USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 864 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 34 THR OG1 : rot -61:sc= 0.114 USER MOD Set 1.2: A 38 CYS SG : rot -136:sc= 1.12 USER MOD Set 1.3: A 41 CYS SG : rot 148:sc= -1.86! USER MOD Set 2.1: A 9 CYS SG : rot -3:sc= -5.04! USER MOD Set 2.2: A 14 THR OG1 : rot -150:sc= -0.121 USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.0518 X(o=-0.052,f=-0.35) USER MOD Single : A 11 THR OG1 : rot -167:sc= 0.0819 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.135 K(o=-0.13,f=-1.3) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -122:sc= -0.0326 (180deg=-2.1!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.635 X(o=-0.63,f=-0.98) USER MOD Single : A 27 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00202) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.832 K(o=-0.83,f=-1.7) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.00223 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 MET CE :methyl 134:sc= -0.91 (180deg=-2.91!) USER MOD Single : A 82 THR OG1 : rot 92:sc= 0.198 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00728) USER MOD Single : A 95 THR OG1 : rot -2:sc= 0.611 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 77:sc= 0.962 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.04) USER MOD ----------------------------------------------------------------- ATOM 28 N GLU A 3 -9.791 7.039 11.539 1.00 0.00 N ATOM 29 CA GLU A 3 -8.389 7.122 11.067 1.00 0.00 C ATOM 30 C GLU A 3 -8.119 5.941 10.087 1.00 0.00 C ATOM 31 O GLU A 3 -8.896 4.997 9.905 1.00 0.00 O ATOM 32 CB GLU A 3 -7.360 7.369 12.239 1.00 0.00 C ATOM 33 CG GLU A 3 -7.449 6.309 13.384 1.00 0.00 C ATOM 34 CD GLU A 3 -6.327 6.475 14.440 1.00 0.00 C ATOM 35 OE1 GLU A 3 -5.988 7.538 15.002 1.00 0.00 O ATOM 36 OE2 GLU A 3 -5.704 5.273 14.731 1.00 0.00 O ATOM 0 HA GLU A 3 -8.223 8.022 10.476 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -6.349 7.366 11.831 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -7.531 8.360 12.659 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -8.419 6.390 13.874 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.392 5.309 12.953 1.00 0.00 H new ATOM 44 N GLY A 4 -6.919 5.927 9.495 1.00 0.00 N ATOM 45 CA GLY A 4 -6.313 4.795 8.715 1.00 0.00 C ATOM 46 C GLY A 4 -5.904 3.604 9.564 1.00 0.00 C ATOM 47 O GLY A 4 -5.848 3.628 10.767 1.00 0.00 O ATOM 0 H GLY A 4 -6.298 6.735 9.538 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.029 4.462 7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.438 5.164 8.181 1.00 0.00 H new ATOM 51 N GLN A 5 -5.626 2.516 8.818 1.00 0.00 N ATOM 52 CA GLN A 5 -5.570 1.190 9.466 1.00 0.00 C ATOM 53 C GLN A 5 -4.575 0.326 8.612 1.00 0.00 C ATOM 54 O GLN A 5 -4.798 0.089 7.428 1.00 0.00 O ATOM 55 CB GLN A 5 -7.020 0.609 9.555 1.00 0.00 C ATOM 56 CG GLN A 5 -7.710 0.304 8.211 1.00 0.00 C ATOM 57 CD GLN A 5 -9.244 0.435 8.342 1.00 0.00 C ATOM 58 OE1 GLN A 5 -9.833 -0.221 9.207 1.00 0.00 O ATOM 59 NE2 GLN A 5 -9.835 1.291 7.578 1.00 0.00 N ATOM 0 H GLN A 5 -5.445 2.523 7.814 1.00 0.00 H new ATOM 0 HA GLN A 5 -5.203 1.216 10.492 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -6.986 -0.310 10.140 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -7.640 1.316 10.107 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -7.346 0.989 7.446 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.453 -0.704 7.885 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -9.299 1.806 6.879 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.838 1.452 7.673 1.00 0.00 H new ATOM 68 N VAL A 6 -3.547 -0.267 9.279 1.00 0.00 N ATOM 69 CA VAL A 6 -2.382 -1.114 8.799 1.00 0.00 C ATOM 70 C VAL A 6 -2.780 -2.591 9.212 1.00 0.00 C ATOM 71 O VAL A 6 -2.940 -2.878 10.426 1.00 0.00 O ATOM 72 CB VAL A 6 -1.008 -0.512 9.228 1.00 0.00 C ATOM 73 CG1 VAL A 6 0.220 -1.336 8.602 1.00 0.00 C ATOM 74 CG2 VAL A 6 -0.782 0.907 8.779 1.00 0.00 C ATOM 0 H VAL A 6 -3.495 -0.159 10.292 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.208 -1.129 7.723 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.047 -0.561 10.316 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.160 -0.887 8.923 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.176 -2.370 8.944 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.158 -1.311 7.514 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.196 1.245 9.120 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.824 0.955 7.691 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.555 1.549 9.200 1.00 0.00 H new ATOM 84 N ILE A 7 -2.872 -3.435 8.144 1.00 0.00 N ATOM 85 CA ILE A 7 -3.237 -4.931 8.101 1.00 0.00 C ATOM 86 C ILE A 7 -2.183 -5.602 7.115 1.00 0.00 C ATOM 87 O ILE A 7 -2.068 -5.258 5.923 1.00 0.00 O ATOM 88 CB ILE A 7 -4.747 -5.110 7.706 1.00 0.00 C ATOM 89 CG1 ILE A 7 -5.425 -6.237 8.524 1.00 0.00 C ATOM 90 CG2 ILE A 7 -5.125 -5.111 6.229 1.00 0.00 C ATOM 91 CD1 ILE A 7 -4.810 -7.600 8.659 1.00 0.00 C ATOM 0 H ILE A 7 -2.683 -3.085 7.205 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.166 -5.430 9.067 1.00 0.00 H new ATOM 0 HB ILE A 7 -5.176 -4.152 8.001 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -5.563 -5.853 9.535 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -6.418 -6.381 8.099 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -6.202 -5.245 6.129 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -4.834 -4.162 5.778 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.610 -5.927 5.722 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -5.453 -8.230 9.274 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -4.699 -8.048 7.672 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.831 -7.512 9.130 1.00 0.00 H new ATOM 103 N ALA A 8 -1.600 -6.712 7.611 1.00 0.00 N ATOM 104 CA ALA A 8 -1.035 -7.833 6.762 1.00 0.00 C ATOM 105 C ALA A 8 -1.988 -8.537 5.763 1.00 0.00 C ATOM 106 O ALA A 8 -3.238 -8.430 5.865 1.00 0.00 O ATOM 107 CB ALA A 8 -0.438 -8.887 7.721 1.00 0.00 C ATOM 0 H ALA A 8 -1.497 -6.877 8.612 1.00 0.00 H new ATOM 0 HA ALA A 8 -0.305 -7.351 6.111 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -0.021 -9.711 7.142 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.349 -8.429 8.320 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.221 -9.265 8.379 1.00 0.00 H new ATOM 113 N CYS A 9 -1.404 -9.088 4.670 1.00 0.00 N ATOM 114 CA CYS A 9 -2.070 -9.645 3.473 1.00 0.00 C ATOM 115 C CYS A 9 -1.150 -10.810 2.859 1.00 0.00 C ATOM 116 O CYS A 9 0.096 -10.793 2.748 1.00 0.00 O ATOM 117 CB CYS A 9 -2.208 -8.596 2.381 1.00 0.00 C ATOM 118 SG CYS A 9 -3.165 -7.155 3.008 1.00 0.00 S ATOM 0 H CYS A 9 -0.389 -9.158 4.600 1.00 0.00 H new ATOM 0 HA CYS A 9 -3.052 -10.005 3.779 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.221 -8.271 2.051 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.709 -9.026 1.514 1.00 0.00 H new ATOM 0 HG CYS A 9 -3.564 -7.394 4.222 1.00 0.00 H new ATOM 124 N HIS A 10 -1.826 -11.811 2.357 1.00 0.00 N ATOM 125 CA HIS A 10 -1.343 -13.230 2.324 1.00 0.00 C ATOM 126 C HIS A 10 -1.604 -14.014 1.008 1.00 0.00 C ATOM 127 O HIS A 10 -0.671 -14.643 0.542 1.00 0.00 O ATOM 128 CB HIS A 10 -1.857 -13.983 3.636 1.00 0.00 C ATOM 129 CG HIS A 10 -1.535 -13.334 5.000 1.00 0.00 C ATOM 130 ND1 HIS A 10 -2.486 -12.858 5.863 1.00 0.00 N ATOM 131 CD2 HIS A 10 -0.266 -13.013 5.453 1.00 0.00 C ATOM 132 CE1 HIS A 10 -1.696 -12.224 6.793 1.00 0.00 C ATOM 133 NE2 HIS A 10 -0.337 -12.345 6.663 1.00 0.00 N ATOM 0 H HIS A 10 -2.751 -11.694 1.943 1.00 0.00 H new ATOM 0 HA HIS A 10 -0.254 -13.191 2.329 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -2.939 -14.090 3.561 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -1.436 -14.989 3.634 1.00 0.00 H new ATOM 0 HD2 HIS A 10 0.651 -13.251 4.934 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -2.131 -11.651 7.598 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.410 -12.032 7.282 1.00 0.00 H new ATOM 141 N THR A 11 -2.831 -13.951 0.446 1.00 0.00 N ATOM 142 CA THR A 11 -3.420 -14.895 -0.564 1.00 0.00 C ATOM 143 C THR A 11 -4.388 -14.173 -1.625 1.00 0.00 C ATOM 144 O THR A 11 -4.561 -12.940 -1.620 1.00 0.00 O ATOM 145 CB THR A 11 -4.212 -16.121 0.150 1.00 0.00 C ATOM 146 OG1 THR A 11 -5.311 -15.567 0.751 1.00 0.00 O ATOM 147 CG2 THR A 11 -3.396 -16.968 1.071 1.00 0.00 C ATOM 0 H THR A 11 -3.482 -13.205 0.689 1.00 0.00 H new ATOM 0 HA THR A 11 -2.567 -15.290 -1.116 1.00 0.00 H new ATOM 0 HB THR A 11 -4.497 -16.850 -0.609 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.708 -16.216 1.368 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.022 -17.755 1.492 1.00 0.00 H new ATOM 0 HG22 THR A 11 -2.572 -17.418 0.517 1.00 0.00 H new ATOM 0 HG23 THR A 11 -2.998 -16.351 1.876 1.00 0.00 H new ATOM 155 N VAL A 12 -5.119 -14.964 -2.419 1.00 0.00 N ATOM 156 CA VAL A 12 -6.407 -14.437 -3.062 1.00 0.00 C ATOM 157 C VAL A 12 -7.479 -13.704 -2.156 1.00 0.00 C ATOM 158 O VAL A 12 -8.342 -12.909 -2.577 1.00 0.00 O ATOM 159 CB VAL A 12 -7.064 -15.556 -3.940 1.00 0.00 C ATOM 160 CG1 VAL A 12 -7.584 -16.787 -3.159 1.00 0.00 C ATOM 161 CG2 VAL A 12 -8.142 -15.026 -4.941 1.00 0.00 C ATOM 0 H VAL A 12 -4.887 -15.931 -2.646 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.048 -13.604 -3.666 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.221 -15.915 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.020 -17.503 -3.856 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.757 -17.257 -2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.342 -16.470 -2.443 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.550 -15.860 -5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.944 -14.539 -4.387 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -7.684 -14.309 -5.623 1.00 0.00 H new ATOM 171 N ASP A 13 -7.415 -13.896 -0.806 1.00 0.00 N ATOM 172 CA ASP A 13 -8.109 -13.062 0.169 1.00 0.00 C ATOM 173 C ASP A 13 -7.802 -11.572 0.097 1.00 0.00 C ATOM 174 O ASP A 13 -8.789 -10.840 0.123 1.00 0.00 O ATOM 175 CB ASP A 13 -7.624 -13.548 1.608 1.00 0.00 C ATOM 176 CG ASP A 13 -8.188 -14.785 2.240 1.00 0.00 C ATOM 177 OD1 ASP A 13 -7.507 -15.760 2.534 1.00 0.00 O ATOM 178 OD2 ASP A 13 -9.508 -14.657 2.649 1.00 0.00 O ATOM 0 H ASP A 13 -6.870 -14.646 -0.380 1.00 0.00 H new ATOM 0 HA ASP A 13 -9.174 -13.172 -0.034 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -6.544 -13.684 1.551 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.806 -12.726 2.300 1.00 0.00 H new ATOM 184 N THR A 14 -6.582 -11.156 -0.043 1.00 0.00 N ATOM 185 CA THR A 14 -6.291 -9.698 -0.397 1.00 0.00 C ATOM 186 C THR A 14 -6.901 -9.150 -1.718 1.00 0.00 C ATOM 187 O THR A 14 -7.320 -7.980 -1.773 1.00 0.00 O ATOM 188 CB THR A 14 -4.827 -9.268 -0.087 1.00 0.00 C ATOM 189 OG1 THR A 14 -4.731 -7.824 0.001 1.00 0.00 O ATOM 190 CG2 THR A 14 -3.841 -9.556 -1.278 1.00 0.00 C ATOM 0 H THR A 14 -5.756 -11.744 0.067 1.00 0.00 H new ATOM 0 HA THR A 14 -6.900 -9.144 0.317 1.00 0.00 H new ATOM 0 HB THR A 14 -4.576 -9.813 0.823 1.00 0.00 H new ATOM 0 HG1 THR A 14 -3.836 -7.538 -0.278 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.836 -9.235 -1.004 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.835 -10.624 -1.495 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.168 -9.008 -2.162 1.00 0.00 H new ATOM 198 N TRP A 15 -7.057 -10.009 -2.790 1.00 0.00 N ATOM 199 CA TRP A 15 -8.023 -9.671 -3.896 1.00 0.00 C ATOM 200 C TRP A 15 -9.485 -9.294 -3.508 1.00 0.00 C ATOM 201 O TRP A 15 -10.091 -8.375 -4.077 1.00 0.00 O ATOM 202 CB TRP A 15 -8.027 -10.800 -4.965 1.00 0.00 C ATOM 203 CG TRP A 15 -6.910 -10.650 -6.027 1.00 0.00 C ATOM 204 CD1 TRP A 15 -5.594 -11.164 -5.951 1.00 0.00 C ATOM 205 CD2 TRP A 15 -7.021 -10.015 -7.231 1.00 0.00 C ATOM 206 NE1 TRP A 15 -4.801 -10.686 -7.040 1.00 0.00 N ATOM 207 CE2 TRP A 15 -5.724 -10.027 -7.851 1.00 0.00 C ATOM 208 CE3 TRP A 15 -8.115 -9.371 -7.909 1.00 0.00 C ATOM 209 CZ2 TRP A 15 -5.503 -9.379 -9.092 1.00 0.00 C ATOM 210 CZ3 TRP A 15 -7.871 -8.754 -9.181 1.00 0.00 C ATOM 211 CH2 TRP A 15 -6.574 -8.764 -9.751 1.00 0.00 C ATOM 0 H TRP A 15 -6.556 -10.890 -2.906 1.00 0.00 H new ATOM 0 HA TRP A 15 -7.627 -8.734 -4.287 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -7.916 -11.762 -4.466 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -8.995 -10.811 -5.466 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -5.237 -11.827 -5.176 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -3.798 -10.800 -7.188 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -9.101 -9.353 -7.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -4.514 -9.360 -9.