USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 804 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 53 TYR OH : rot -116:sc= -5.6! USER MOD Set 1.2: A 81 HIS : no HD1:sc= -6.49! C(o=-25!,f=-26!) USER MOD Set 1.3: A 88 HIS : no HE2:sc= -12.4! C(o=-25!,f=-26!) USER MOD Set 2.1: A 43 SER OG : rot 162:sc= -5.25! USER MOD Set 2.2: A 52 HIS : no HE2:sc= -15.3! C(o=-21!,f=-26!) USER MOD Single : A 1 SER N :NH3+ -150:sc= -2.13 (180deg=-3.41!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 8 CYS SG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0113 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -1.3 K(o=-1.3,f=-2.4!) USER MOD Single : A 23 ASN : amide:sc= -7.76! C(o=-7.8!,f=-18!) USER MOD Single : A 25 THR OG1 : rot 21:sc= 0.347 USER MOD Single : A 33 SER OG : rot 148:sc= 0.888 USER MOD Single : A 35 LYS NZ :NH3+ -154:sc= -0.0258 (180deg=-0.719) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -36:sc= 0.321 USER MOD Single : A 48 GLN : amide:sc= -0.16 X(o=-0.16,f=-0.0069) USER MOD Single : A 54 LYS NZ :NH3+ -94:sc= -0.215 (180deg=-1.3) USER MOD Single : A 64 HIS : no HD1:sc= -4.77! C(o=-4.8!,f=-4.7!) USER MOD Single : A 66 ASN : amide:sc= -0.63 X(o=-0.63,f=-0.56) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc=-0.00348 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0.0039) USER MOD Single : A 80 TYR OH : rot 180:sc= -2.41 USER MOD Single : A 84 GLN : amide:sc= -0.0222 X(o=-0.022,f=-0.24) USER MOD Single : A 85 SER OG : rot 180:sc= -1.07 USER MOD Single : A 87 SER OG : rot 55:sc= -0.3 USER MOD Single : A 96 CYS SG : rot 62:sc= -2.54! USER MOD Single : A 98 LYS NZ :NH3+ -169:sc= -1.24 (180deg=-1.41) USER MOD Single : A 99 HIS : no HE2:sc= 0.00589 X(o=0.0059,f=-0.058) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 9.755 6.593 4.765 1.00 0.00 N ATOM 2 CA SER A 1 10.419 5.290 5.030 1.00 0.00 C ATOM 3 C SER A 1 9.406 4.236 5.466 1.00 0.00 C ATOM 4 O SER A 1 8.858 4.305 6.566 1.00 0.00 O ATOM 5 CB SER A 1 11.478 5.491 6.116 1.00 0.00 C ATOM 6 OG SER A 1 12.785 5.418 5.573 1.00 0.00 O ATOM 0 H1 SER A 1 10.284 7.110 4.033 1.00 0.00 H new ATOM 0 H2 SER A 1 8.782 6.427 4.437 1.00 0.00 H new ATOM 0 H3 SER A 1 9.734 7.156 5.639 1.00 0.00 H new ATOM 0 HA SER A 1 10.889 4.934 4.113 1.00 0.00 H new ATOM 0 HB2 SER A 1 11.333 6.459 6.595 1.00 0.00 H new ATOM 0 HB3 SER A 1 11.359 4.732 6.889 1.00 0.00 H new ATOM 0 HG SER A 1 13.444 5.551 6.286 1.00 0.00 H new ATOM 14 N GLU A 2 9.167 3.260 4.596 1.00 0.00 N ATOM 15 CA GLU A 2 8.225 2.183 4.883 1.00 0.00 C ATOM 16 C GLU A 2 6.784 2.694 4.898 1.00 0.00 C ATOM 17 O GLU A 2 6.539 3.886 5.072 1.00 0.00 O ATOM 18 CB GLU A 2 8.556 1.524 6.225 1.00 0.00 C ATOM 19 CG GLU A 2 10.031 1.194 6.395 1.00 0.00 C ATOM 20 CD GLU A 2 10.356 -0.236 6.010 1.00 0.00 C ATOM 21 OE1 GLU A 2 9.720 -0.757 5.070 1.00 0.00 O ATOM 22 OE2 GLU A 2 11.245 -0.835 6.651 1.00 0.00 O ATOM 0 H GLU A 2 9.615 3.193 3.682 1.00 0.00 H new ATOM 0 HA GLU A 2 8.318 1.443 4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 2 8.246 2.187 7.032 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.974 0.608 6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 2 10.625 1.875 5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 2 10.320 1.362 7.433 1.00 0.00 H new ATOM 29 N PRO A 3 5.808 1.786 4.706 1.00 0.00 N ATOM 30 CA PRO A 3 4.383 2.122 4.687 1.00 0.00 C ATOM 31 C PRO A 3 3.783 2.167 6.086 1.00 0.00 C ATOM 32 O PRO A 3 3.343 3.217 6.549 1.00 0.00 O ATOM 33 CB PRO A 3 3.746 0.954 3.906 1.00 0.00 C ATOM 34 CG PRO A 3 4.868 0.017 3.562 1.00 0.00 C ATOM 35 CD PRO A 3 6.006 0.355 4.480 1.00 0.00 C ATOM 0 HA PRO A 3 4.212 3.106 4.250 1.00 0.00 H new ATOM 0 HB2 PRO A 3 2.989 0.451 4.508 1.00 0.00 H new ATOM 0 HB3 PRO A 3 3.249 1.314 3.005 1.00 0.00 H new ATOM 0 