM 1666 CD1 TYR A 112 5.740 -0.633 -11.713 1.00 0.00 C ATOM 1667 CD2 TYR A 112 5.888 1.416 -12.922 1.00 0.00 C ATOM 1668 CE1 TYR A 112 4.489 -0.868 -12.253 1.00 0.00 C ATOM 1669 CE2 TYR A 112 4.638 1.191 -13.465 1.00 0.00 C ATOM 1670 CZ TYR A 112 3.943 0.048 -13.128 1.00 0.00 C ATOM 1671 OH TYR A 112 2.697 -0.180 -13.667 1.00 0.00 O ATOM 0 H TYR A 112 6.508 2.641 -10.166 1.00 0.00 H new ATOM 0 HA TYR A 112 7.724 0.053 -9.418 1.00 0.00 H new ATOM 0 HB2 TYR A 112 8.277 1.621 -11.940 1.00 0.00 H new ATOM 0 HB3 TYR A 112 8.467 -0.098 -11.654 1.00 0.00 H new ATOM 0 HD1 TYR A 112 6.165 -1.351 -11.027 1.00 0.00 H new ATOM 0 HD2 TYR A 112 6.430 2.311 -13.190 1.00 0.00 H new ATOM 0 HE1 TYR A 112 3.943 -1.762 -11.992 1.00 0.00 H new ATOM 0 HE2 TYR A 112 4.207 1.906 -14.150 1.00 0.00 H new ATOM 0 HH TYR A 112 2.458 0.561 -14.262 1.00 0.00 H new ATOM 1869 N SER B 9 -2.199 1.699 9.280 1.00 0.00 N ATOM 1870 CA SER B 9 -3.611 2.053 9.224 1.00 0.00 C ATOM 1871 C SER B 9 -4.484 0.803 9.184 1.00 0.00 C ATOM 1872 O SER B 9 -3.993 -0.304 8.958 1.00 0.00 O ATOM 1873 CB SER B 9 -3.892 2.924 7.997 1.00 0.00 C ATOM 1874 OG SER B 9 -3.448 4.254 8.202 1.00 0.00 O ATOM 0 HA SER B 9 -3.854 2.616 10.125 1.00 0.00 H new ATOM 0 HB2 SER B 9 -3.393 2.501 7.125 1.00 0.00 H new ATOM 0 HB3 SER B 9 -4.961 2.923 7.784 1.00 0.00 H new ATOM 0 HG SER B 9 -4.121 4.880 7.862 1.00 0.00 H new ATOM 1880 N ASP B 10 -5.781 0.986 9.405 1.00 0.00 N ATOM 1881 CA ASP B 10 -6.724 -0.127 9.394 1.00 0.00 C ATOM 1882 C ASP B 10 -7.943 0.203 8.539 1.00 0.00 C ATOM 1883 O ASP B 10 -7.994 1.247 7.888 1.00 0.00 O ATOM 1884 CB ASP B 10 -7.162 -0.465 10.820 1.00 0.00 C ATOM 1885 CG ASP B 10 -6.282 -1.522 11.460 1.00 0.00 C ATOM 1886 OD1 ASP B 10 -5.985 -2.532 10.789 1.00 0.00 O ATOM 1887 OD2 ASP B 10 -5.892 -1.339 12.633 1.00 0.00 O ATOM 0 H ASP B 10 -6.204 1.895 9.594 1.00 0.00 H new ATOM 0 HA ASP B 10 -6.223 -0.993 8.961 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -7.140 0.439 11.428 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -8.194 -0.815 10.807 1.00 0.00 H new ATOM 1892 N LEU B 11 -8.922 -0.695 8.543 1.00 0.00 N ATOM 1893 CA LEU B 11 -10.142 -0.501 7.767 1.00 0.00 C ATOM 1894 C LEU B 11 -11.350 -0.337 8.684 1.00 0.00 C ATOM 1895 O LEU B 11 -11.215 -0.308 9.906 1.00 0.00 O ATOM 1896 CB LEU B 11 -10.361 -1.683 6.821 1.00 0.00 C ATOM 1897 CG LEU B 11 -9.280 -1.905 5.762 1.00 0.00 C ATOM 1898 CD1 LEU B 11 -9.645 -3.079 4.867 1.00 0.00 C ATOM 1899 CD2 LEU B 11 -9.077 -0.644 4.936 1.00 0.00 C ATOM 0 H LEU B 11 -8.895 -1.565 9.075 1.00 0.00 H new ATOM 0 HA LEU B 11 -10.029 0.410 7.180 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -10.447 -2.590 7.419 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -11.316 -1.544 6.313 1.00 0.00 H new ATOM 0 HG LEU B 11 -8.343 -2.138 6.268 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -8.865 -3.223 4.119 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -9.739 -3.981 5.471 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -10.593 -2.875 4.368 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -8.304 -0.820 4.187 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.011 -0.380 4.439 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -8.770 0.173 5.589 1.00 0.00 H new ATOM 1911 N ASN B 12 -12.532 -0.233 8.083 1.00 0.00 N ATOM 1912 CA ASN B 12 -13.765 -0.073 8.846 1.00 0.00 C ATOM 1913 C ASN B 12 -14.229 -1.410 9.414 1.00 0.00 C ATOM 1914 O ASN B 12 -14.578 -1.509 10.592 1.00 0.00 O ATOM 1915 CB ASN B 12 -14.861 0.526 7.963 1.00 0.00 C ATOM 1916 CG ASN B 12 -15.655 -0.535 7.226 1.00 0.00 C ATOM 1917 OD1 ASN B 12 -16.755 -0.902 7.639 1.00 0.00 O ATOM 1918 ND2 ASN B 12 -15.098 -1.035 6.128 1.00 0.00 N ATOM 0 H ASN B 12 -12.661 -0.257 7.072 1.00 0.00 H new ATOM 0 HA ASN B 12 -13.565 0.605 9.676 1.00 0.00 H new ATOM 0 HB2 ASN B 12 -15.537 1.119 8.580 1.00 0.00 H new ATOM 0 HB3 ASN B 12 -14.410 1.206 7.240 1.00 0.00 H new ATOM 0 HD21 ASN B 12 -15.585 -1.753 5.591 1.00 0.00 H new ATOM 0 HD22 ASN B 12 -14.184 -0.701 5.822 1.00 0.00 H new