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -8.684 -8.277 -9.709 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -6.409 -8.290 -10.708 1.00 0.00 H new ATOM 222 N LYS A 16 -9.989 -9.995 -2.464 1.00 0.00 N ATOM 223 CA LYS A 16 -11.101 -9.439 -1.661 1.00 0.00 C ATOM 224 C LYS A 16 -10.876 -8.043 -0.999 1.00 0.00 C ATOM 225 O LYS A 16 -11.812 -7.287 -1.147 1.00 0.00 O ATOM 226 CB LYS A 16 -11.732 -10.408 -0.613 1.00 0.00 C ATOM 227 CG LYS A 16 -11.971 -11.848 -0.967 1.00 0.00 C ATOM 228 CD LYS A 16 -12.789 -12.668 0.158 1.00 0.00 C ATOM 229 CE LYS A 16 -12.049 -13.184 1.355 1.00 0.00 C ATOM 230 NZ LYS A 16 -12.882 -13.734 2.472 1.00 0.00 N ATOM 0 H LYS A 16 -9.657 -10.913 -2.167 1.00 0.00 H new ATOM 0 HA LYS A 16 -11.818 -9.289 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.091 -10.393 0.268 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -12.691 -9.984 -0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -12.519 -11.895 -1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -11.011 -12.336 -1.133 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.591 -12.024 0.518 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -13.260 -13.520 -0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -11.366 -13.966 1.023 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -11.437 -12.374 1.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -12.261 -14.059 3.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.517 -12.992 2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -13.447 -14.534 2.122 1.00 0.00 H new ATOM 243 N GLU A 17 -9.884 -7.822 -0.136 1.00 0.00 N ATOM 244 CA GLU A 17 -9.626 -6.509 0.523 1.00 0.00 C ATOM 245 C GLU A 17 -9.294 -5.335 -0.489 1.00 0.00 C ATOM 246 O GLU A 17 -10.058 -4.382 -0.629 1.00 0.00 O ATOM 247 CB GLU A 17 -8.538 -6.726 1.672 1.00 0.00 C ATOM 248 CG GLU A 17 -8.900 -7.702 2.793 1.00 0.00 C ATOM 249 CD GLU A 17 -7.763 -8.111 3.688 1.00 0.00 C ATOM 250 OE1 GLU A 17 -7.291 -9.221 3.598 1.00 0.00 O ATOM 251 OE2 GLU A 17 -7.354 -7.158 4.508 1.00 0.00 O ATOM 0 H GLU A 17 -9.221 -8.547 0.139 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.547 -6.155 0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.616 -7.073 1.205 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.322 -5.757 2.122 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.678 -7.250 3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.328 -8.599 2.346 1.00 0.00 H new ATOM 259 N HIS A 18 -8.197 -5.424 -1.197 1.00 0.00 N ATOM 260 CA HIS A 18 -7.641 -4.468 -2.175 1.00 0.00 C ATOM 261 C HIS A 18 -8.584 -4.060 -3.352 1.00 0.00 C ATOM 262 O HIS A 18 -8.894 -2.899 -3.508 1.00 0.00 O ATOM 263 CB HIS A 18 -6.295 -5.089 -2.651 1.00 0.00 C ATOM 264 CG HIS A 18 -5.334 -4.325 -3.553 1.00 0.00 C ATOM 265 ND1 HIS A 18 -5.753 -3.625 -4.646 1.00 0.00 N ATOM 266 CD2 HIS A 18 -3.978 -4.632 -3.681 1.00 0.00 C ATOM 267 CE1 HIS A 18 -4.472 -3.366 -5.178 1.00 0.00 C ATOM 268 NE2 HIS A 18 -3.370 -3.974 -4.743 1.00 0.00 N ATOM 0 H HIS A 18 -7.596 -6.243 -1.108 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.499 -3.503 -1.688 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -5.738 -5.360 -1.754 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -6.541 -6.018 -3.166 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.456 -5.311 -3.023 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.381 -2.642 -5.974 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -2.406 -3.961 -5.076 1.00 0.00 H new ATOM 276 N PHE A 19 -9.015 -5.023 -4.140 1.00 0.00 N ATOM 277 CA PHE A 19 -9.985 -4.824 -5.251 1.00 0.00 C ATOM 278 C PHE A 19 -11.370 -4.235 -4.861 1.00 0.00 C ATOM 279 O PHE A 19 -11.638 -3.128 -5.334 1.00 0.00 O ATOM 280 CB PHE A 19 -10.043 -6.014 -6.195 1.00 0.00 C ATOM 281 CG PHE A 19 -10.233 -5.750 -7.718 1.00 0.00 C ATOM 282 CD1 PHE A 19 -9.199 -5.270 -8.552 1.00 0.00 C ATOM 283 CD2 PHE A 19 -11.439 -6.114 -8.315 1.00 0.00 C ATOM 284 CE1 PHE A 19 -9.442 -4.956 -9.918 1.00 0.00 C ATOM 285 CE2 PHE A 19 -11.673 -5.790 -9.653 1.00 0.00 C ATOM 286 CZ PHE A 19 -10.667 -5.247 -10.483 1.00 0.00 C ATOM 0 H PHE A 19 -8.709 -5.991 -4.043 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.561 -4.001 -5.827 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -9.120 -6.581 -6.070 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -10.859 -6.657 -5.866 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.207 -5.139 -8.146 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -12.188 -6.644 -7.746 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.669 -4.491 -10.512 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -12.656 -5.960 -10.067 1.00 0.00 H new ATOM 0 HZ PHE A 19 -10.852 -5.065 -11.531 1.00 0.00 H new ATOM 296 N GLU A 20 -12.155 -4.896 -4.003 1.00 0.00 N ATOM 297 CA GLU A 20 -13.438 -4.377 -3.457 1.00 0.00 C ATOM 298 C GLU A 20 -13.519 -2.967 -2.889 1.00 0.00 C ATOM 299 O GLU A 20 -14.398 -2.200 -3.275 1.00 0.00 O ATOM 300 CB GLU A 20 -14.116 -5.402 -2.515 1.00 0.00 C ATOM 301 CG GLU A 20 -14.376 -6.831 -3.069 1.00 0.00 C ATOM 302 CD GLU A 20 -15.545 -6.852 -4.066 1.00 0.00 C ATOM 303 OE1 GLU A 20 -15.573 -6.191 -5.101 1.00 0.00 O ATOM 304 OE2 GLU A 20 -16.508 -7.692 -3.655 1.00 0.00 O ATOM 0 H GLU A 20 -11.922 -5.826 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.998 -4.250 -4.384 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -13.499 -5.496 -1.622 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -15.073 -4.986 -2.199 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.475 -7.201 -3.558 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.591 -7.508 -2.242 1.00 0.00 H new ATOM 312 N LYS A 21 -12.638 -2.682 -1.875 1.00 0.00 N ATOM 313 CA LYS A 21 -12.346 -1.272 -1.452 1.00 0.00 C ATOM 314 C LYS A 21 -11.855 -0.277 -2.540 1.00 0.00 C ATOM 315 O LYS A 21 -12.608 0.645 -2.915 1.00 0.00 O ATOM 316 CB LYS A 21 -11.471 -1.170 -0.192 1.00 0.00 C ATOM 317 CG LYS A 21 -11.847 -2.005 1.080 1.00 0.00 C ATOM 318 CD LYS A 21 -13.245 -1.872 1.741 1.00 0.00 C ATOM 319 CE LYS A 21 -13.497 -2.875 2.908 1.00 0.00 C ATOM 320 NZ LYS A 21 -12.806 -2.459 4.116 1.00 0.00 N ATOM 0 H LYS A 21 -12.130 -3.392 -1.348 1.00 0.00 H new ATOM 0 HA LYS A 21 -13.354 -0.932 -1.215 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.456 -1.448 -0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.444 -0.121 0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.715 -3.056 0.822 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.108 -1.769 1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -13.361 -0.856 2.118 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.010 -2.018 0.979 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -14.567 -2.947 3.104 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -13.158 -3.869 2.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -12.991 -3.145 4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.783 -2.414 3.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -13.148 -1.520 4.406 1.00 0.00 H new ATOM 333 N GLY A 22 -10.711 -0.580 -3.174 1.00 0.00 N ATOM 334 CA GLY A 22 -10.127 0.209 -4.275 1.00 0.00 C ATOM 335 C GLY A 22 -11.054 0.683 -5.429 1.00 0.00 C ATOM 336 O GLY A 22 -11.505 1.856 -5.479 1.00 0.00 O ATOM 0 H GLY A 22 -10.152 -1.398 -2.931 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.665 1.094 -3.838 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.326 -0.383 -4.717 1.00 0.00 H new ATOM 340 N LYS A 23 -11.202 -0.194 -6.411 1.00 0.00 N ATOM 341 CA LYS A 23 -12.369 -0.215 -7.316 1.00 0.00 C ATOM 342 C LYS A 23 -13.673 -0.674 -6.557 1.00 0.00 C ATOM 343 O LYS A 23 -14.048 -1.870 -6.476 1.00 0.00 O ATOM 344 CB LYS A 23 -12.185 -1.005 -8.598 1.00 0.00 C ATOM 345 CG LYS A 23 -13.307 -0.748 -9.609 1.00 0.00 C ATOM 346 CD LYS A 23 -13.431 -1.793 -10.670 1.00 0.00 C ATOM 347 CE LYS A 23 -12.277 -2.049 -11.618 1.00 0.00 C ATOM 348 NZ LYS A 23 -11.949 -0.831 -12.456 1.00 0.00 N ATOM 0 H LYS A 23 -10.517 -0.922 -6.614 1.00 0.00 H new ATOM 0 HA LYS A 23 -12.479 0.820 -7.639 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -11.227 -0.744 -9.048 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -12.147 -2.069 -8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -14.254 -0.677 -9.073 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -13.137 0.218 -10.085 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.657 -2.736 -10.172 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.299 -1.537 -11.277 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.397 -2.343 -11.046 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.525 -2.884 -12.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -12.028 -1.072 -13.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.615 -0.065 -12.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.979 -0.519 -12.250 1.00 0.00 H new ATOM 361 N GLY A 24 -14.428 0.319 -6.197 1.00 0.00 N ATOM 362 CA GLY A 24 -15.877 0.180 -5.876 1.00 0.00 C ATOM 363 C GLY A 24 -16.424 1.249 -4.881 1.00 0.00 C ATOM 364 O GLY A 24 -17.368 1.976 -5.184 1.00 0.00 O ATOM 0 H GLY A 24 -14.082 1.274 -6.107 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -16.449 0.238 -6.802 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -16.050 -0.811 -5.456 1.00 0.00 H new ATOM 368 N SER A 25 -15.722 1.257 -3.810 1.00 0.00 N ATOM 369 CA SER A 25 -15.834 2.250 -2.714 1.00 0.00 C ATOM 370 C SER A 25 -15.010 3.588 -3.060 1.00 0.00 C ATOM 371 O SER A 25 -13.868 3.450 -3.411 1.00 0.00 O ATOM 372 CB SER A 25 -15.455 1.674 -1.393 1.00 0.00 C ATOM 373 OG SER A 25 -16.162 0.433 -1.251 1.00 0.00 O ATOM 0 H SER A 25 -15.007 0.552 -3.628 1.00 0.00 H new ATOM 0 HA SER A 25 -16.884 2.530 -2.630 1.00 0.00 H new ATOM 0 HB2 SER A 25 -14.379 1.512 -1.339 1.00 0.00 H new ATOM 0 HB3 SER A 25 -15.715 2.359 -0.586 1.00 0.00 H new ATOM 0 HG SER A 25 -15.934 0.023 -0.390 1.00 0.00 H new ATOM 379 N GLN A 26 -15.659 4.755 -2.912 1.00 0.00 N ATOM 380 CA GLN A 26 -15.050 6.074 -2.809 1.00 0.00 C ATOM 381 C GLN A 26 -13.986 6.313 -1.656 1.00 0.00 C ATOM 382 O GLN A 26 -14.209 6.993 -0.639 1.00 0.00 O ATOM 383 CB GLN A 26 -16.205 7.089 -2.861 1.00 0.00 C ATOM 384 CG GLN A 26 -17.129 7.168 -4.117 1.00 0.00 C ATOM 385 CD GLN A 26 -18.294 6.108 -4.114 1.00 0.00 C ATOM 386 OE1 GLN A 26 -18.931 5.886 -3.054 1.00 0.00 O ATOM 387 NE2 GLN A 26 -18.480 5.412 -5.276 1.00 0.00 N ATOM 0 H GLN A 26 -16.677 4.796 -2.859 1.00 0.00 H new ATOM 0 HA GLN A 26 -14.373 6.203 -3.654 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.846 6.893 -2.001 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -15.772 8.079 -2.717 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.559 8.168 -4.178 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.523 7.027 -5.012 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -17.929 5.643 -6.103 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -19.170 4.662 -5.316 1.00 0.00 H new ATOM 396 N LYS A 27 -12.770 5.815 -1.879 1.00 0.00 N ATOM 397 CA LYS A 27 -11.576 5.909 -1.003 1.00 0.00 C ATOM 398 C LYS A 27 -10.283 5.697 -1.890 1.00 0.00 C ATOM 399 O LYS A 27 -10.314 5.099 -3.000 1.00 0.00 O ATOM 400 CB LYS A 27 -11.677 4.933 0.215 1.00 0.00 C ATOM 401 CG LYS A 27 -11.542 3.390 0.062 1.00 0.00 C ATOM 402 CD LYS A 27 -11.514 2.644 1.425 1.00 0.00 C ATOM 403 CE LYS A 27 -12.922 2.378 2.002 1.00 0.00 C ATOM 404 NZ LYS A 27 -12.803 1.653 3.274 1.00 0.00 N ATOM 0 H LYS A 27 -12.567 5.297 -2.734 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.513 6.900 -0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.914 5.244 0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -12.644 5.117 0.683 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.374 3.015 -0.534 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -10.629 3.164 -0.488 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.994 1.694 1.301 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.940 3.231 2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -13.447 3.321 2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.513 1.797 1.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -13.752 1.459 3.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.303 0.755 3.