HG2 PRO A 3 4.560 -1.020 3.692 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.164 0.133 2.519 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.962 -0.214 5.409 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.973 0.145 4.023 1.00 0.00 H new ATOM 43 N TRP A 4 3.757 0.988 6.718 1.00 0.00 N ATOM 44 CA TRP A 4 3.201 0.771 8.060 1.00 0.00 C ATOM 45 C TRP A 4 2.196 -0.371 7.991 1.00 0.00 C ATOM 46 O TRP A 4 1.015 -0.160 7.711 1.00 0.00 O ATOM 47 CB TRP A 4 2.523 2.019 8.639 1.00 0.00 C ATOM 48 CG TRP A 4 3.474 3.080 9.126 1.00 0.00 C ATOM 49 CD1 TRP A 4 3.134 4.340 9.531 1.00 0.00 C ATOM 50 CD2 TRP A 4 4.907 2.992 9.259 1.00 0.00 C ATOM 51 NE1 TRP A 4 4.254 5.037 9.907 1.00 0.00 N ATOM 52 CE2 TRP A 4 5.353 4.236 9.751 1.00 0.00 C ATOM 53 CE3 TRP A 4 5.858 1.992 9.015 1.00 0.00 C ATOM 54 CZ2 TRP A 4 6.696 4.503 10.002 1.00 0.00 C ATOM 55 CZ3 TRP A 4 7.190 2.261 9.265 1.00 0.00 C ATOM 56 CH2 TRP A 4 7.598 3.507 9.754 1.00 0.00 C ATOM 0 H TRP A 4 4.131 0.136 6.300 1.00 0.00 H new ATOM 0 HA TRP A 4 4.029 0.529 8.726 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.876 2.452 7.876 1.00 0.00 H new ATOM 0 HB3 TRP A 4 1.882 1.717 9.467 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.128 4.731 9.552 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.266 5.998 10.248 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.555 1.027 8.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 7.014 5.464 10.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.929 1.496 9.080 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.647 3.685 9.939 1.00 0.00 H new ATOM 67 N PHE A 5 2.681 -1.589 8.217 1.00 0.00 N ATOM 68 CA PHE A 5 1.832 -2.771 8.156 1.00 0.00 C ATOM 69 C PHE A 5 0.667 -2.669 9.135 1.00 0.00 C ATOM 70 O PHE A 5 0.830 -2.847 10.342 1.00 0.00 O ATOM 71 CB PHE A 5 2.654 -4.035 8.436 1.00 0.00 C ATOM 72 CG PHE A 5 3.153 -4.141 9.849 1.00 0.00 C ATOM 73 CD1 PHE A 5 4.273 -3.435 10.261 1.00 0.00 C ATOM 74 CD2 PHE A 5 2.503 -4.950 10.768 1.00 0.00 C ATOM 75 CE1 PHE A 5 4.734 -3.533 11.559 1.00 0.00 C ATOM 76 CE2 PHE A 5 2.958 -5.053 12.067 1.00 0.00 C ATOM 77 CZ PHE A 5 4.075 -4.344 12.464 1.00 0.00 C ATOM 0 H PHE A 5 3.657 -1.781 8.444 1.00 0.00 H new ATOM 0 HA PHE A 5 1.419 -2.834 7.149 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.044 -4.910 8.211 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.507 -4.058 7.758 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.792 -2.800 9.558 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.629 -5.507 10.464 1.00 0.00 H new ATOM 0 HE1 PHE A 5 5.608 -2.977 11.866 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.441 -5.687 12.772 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.433 -4.423 13.480 1.00 0.00 H new ATOM 87 N PHE A 6 -0.515 -2.394 8.598 1.00 0.00 N ATOM 88 CA PHE A 6 -1.720 -2.283 9.404 1.00 0.00 C ATOM 89 C PHE A 6 -2.797 -3.197 8.838 1.00 0.00 C ATOM 90 O PHE A 6 -3.590 -2.786 7.994 1.00 0.00 O ATOM 91 CB PHE A 6 -2.216 -0.837 9.429 1.00 0.00 C ATOM 92 CG PHE A 6 -1.739 -0.059 10.622 1.00 0.00 C ATOM 93 CD1 PHE A 6 -2.471 -0.052 11.798 1.00 0.00 C ATOM 94 CD2 PHE A 6 -0.559 0.664 10.567 1.00 0.00 C ATOM 95 CE1 PHE A 6 -2.036 0.663 12.897 1.00 0.00 C ATOM 96 CE2 PHE A 6 -0.117 1.381 11.663 1.00 0.00 C ATOM 97 CZ PHE A 6 -0.857 1.380 12.830 1.00 0.00 C ATOM 0 H PHE A 6 -0.663 -2.243 7.600 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.492 -2.585 10.426 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -1.886 -0.333 8.521 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.306 -0.835 9.416 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.393 -0.612 11.856 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.023 0.668 9.657 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.617 0.661 13.807 1.00 0.00 H new ATOM 0 HE2 PHE A 6 0.805 1.941 11.607 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.514 1.939 13.688 1.00 0.00 H new ATOM 107 N GLY A 7 -2.816 -4.442 9.302 1.00 0.00 N ATOM 108 CA GLY A 7 -3.788 -5.396 8.822 1.00 0.00 C ATOM 109 C GLY A 7 -5.127 -5.259 9.504 1.00 0.00 C ATOM 110 O GLY A 7 -5.975 -6.144 9.397 1.00 0.00 O ATOM 0 H GLY A 7 -2.171 -4.805 10.004 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.918 -5.267 7.748 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.407 -6.405 8.978 1.00 0.00 H new ATOM 114 N CYS A 8 -5.327 -4.153 10.211 1.00 0.00 N ATOM 115 CA CYS A 8 -6.581 -3.934 10.900 1.00 0.00 C ATOM 116 C CYS A 8 -7.202 -2.587 10.533 1.00 0.00 C ATOM 117 O CYS A 8 -8.130 -2.124 11.195 1.00 0.00 O ATOM 118 CB CYS A 8 -6.381 -4.026 12.414 1.00 0.00 C ATOM 119 SG CYS A 8 -7.773 -4.766 13.300 1.00 0.00 S ATOM 0 H CYS A 8 -4.642 -3.405 10.318 1.00 0.00 H new ATOM 0 HA CYS A 8 -7.270 -4.716 10.581 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -5.484 -4.611 12.616 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -6.205 -3.025 12.808 1.00 0.00 H new ATOM 0 HG CYS A 8 -7.508 -4.802 14.572 1.00 0.00 H new ATOM 125 N ILE A 9 -6.695 -1.961 9.472 1.00 0.00 N ATOM 126 CA ILE A 9 -7.218 -0.673 9.030 1.00 0.00 C ATOM 127 C ILE A 9 -8.234 -0.855 7.910 1.00 0.00 C ATOM 128 O ILE A 9 -7.873 -1.149 6.770 1.00 0.00 O ATOM 129 CB ILE A 9 -6.098 0.266 8.541 1.00 0.00 C ATOM 130 CG1 ILE A 9 -5.291 -0.394 7.419 1.00 0.00 C ATOM 131 CG2 ILE A 9 -5.191 0.660 9.697 1.00 0.00 C ATOM 132 CD1 ILE A 9 -5.287 0.404 6.134 1.00 0.00 C ATOM 0 H ILE A 9 -5.927 -2.324 8.907 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.701 -0.219 9.895 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.557 1.171 8.142 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.263 -0.534 7.754 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.700 -1.385 7.222 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -4.406 1.323 9.334 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.776 1.174 10.460 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.740 -0.234 10.127 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -4.697 -0.120 5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.310 0.522 5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.851 1.386 6.317 1.00 0.00 H new ATOM 144 N SER A 10 -9.508 -0.676 8.240 1.00 0.00 N ATOM 145 CA SER A 10 -10.576 -0.821 7.260 1.00 0.00 C ATOM 146 C SER A 10 -10.402 0.177 6.121 1.00 0.00 C ATOM 147 O SER A 10 -9.502 1.015 6.148 1.00 0.00 O ATOM 148 CB SER A 10 -11.938 -0.619 7.924 1.00 0.00 C ATOM 149 OG SER A 10 -11.913 0.479 8.819 1.00 0.00 O ATOM 0 H SER A 10 -9.825 -0.431 9.178 1.00 0.00 H new ATOM 0 HA SER A 10 -10.526 -1.830 6.850 1.00 0.00 H new ATOM 0 HB2 SER A 10 -12.697 -0.452 7.160 1.00 0.00 H new ATOM 0 HB3 SER A 10 -12.221 -1.524 8.462 1.00 0.00 H new ATOM 0 HG SER A 10 -12.797 0.587 9.229 1.00 0.00 H new ATOM 155 N ARG A 11 -11.271 0.082 5.121 1.00 0.00 N ATOM 156 CA ARG A 11 -11.217 0.979 3.974 1.00 0.00 C ATOM 157 C ARG A 11 -11.544 2.413 4.380 1.00 0.00 C ATOM 158 O ARG A 11 -11.303 3.352 3.625 1.00 0.00 O ATOM 159 CB ARG A 11 -12.188 0.509 2.888 1.00 0.00 C ATOM 160 CG ARG A 11 -11.609 0.556 1.484 1.00 0.00 C ATOM 161 CD ARG A 11 -12.675 0.282 0.435 1.00 0.00 C ATOM 162 NE ARG A 11 -12.162 0.432 -0.924 1.00 0.00 N ATOM 163 CZ ARG A 11 -12.920 0.351 -2.015 1.00 0.00 C ATOM 164 NH1 ARG A 11 -14.223 0.125 -1.912 1.00 0.00 N ATOM 165 NH2 ARG A 11 -12.373 0.496 -3.215 1.00 0.00 N ATOM 0 H ARG A 11 -12.021 -0.608 5.082 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.201 0.959 3.580 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -12.498 -0.512 3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -13.084 