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -12.270 2.231 3.954 1.00 0.00 H new ATOM 417 N LEU A 28 -9.228 6.241 -1.381 1.00 0.00 N ATOM 418 CA LEU A 28 -7.860 5.757 -1.610 1.00 0.00 C ATOM 419 C LEU A 28 -7.527 4.443 -0.748 1.00 0.00 C ATOM 420 O LEU A 28 -7.976 4.182 0.369 1.00 0.00 O ATOM 421 CB LEU A 28 -6.917 7.013 -1.502 1.00 0.00 C ATOM 422 CG LEU A 28 -5.423 6.889 -1.871 1.00 0.00 C ATOM 423 CD1 LEU A 28 -5.197 6.613 -3.350 1.00 0.00 C ATOM 424 CD2 LEU A 28 -4.674 8.141 -1.514 1.00 0.00 C ATOM 0 H LEU A 28 -9.269 7.059 -0.773 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.696 5.351 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.343 7.794 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.969 7.370 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 28 -5.052 6.040 -1.297 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.128 6.536 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.684 5.677 -3.624 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.617 7.427 -3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.624 8.027 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.098 8.986 -2.056 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -4.755 8.320 -0.442 1.00 0.00 H new ATOM 436 N ILE A 29 -6.602 3.671 -1.320 1.00 0.00 N ATOM 437 CA ILE A 29 -6.027 2.423 -0.777 1.00 0.00 C ATOM 438 C ILE A 29 -4.519 2.520 -1.317 1.00 0.00 C ATOM 439 O ILE A 29 -4.161 2.722 -2.508 1.00 0.00 O ATOM 440 CB ILE A 29 -6.747 1.125 -1.057 1.00 0.00 C ATOM 441 CG1 ILE A 29 -6.652 0.501 -2.481 1.00 0.00 C ATOM 442 CG2 ILE A 29 -8.313 1.253 -0.740 1.00 0.00 C ATOM 443 CD1 ILE A 29 -6.844 -0.982 -2.509 1.00 0.00 C ATOM 0 H ILE A 29 -6.205 3.908 -2.229 1.00 0.00 H new ATOM 0 HA ILE A 29 -6.117 2.367 0.308 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.200 0.454 -0.395 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.402 0.966 -3.121 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.677 0.739 -2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.806 0.304 -0.951 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.452 1.509 0.310 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.748 2.034 -1.364 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -6.763 -1.340 -3.535 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.079 -1.460 -1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.830 -1.229 -2.115 1.00 0.00 H new ATOM 455 N VAL A 30 -3.626 2.454 -0.389 1.00 0.00 N ATOM 456 CA VAL A 30 -2.156 2.550 -0.471 1.00 0.00 C ATOM 457 C VAL A 30 -1.675 1.217 0.075 1.00 0.00 C ATOM 458 O VAL A 30 -2.011 0.821 1.220 1.00 0.00 O ATOM 459 CB VAL A 30 -1.513 3.833 0.200 1.00 0.00 C ATOM 460 CG1 VAL A 30 0.032 3.989 -0.066 1.00 0.00 C ATOM 461 CG2 VAL A 30 -2.220 5.123 -0.174 1.00 0.00 C ATOM 0 H VAL A 30 -3.917 2.314 0.578 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.822 2.712 -1.496 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.652 3.656 1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.397 4.891 0.426 1.00 0.00 H new ATOM 0 HG12 VAL A 30 0.559 3.121 0.330 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.211 4.064 -1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -1.730 5.963 0.319 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -2.177 5.261 -1.254 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.261 5.073 0.145 1.00 0.00 H new ATOM 471 N VAL A 31 -0.562 0.704 -0.605 1.00 0.00 N ATOM 472 CA VAL A 31 -0.194 -0.735 -0.509 1.00 0.00 C ATOM 473 C VAL A 31 1.283 -0.873 -0.687 1.00 0.00 C ATOM 474 O VAL A 31 1.730 -0.777 -1.821 1.00 0.00 O ATOM 475 CB VAL A 31 -1.164 -1.705 -1.242 1.00 0.00 C ATOM 476 CG1 VAL A 31 -1.448 -1.496 -2.723 1.00 0.00 C ATOM 477 CG2 VAL A 31 -0.917 -3.203 -1.001 1.00 0.00 C ATOM 0 H VAL A 31 0.055 1.262 -1.195 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.374 -1.119 0.495 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.066 -1.383 -0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.143 -2.260 -3.072 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.887 -0.510 -2.874 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.517 -1.568 -3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.649 -3.787 -1.559 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.087 -3.465 -1.336 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.013 -3.421 0.063 1.00 0.00 H new ATOM 487 N ASP A 32 2.024 -1.110 0.383 1.00 0.00 N ATOM 488 CA ASP A 32 3.281 -1.880 0.326 1.00 0.00 C ATOM 489 C ASP A 32 3.286 -3.350 -0.208 1.00 0.00 C ATOM 490 O ASP A 32 2.463 -4.234 0.052 1.00 0.00 O ATOM 491 CB ASP A 32 3.858 -1.822 1.775 1.00 0.00 C ATOM 492 CG ASP A 32 5.347 -1.960 1.884 1.00 0.00 C ATOM 493 OD1 ASP A 32 5.930 -2.113 2.944 1.00 0.00 O ATOM 494 OD2 ASP A 32 5.972 -1.740 0.666 1.00 0.00 O ATOM 0 H ASP A 32 1.783 -0.781 1.318 1.00 0.00 H new ATOM 0 HA ASP A 32 3.878 -1.406 -0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.565 -0.874 2.226 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.393 -2.613 2.364 1.00 0.00 H new ATOM 500 N PHE A 33 4.311 -3.701 -0.935 1.00 0.00 N ATOM 501 CA PHE A 33 4.739 -4.981 -1.580 1.00 0.00 C ATOM 502 C PHE A 33 6.193 -5.092 -1.139 1.00 0.00 C ATOM 503 O PHE A 33 7.088 -4.278 -1.596 1.00 0.00 O ATOM 504 CB PHE A 33 4.695 -4.790 -3.136 1.00 0.00 C ATOM 505 CG PHE A 33 3.180 -5.029 -3.664 1.00 0.00 C ATOM 506 CD1 PHE A 33 2.648 -6.280 -3.737 1.00 0.00 C ATOM 507 CD2 PHE A 33 2.456 -3.903 -3.963 1.00 0.00 C ATOM 508 CE1 PHE A 33 1.293 -6.394 -4.024 1.00 0.00 C ATOM 509 CE2 PHE A 33 1.050 -4.004 -4.170 1.00 0.00 C ATOM 510 CZ PHE A 33 0.482 -5.285 -4.232 1.00 0.00 C ATOM 0 H PHE A 33 5.008 -2.986 -1.142 1.00 0.00 H new ATOM 0 HA PHE A 33 4.127 -5.845 -1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.030 -3.787 -3.400 1.00 0.00 H new ATOM 0 HB3 PHE A 33 5.375 -5.491 -3.619 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.259 -7.156 -3.577 1.00 0.00 H new ATOM 0 HD2 PHE A 33 2.949 -2.945 -4.041 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.855 -7.379 -4.088 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.439 -3.120 -4.276 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.571 -5.408 -4.439 1.00 0.00 H new ATOM 520 N THR A 34 6.406 -6.082 -0.253 1.00 0.00 N ATOM 521 CA THR A 34 7.652 -6.213 0.565 1.00 0.00 C ATOM 522 C THR A 34 7.827 -7.736 0.699 1.00 0.00 C ATOM 523 O THR A 34 6.897 -8.531 0.773 1.00 0.00 O ATOM 524 CB THR A 34 7.508 -5.596 1.977 1.00 0.00 C ATOM 525 OG1 THR A 34 8.623 -5.711 2.801 1.00 0.00 O ATOM 526 CG2 THR A 34 6.406 -6.263 2.834 1.00 0.00 C ATOM 0 H THR A 34 5.725 -6.821 -0.075 1.00 0.00 H new ATOM 0 HA THR A 34 8.489 -5.694 0.098 1.00 0.00 H new ATOM 0 HB THR A 34 7.301 -4.559 1.711 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.823 -6.659 2.950 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.362 -5.780 3.810 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.443 -6.159 2.334 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.636 -7.321 2.963 1.00 0.00 H new ATOM 534 N ALA A 35 9.122 -8.147 0.860 1.00 0.00 N ATOM 535 CA ALA A 35 9.599 -9.428 1.500 1.00 0.00 C ATOM 536 C ALA A 35 9.720 -9.388 3.016 1.00 0.00 C ATOM 537 O ALA A 35 9.876 -8.292 3.618 1.00 0.00 O ATOM 538 CB ALA A 35 10.975 -9.677 0.890 1.00 0.00 C ATOM 0 H ALA A 35 9.901 -7.574 0.535 1.00 0.00 H new ATOM 0 HA ALA A 35 8.866 -10.212 1.310 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.396 -10.594 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.881 -9.776 -0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.633 -8.839 1.122 1.00 0.00 H new ATOM 544 N SER A 36 9.726 -10.550 3.680 1.00 0.00 N ATOM 545 CA SER A 36 10.199 -10.765 5.067 1.00 0.00 C ATOM 546 C SER A 36 11.751 -10.435 5.125 1.00 0.00 C ATOM 547 O SER A 36 12.201 -9.700 6.015 1.00 0.00 O ATOM 548 CB SER A 36 9.925 -12.137 5.673 1.00 0.00 C ATOM 549 OG SER A 36 9.809 -12.157 7.077 1.00 0.00 O ATOM 0 H SER A 36 9.387 -11.411 3.251 1.00 0.00 H new ATOM 0 HA SER A 36 9.609 -10.090 5.687 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.004 -12.530 5.242 1.00 0.00 H new ATOM 0 HB3 SER A 36 10.728 -12.813 5.380 1.00 0.00 H new ATOM 0 HG SER A 36 9.633 -13.073 7.378 1.00 0.00 H new ATOM 555 N TRP A 37 12.587 -10.884 4.126 1.00 0.00 N ATOM 556 CA TRP A 37 13.986 -10.375 3.795 1.00 0.00 C ATOM 557 C TRP A 37 14.127 -8.876 3.217 1.00 0.00 C ATOM 558 O TRP A 37 14.605 -8.632 2.115 1.00 0.00 O ATOM 559 CB TRP A 37 14.733 -11.478 3.037 1.00 0.00 C ATOM 560 CG TRP A 37 14.116 -11.975 1.746 1.00 0.00 C ATOM 561 CD1 TRP A 37 13.091 -13.002 1.674 1.00 0.00 C ATOM 562 CD2 TRP A 37 14.327 -11.617 0.414 1.00 0.00 C ATOM 563 NE1 TRP A 37 12.904 -13.442 0.390 1.00 0.00 N ATOM 564 CE2 TRP A 37 13.583 -12.467 -0.390 1.00 0.00 C ATOM 565 CE3 TRP A 37 15.253 -10.708 -0.139 1.00 0.00 C ATOM 566 CZ2 TRP A 37 13.606 -12.305 -1.788 1.00 0.00 C ATOM 567 CZ3 TRP A 37 15.269 -10.585 -1.492 1.00 0.00 C ATOM 568 CH2 TRP A 37 14.515 -11.380 -2.355 1.00 0.00 C ATOM 0 H TRP A 37 12.302 -11.638 3.501 1.00 0.00 H new ATOM 0 HA TRP A 37 14.495 -10.191 4.741 1.00 0.00 H new ATOM 0 HB2 TRP A 37 15.736 -11.114 2.813 1.00 0.00 H new ATOM 0 HB3 TRP A 37 14.846 -12.330 3.707 1.00 0.00 H new ATOM 0 HD1 TRP A 37 12.544 -13.373 2.528 1.00 0.00 H new ATOM 0 HE1 TRP A 37 12.400 -14.269 0.071 1.00 0.00 H new ATOM 0 HE3 TRP A 37 15.921 -10.134 0.486 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 12.941 -12.877 -2.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 15.904 -9.826 -1.925 1.00 0.00 H new ATOM 0 HH2 TRP A 37 14.622 -11.292 -3.426 1.00 0.00 H new ATOM 579 N CYS A 38 13.812 -7.886 4.082 1.00 0.00 N ATOM 580 CA CYS A 38 13.806 -6.431 3.681 1.00 0.00 C ATOM 581 C CYS A 38 13.755 -5.554 4.974 1.00 0.00 C ATOM 582 O CYS A 38 12.693 -5.252 5.474 1.00 0.00 O ATOM 583 CB CYS A 38 12.603 -6.128 2.735 1.00 0.00 C ATOM 584 SG CYS A 38 12.245 -4.388 2.455 1.00 0.00 S ATOM 0 H CYS A 38 13.559 -8.049 5.057 1.00 0.00 H new ATOM 0 HA CYS A 38 14.715 -6.194 3.128 1.00 0.00 H new ATOM 0 HB2 CYS A 38 12.796 -6.599 1.771 1.00 0.00 H new ATOM 0 HB3 CYS A 38 11.712 -6.601 3.149 1.00 0.00 H new ATOM 0 HG CYS A 38 10.962 -4.192 2.525 1.00 0.00 H new ATOM 590 N PRO A 39 14.915 -5.201 5.538 1.00 0.00 N ATOM 591 CA PRO A 39 15.074 -4.170 6.545 1.00 0.00 C ATOM 592 C PRO A 39 14.539 -2.728 6.242 1.00 0.00 C ATOM 593 O PRO A 39 13.926 -2.124 7.136 1.00 0.00 O ATOM 594 CB PRO A 39 16.566 -4.106 6.918 1.00 0.00 C ATOM 595 CG PRO A 39 17.026 -5.521 6.593 1.00 0.00 C ATOM 596 CD PRO A 39 16.225 -5.869 5.333 1.00 0.00 C ATOM 0 HA PRO A 39 14.421 -4.486 7.358 1.00 0.00 H new ATOM 0 HB2 PRO A 39 17.102 -3.357 6.335 1.00 0.00 H new ATOM 0 HB3 PRO A 39 16.715 -3.858 7.969 1.00 0.00 H new ATOM 0 HG2 PRO A 39 18.100 -5.564 6.412 1.00 0.00 H new ATOM 0 HG3 PRO A 39 16.813 -6.211 7.409 1.00 0.00 H new ATOM 0 HD2 PRO A 39 16.721 -5.506 4.433 1.00 0.00 H new ATOM 0 HD3 PRO A 39 16.109 -6.947 5.220 1.00 0.00 H new ATOM 604 N PRO A 40 14.770 -2.078 5.026 1.00 0.00 N ATOM 605 CA PRO A 40 13.907 -0.842 4.608 1.00 0.00 C ATOM 606 C PRO A 40 12.347 -0.773 4.866 1.00 0.00 C ATOM 607 O PRO A 40 11.798 0.327 5.163 1.00 0.00 O ATOM 608 CB PRO A 40 14.303 -0.772 3.123 1.00 0.00 C ATOM 609 CG PRO A 40 15.666 -1.360 2.962 1.00 0.00 C ATOM 610 CD PRO A 40 15.612 -2.587 3.902 1.00 0.00 C ATOM 0 HA PRO A 40 14.121 0.008 5.256 1.00 0.00 H new ATOM 0 HB2 PRO A 40 13.582 -1.317 2.514 1.00 0.00 H new ATOM 0 HB3 PRO A 40 14.295 0.262 2.778 1.00 0.00 H new ATOM 0 HG2 PRO A 40 15.865 -1.648 1.930 1.00 0.00 H new ATOM 0 HG3 PRO A 40 16.448 -0.659 3.254 1.00 0.00 H new ATOM 0 HD2 PRO A 40 15.164 -3.454 3.416 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.604 -2.887 4.239 1.00 0.00 H new ATOM 618 N CYS A 41 11.645 -1.792 4.470 1.00 0.00 N ATOM 619 CA CYS A 41 10.264 -2.028 4.935 1.00 0.00 C ATOM 620 C CYS A 41 10.059 -2.440 6.435 1.00 0.00 C ATOM 621 O CYS A 41 9.040 -2.139 7.042 1.00 0.00 O ATOM 622 CB CYS A 41 9.301 -2.838 4.009 1.00 0.00 C ATOM 623 SG CYS A 41 9.502 -2.335 2.317 1.00 0.00 S ATOM 0 H CYS A 41 11.990 -2.496 3.817 1.00 0.00 H new ATOM 0 HA CYS A 41 9.948 -0.988 4.854 1.00 0.00 H new ATOM 0 HB2 CYS A 41 9.505 -3.904 4.105 1.00 0.00 H new ATOM 0 HB3 CYS A 41 8.269 -2.682 4.321 1.00 0.00 H new ATOM 0 HG CYS A 41 9.280 -3.349 1.534 1.00 0.00 H new ATOM 629 N LYS A 42 10.979 -3.107 7.113 1.00 0.00 N ATOM 630 CA LYS A 42 11.050 -3.194 8.569 1.00 0.00 C ATOM 631 C LYS A 42 10.915 -1.828 9.354 1.00 0.00 C ATOM 632 O LYS A 42 10.126 -1.710 10.265 1.00 0.00 O ATOM 633 CB LYS A 42 12.261 -4.085 9.067 1.00 0.00 C ATOM 634 CG LYS A 42 12.198 -4.442 10.581 1.00 0.00 C ATOM 635 CD LYS A 42 13.454 -5.204 11.110 1.00 0.00 C ATOM 636 CE LYS A 42 13.527 -5.540 12.610 1.00 0.00 C ATOM 637 NZ LYS A 42 12.445 -6.450 13.042 1.00 0.00 N ATOM 0 H LYS A 42 11.727 -3.623 6.650 1.00 0.00 H new ATOM 0 HA LYS A 42 10.134 -3.718 8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.284 -5.007 8.487 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.194 -3.558 8.866 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.075 -3.523 11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.313 -5.052 10.763 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.533 -6.139 10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.333 -4.610 10.859 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.491 -5.998 12.829 1.00 0.00 H new ATOM 0 HE3 LYS A 42 13.473 -4.618 13.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 12.540 -6.644 14.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 11.523 -6.005 12.