1.129 2.922 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -11.163 1.535 1.305 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.810 -0.180 1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -13.061 -0.729 0.567 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -13.512 0.964 0.583 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.165 0.609 -1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -14.650 0.012 -0.993 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.798 0.064 -2.752 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.372 0.670 -3.301 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.954 0.434 -4.051 1.00 0.00 H new ATOM 179 N SER A 12 -12.098 2.571 5.575 1.00 0.00 N ATOM 180 CA SER A 12 -12.465 3.888 6.079 1.00 0.00 C ATOM 181 C SER A 12 -11.250 4.635 6.623 1.00 0.00 C ATOM 182 O SER A 12 -11.182 5.861 6.546 1.00 0.00 O ATOM 183 CB SER A 12 -13.527 3.759 7.172 1.00 0.00 C ATOM 184 OG SER A 12 -14.493 4.791 7.070 1.00 0.00 O ATOM 0 H SER A 12 -12.303 1.803 6.214 1.00 0.00 H new ATOM 0 HA SER A 12 -12.871 4.461 5.246 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.017 2.789 7.094 1.00 0.00 H new ATOM 0 HB3 SER A 12 -13.051 3.798 8.152 1.00 0.00 H new ATOM 0 HG SER A 12 -15.161 4.685 7.779 1.00 0.00 H new ATOM 190 N GLU A 13 -10.294 3.895 7.179 1.00 0.00 N ATOM 191 CA GLU A 13 -9.094 4.509 7.737 1.00 0.00 C ATOM 192 C GLU A 13 -8.078 4.834 6.656 1.00 0.00 C ATOM 193 O GLU A 13 -7.535 5.926 6.631 1.00 0.00 O ATOM 194 CB GLU A 13 -8.432 3.605 8.773 1.00 0.00 C ATOM 195 CG GLU A 13 -9.411 2.791 9.606 1.00 0.00 C ATOM 196 CD GLU A 13 -10.409 3.656 10.352 1.00 0.00 C ATOM 197 OE1 GLU A 13 -10.441 4.879 10.101 1.00 0.00 O ATOM 198 OE2 GLU A 13 -11.160 3.109 11.187 1.00 0.00 O ATOM 0 H GLU A 13 -10.326 2.878 7.255 1.00 0.00 H new ATOM 0 HA GLU A 13 -9.418 5.433 8.217 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -7.752 2.923 8.262 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.827 4.218 9.440 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.949 2.102 8.955 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -8.856 2.185 10.322 1.00 0.00 H new ATOM 205 N ALA A 14 -7.808 3.876 5.779 1.00 0.00 N ATOM 206 CA ALA A 14 -6.835 4.076 4.719 1.00 0.00 C ATOM 207 C ALA A 14 -7.229 5.235 3.813 1.00 0.00 C ATOM 208 O ALA A 14 -6.398 6.074 3.467 1.00 0.00 O ATOM 209 CB ALA A 14 -6.665 2.797 3.915 1.00 0.00 C ATOM 0 H ALA A 14 -8.249 2.956 5.782 1.00 0.00 H new ATOM 0 HA ALA A 14 -5.881 4.331 5.180 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.933 2.959 3.124 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.319 1.998 4.571 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.621 2.515 3.473 1.00 0.00 H new ATOM 215 N VAL A 15 -8.499 5.287 3.435 1.00 0.00 N ATOM 216 CA VAL A 15 -8.981 6.360 2.570 1.00 0.00 C ATOM 217 C VAL A 15 -8.867 7.713 3.267 1.00 0.00 C ATOM 218 O VAL A 15 -8.455 8.699 2.660 1.00 0.00 O ATOM 219 CB VAL A 15 -10.443 6.136 2.129 1.00 0.00 C ATOM 220 CG1 VAL A 15 -10.903 7.249 1.197 1.00 0.00 C ATOM 221 CG2 VAL A 15 -10.600 4.777 1.463 1.00 0.00 C ATOM 0 H VAL A 15 -9.209 4.608 3.709 1.00 0.00 H new ATOM 0 HA VAL A 15 -8.350 6.352 1.682 1.00 0.00 H new ATOM 0 HB VAL A 15 -11.074 6.156 3.018 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -11.936 7.070 0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.835 8.207 1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -10.268 7.268 0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -11.638 4.638 1.159 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.955 4.725 0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -10.320 3.993 2.166 1.00 0.00 H new ATOM 231 N ARG A 16 -9.229 7.757 4.545 1.00 0.00 N ATOM 232 CA ARG A 16 -9.157 8.997 5.314 1.00 0.00 C ATOM 233 C ARG A 16 -7.749 9.226 5.860 1.00 0.00 C ATOM 234 O ARG A 16 -7.397 10.335 6.264 1.00 0.00 O ATOM 235 CB ARG A 16 -10.169 8.973 6.461 1.00 0.00 C ATOM 236 CG ARG A 16 -11.476 9.679 6.135 1.00 0.00 C ATOM 237 CD ARG A 16 -12.568 8.688 5.764 1.00 0.00 C ATOM 238 NE ARG A 16 -13.890 9.149 6.181 1.00 0.00 N ATOM 239 CZ ARG A 16 -15.031 8.602 5.766 1.00 0.00 C ATOM 240 NH1 ARG A 16 -15.016 7.575 4.925 1.00 0.00 N ATOM 241 NH2 ARG A 16 -16.190 9.083 6.193 1.00 0.00 N ATOM 0 H ARG A 16 -9.574 6.953 5.069 1.00 0.00 H new ATOM 0 HA ARG A 16 -9.400 9.821 4.644 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -10.381 7.937 6.725 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -9.722 9.441 7.338 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -11.796 10.269 6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.319 10.374 5.311 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -12.563 8.530 4.686 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -12.357 7.725 6.229 1.00 0.00 H new ATOM 0 HE ARG A 16 -13.942 9.936 6.828 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -14.127 7.201 4.593 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -15.893 7.160 4.611 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -16.208 9.872 6.839 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -17.064 8.664 5.875 1.00 0.00 H new ATOM 255 N ARG A 17 -6.952 8.167 5.867 1.00 0.00 N ATOM 256 CA ARG A 17 -5.583 8.232 6.358 1.00 0.00 C ATOM 257 C ARG A 17 -4.663 8.799 5.281 1.00 0.00 C ATOM 258 O ARG A 17 -3.952 9.775 5.509 1.00 0.00 O ATOM 259 CB ARG A 17 -5.109 6.837 6.800 1.00 0.00 C ATOM 260 CG ARG A 17 -3.621 6.754 7.100 1.00 0.00 C ATOM 261 CD ARG A 17 -3.204 5.340 7.468 1.00 0.00 C ATOM 262 NE ARG A 17 -2.044 5.322 8.356 1.00 0.00 N ATOM 263 CZ ARG A 17 -1.283 4.250 8.562 1.00 0.00 C ATOM 264 NH1 ARG A 17 -1.557 3.106 7.949 1.00 0.00 N ATOM 265 NH2 ARG A 17 -0.244 4.322 9.383 1.00 0.00 N ATOM 0 H ARG A 17 -7.233 7.245 5.535 1.00 0.00 H new ATOM 0 HA ARG A 17 -5.550 8.895 7.222 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -5.665 6.541 7.689 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -5.352 6.118 6.018 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.055 7.087 6.230 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.376 7.431 7.918 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.038 4.831 7.951 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.973 4.783 6.560 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.803 6.183 8.847 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -2.354 3.045 7.316 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.970 2.287 8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.028 5.199 9.857 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.339 3.500 9.541 1.00 0.00 H new ATOM 279 N LEU A 18 -4.699 8.188 4.102 1.00 0.00 N ATOM 280 CA LEU A 18 -3.884 8.633 2.977 1.00 0.00 C ATOM 281 C LEU A 18 -4.239 10.057 2.583 1.00 0.00 C ATOM 282 O LEU A 18 -3.376 10.866 2.246 1.00 0.00 O ATOM 283 CB LEU A 18 -4.096 7.706 1.788 1.00 0.00 C ATOM 284 CG LEU A 18 -3.235 6.455 1.798 1.00 0.00 C ATOM 285 CD1 LEU A 18 -1.765 6.827 1.850 1.00 0.00 C ATOM 286 CD2 LEU A 18 -3.594 5.571 2.977 1.00 0.00 C ATOM 0 H LEU A 18 -5.287 7.379 3.900 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.837 8.607 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.144 7.409 1.758 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.896 8.261 0.872 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.424 5.900 0.879 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.160 5.920 1.857 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.510 7.427 0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.567 7.402 