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 12.509 -7.342 12.512 1.00 0.00 H new ATOM 650 N MET A 43 11.677 -0.851 8.950 1.00 0.00 N ATOM 651 CA MET A 43 11.435 0.586 9.305 1.00 0.00 C ATOM 652 C MET A 43 10.066 1.247 8.850 1.00 0.00 C ATOM 653 O MET A 43 9.316 1.945 9.562 1.00 0.00 O ATOM 654 CB MET A 43 12.655 1.521 9.133 1.00 0.00 C ATOM 655 CG MET A 43 12.924 1.915 7.652 1.00 0.00 C ATOM 656 SD MET A 43 14.415 2.844 7.535 1.00 0.00 S ATOM 657 CE MET A 43 13.876 4.263 6.606 1.00 0.00 C ATOM 0 H MET A 43 12.497 -0.993 8.360 1.00 0.00 H new ATOM 0 HA MET A 43 11.287 0.479 10.380 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.496 2.426 9.719 1.00 0.00 H new ATOM 0 HB3 MET A 43 13.540 1.030 9.538 1.00 0.00 H new ATOM 0 HG2 MET A 43 12.996 1.018 7.036 1.00 0.00 H new ATOM 0 HG3 MET A 43 12.090 2.501 7.266 1.00 0.00 H new ATOM 0 HE1 MET A 43 14.717 4.940 6.455 1.00 0.00 H new ATOM 0 HE2 MET A 43 13.492 3.940 5.638 1.00 0.00 H new ATOM 0 HE3 MET A 43 13.088 4.779 7.155 1.00 0.00 H new ATOM 667 N ILE A 44 9.756 1.025 7.538 1.00 0.00 N ATOM 668 CA ILE A 44 8.475 1.489 6.988 1.00 0.00 C ATOM 669 C ILE A 44 7.124 1.031 7.693 1.00 0.00 C ATOM 670 O ILE A 44 6.192 1.800 7.715 1.00 0.00 O ATOM 671 CB ILE A 44 8.389 1.400 5.420 1.00 0.00 C ATOM 672 CG1 ILE A 44 8.045 2.784 4.852 1.00 0.00 C ATOM 673 CG2 ILE A 44 7.537 0.243 4.839 1.00 0.00 C ATOM 674 CD1 ILE A 44 9.152 3.904 5.109 1.00 0.00 C ATOM 0 H ILE A 44 10.362 0.543 6.873 1.00 0.00 H new ATOM 0 HA ILE A 44 8.526 2.540 7.274 1.00 0.00 H new ATOM 0 HB ILE A 44 9.380 1.108 5.073 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.884 2.691 3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 44 7.103 3.117 5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.556 0.289 3.750 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.946 -0.712 5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.509 0.337 5.188 1.00 0.00 H new ATOM 0 HD11 ILE A 44 8.823 4.847 4.673 1.00 0.00 H new ATOM 0 HD12 ILE A 44 9.298 4.031 6.182 1.00 0.00 H new ATOM 0 HD13 ILE A 44 10.092 3.599 4.648 1.00 0.00 H new ATOM 686 N ALA A 45 7.007 -0.168 8.239 1.00 0.00 N ATOM 687 CA ALA A 45 5.872 -0.624 9.046 1.00 0.00 C ATOM 688 C ALA A 45 5.438 0.383 10.189 1.00 0.00 C ATOM 689 O ALA A 45 4.296 0.891 10.046 1.00 0.00 O ATOM 690 CB ALA A 45 6.135 -2.083 9.441 1.00 0.00 C ATOM 0 H ALA A 45 7.726 -0.884 8.132 1.00 0.00 H new ATOM 0 HA ALA A 45 4.953 -0.618 8.460 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.305 -2.452 10.044 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.229 -2.692 8.542 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.058 -2.143 10.018 1.00 0.00 H new ATOM 696 N PRO A 46 6.251 0.768 11.207 1.00 0.00 N ATOM 697 CA PRO A 46 6.045 1.946 12.099 1.00 0.00 C ATOM 698 C PRO A 46 5.833 3.347 11.458 1.00 0.00 C ATOM 699 O PRO A 46 4.856 3.995 11.771 1.00 0.00 O ATOM 700 CB PRO A 46 7.072 1.857 13.237 1.00 0.00 C ATOM 701 CG PRO A 46 7.500 0.400 13.172 1.00 0.00 C ATOM 702 CD PRO A 46 7.440 0.063 11.659 1.00 0.00 C ATOM 0 HA PRO A 46 5.036 1.866 12.504 1.00 0.00 H new ATOM 0 HB2 PRO A 46 7.911 2.535 13.082 1.00 0.00 H new ATOM 0 HB3 PRO A 46 6.633 2.109 14.202 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.504 0.260 13.573 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.833 -0.239 13.751 1.00 0.00 H new ATOM 0 HD2 PRO A 46 8.333 0.403 11.135 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.360 -1.011 11.489 1.00 0.00 H new ATOM 710 N ILE A 47 6.608 3.746 10.407 1.00 0.00 N ATOM 711 CA ILE A 47 6.178 4.919 9.502 1.00 0.00 C ATOM 712 C ILE A 47 4.751 4.983 8.879 1.00 0.00 C ATOM 713 O ILE A 47 3.892 5.820 9.232 1.00 0.00 O ATOM 714 CB ILE A 47 7.383 5.341 8.550 1.00 0.00 C ATOM 715 CG1 ILE A 47 8.798 5.559 9.248 1.00 0.00 C ATOM 716 CG2 ILE A 47 7.055 6.468 7.532 1.00 0.00 C ATOM 717 CD1 ILE A 47 8.804 6.623 10.413 1.00 0.00 C ATOM 0 H ILE A 47 7.496 3.314 10.152 1.00 0.00 H new ATOM 0 HA ILE A 47 5.969 5.712 10.220 1.00 0.00 H new ATOM 0 HB ILE A 47 7.504 4.428 7.968 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.142 4.604 9.645 1.00 0.00 H new ATOM 0 HG13 ILE A 47 9.518 5.867 8.490 1.00 0.00 H new ATOM 0 HG21 ILE A 47 7.938 6.684 6.931 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.243 6.145 6.881 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.754 7.367 8.069 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.809 6.703 10.827 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.494 7.592 10.022 1.00 0.00 H new ATOM 0 HD13 ILE A 47 8.113 6.310 11.196 1.00 0.00 H new ATOM 729 N PHE A 48 4.419 3.922 8.140 1.00 0.00 N ATOM 730 CA PHE A 48 3.050 3.607 7.586 1.00 0.00 C ATOM 731 C PHE A 48 1.913 3.565 8.680 1.00 0.00 C ATOM 732 O PHE A 48 0.774 3.825 8.294 1.00 0.00 O ATOM 733 CB PHE A 48 3.215 2.220 6.824 1.00 0.00 C ATOM 734 CG PHE A 48 2.233 1.792 5.690 1.00 0.00 C ATOM 735 CD1 PHE A 48 1.993 2.565 4.530 1.00 0.00 C ATOM 736 CD2 PHE A 48 1.655 0.495 5.755 1.00 0.00 C ATOM 737 CE1 PHE A 48 1.278 2.036 3.479 1.00 0.00 C ATOM 738 CE2 PHE A 48 0.916 0.007 4.683 1.00 0.00 C ATOM 739 CZ PHE A 48 0.733 0.766 3.528 1.00 0.00 C ATOM 0 H PHE A 48 5.108 3.214 7.886 1.00 0.00 H new ATOM 0 HA PHE A 48 2.716 4.401 6.917 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.217 2.211 6.395 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.185 1.437 7.581 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.372 3.574 4.468 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.790 -0.112 6.638 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.138 2.631 2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.476 -0.977 4.746 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.178 0.371 2.690 1.00 0.00 H new ATOM 749 N ALA A 49 2.196 3.229 9.963 1.00 0.00 N ATOM 750 CA ALA A 49 1.327 3.485 11.130 1.00 0.00 C ATOM 751 C ALA A 49 1.123 4.936 11.667 1.00 0.00 C ATOM 752 O ALA A 49 -0.055 5.403 11.859 1.00 0.00 O ATOM 753 CB ALA A 49 1.705 2.553 12.300 1.00 0.00 C ATOM 0 H ALA A 49 3.064 2.758 10.218 1.00 0.00 H new ATOM 0 HA ALA A 49 0.350 3.273 10.695 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.055 2.755 13.151 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.586 1.515 11.991 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.742 2.730 12.586 1.00 0.00 H new ATOM 759 N GLU A 50 2.204 5.747 11.811 1.00 0.00 N ATOM 760 CA GLU A 50 2.166 7.246 12.036 1.00 0.00 C ATOM 761 C GLU A 50 1.429 7.993 10.884 1.00 0.00 C ATOM 762 O GLU A 50 0.508 8.794 11.157 1.00 0.00 O ATOM 763 CB GLU A 50 3.600 7.821 12.383 1.00 0.00 C ATOM 764 CG GLU A 50 3.635 9.332 12.850 1.00 0.00 C ATOM 765 CD GLU A 50 5.040 9.894 12.547 1.00 0.00 C ATOM 766 OE1 GLU A 50 6.056 9.698 13.177 1.00 0.00 O ATOM 767 OE2 GLU A 50 5.005 10.559 11.299 1.00 0.00 O ATOM 0 H GLU A 50 3.156 5.384 11.776 1.00 0.00 H new ATOM 0 HA GLU A 50 1.560 7.439 12.921 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.038 7.206 13.169 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.236 7.716 11.504 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.873 9.910 12.327 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.417 9.406 13.915 1.00 0.00 H new ATOM 775 N LEU A 51 1.815 7.758 9.675 1.00 0.00 N ATOM 776 CA LEU A 51 1.064 8.197 8.451 1.00 0.00 C ATOM 777 C LEU A 51 -0.459 7.848 8.457 1.00 0.00 C ATOM 778 O LEU A 51 -1.331 8.682 8.240 1.00 0.00 O ATOM 779 CB LEU A 51 1.856 7.528 7.267 1.00 0.00 C ATOM 780 CG LEU A 51 1.368 7.869 5.843 1.00 0.00 C ATOM 781 CD1 LEU A 51 0.435 6.852 5.211 1.00 0.00 C ATOM 782 CD2 LEU A 51 0.774 9.290 5.683 1.00 0.00 C ATOM 0 H LEU A 51 2.672 7.249 9.460 1.00 0.00 H new ATOM 0 HA LEU A 51 1.031 9.284 8.374 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.904 7.817 7.349 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.813 6.446 7.394 1.00 0.00 H new ATOM 0 HG LEU A 51 2.306 7.832 5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.153 7.188 4.213 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.941 5.889 5.140 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.459 6.748 5.825 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.459 9.438 4.650 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.085 9.402 6.344 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.530 10.032 5.942 1.00 0.00 H new ATOM 794 N ALA A 52 -0.781 6.594 8.811 1.00 0.00 N ATOM 795 CA ALA A 52 -2.176 6.140 9.005 1.00 0.00 C ATOM 796 C ALA A 52 -3.088 6.887 10.002 1.00 0.00 C ATOM 797 O ALA A 52 -4.272 7.177 9.737 1.00 0.00 O ATOM 798 CB ALA A 52 -2.274 4.632 9.262 1.00 0.00 C ATOM 0 H ALA A 52 -0.087 5.864 8.972 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.586 6.415 8.033 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.319 4.353 9.397 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.861 4.090 8.411 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.712 4.379 10.161 1.00 0.00 H new ATOM 804 N LYS A 53 -2.528 7.177 11.189 1.00 0.00 N ATOM 805 CA LYS A 53 -3.082 8.112 12.192 1.00 0.00 C ATOM 806 C LYS A 53 -3.327 9.572 11.690 1.00 0.00 C ATOM 807 O LYS A 53 -4.387 10.167 11.975 1.00 0.00 O ATOM 808 CB LYS A 53 -2.231 8.051 13.497 1.00 0.00 C ATOM 809 CG LYS A 53 -2.256 6.722 14.295 1.00 0.00 C ATOM 810 CD LYS A 53 -0.937 6.461 15.114 1.00 0.00 C ATOM 811 CE LYS A 53 -1.031 5.060 15.678 1.00 0.00 C ATOM 812 NZ LYS A 53 0.098 4.739 16.535 1.00 0.00 N ATOM 0 H LYS A 53 -1.649 6.755 11.489 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.093 7.764 12.407 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.195 8.269 13.236 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.568 8.849 14.158 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.104 6.734 14.980 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.416 5.894 13.604 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.060 6.560 14.474 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.831 7.192 15.915 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.956 4.959 16.245 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.079 4.342 14.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.007 3.771 16.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.980 4.809 15.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.130 5.407 17.331 1.00 0.00 H new ATOM 825 N LYS A 54 -2.366 10.131 10.917 1.00 0.00 N ATOM 826 CA LYS A 54 -2.490 11.366 10.143 1.00 0.00 C ATOM 827 C LYS A 54 -3.765 11.538 9.142 1.00 0.00 C ATOM 828 O LYS A 54 -4.305 12.655 9.025 1.00 0.00 O ATOM 829 CB LYS A 54 -1.024 11.730 9.545 1.00 0.00 C ATOM 830 CG LYS A 54 -0.901 13.210 9.212 1.00 0.00 C ATOM 831 CD LYS A 54 0.417 13.709 8.542 1.00 0.00 C ATOM 832 CE LYS A 54 1.635 13.668 9.483 1.00 0.00 C ATOM 833 NZ LYS A 54 2.866 14.038 8.783 1.00 0.00 N ATOM 0 H LYS A 54 -1.444 9.705 10.819 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.802 12.150 10.833 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.257 11.456 10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.840 11.139 8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.729 13.473 8.554 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.038 13.772 10.136 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.624 13.096 7.665 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.273 14.731 8.191 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.473 14.347 10.320 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.740 12.667 9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.667 14.000 9.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 3.033 13.374 8.