2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.967 4.680 2.968 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.432 6.119 3.905 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.642 5.278 2.907 1.00 0.00 H new ATOM 298 N GLN A 19 -5.527 10.337 2.626 1.00 0.00 N ATOM 299 CA GLN A 19 -6.052 11.653 2.271 1.00 0.00 C ATOM 300 C GLN A 19 -5.719 12.697 3.335 1.00 0.00 C ATOM 301 O GLN A 19 -5.631 13.888 3.036 1.00 0.00 O ATOM 302 CB GLN A 19 -7.566 11.583 2.070 1.00 0.00 C ATOM 303 CG GLN A 19 -8.075 12.472 0.949 1.00 0.00 C ATOM 304 CD GLN A 19 -7.887 13.948 1.243 1.00 0.00 C ATOM 305 OE1 GLN A 19 -6.838 14.522 0.951 1.00 0.00 O ATOM 306 NE2 GLN A 19 -8.905 14.571 1.825 1.00 0.00 N ATOM 0 H GLN A 19 -6.242 9.665 2.906 1.00 0.00 H new ATOM 0 HA GLN A 19 -5.576 11.957 1.339 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.848 10.551 1.860 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.060 11.866 2.999 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -7.554 12.220 0.026 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.133 12.270 0.783 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.757 14.057 2.050 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -8.835 15.564 2.047 1.00 0.00 H new ATOM 315 N ALA A 20 -5.537 12.248 4.576 1.00 0.00 N ATOM 316 CA ALA A 20 -5.213 13.153 5.680 1.00 0.00 C ATOM 317 C ALA A 20 -4.119 14.139 5.277 1.00 0.00 C ATOM 318 O ALA A 20 -3.492 13.984 4.230 1.00 0.00 O ATOM 319 CB ALA A 20 -4.782 12.356 6.901 1.00 0.00 C ATOM 0 H ALA A 20 -5.608 11.266 4.843 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.108 13.724 5.927 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.543 13.039 7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.592 11.694 7.208 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.901 11.762 6.656 1.00 0.00 H new ATOM 325 N GLU A 21 -3.885 15.155 6.107 1.00 0.00 N ATOM 326 CA GLU A 21 -2.855 16.145 5.800 1.00 0.00 C ATOM 327 C GLU A 21 -1.498 15.733 6.347 1.00 0.00 C ATOM 328 O GLU A 21 -0.553 16.520 6.382 1.00 0.00 O ATOM 329 CB GLU A 21 -3.251 17.528 6.319 1.00 0.00 C ATOM 330 CG GLU A 21 -4.517 18.078 5.682 1.00 0.00 C ATOM 331 CD GLU A 21 -4.453 19.576 5.455 1.00 0.00 C ATOM 332 OE1 GLU A 21 -3.342 20.095 5.218 1.00 0.00 O ATOM 333 OE2 GLU A 21 -5.516 20.230 5.516 1.00 0.00 O ATOM 0 H GLU A 21 -4.385 15.313 6.982 1.00 0.00 H new ATOM 0 HA GLU A 21 -2.770 16.198 4.715 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.391 17.475 7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.431 18.223 6.137 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.687 17.577 4.729 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -5.370 17.847 6.320 1.00 0.00 H new ATOM 340 N GLY A 22 -1.417 14.480 6.725 1.00 0.00 N ATOM 341 CA GLY A 22 -0.180 13.914 7.225 1.00 0.00 C ATOM 342 C GLY A 22 0.576 13.178 6.135 1.00 0.00 C ATOM 343 O GLY A 22 1.714 12.749 6.331 1.00 0.00 O ATOM 0 H GLY A 22 -2.199 13.825 6.697 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.447 14.708 7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.397 13.229 8.045 1.00 0.00 H new ATOM 347 N ASN A 23 -0.079 13.017 4.986 1.00 0.00 N ATOM 348 CA ASN A 23 0.499 12.314 3.849 1.00 0.00 C ATOM 349 C ASN A 23 0.926 13.288 2.760 1.00 0.00 C ATOM 350 O ASN A 23 0.092 13.959 2.153 1.00 0.00 O ATOM 351 CB ASN A 23 -0.524 11.323 3.291 1.00 0.00 C ATOM 352 CG ASN A 23 -0.928 10.274 4.311 1.00 0.00 C ATOM 353 OD1 ASN A 23 -0.625 9.092 4.159 1.00 0.00 O ATOM 354 ND2 ASN A 23 -1.621 10.704 5.360 1.00 0.00 N ATOM 0 H ASN A 23 -1.022 13.370 4.821 1.00 0.00 H new ATOM 0 HA ASN A 23 1.386 11.778 4.187 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.410 11.866 2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.107 10.830 2.413 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -1.922 10.044 6.077 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.852 11.694 5.448 1.00 0.00 H new ATOM 361 N ALA A 24 2.229 13.358 2.514 1.00 0.00 N ATOM 362 CA ALA A 24 2.762 14.248 1.492 1.00 0.00 C ATOM 363 C ALA A 24 3.063 13.481 0.212 1.00 0.00 C ATOM 364 O ALA A 24 4.218 13.375 -0.203 1.00 0.00 O ATOM 365 CB ALA A 24 4.010 14.950 2.001 1.00 0.00 C ATOM 0 H ALA A 24 2.934 12.810 3.007 1.00 0.00 H new ATOM 0 HA ALA A 24 2.008 15.002 1.266 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.397 15.612 1.226 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.763 15.535 2.887 1.00 0.00 H new ATOM 0 HB3 ALA A 24 4.767 14.208 2.255 1.00 0.00 H new ATOM 371 N THR A 25 2.010 12.954 -0.403 1.00 0.00 N ATOM 372 CA THR A 25 2.124 12.186 -1.641 1.00 0.00 C ATOM 373 C THR A 25 3.100 11.023 -1.485 1.00 0.00 C ATOM 374 O THR A 25 4.164 11.160 -0.884 1.00 0.00 O ATOM 375 CB THR A 25 2.532 13.091 -2.804 1.00 0.00 C ATOM 376 OG1 THR A 25 3.728 13.792 -2.513 1.00 0.00 O ATOM 377 CG2 THR A 25 1.467 14.111 -3.148 1.00 0.00 C ATOM 0 H THR A 25 1.054 13.046 -0.059 1.00 0.00 H new ATOM 0 HA THR A 25 1.144 11.765 -1.864 1.00 0.00 H new ATOM 0 HB THR A 25 2.677 12.426 -3.656 1.00 0.00 H new ATOM 0 HG1 THR A 25 4.213 13.329 -1.798 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.808 14.727 -3.980 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.548 13.597 -3.430 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.277 14.745 -2.282 1.00 0.00 H new ATOM 385 N GLY A 26 2.710 9.864 -2.004 1.00 0.00 N ATOM 386 CA GLY A 26 3.540 8.680 -1.883 1.00 0.00 C ATOM 387 C GLY A 26 3.260 7.941 -0.600 1.00 0.00 C ATOM 388 O GLY A 26 3.543 6.750 -0.496 1.00 0.00 O ATOM 0 H GLY A 26 1.834 9.723 -2.507 1.00 0.00 H new ATOM 0 HA2 GLY A 26 3.361 8.020 -2.732 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.591 8.966 -1.918 1.00 0.00 H new ATOM 392 N ALA A 27 2.682 8.645 0.377 1.00 0.00 N ATOM 393 CA ALA A 27 2.340 8.038 1.653 1.00 0.00 C ATOM 394 C ALA A 27 1.676 6.695 1.408 1.00 0.00 C ATOM 395 O ALA A 27 0.666 6.620 0.720 1.00 0.00 O ATOM 396 CB ALA A 27 1.426 8.958 2.445 1.00 0.00 C ATOM 0 H ALA A 27 2.444 9.634 0.303 1.00 0.00 H new ATOM 0 HA ALA A 27 3.247 7.882 2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.178 8.491 3.398 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.932 9.906 2.626 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.512 9.137 1.880 1.00 0.00 H new ATOM 402 N PHE A 28 2.273 5.636 1.925 1.00 0.00 N ATOM 403 CA PHE A 28 1.760 4.300 1.714 1.00 0.00 C ATOM 404 C PHE A 28 1.578 3.555 3.028 1.00 0.00 C ATOM 405 O PHE A 28 2.131 3.929 4.061 1.00 0.00 O ATOM 406 CB PHE A 28 2.717 3.544 0.799 1.00 0.00 C ATOM 407 CG PHE A 28 4.161 3.584 1.241 1.00 0.00 C ATOM 408 CD1 PHE A 28 4.864 4.777 1.308 1.00 0.00 C ATOM 409 CD2 PHE A 28 4.813 2.418 1.589 1.00 0.00 C ATOM 410 CE1 PHE A 28 6.183 4.800 1.718 1.00 0.00 C ATOM 411 CE2 PHE A 28 6.132 2.433 1.997 1.00 0.00 C ATOM 412 CZ PHE A 28 6.817 3.626 2.063 1.00 0.00 C ATOM 0 H PHE A 28 3.117 5.679 2.496 1.00 0.00 H new ATOM 0 HA PHE A 28 0.777 4.371 1.248 1.00 0.00 H new ATOM 0 HB2 PHE A 28 2.397 2.504 0.737 1.00 0.00 H new ATOM 0 HB3 PHE A 28 2.645 3.960 -0.206 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.374 5.700 1.036 1.00 0.00 H new ATOM 0 HD2 PHE A 28 4.283 1.478 1.541 1.00 0.00 H new ATOM 0 HE1 PHE A 28 6.717 5.737 1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 28 6.626 1.510 2.264 1.00 0.00 H new ATOM 0 HZ PHE A 28 7.848 3.641 2.384 1.00 0.00 H new ATOM 422 N LEU A 29 0.790 2.501 2.960 1.00 0.00 N ATOM 423 CA LEU A 29 0.490 1.662 4.111 1.00 0.00 C ATOM 424 C LEU A 29 0.097 0.270 3.651 1.00 0.00 C ATOM 425 O LEU A 29 -0.579 0.110 2.643 1.00 0.00 O ATOM 426 CB LEU A 29 -0.642 2.259 