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 2.774 15.003 8.406 1.00 0.00 H new ATOM 846 N PHE A 55 -4.112 10.430 8.485 1.00 0.00 N ATOM 847 CA PHE A 55 -4.864 10.371 7.200 1.00 0.00 C ATOM 848 C PHE A 55 -6.021 9.229 7.338 1.00 0.00 C ATOM 849 O PHE A 55 -5.764 8.037 7.185 1.00 0.00 O ATOM 850 CB PHE A 55 -3.683 10.161 6.142 1.00 0.00 C ATOM 851 CG PHE A 55 -3.232 11.454 5.452 1.00 0.00 C ATOM 852 CD1 PHE A 55 -4.064 12.189 4.605 1.00 0.00 C ATOM 853 CD2 PHE A 55 -2.002 12.009 5.837 1.00 0.00 C ATOM 854 CE1 PHE A 55 -3.608 13.452 4.117 1.00 0.00 C ATOM 855 CE2 PHE A 55 -1.609 13.247 5.386 1.00 0.00 C ATOM 856 CZ PHE A 55 -2.402 14.014 4.532 1.00 0.00 C ATOM 0 H PHE A 55 -3.874 9.503 8.836 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.448 11.237 6.888 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -2.828 9.714 6.650 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.010 9.450 5.383 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.035 11.809 4.324 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.353 11.454 6.499 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.217 13.988 3.404 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -0.654 13.639 5.704 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.096 14.997 4.208 1.00 0.00 H new ATOM 866 N PRO A 56 -7.280 9.633 7.518 1.00 0.00 N ATOM 867 CA PRO A 56 -8.575 8.831 7.423 1.00 0.00 C ATOM 868 C PRO A 56 -9.270 8.249 6.142 1.00 0.00 C ATOM 869 O PRO A 56 -10.051 7.299 6.227 1.00 0.00 O ATOM 870 CB PRO A 56 -9.593 9.635 8.249 1.00 0.00 C ATOM 871 CG PRO A 56 -9.236 11.103 8.004 1.00 0.00 C ATOM 872 CD PRO A 56 -7.684 11.047 7.890 1.00 0.00 C ATOM 0 HA PRO A 56 -8.205 7.854 7.736 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.614 9.420 7.934 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.527 9.385 9.308 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.698 11.488 7.095 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.562 11.744 8.823 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.334 11.752 7.136 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.224 11.336 8.835 1.00 0.00 H new ATOM 880 N ASN A 57 -9.233 9.008 5.108 1.00 0.00 N ATOM 881 CA ASN A 57 -9.826 8.736 3.781 1.00 0.00 C ATOM 882 C ASN A 57 -9.290 7.354 3.075 1.00 0.00 C ATOM 883 O ASN A 57 -9.665 7.037 1.941 1.00 0.00 O ATOM 884 CB ASN A 57 -9.679 10.014 2.841 1.00 0.00 C ATOM 885 CG ASN A 57 -8.274 10.520 2.556 1.00 0.00 C ATOM 886 OD1 ASN A 57 -7.473 9.928 1.842 1.00 0.00 O ATOM 887 ND2 ASN A 57 -7.957 11.714 3.005 1.00 0.00 N ATOM 0 H ASN A 57 -8.760 9.911 5.134 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.888 8.549 3.940 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.154 9.786 1.887 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.245 10.829 3.292 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.059 12.130 2.758 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -8.609 12.224 3.601 1.00 0.00 H new ATOM 894 N VAL A 58 -8.307 6.681 3.756 1.00 0.00 N ATOM 895 CA VAL A 58 -7.361 5.861 3.047 1.00 0.00 C ATOM 896 C VAL A 58 -7.022 4.611 3.962 1.00 0.00 C ATOM 897 O VAL A 58 -6.310 4.631 4.999 1.00 0.00 O ATOM 898 CB VAL A 58 -6.180 6.846 2.581 1.00 0.00 C ATOM 899 CG1 VAL A 58 -5.556 7.703 3.649 1.00 0.00 C ATOM 900 CG2 VAL A 58 -5.100 6.017 1.977 1.00 0.00 C ATOM 0 H VAL A 58 -8.179 6.710 4.768 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.706 5.394 2.124 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.651 7.544 1.889 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.774 8.321 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.318 8.343 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.123 7.066 4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.284 6.663 1.652 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.728 5.308 2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -5.496 5.472 1.120 1.00 0.00 H new ATOM 910 N THR A 59 -7.490 3.440 3.515 1.00 0.00 N ATOM 911 CA THR A 59 -7.013 2.113 4.011 1.00 0.00 C ATOM 912 C THR A 59 -5.475 1.815 3.658 1.00 0.00 C ATOM 913 O THR A 59 -4.911 2.329 2.691 1.00 0.00 O ATOM 914 CB THR A 59 -7.949 1.053 3.259 1.00 0.00 C ATOM 915 OG1 THR A 59 -9.303 1.354 3.407 1.00 0.00 O ATOM 916 CG2 THR A 59 -7.722 -0.399 3.652 1.00 0.00 C ATOM 0 H THR A 59 -8.212 3.369 2.798 1.00 0.00 H new ATOM 0 HA THR A 59 -7.071 2.070 5.099 1.00 0.00 H new ATOM 0 HB THR A 59 -7.652 1.149 2.215 1.00 0.00 H new ATOM 0 HG1 THR A 59 -9.840 0.686 2.933 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.402 -1.039 3.090 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.692 -0.679 3.429 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.909 -0.521 4.719 1.00 0.00 H new ATOM 924 N PHE A 60 -4.798 0.950 4.344 1.00 0.00 N ATOM 925 CA PHE A 60 -3.319 0.737 4.320 1.00 0.00 C ATOM 926 C PHE A 60 -3.014 -0.767 4.620 1.00 0.00 C ATOM 927 O PHE A 60 -3.296 -1.281 5.669 1.00 0.00 O ATOM 928 CB PHE A 60 -2.560 1.706 5.321 1.00 0.00 C ATOM 929 CG PHE A 60 -2.598 3.186 5.020 1.00 0.00 C ATOM 930 CD1 PHE A 60 -1.886 3.660 3.940 1.00 0.00 C ATOM 931 CD2 PHE A 60 -3.263 4.075 5.913 1.00 0.00 C ATOM 932 CE1 PHE A 60 -1.891 5.041 3.654 1.00 0.00 C ATOM 933 CE2 PHE A 60 -3.262 5.470 5.653 1.00 0.00 C ATOM 934 CZ PHE A 60 -2.652 5.892 4.470 1.00 0.00 C ATOM 0 H PHE A 60 -5.261 0.312 4.991 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.945 0.984 3.327 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.976 1.554 6.317 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -1.515 1.397 5.361 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -1.327 2.978 3.316 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -3.767 3.688 6.786 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -1.322 5.435 2.825 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -3.712 6.173 6.338 1.00 0.00 H new ATOM 0 HZ PHE A 60 -2.772 6.922 4.169 1.00 0.00 H new ATOM 944 N LEU A 61 -2.468 -1.455 3.628 1.00 0.00 N ATOM 945 CA LEU A 61 -2.340 -2.942 3.551 1.00 0.00 C ATOM 946 C LEU A 61 -1.001 -3.345 2.868 1.00 0.00 C ATOM 947 O LEU A 61 -0.349 -2.575 2.171 1.00 0.00 O ATOM 948 CB LEU A 61 -3.597 -3.616 2.988 1.00 0.00 C ATOM 949 CG LEU A 61 -3.776 -3.692 1.420 1.00 0.00 C ATOM 950 CD1 LEU A 61 -3.298 -4.999 0.746 1.00 0.00 C ATOM 951 CD2 LEU A 61 -5.245 -3.428 1.025 1.00 0.00 C ATOM 0 H LEU A 61 -2.078 -0.991 2.807 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.280 -3.340 4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.628 -4.635 3.375 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.463 -3.094 3.395 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.116 -2.910 1.045 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.470 -4.938 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.234 -5.138 0.936 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.853 -5.843 1.155 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.346 -3.485 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.887 -4.177 1.489 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.541 -2.436 1.365 1.00 0.00 H new ATOM 963 N LYS A 62 -0.499 -4.579 3.171 1.00 0.00 N ATOM 964 CA LYS A 62 0.892 -4.955 2.873 1.00 0.00 C ATOM 965 C LYS A 62 0.963 -6.489 2.645 1.00 0.00 C ATOM 966 O LYS A 62 0.711 -7.382 3.499 1.00 0.00 O ATOM 967 CB LYS A 62 1.928 -4.441 3.950 1.00 0.00 C ATOM 968 CG LYS A 62 1.742 -4.813 5.481 1.00 0.00 C ATOM 969 CD LYS A 62 2.976 -4.515 6.369 1.00 0.00 C ATOM 970 CE LYS A 62 3.096 -5.464 7.610 1.00 0.00 C ATOM 971 NZ LYS A 62 2.143 -4.992 8.684 1.00 0.00 N ATOM 0 H LYS A 62 -1.044 -5.316 3.618 1.00 0.00 H new ATOM 0 HA LYS A 62 1.195 -4.449 1.957 1.00 0.00 H new ATOM 0 HB2 LYS A 62 2.912 -4.800 3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.951 -3.353 3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.886 -4.264 5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.503 -5.874 5.558 1.00 0.00 H new ATOM 0 HD2 LYS A 62 3.879 -4.604 5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.924 -3.483 6.715 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.863 -6.490 7.324 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.119 -5.463 7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.216 -5.617 9.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.387 -4.020 8.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.170 -5.014 8.319 1.00 0.00 H new ATOM 984 N VAL A 63 1.439 -6.765 1.465 1.00 0.00 N ATOM 985 CA VAL A 63 1.604 -8.048 0.823 1.00 0.00 C ATOM 986 C VAL A 63 3.157 -8.583 1.111 1.00 0.00 C ATOM 987 O VAL A 63 4.151 -8.036 0.655 1.00 0.00 O ATOM 988 CB VAL A 63 1.310 -7.843 -0.656 1.00 0.00 C ATOM 989 CG1 VAL A 63 1.580 -9.057 -1.575 1.00 0.00 C ATOM 990 CG2 VAL A 63 -0.144 -7.390 -0.896 1.00 0.00 C ATOM 0 H VAL A 63 1.759 -6.012 0.856 1.00 0.00 H new ATOM 0 HA VAL A 63 0.927 -8.810 1.208 1.00 0.00 H new ATOM 0 HB VAL A 63 2.024 -7.066 -0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.335 -8.796 -2.604 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.632 -9.335 -1.511 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.963 -9.898 -1.258 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -0.311 -7.255 -1.965 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -0.829 -8.147 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -0.321 -6.447 -0.379 1.00 0.00 H new ATOM 1000 N ASP A 64 3.181 -9.854 1.543 1.00 0.00 N ATOM 1001 CA ASP A 64 4.365 -10.788 1.439 1.00 0.00 C ATOM 1002 C ASP A 64 4.523 -11.297 -0.029 1.00 0.00 C ATOM 1003 O ASP A 64 3.831 -12.246 -0.448 1.00 0.00 O ATOM 1004 CB ASP A 64 4.277 -11.897 2.529 1.00 0.00 C ATOM 1005 CG ASP A 64 5.601 -12.601 2.903 1.00 0.00 C ATOM 1006 OD1 ASP A 64 6.281 -13.345 2.142 1.00 0.00 O ATOM 1007 OD2 ASP A 64 6.081 -12.170 4.128 1.00 0.00 O ATOM 0 H ASP A 64 2.373 -10.291 1.986 1.00 0.00 H new ATOM 0 HA ASP A 64 5.294 -10.260 1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.858 -11.455 3.433 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.572 -12.655 2.189 1.00 0.00 H new ATOM 1013 N VAL A 65 5.457 -10.693 -0.752 1.00 0.00 N ATOM 1014 CA VAL A 65 5.961 -11.016 -2.136 1.00 0.00 C ATOM 1015 C VAL A 65 6.262 -12.447 -2.468 1.00 0.00 C ATOM 1016 O VAL A 65 5.905 -12.860 -3.571 1.00 0.00 O ATOM 1017 CB VAL A 65 7.072 -9.959 -2.537 1.00 0.00 C ATOM 1018 CG1 VAL A 65 8.427 -10.308 -1.924 1.00 0.00 C ATOM 1019 CG2 VAL A 65 7.117 -9.660 -4.044 1.00 0.00 C ATOM 0 H VAL A 65 5.946 -9.882 -0.373 1.00 0.00 H new ATOM 0 HA VAL A 65 5.107 -10.906 -2.804 1.00 0.00 H new ATOM 0 HB VAL A 65 6.779 -9.007 -2.094 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.164 -9.561 -2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.342 -10.322 -0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 65 8.744 -11.290 -2.276 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.900 -8.929 -4.247 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.328 -10.579 -4.591 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.155 -9.260 -4.364 1.00 0.00 H new ATOM 1029 N ASP A 66 6.933 -13.263 -1.558 1.00 0.00 N ATOM 1030 CA ASP A 66 7.086 -14.782 -1.696 1.00 0.00 C ATOM 1031 C ASP A 66 5.700 -15.491 -1.896 1.00 0.00 C ATOM 1032 O ASP A 66 5.478 -16.142 -2.894 1.00 0.00 O ATOM 1033 CB ASP A 66 8.155 -15.355 -0.759 1.00 0.00 C ATOM 1034 CG ASP A 66 9.540 -14.773 -0.909 1.00 0.00 C ATOM 1035 OD1 ASP A 66 9.940 -13.735 -0.267 1.00 0.00 O ATOM 1036 OD2 ASP A 66 10.240 -15.427 -1.877 1.00 0.00 O ATOM 0 H ASP A 66 7.378 -12.893 -0.718 1.00 0.00 H new ATOM 0 HA ASP A 66 7.556 -15.054 -2.641 1.00 0.00 H new ATOM 0 HB2 ASP A 66 7.828 -15.205 0.270 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.214 -16.431 -0.921 1.00 0.00 H new ATOM 1042 N GLU A 67 4.797 -15.211 -0.956 1.00 0.00 N ATOM 1043 CA GLU A 67 3.387 -15.606 -1.079 1.00 0.00 C ATOM 1044 C GLU A 67 2.600 -15.203 -2.419 1.00 0.00 C ATOM 1045 O GLU A 67 1.643 -15.812 -2.873 1.00 0.00 O ATOM 1046 CB GLU A 67 2.544 -15.428 0.166 1.00 0.00 C ATOM 1047 CG GLU A 67 3.018 -16.259 1.381 1.00 0.00 C ATOM 1048 CD GLU A 67 2.112 -15.877 2.559 1.00 0.00 C ATOM 1049 OE1 GLU A 67 2.309 -14.938 3.396 1.00 0.00 O ATOM 1050 OE2 GLU A 67 1.155 -16.850 2.671 1.00 0.00 O ATOM 0 H GLU A 67 5.015 -14.709 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 67 3.534 -16.679 -1.199 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.542 -14.373 0.441 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.514 -15.699 -0.065 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.949 -17.326 1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.062 -16.046 1.611 1.00 0.00 H new ATOM 1058 N LEU A 68 2.955 -14.041 -3.066 1.00 0.00 N ATOM 1059 CA LEU A 68 2.189 -13.468 -4.162 1.00 0.00 C ATOM 1060 C LEU A 68 3.208 -12.546 -5.028 1.00 0.00 C ATOM 1061 O LEU A 68 3.013 -11.363 -5.369 1.00 0.00 O ATOM 1062 CB LEU A 68 1.015 -12.625 -3.615 1.00 0.00 C ATOM 1063 CG LEU A 68 -0.191 -13.269 -2.889 1.00 0.00 C ATOM 1064 CD1 LEU A 68 -1.089 -12.148 -2.311 1.00 0.00 C ATOM 1065 CD2 LEU A 68 -1.023 -14.204 -3.764 1.00 0.00 C ATOM 0 H LEU A 68 3.783 -13.499 -2.821 1.00 0.00 H new ATOM 0 HA LEU A 68 1.760 -14.251 -4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.445 -11.898 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.611 -12.065 -4.458 1.00 0.00 H new ATOM 0 HG LEU A 68 0.219 -13.895 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -1.941 -12.593 -1.798 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -0.514 -11.548 -1.606 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.445 -11.513 -3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.847 -14.612 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.421 -13.649 -4.614 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.395 -15.019 -4.125 1.00 0.00 H new ATOM 1077 N LYS A 69 4.203 -13.253 -5.635 1.00 0.00 N ATOM 1078 CA LYS A 69 5.039 -12.748 -6.685 1.00 0.00 C ATOM 1079 C LYS A 69 4.405 -12.362 -8.031 1.00 0.00 C ATOM 1080 O LYS A 69 4.660 -11.320 -8.598 1.00 0.00 O ATOM 1081 CB LYS A 69 6.319 -13.663 -6.865 1.00 0.00 C ATOM 1082 CG LYS A 69 6.238 -14.972 -7.681 1.00 0.00 C ATOM 1083 CD LYS A 69 7.277 -16.113 -7.630 1.00 0.00 C ATOM 1084 CE LYS A 69 7.446 -16.720 -6.164 1.00 0.00 C ATOM 1085 NZ LYS A 69 8.041 -18.014 -6.121 1.00 0.00 N ATOM 0 H LYS A 69 4.426 -14.214 -5.377 1.00 0.00 H new ATOM 0 HA LYS A 69 5.311 -11.761 -6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 69 7.094 -13.047 -7.321 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.669 -13.927 -5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.281 -15.427 -7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.176 -14.670 -8.726 1.00 0.00 H new ATOM 0 HD2 LYS A 69 6.976 -16.905 -8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.240 -15.739 -7.978 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.052 -16.036 -5.570 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.465 -16.770 -5.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.112 -18.331 -5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 7.454 -18.684 -6.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.992 -17.973 -6.541 1.00 0.00 H new ATOM 1098 N ALA A 70 3.596 -13.244 -8.581 1.00 0.00 N ATOM 1099 CA ALA A 70 2.897 -13.093 -9.894 1.00 0.00 C ATOM 1100 C ALA A 70 2.060 -11.720 -10.198 1.00 0.00 C ATOM 1101 O ALA A 70 2.386 -10.871 -11.016 1.00 0.00 O ATOM 1102 CB ALA A 70 2.095 -14.330 -10.145 1.00 0.00 C ATOM 0 H ALA A 70 3.381 -14.132 -8.127 1.00 0.00 H new ATOM 0 HA ALA A 70 3.700 -12.970 -10.620 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.576 -14.240 -11.099 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.758 -15.194 -10.173 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.365 -14.459 -9.346 1.00 0.00 H new ATOM 1108 N VAL A 71 1.038 -11.552 -9.391 1.00 0.00 N ATOM 1109 CA VAL A 71 0.285 -10.305 -9.178 1.00 0.00 C ATOM 1110 C VAL A 71 1.098 -9.086 -8.654 1.00 0.00 C ATOM 1111 O VAL A 71 0.871 -7.954 -9.046 1.00 0.00 O ATOM 1112 CB VAL A 71 -0.918 -10.488 -8.242 1.00 0.00 C ATOM 1113 CG1 VAL A 71 -0.494 -10.639 -6.765 1.00 0.00 C ATOM 1114 CG2 VAL A 71 -1.891 -9.374 -8.438 1.00 0.00 C ATOM 0 H VAL A 71 0.676 -12.319 -8.825 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.032 -10.073 -10.195 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.412 -11.423 -8.504 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.380 -10.766 -6.143 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.151 -11.511 -6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 71 0.047 -9.747 -6.449 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.741 -9.512 -7.770 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.406 -8.424 -8.216 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -2.238 -9.372 -9.471 1.00 0.00 H new ATOM 1124 N ALA A 72 2.115 -9.251 -7.779 1.00 0.00 N ATOM 1125 CA ALA A 72 3.020 -8.082 -7.447 1.00 0.00 C ATOM 1126 C ALA A 72 3.691 -7.430 -8.688 1.00 0.00 C ATOM 1127 O ALA A 72 3.555 -6.259 -9.048 1.00 0.00 O ATOM 1128 CB ALA A 72 3.991 -8.467 -6.317 1.00 0.00 C ATOM 0 H ALA A 72 2.339 -10.125 -7.302 1.00 0.00 H new ATOM 0 HA ALA A 72 2.395 -7.274 -7.067 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.636 -7.619 -6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.424 -8.743 -5.428 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.602 -9.312 -6.634 1.00 0.00 H new ATOM 1134 N GLU A 73 4.314 -8.340 -9.483 1.00 0.00 N ATOM 1135 CA GLU A 73 4.893 -7.972 -10.807 1.00 0.00 C ATOM 1136 C GLU A 73 3.826 -7.210 -11.647 1.00 0.00 C ATOM 1137 O GLU A 73 4.264 -6.086 -11.961 1.00 0.00 O ATOM 1138 CB GLU A 73 5.476 -9.161 -11.551 1.00 0.00 C ATOM 1139 CG GLU A 73 6.720 -9.834 -11.021 1.00 0.00 C ATOM 1140 CD GLU A 73 7.074 -11.070 -11.809 1.00 0.00 C ATOM 1141 OE1 GLU A 73 6.285 -12.099 -11.805 1.00 0.00 O ATOM 1142 OE2 GLU A 73 8.203 -10.940 -12.589 1.00 0.00 O ATOM 0 H GLU A 73 4.428 -9.323 -9.236 1.00 0.00 H new ATOM 0 HA GLU A 73 5.740 -7.308 -10.633 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.696 -9.920 -11.615 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.689 -8.836 -12.569 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.553 -9.132 -11.054 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.570 -10.102 -9.975 1.00 0.00 H new ATOM 1150 N GLU A 74 2.540 -7.689 -11.837 1.00 0.00 N ATOM 1151 CA GLU A 74 1.460 -6.990 -12.583 1.00 0.00 C ATOM 1152 C GLU A 74 1.230 -5.438 -12.191 1.00 0.00 C ATOM 1153 O GLU A 74 1.257 -4.563 -13.046 1.00 0.00 O ATOM 1154 CB GLU A 74 0.135 -7.844 -12.864 1.00 0.00 C ATOM 1155 CG GLU A 74 -0.993 -7.864 -11.807 1.00 0.00 C ATOM 1156 CD GLU A 74 -2.201 -7.132 -12.215 1.00 0.00 C ATOM 1157 OE1 GLU A 74 -2.556 -5.959 -11.953 1.00 0.00 O ATOM 1158 OE2 GLU A 74 -3.031 -8.029 -12.890 1.00 0.00 O ATOM 0 H GLU A 74 2.238 -8.588 -11.462 1.00 0.00 H new ATOM 0 HA GLU A 74 1.888 -6.913 -13.582 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.297 -7.481 -13.796 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.441 -8.876 -13.035 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.261 -8.899 -11.595 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.616 -7.435 -10.878 1.00 0.00 H new ATOM 1166 N TRP A 75 0.954 -5.175 -10.834 1.00 0.00 N ATOM 1167 CA TRP A 75 0.782 -3.791 -10.271 1.00 0.00 C ATOM 1168 C TRP A 75 2.081 -2.899 -10.487 1.00 0.00 C ATOM 1169 O TRP A 75 1.910 -1.821 -11.008 1.00 0.00 O ATOM 1170 CB TRP A 75 0.608 -3.953 -8.774 1.00 0.00 C ATOM 1171 CG TRP A 75 -0.640 -4.660 -8.173 1.00 0.00 C ATOM 1172 CD1 TRP A 75 -0.495 -5.682 -7.204 1.00 0.00 C ATOM 1173 CD2 TRP A 75 -1.912 -4.709 -8.491 1.00 0.00 C ATOM 1174 NE1 TRP A 75 -1.743 -6.224 -6.815 1.00 0.00 N ATOM 1175 CE2 TRP A 75 -2.567 -5.700 -7.740 1.00 0.00 C ATOM 1176 CE3 TRP A 75 -2.689 -3.922 -9.428 1.00 0.00 C ATOM 1177 CZ2 TRP A 75 -3.876 -6.017 -8.011 1.00 0.00 C ATOM 1178 CZ3 TRP A 75 -4.034 -4.189 -9.627 1.00 0.00 C ATOM 1179 CH2 TRP A 75 -4.555 -5.321 -8.943 1.00 0.00 C ATOM 0 H TRP A 75 0.852 -5.912 -10.137 1.00 0.00 H new ATOM 0 HA TRP A 75 -0.062 -3.309 -10.765 1.00 0.00 H new ATOM 0 HB2 TRP A 75 1.483 -4.491 -8.410 1.00 0.00 H new ATOM 0 HB3 TRP A 75 0.645 -2.954 -8.341 1.00 0.00 H new ATOM 0 HD1 TRP A 75 0.455 -6.009 -6.809 1.00 0.00 H new ATOM 0 HE1 TRP A 75 -1.960 -6.848 -6.038 1.00 0.00 H new ATOM 0 HE3 TRP A 75 -2.216 -3.121 -9.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 -4.359 -6.822 -7.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 -4.651 -3.573 -10.265 1.00 0.00 H new ATOM 0 HH2 TRP A 75 -5.557 -5.643 -9.186 1.00 0.00 H new ATOM 1190 N ASN A 76 3.267 -3.416 -10.262 1.00 0.00 N ATOM 1191 CA ASN A 76 4.564 -3.101 -10.927 1.00 0.00 C ATOM 1192 C ASN A 76 5.678 -3.280 -9.889 1.00 0.00 C ATOM 1193 O ASN A 76 5.948 -2.251 -9.268 1.00 0.00 O ATOM 1194 CB ASN A 76 4.813 -1.796 -11.805 1.00 0.00 C ATOM 1195 CG ASN A 76 6.163 -1.566 -12.459 1.00 0.00 C ATOM 1196 OD1 ASN A 76 7.031 -0.842 -11.878 1.00 0.00 O ATOM 1197 ND2 ASN A 76 6.641 -2.257 -13.437 1.00 0.00 N ATOM 0 H ASN A 76 3.387 -4.135 -9.549 1.00 0.00 H new ATOM 0 HA ASN A 76 4.545 -3.812 -11.753 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.064 -1.791 -12.597 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.610 -0.934 -11.169 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.630 -2.187 -13.675 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.030 -2.873 -13.973 1.00 0.00 H new ATOM 1204 N VAL A 77 6.226 -4.508 -9.709 1.00 0.00 N ATOM 1205 CA VAL A 77 7.165 -4.944 -8.613 1.00 0.00 C ATOM 1206 C VAL A 77 8.019 -5.952 -9.437 1.00 0.00 C ATOM 1207 O VAL A 77 8.075 -7.159 -9.192 1.00 0.00 O ATOM 1208 CB VAL A 77 6.503 -5.454 -7.347 1.00 0.00 C ATOM 1209 CG1 VAL A 77 7.416 -5.711 -6.110 1.00 0.00 C ATOM 1210 CG2 VAL A 77 5.346 -4.482 -6.850 1.00 0.00 C ATOM 0 H VAL A 77 6.021 -5.272 -10.353 1.00 0.00 H new ATOM 0 HA VAL A 77 7.745 -4.155 -8.134 1.00 0.00 H new ATOM 0 HB VAL A 77 6.137 -6.424 -7.684 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.810 -6.072 -5.279 1.00 0.00 H new ATOM 0 HG12 VAL A 77 8.168 -6.458 -6.362 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.909 -4.782 -5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.898 -4.884 -5.941 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.763 -3.496 -6.644 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.583 -4.399 -7.624 1.00 0.00 H new ATOM 1220 N GLU A 78 9.025 -5.369 -10.058 1.00 0.00 N ATOM 1221 CA GLU A 78 10.305 -5.880 -10.380 1.00 0.00 C ATOM 1222 C GLU A 78 11.398 -5.778 -9.271 1.00 0.00 C ATOM 1223 O GLU A 78 12.501 -6.396 -9.365 1.00 0.00 O ATOM 1224 CB GLU A 78 10.740 -5.444 -11.767 1.00 0.00 C ATOM 1225 CG GLU A 78 10.769 -3.933 -11.872 1.00 0.00 C ATOM 1226 CD GLU A 78 12.175 -3.438 -11.609 1.00 0.00 C ATOM 1227 OE1 GLU A 78 12.443 -3.053 -10.478 1.00 0.00 O ATOM 1228 OE2 GLU A 78 13.042 -3.541 -12.728 1.00 0.00 O ATOM 0 H GLU A 78 8.932 -4.406 -10.381 1.00 0.00 H new ATOM 0 HA GLU A 78 10.180 -6.962 -10.417 1.00 0.00 H new ATOM 0 HB2 GLU A 78 11.729 -5.847 -11.986 1.00 0.00 H new ATOM 0 HB3 GLU A 78 10.057 -5.852 -12.512 1.00 0.00 H new ATOM 0 HG2 GLU A 78 10.441 -3.620 -12.863 1.00 0.00 H new ATOM 0 HG3 GLU A 78 10.077 -3.494 -11.154 1.00 0.00 H new ATOM 1236 N ALA A 79 11.135 -5.042 -8.142 1.00 0.00 N ATOM 1237 CA ALA A 79 12.117 -4.639 -7.031 1.00 0.00 C ATOM 1238 C ALA A 79 11.379 -4.428 -5.625 1.00 0.00 C ATOM 1239 O ALA A 79 10.355 -3.849 -5.465 1.00 0.00 O ATOM 1240 CB ALA A 79 13.164 -3.520 -7.376 1.00 0.00 C ATOM 0 H ALA A 79 10.196 -4.689 -7.956 1.00 0.00 H new ATOM 0 HA ALA A 79 12.765 -5.510 -6.934 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.795 -3.331 -6.507 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.784 -3.847 -8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 79 12.641 -2.604 -7.650 1.00 0.00 H new ATOM 1246 N MET A 80 12.095 -4.822 -4.620 1.00 0.00 N ATOM 1247 CA MET A 80 11.959 -4.281 -3.273 1.00 0.00 C ATOM 1248 C MET A 80 12.417 -2.703 -3.039 1.00 0.00 C ATOM 1249 O MET A 80 13.611 -2.444 -3.215 1.00 0.00 O ATOM 1250 CB MET A 80 12.854 -5.252 -2.446 1.00 0.00 C ATOM 1251 CG MET A 80 12.157 -6.539 -2.067 1.00 0.00 C ATOM 1252 SD MET A 80 10.576 -6.422 -1.322 1.00 0.00 S ATOM 1253 CE MET A 80 9.414 -6.321 -2.607 1.00 0.00 C ATOM 0 H MET A 80 12.811 -5.544 -4.698 1.00 0.00 H new ATOM 0 HA MET A 80 10.907 -4.233 -2.992 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.749 -5.489 -3.022 1.00 0.00 H new ATOM 0 HB3 MET A 80 13.184 -4.746 -1.539 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.059 -7.145 -2.968 1.00 0.00 H new ATOM 0 HG3 MET A 80 12.809 -7.085 -1.385 1.00 0.00 H new ATOM 0 HE1 MET A 80 8.586 -7.000 -2.403 1.00 0.00 H new ATOM 0 HE2 MET A 80 9.038 -5.300 -2.678 1.00 0.00 H new ATOM 0 HE3 MET A 80 9.887 -6.600 -3.548 1.00 0.00 H new ATOM 1263 N PRO A 81 11.656 -1.737 -2.451 1.00 0.00 N ATOM 1264 CA PRO A 81 10.165 -2.022 -2.302 1.00 0.00 C ATOM 1265 C PRO A 81 9.194 -0.803 -2.497 1.00 0.00 C ATOM 1266 O PRO A 81 9.432 0.327 -2.408 1.00 0.00 O ATOM 1267 CB PRO A 81 10.382 -2.224 -0.759 1.00 0.00 C ATOM 1268 CG PRO A 81 11.533 -1.317 -0.363 1.00 0.00 C ATOM 1269 CD PRO A 81 12.196 -0.765 -1.561 1.00 0.00 C ATOM 0 HA PRO A 81 9.725 -2.759 -2.974 1.00 0.00 H new ATOM 0 HB2 PRO A 81 9.479 -1.970 -0.204 1.00 0.00 H new ATOM 0 HB3 PRO A 81 10.613 -3.265 -0.533 1.00 0.00 H new ATOM 0 HG2 PRO A 81 11.164 -0.504 0.262 1.00 0.00 H new ATOM 0 HG3 PRO A 81 12.254 -1.875 0.234 1.00 0.00 H new ATOM 0 HD2 PRO A 81 11.900 0.258 -1.795 1.00 0.00 H new ATOM 0 HD3 PRO A 81 13.285 -0.777 -1.505 1.00 0.00 H new ATOM 1277 N THR A 82 8.004 -1.295 -2.778 1.00 0.00 N ATOM 1278 CA THR A 82 7.102 -0.687 -3.785 1.00 0.00 C ATOM 1279 C THR A 82 5.674 -0.510 -3.218 1.00 0.00 C ATOM 1280 O THR A 82 5.025 -1.474 -2.704 1.00 0.00 O ATOM 1281 CB THR A 82 7.123 -1.437 -5.108 1.00 0.00 C ATOM 1282 OG1 THR A 82 8.415 -1.893 -5.474 1.00 0.00 O ATOM 1283 CG2 THR A 82 6.532 -0.498 -6.200 1.00 0.00 C ATOM 0 H THR A 82 7.619 -2.125 -2.326 1.00 0.00 H new ATOM 0 HA THR A 82 7.482 0.310 -4.008 1.00 0.00 H new ATOM 0 HB THR A 82 6.520 -2.339 -5.004 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.550 -2.801 -5.132 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.535 -1.011 -7.162 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.509 -0.230 -5.935 1.00 0.00 H new ATOM 0 HG23 THR A 82 7.138 0.406 -6.269 1.00 0.00 H new ATOM 1291 N PHE A 83 5.333 0.827 -3.269 1.00 0.00 N ATOM 1292 CA PHE A 83 4.062 1.494 -2.976 1.00 0.00 C ATOM 1293 C PHE A 83 3.310 1.798 -4.252 1.00 0.00 C ATOM 1294 O PHE A 83 3.720 2.213 -5.317 1.00 0.00 O ATOM 1295 CB PHE A 83 4.489 2.763 -2.071 1.00 0.00 C ATOM 1296 CG PHE A 83 4.945 2.476 -0.636 1.00 0.00 C ATOM 1297 CD1 PHE A 83 4.126 2.483 0.458 1.00 0.00 C ATOM 1298 CD2 PHE A 83 6.326 2.389 -0.511 1.00 0.00 C ATOM 1299 CE1 PHE A 83 4.628 2.021 1.739 1.00 0.00 C ATOM 1300 CE2 PHE A 83 6.834 1.852 0.608 1.00 0.00 C ATOM 1301 CZ PHE A 83 6.020 1.833 1.801 1.00 0.00 C ATOM 0 H PHE A 83 6.035 1.513 -3.549 1.00 0.00 H new ATOM 0 HA PHE A 83 3.340 0.890 -2.426 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.295 3.288 -2.583 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.641 3.447 -2.026 1.00 0.00 H new ATOM 0 HD1 PHE A 83 3.108 2.832 0.370 1.00 0.00 H new ATOM 0 HD2 PHE A 83 6.975 2.746 -1.297 1.00 0.00 H new ATOM 0 HE1 PHE A 83 3.980 1.835 2.583 1.00 0.00 H new ATOM 0 HE2 PHE A 83 7.833 1.442 0.617 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.490 1.671 2.760 1.00 0.00 H new ATOM 1311 N ILE A 84 2.052 1.325 -4.147 1.00 0.00 N ATOM 1312 CA ILE A 84 0.958 1.291 -5.187 1.00 0.00 C ATOM 1313 C ILE A 84 -0.336 1.941 -4.563 1.00 0.00 C ATOM 1314 O ILE A 84 -0.673 1.748 -3.426 1.00 0.00 O ATOM 1315 CB ILE A 84 0.905 -0.138 -5.642 1.00 0.00 C ATOM 1316 CG1 ILE A 84 1.967 -0.453 -6.727 1.00 0.00 C ATOM 1317 CG2 ILE A 84 -0.508 -0.652 -6.059 1.00 0.00 C ATOM 1318 CD1 ILE A 84 2.769 -1.701 -6.446 1.00 0.00 C ATOM 0 H ILE A 84 1.730 0.920 -3.268 1.00 0.00 H new ATOM 0 HA ILE A 84 1.109 1.887 -6.087 1.00 0.00 H new ATOM 0 HB ILE A 84 1.155 -0.705 -4.745 1.00 0.00 H new ATOM 0 HG12 ILE A 84 1.469 -0.561 -7.690 1.00 0.00 H new ATOM 0 HG13 ILE A 84 2.648 0.394 -6.814 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.439 -1.694 -6.371 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.189 -0.572 -5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.885 -0.050 -6.886 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.491 -1.857 -7.247 1.00 0.00 H new ATOM 0 HD12 ILE A 84 3.296 -1.589 -5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.099 -2.559 -6.389 1.00 0.00 H new ATOM 1330 N PHE A 85 -0.801 2.749 -5.490 1.00 0.00 N ATOM 1331 CA PHE A 85 -1.822 3.768 -5.244 1.00 0.00 C ATOM 1332 C PHE A 85 -2.926 3.377 -6.281 1.00 0.00 C ATOM 1333 O PHE A 85 -2.812 3.417 -7.539 1.00 0.00 O ATOM 1334 CB PHE A 85 -1.258 5.201 -5.573 1.00 0.00 C ATOM 1335 CG PHE A 85 -0.233 5.658 -4.523 1.00 0.00 C ATOM 1336 CD1 PHE A 85 1.157 5.220 -4.591 1.00 0.00 C ATOM 1337 CD2 PHE A 85 -0.577 6.534 -3.527 1.00 0.00 C ATOM 1338 CE1 PHE A 85 2.001 5.491 -3.553 1.00 0.00 C ATOM 1339 CE2 PHE A 85 0.317 6.923 -2.544 1.00 0.00 C ATOM 1340 CZ PHE A 85 1.621 6.411 -2.598 1.00 0.00 C ATOM 0 H PHE A 85 -0.480 2.723 -6.458 1.00 0.00 H new ATOM 0 HA PHE A 85 -2.170 3.804 -4.212 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.792 5.192 -6.558 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.080 5.916 -5.616 1.00 0.00 H new ATOM 0 HD1 PHE A 85 1.516 4.685 -5.457 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.580 6.935 -3.508 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.955 4.991 -3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.018 7.601 -1.758 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.348 6.746 -1.872 1.00 0.00 H new ATOM 1350 N LEU A 86 -3.992 2.767 -5.648 1.00 0.00 N ATOM 1351 CA LEU A 86 -5.248 2.219 -6.230 1.00 0.00 C ATOM 1352 C LEU A 86 -6.311 2.955 -5.400 1.00 0.00 C ATOM 1353 O LEU A 86 -6.357 3.138 -4.193 1.00 0.00 O ATOM 1354 CB LEU A 86 -5.304 0.731 -5.965 1.00 0.00 C ATOM 1355 CG LEU A 86 -6.028 -0.266 -6.914 1.00 0.00 C ATOM 1356 CD1 LEU A 86 -7.462 0.121 -7.311 1.00 0.00 C ATOM 1357 CD2 LEU A 86 -5.246 -0.711 -8.182 1.00 0.00 C ATOM 0 H LEU A 86 -3.980 2.643 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.360 2.352 -7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.272 0.391 -5.886 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.757 0.608 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 86 -6.079 -1.131 -6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.874 -0.640 -7.973 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -8.079 0.197 -6.416 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.450 1.082 -7.826 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.856 -1.405 -8.761 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.013 0.162 -8.791 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.320 -1.203 -7.884 1.00 0.00 H new ATOM 1369 N LYS A 87 -7.240 3.535 -6.143 1.00 0.00 N ATOM 1370 CA LYS A 87 -8.360 4.481 -5.716 1.00 0.00 C ATOM 1371 C LYS A 87 -9.595 4.082 -6.561 1.00 0.00 C ATOM 1372 O LYS A 87 -9.573 3.272 -7.477 1.00 0.00 O ATOM 1373 CB LYS A 87 -7.778 5.878 -6.150 1.00 0.00 C ATOM 1374 CG LYS A 87 -8.560 7.020 -5.337 1.00 0.00 C ATOM 1375 CD LYS A 87 -8.485 8.461 -5.925 1.00 0.00 C ATOM 1376 CE LYS A 87 -9.047 9.437 -4.935 1.00 0.00 C ATOM 1377 NZ LYS A 87 -9.175 10.759 -5.474 1.00 0.00 N ATOM 0 H LYS A 87 -7.268 3.369 -7.149 1.00 0.00 H new ATOM 0 HA LYS A 87 -8.652 4.471 -4.666 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -6.709 5.926 -5.941 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -7.900 6.024 -7.223 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -9.609 6.733 -5.268 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.169 7.045 -4.320 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.451 8.717 -6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -9.043 8.513 -6.860 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -10.025 9.088 -4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.403 9.468 -4.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -9.568 11.393 -4.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.240 11.106 -5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.811 10.738 -6.297 1.00 0.00 H new ATOM 1390 N ASP A 88 -10.832 4.623 -6.222 1.00 0.00 N ATOM 1391 CA ASP A 88 -11.999 4.618 -7.143 1.00 0.00 C ATOM 1392 C ASP A 88 -11.915 5.138 -8.573 1.00 0.00 C ATOM 1393 O ASP A 88 -12.730 5.909 -9.082 1.00 0.00 O ATOM 1394 CB ASP A 88 -13.112 5.241 -6.362 1.00 0.00 C ATOM 1395 CG ASP A 88 -13.203 6.759 -6.012 1.00 0.00 C ATOM 1396 OD1 ASP A 88 -14.072 7.531 -6.453 1.00 0.00 O ATOM 1397 OD2 ASP A 88 -12.313 7.109 -5.066 1.00 0.00 O ATOM 0 H ASP A 88 -11.023 5.059 -5.320 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.131 3.573 -7.422 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -14.030 4.999 -6.898 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -13.149 4.709 -5.411 1.00 0.00 H new ATOM 1403 N GLY A 89 -11.005 4.515 -9.286 1.00 0.00 N ATOM 1404 CA GLY A 89 -10.805 4.562 -10.694 1.00 0.00 C ATOM 1405 C GLY A 89 -9.536 3.749 -11.082 1.00 0.00 C ATOM 1406 O GLY A 89 -8.671 4.343 -11.748 1.00 0.00 O ATOM 0 H GLY A 89 -10.323 3.904 -8.836 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.677 4.156 -11.207 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -10.697 5.597 -11.019 1.00 0.00 H new ATOM 1410 N LYS A 90 -9.332 2.476 -10.674 1.00 0.00 N ATOM 1411 CA LYS A 90 -8.163 1.586 -10.945 1.00 0.00 C ATOM 1412 C LYS A 90 -6.722 2.144 -10.466 1.00 0.00 C ATOM 1413 O LYS A 90 -6.659 3.111 -9.682 1.00 0.00 O ATOM 1414 CB LYS A 90 -8.148 1.082 -12.413 1.00 0.00 C ATOM 1415 CG LYS A 90 -7.869 -0.380 -12.635 1.00 0.00 C ATOM 1416 CD LYS A 90 -7.848 -0.890 -14.089 1.00 0.00 C ATOM 1417 CE LYS A 90 -9.191 -0.730 -14.833 1.00 0.00 C ATOM 1418 NZ LYS A 90 -9.050 -1.438 -16.100 1.00 0.00 N ATOM 0 H LYS A 90 -10.030 2.000 -10.102 1.00 0.00 H new ATOM 0 HA LYS A 90 -8.327 0.728 -10.293 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.115 1.313 -12.859 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -7.399 1.656 -12.960 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.903 -0.610 -12.184 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -8.620 -0.952 -12.089 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -7.074 -0.355 -14.639 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -7.568 -1.943 -14.089 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.011 -1.144 -14.246 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -9.419 0.323 -15.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -9.934 -1.359 -16.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -8.271 -1.019 -16.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -8.845 -2.441 -15.916 1.00 0.00 H new ATOM 1431 N LEU A 91 -5.653 1.618 -11.020 1.00 0.00 N ATOM 1432 CA LEU A 91 -4.233 1.951 -10.804 1.00 0.00 C ATOM 1433 C LEU A 91 -3.750 3.415 -11.153 1.00 0.00 C ATOM 1434 O LEU A 91 -3.327 3.686 -12.317 1.00 0.00 O ATOM 1435 CB LEU A 91 -3.367 0.774 -11.495 1.00 0.00 C ATOM 1436 CG LEU A 91 -1.865 0.744 -11.174 1.00 0.00 C ATOM 1437 CD1 LEU A 91 -1.487 0.277 -9.707 1.00 0.00 C ATOM 1438 CD2 LEU A 91 -1.175 -0.116 -12.216 1.00 0.00 C ATOM 0 H LEU A 91 -5.749 0.869 -11.705 1.00 0.00 H new ATOM 0 HA LEU A 91 -4.068 1.989 -9.727 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.797 -0.183 -11.200 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.483 0.856 -12.576 1.00 0.00 H new ATOM 0 HG LEU A 91 -1.516 1.776 -11.210 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.404 0.293 -9.588 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.941 0.952 -8.982 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.856 -0.735 -9.541 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.106 -0.152 -12.008 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -1.585 -1.125 -12.184 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.338 0.311 -13.206 1.00 0.00 H new ATOM 1450 N VAL A 92 -3.895 4.309 -10.166 1.00 0.00 N ATOM 1451 CA VAL A 92 -3.443 5.675 -10.220 1.00 0.00 C ATOM 1452 C VAL A 92 -1.854 5.952 -10.230 1.00 0.00 C ATOM 1453 O VAL A 92 -1.546 6.803 -11.080 1.00 0.00 O ATOM 1454 CB VAL A 92 -4.189 6.583 -9.221 1.00 0.00 C ATOM 1455 CG1 VAL A 92 -5.712 6.721 -9.530 1.00 0.00 C ATOM 1456 CG2 VAL A 92 -4.146 6.207 -7.747 1.00 0.00 C ATOM 0 H VAL A 92 -4.349 4.076 -9.283 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.723 5.956 -11.235 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.619 7.500 -9.372 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -6.176 7.373 -8.790 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.844 7.149 -10.524 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.181 5.738 -9.493 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.713 6.936 -7.169 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.582 5.217 -7.611 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.111 6.198 -7.404 1.00 0.00 H new ATOM 1466 N ASP A 93 -1.013 5.402 -9.330 1.00 0.00 N ATOM 1467 CA ASP A 93 0.390 5.875 -9.153 1.00 0.00 C ATOM 1468 C ASP A 93 1.242 4.676 -8.487 1.00 0.00 C ATOM 1469 O ASP A 93 0.699 3.789 -7.892 1.00 0.00 O ATOM 1470 CB ASP A 93 0.401 7.085 -8.189 1.00 0.00 C ATOM 1471 CG ASP A 93 1.614 7.869 -7.976 1.00 0.00 C ATOM 1472 OD1 ASP A 93 1.951 8.735 -8.715 1.00 0.00 O ATOM 1473 OD2 ASP A 93 2.155 7.726 -6.770 1.00 0.00 O ATOM 0 H ASP A 93 -1.273 4.632 -8.713 1.00 0.00 H new ATOM 0 HA ASP A 93 0.815 6.166 -10.113 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -0.368 7.775 -8.536 1.00 0.00 H new ATOM 0 HB3 ASP A 93 0.083 6.718 -7.213 1.00 0.00 H new ATOM 1479 N LYS A 94 2.563 4.873 -8.601 1.00 0.00 N ATOM 1480 CA LYS A 94 3.605 3.923 -8.132 1.00 0.00 C ATOM 1481 C LYS A 94 4.962 4.625 -7.830 1.00 0.00 C ATOM 1482 O LYS A 94 5.166 5.737 -8.419 1.00 0.00 O ATOM 1483 CB LYS A 94 3.660 2.720 -9.025 1.00 0.00 C ATOM 1484 CG LYS A 94 4.050 2.979 -10.529 1.00 0.00 C ATOM 1485 CD LYS A 94 2.975 3.451 -11.605 1.00 0.00 C ATOM 1486 CE LYS A 94 1.669 2.565 -11.672 1.00 0.00 C ATOM 1487 NZ LYS A 94 0.750 3.006 -12.684 1.00 0.00 N ATOM 0 H LYS A 94 2.954 5.712 -9.029 1.00 0.00 H new ATOM 0 HA LYS A 94 3.323 3.531 -7.155 1.00 0.00 H new ATOM 0 HB2 LYS A 94 4.376 2.015 -8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.684 2.235 -9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.842 3.728 -10.525 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.488 2.054 -10.905 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.688 4.479 -11.384 1.00 0.00 H new ATOM 0 HD3 LYS A 94 3.445 3.455 -12.589 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.947 1.529 -11.867 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.172 2.585 -10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.073 2.370 -12.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.434 3.973 -12.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.222 2.995 -13.611 1.00 0.00 H new ATOM 1500 N THR A 95 5.668 4.114 -6.768 1.00 0.00 N ATOM 1501 CA THR A 95 6.961 4.680 -6.280 1.00 0.00 C ATOM 1502 C THR A 95 7.562 3.526 -5.426 1.00 0.00 C ATOM 1503 O THR A 95 7.218 3.227 -4.289 1.00 0.00 O ATOM 1504 CB THR A 95 6.761 6.051 -5.432 1.00 0.00 C ATOM 1505 OG1 THR A 95 6.026 7.064 -6.096 1.00 0.00 O ATOM 1506 CG2 THR A 95 8.165 6.629 -4.957 1.00 0.00 C ATOM 0 H THR A 95 5.354 3.304 -6.234 1.00 0.00 H new ATOM 0 HA THR A 95 7.620 4.982 -7.094 1.00 0.00 H new ATOM 0 HB THR A 95 6.157 5.760 -4.573 1.00 0.00 H new ATOM 0 HG1 THR A 95 5.793 6.761 -6.998 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.008 7.547 -4.391 1.00 0.00 H new ATOM 0 HG22 THR A 95 8.666 5.895 -4.326 1.00 0.00 H new ATOM 0 HG23 THR A 95 8.785 6.842 -5.828 1.00 0.00 H new ATOM 1514 N VAL A 96 8.648 3.036 -6.032 1.00 0.00 N ATOM 1515 CA VAL A 96 9.594 1.996 -5.598 1.00 0.00 C ATOM 1516 C VAL A 96 10.776 2.755 -4.861 1.00 0.00 C ATOM 1517 O VAL A 96 11.637 3.429 -5.437 1.00 0.00 O ATOM 1518 CB VAL A 96 10.017 0.942 -6.750 1.00 0.00 C ATOM 1519 CG1 VAL A 96 10.517 1.680 -7.968 1.00 0.00 C ATOM 1520 CG2 VAL A 96 11.048 -0.158 -6.215 1.00 0.00 C ATOM 0 H VAL A 96 8.919 3.400 -6.946 1.00 0.00 H new ATOM 0 HA VAL A 96 9.124 1.306 -4.897 1.00 0.00 H new ATOM 0 HB VAL A 96 9.131 0.380 -7.047 1.00 0.00 H new ATOM 0 HG11 VAL A 96 10.799 0.962 -8.738 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.729 2.329 -8.349 1.00 0.00 H new ATOM 0 HG13 VAL A 96 11.384 2.282 -7.698 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.302 -0.843 -7.024 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.953 0.334 -5.859 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.593 -0.716 -5.397 1.00 0.00 H new ATOM 1530 N GLY A 97 10.638 2.763 -3.543 1.00 0.00 N ATOM 1531 CA GLY A 97 11.728 3.015 -2.555 1.00 0.00 C ATOM 1532 C GLY A 97 11.192 3.616 -1.210 1.00 0.00 C ATOM 1533 O GLY A 97 10.856 4.856 -1.095 1.00 0.00 O ATOM 0 H GLY A 97 9.738 2.590 -3.095 1.00 0.00 H new ATOM 0 HA2 GLY A 97 12.250 2.081 -2.349 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.457 3.699 -2.990 1.00 0.00 H new ATOM 1537 N ALA A 98 11.033 2.782 -0.234 1.00 0.00 N ATOM 1538 CA ALA A 98 10.811 3.297 1.151 1.00 0.00 C ATOM 1539 C ALA A 98 11.759 4.372 1.700 1.00 0.00 C ATOM 1540 O ALA A 98 12.979 4.286 1.585 1.00 0.00 O ATOM 1541 CB ALA A 98 10.790 2.061 1.974 1.00 0.00 C ATOM 0 H ALA A 98 11.046 1.766 -0.325 1.00 0.00 H new ATOM 0 HA ALA A 98 9.890 3.880 1.169 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.631 2.323 3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.982 1.412 1.636 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.741 1.539 1.871 1.00 0.00 H new ATOM 1547 N ASP A 99 11.121 5.436 2.342 1.00 0.00 N ATOM 1548 CA ASP A 99 11.798 6.633 2.865 1.00 0.00 C ATOM 1549 C ASP A 99 10.819 7.095 4.021 1.00 0.00 C ATOM 1550 O ASP A 99 9.654 7.241 3.823 1.00 0.00 O ATOM 1551 CB ASP A 99 12.138 7.537 1.737 1.00 0.00 C ATOM 1552 CG ASP A 99 12.862 8.819 2.120 1.00 0.00 C ATOM 1553 OD1 ASP A 99 12.286 9.852 2.384 1.00 0.00 O ATOM 1554 OD2 ASP A 99 14.149 8.673 2.275 1.00 0.00 O ATOM 0 H ASP A 99 10.113 5.453 2.495 1.00 0.00 H new ATOM 0 HA ASP A 99 12.786 6.532 3.313 1.00 0.00 H new ATOM 0 HB2 ASP A 99 12.758 6.988 1.029 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.218 7.802 1.216 1.00 0.00 H new ATOM 1560 N LYS A 100 11.416 7.393 5.170 1.00 0.00 N ATOM 1561 CA LYS A 100 10.661 7.879 6.331 1.00 0.00 C ATOM 1562 C LYS A 100 9.634 9.104 6.125 1.00 0.00 C ATOM 1563 O LYS A 100 8.428 8.978 6.325 1.00 0.00 O ATOM 1564 CB LYS A 100 11.547 8.065 7.599 1.00 0.00 C ATOM 1565 CG LYS A 100 12.677 9.169 7.717 1.00 0.00 C ATOM 1566 CD LYS A 100 13.642 9.108 8.852 1.00 0.00 C ATOM 1567 CE LYS A 100 14.719 10.181 8.654 1.00 0.00 C ATOM 1568 NZ LYS A 100 15.736 9.975 9.738 1.00 0.00 N ATOM 0 H LYS A 100 12.420 7.308 5.327 1.00 0.00 H new ATOM 0 HA LYS A 100 9.981 7.043 6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 100 10.863 8.235 8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 100 12.034 7.106 7.778 1.00 0.00 H new ATOM 0 HG2 LYS A 100 13.256 9.145 6.794 1.00 0.00 H new ATOM 0 HG3 LYS A 100 12.183 10.140 7.759 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.122 9.267 9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 100 14.100 8.120 8.903 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.179 10.091 7.670 1.00 0.00 H new ATOM 0 HE3 LYS A 100 14.286 11.180 8.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 16.491 10.684 9.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 15.279 10.076 10.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 16.144 9.022 9.655 1.00 0.00 H new ATOM 1581 N ASP A 101 10.137 10.221 5.664 1.00 0.00 N ATOM 1582 CA ASP A 101 9.382 11.419 5.153 1.00 0.00 C ATOM 1583 C ASP A 101 8.594 11.303 3.749 1.00 0.00 C ATOM 1584 O ASP A 101 7.492 11.888 3.674 1.00 0.00 O ATOM 1585 CB ASP A 101 10.244 12.678 5.088 1.00 0.00 C ATOM 1586 CG ASP A 101 11.525 12.662 4.194 1.00 0.00 C ATOM 1587 OD1 ASP A 101 12.588 12.099 4.529 1.00 0.00 O ATOM 1588 OD2 ASP A 101 11.374 13.317 2.998 1.00 0.00 O ATOM 0 H ASP A 101 11.146 10.363 5.617 1.00 0.00 H new ATOM 0 HA ASP A 101 8.609 11.477 5.919 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.610 13.495 4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.553 12.920 6.105 1.00 0.00 H new ATOM 1594 N GLY A 102 9.266 10.705 2.751 1.00 0.00 N ATOM 1595 CA GLY A 102 8.719 10.451 1.433 1.00 0.00 C ATOM 1596 C GLY A 102 7.362 9.802 1.296 1.00 0.00 C ATOM 1597 O GLY A 102 6.447 10.204 0.593 1.00 0.00 O ATOM 0 H GLY A 102 10.228 10.382 2.854 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.677 11.406 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 102 9.434 9.825 0.899 1.00 0.00 H new ATOM 1601 N LEU A 103 7.101 8.750 2.118 1.00 0.00 N ATOM 1602 CA LEU A 103 5.758 8.083 2.354 1.00 0.00 C ATOM 1603 C LEU A 103 4.669 9.181 2.774 1.00 0.00 C ATOM 1604 O LEU A 103 3.877 9.486 1.901 1.00 0.00 O ATOM 1605 CB LEU A 103 5.901 6.844 3.203 1.00 0.00 C ATOM 1606 CG LEU A 103 4.621 5.997 3.456 1.00 0.00 C ATOM 1607 CD1 LEU A 103 3.908 5.541 2.170 1.00 0.00 C ATOM 1608 CD2 LEU A 103 5.069 4.836 4.378 1.00 0.00 C ATOM 0 H LEU A 103 7.842 8.313 2.666 1.00 0.00 H new ATOM 0 HA LEU A 103 5.346 7.666 1.435 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.644 6.199 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.303 7.144 4.171 1.00 0.00 H new ATOM 0 HG LEU A 103 3.847 6.595 3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.026 4.956 2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.606 6.414 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.586 4.929 1.575 1.00 0.00 H new ATOM 0 HD21 LEU A 103 4.215 4.196 4.599 1.00 0.00 H new ATOM 0 HD22 LEU A 103 5.841 4.251 3.878 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.467 5.243 5.308 1.00 0.00 H new ATOM 1620 N PRO A 104 4.593 9.890 3.898 1.00 0.00 N ATOM 1621 CA PRO A 104 3.914 11.164 4.101 1.00 0.00 C ATOM 1622 C PRO A 104 3.876 12.305 3.074 1.00 0.00 C ATOM 1623 O PRO A 104 2.764 12.737 2.847 1.00 0.00 O ATOM 1624 CB PRO A 104 4.472 11.670 5.410 1.00 0.00 C ATOM 1625 CG PRO A 104 4.907 10.426 6.139 1.00 0.00 C ATOM 1626 CD PRO A 104 5.451 9.543 5.038 1.00 0.00 C ATOM 0 HA PRO A 104 2.860 10.898 4.025 1.00 0.00 H new ATOM 0 HB2 PRO A 104 5.309 12.349 5.249 1.00 0.00 H new ATOM 0 HB3 PRO A 104 3.720 12.220 5.976 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.666 10.646 6.889 1.00 0.00 H new ATOM 0 HG3 PRO A 104 4.073 9.953 6.658 1.00 0.00 H new ATOM 0 HD2 PRO A 104 6.501 9.751 4.833 1.00 0.00 H new ATOM 0 HD3 PRO A 104 5.379 8.486 5.293 1.00 0.00 H new ATOM 1634 N THR A 105 5.016 12.624 2.387 1.00 0.00 N ATOM 1635 CA THR A 105 5.052 13.609 1.270 1.00 0.00 C ATOM 1636 C THR A 105 4.111 13.372 0.040 1.00 0.00 C ATOM 1637 O THR A 105 3.220 14.225 -0.256 1.00 0.00 O ATOM 1638 CB THR A 105 6.497 13.904 0.856 1.00 0.00 C ATOM 1639 OG1 THR A 105 7.312 13.991 2.012 1.00 0.00 O ATOM 1640 CG2 THR A 105 6.849 15.081 -0.077 1.00 0.00 C ATOM 0 H THR A 105 5.924 12.208 2.593 1.00 0.00 H new ATOM 0 HA THR A 105 4.596 14.497 1.708 1.00 0.00 H new ATOM 0 HB THR A 105 6.686 13.050 0.206 1.00 0.00 H new ATOM 0 HG1 THR A 105 7.501 13.090 2.348 1.00 0.00 H new ATOM 0 HG21 THR A 105 7.927 15.107 -0.239 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.341 14.952 -1.033 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.529 16.017 0.381 1.00 0.00 H new ATOM 1648 N LEU A 106 4.350 12.224 -0.591 1.00 0.00 N ATOM 1649 CA LEU A 106 3.541 11.591 -1.650 1.00 0.00 C ATOM 1650 C LEU A 106 2.039 11.248 -1.271 1.00 0.00 C ATOM 1651 O LEU A 106 1.208 11.556 -2.105 1.00 0.00 O ATOM 1652 CB LEU A 106 4.367 10.403 -2.202 1.00 0.00 C ATOM 1653 CG LEU A 106 3.748 9.315 -3.230 1.00 0.00 C ATOM 1654 CD1 LEU A 106 3.412 9.892 -4.634 1.00 0.00 C ATOM 1655 CD2 LEU A 106 4.502 8.019 -3.489 1.00 0.00 C ATOM 0 H LEU A 106 5.173 11.665 -0.364 1.00 0.00 H new ATOM 0 HA LEU A 106 3.363 12.321 -2.440 1.00 0.00 H new ATOM 0 HB2 LEU A 106 5.241 10.832 -2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.727 9.845 -1.337 1.00 0.00 H new ATOM 0 HG LEU A 106 2.865 9.060 -2.644 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.002 9.102 -5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.679 10.692 -4.533 1.00 0.00 H new ATOM 0 HD13 LEU A 106 4.319 10.287 -5.092 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.945 7.410 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.486 8.246 -3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.616 7.471 -2.554 1.00 0.00 H new ATOM 1667 N VAL A 107 1.720 10.551 -0.154 1.00 0.00 N ATOM 1668 CA VAL A 107 0.349 10.291 0.384 1.00 0.00 C ATOM 1669 C VAL A 107 -0.488 11.592 0.537 1.00 0.00 C ATOM 1670 O VAL A 107 -1.619 11.668 0.025 1.00 0.00 O ATOM 1671 CB VAL A 107 0.385 9.390 1.648 1.00 0.00 C ATOM 1672 CG1 VAL A 107 -1.008 9.289 2.349 1.00 0.00 C ATOM 1673 CG2 VAL A 107 0.807 8.027 1.177 1.00 0.00 C ATOM 0 H VAL A 107 2.443 10.131 0.430 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.193 9.710 -0.362 1.00 0.00 H new ATOM 0 HB VAL A 107 1.070 9.813 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -0.928 8.648 3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.335 10.283 2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.734 8.866 1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.851 7.346 2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.086 7.654 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.791 8.091 0.713 1.00 0.00 H new ATOM 1683 N ALA A 108 0.058 12.583 1.293 1.00 0.00 N ATOM 1684 CA ALA A 108 -0.451 13.975 1.354 1.00 0.00 C ATOM 1685 C ALA A 108 -0.778 14.742 0.040 1.00 0.00 C ATOM 1686 O ALA A 108 -1.865 15.320 -0.037 1.00 0.00 O ATOM 1687 CB ALA A 108 0.560 14.811 2.169 1.00 0.00 C ATOM 0 H ALA A 108 0.875 12.432 1.884 1.00 0.00 H new ATOM 0 HA ALA A 108 -1.437 13.855 1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.213 15.842 2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 108 0.649 14.396 3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.533 14.785 1.678 1.00 0.00 H new ATOM 1693 N LYS A 109 0.057 14.631 -0.988 1.00 0.00 N ATOM 1694 CA LYS A 109 -0.279 14.897 -2.419 1.00 0.00 C ATOM 1695 C LYS A 109 -1.463 14.046 -3.078 1.00 0.00 C ATOM 1696 O LYS A 109 -2.375 14.620 -3.652 1.00 0.00 O ATOM 1697 CB LYS A 109 1.006 14.862 -3.392 1.00 0.00 C ATOM 1698 CG LYS A 109 2.133 15.894 -3.094 1.00 0.00 C ATOM 1699 CD LYS A 109 3.321 15.906 -4.059 1.00 0.00 C ATOM 1700 CE LYS A 109 4.371 16.960 -3.619 1.00 0.00 C ATOM 1701 NZ LYS A 109 5.482 17.106 -4.569 1.00 0.00 N ATOM 0 H LYS A 109 1.028 14.344 -0.863 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.670 15.911 -2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.439 13.863 -3.349 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.663 15.017 -4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 109 1.690 16.890 -3.086 1.00 0.00 H new ATOM 0 HG3 LYS A 109 2.511 15.705 -2.089 1.00 0.00 H new ATOM 0 HD2 LYS A 109 3.781 14.918 -4.091 1.00 0.00 H new ATOM 0 HD3 LYS A 109 2.975 16.129 -5.068 1.00 0.00 H new ATOM 0 HE2 LYS A 109 3.878 17.924 -3.496 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.770 16.680 -2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 6.147 17.824 -4.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.975 16.196 -4.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 5.111 17.402 -5.494 1.00 0.00 H new ATOM 1714 N HIS A 110 -1.484 12.687 -2.918 1.00 0.00 N ATOM 1715 CA HIS A 110 -2.519 11.702 -3.321 1.00 0.00 C ATOM 1716 C HIS A 110 -3.926 11.960 -2.658 1.00 0.00 C ATOM 1717 O HIS A 110 -4.939 12.196 -3.275 1.00 0.00 O ATOM 1718 CB HIS A 110 -1.988 10.206 -3.325 1.00 0.00 C ATOM 1719 CG HIS A 110 -1.538 9.660 -4.694 1.00 0.00 C ATOM 1720 ND1 HIS A 110 -2.415 9.056 -5.544 1.00 0.00 N ATOM 1721 CD2 HIS A 110 -0.366 10.059 -5.384 1.00 0.00 C ATOM 1722 CE1 HIS A 110 -1.823 9.290 -6.774 1.00 0.00 C ATOM 1723 NE2 HIS A 110 -0.645 10.014 -6.769 1.00 0.00 N ATOM 0 H HIS A 110 -0.702 12.218 -2.461 1.00 0.00 H new ATOM 0 HA HIS A 110 -2.732 11.878 -4.375 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -1.149 10.136 -2.633 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -2.775 9.559 -2.938 1.00 0.00 H new ATOM 0 HD2 HIS A 110 0.572 10.346 -4.932 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -2.260 8.925 -7.692 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -0.121 10.408 -7.551 1.00 0.00 H new ATOM 1731 N ALA A 111 -3.953 11.783 -1.354 1.00 0.00 N ATOM 1732 CA ALA A 111 -5.121 12.120 -0.434 1.00 0.00 C ATOM 1733 C ALA A 111 -5.733 13.571 -0.551 1.00 0.00 C ATOM 1734 O ALA A 111 -6.925 13.709 -0.668 1.00 0.00 O ATOM 1735 CB ALA A 111 -4.740 11.842 1.011 1.00 0.00 C ATOM 0 H ALA A 111 -3.159 11.391 -0.848 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.921 11.466 -0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.580 12.085 1.662 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.487 10.788 1.124 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -3.880 12.453 1.285 1.00 0.00 H new