4.945 1.00 0.00 C ATOM 427 CG LEU A 29 -1.942 2.649 4.201 1.00 0.00 C ATOM 428 CD1 LEU A 29 -1.971 2.195 2.746 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.140 2.070 4.924 1.00 0.00 C ATOM 0 H LEU A 29 0.335 2.197 2.099 1.00 0.00 H new ATOM 0 HA LEU A 29 1.386 1.605 4.729 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.901 1.542 5.724 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.260 3.149 5.445 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.977 3.738 4.197 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.911 2.503 2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.139 2.648 2.207 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.884 1.109 2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.052 2.347 4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.055 0.984 4.956 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.176 2.461 5.941 1.00 0.00 H new ATOM 441 N ILE A 30 0.499 -0.743 4.385 1.00 0.00 N ATOM 442 CA ILE A 30 0.156 -2.096 3.993 1.00 0.00 C ATOM 443 C ILE A 30 -0.776 -2.741 5.001 1.00 0.00 C ATOM 444 O ILE A 30 -0.442 -2.880 6.171 1.00 0.00 O ATOM 445 CB ILE A 30 1.407 -2.963 3.801 1.00 0.00 C ATOM 446 CG1 ILE A 30 2.487 -2.200 3.015 1.00 0.00 C ATOM 447 CG2 ILE A 30 1.026 -4.247 3.096 1.00 0.00 C ATOM 448 CD1 ILE A 30 2.438 -2.409 1.513 1.00 0.00 C ATOM 0 H ILE A 30 1.052 -0.663 5.239 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.361 -2.028 3.036 1.00 0.00 H new ATOM 0 HB ILE A 30 1.826 -3.207 4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.386 -1.135 3.224 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.468 -2.505 3.380 1.00 0.00 H new ATOM 0 HG21 ILE A 30 1.914 -4.864 2.959 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.296 -4.790 3.697 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.593 -4.013 2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.234 -1.834 1.040 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.571 -3.467 1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 30 1.473 -2.076 1.131 1.00 0.00 H new ATOM 460 N ARG A 31 -1.955 -3.125 4.536 1.00 0.00 N ATOM 461 CA ARG A 31 -2.951 -3.742 5.396 1.00 0.00 C ATOM 462 C ARG A 31 -3.276 -5.148 4.919 1.00 0.00 C ATOM 463 O ARG A 31 -2.585 -5.698 4.061 1.00 0.00 O ATOM 464 CB ARG A 31 -4.228 -2.896 5.409 1.00 0.00 C ATOM 465 CG ARG A 31 -5.014 -2.961 4.117 1.00 0.00 C ATOM 466 CD ARG A 31 -6.336 -2.216 4.226 1.00 0.00 C ATOM 467 NE ARG A 31 -6.596 -1.391 3.049 1.00 0.00 N ATOM 468 CZ ARG A 31 -7.807 -0.965 2.694 1.00 0.00 C ATOM 469 NH1 ARG A 31 -8.862 -1.238 3.448 1.00 0.00 N ATOM 470 NH2 ARG A 31 -7.959 -0.260 1.582 1.00 0.00 N ATOM 0 H ARG A 31 -2.245 -3.019 3.564 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.544 -3.800 6.405 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.865 -3.228 6.229 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.964 -1.858 5.611 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.421 -2.534 3.308 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.203 -4.003 3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -7.147 -2.933 4.353 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -6.325 -1.586 5.115 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.803 -1.125 2.464 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.750 -1.778 4.306 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.786 -0.909 3.170 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -7.149 -0.045 1.000 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -8.885 0.067 1.308 1.00 0.00 H new ATOM 484 N VAL A 32 -4.339 -5.719 5.465 1.00 0.00 N ATOM 485 CA VAL A 32 -4.755 -7.055 5.074 1.00 0.00 C ATOM 486 C VAL A 32 -5.868 -6.996 4.037 1.00 0.00 C ATOM 487 O VAL A 32 -6.446 -5.937 3.791 1.00 0.00 O ATOM 488 CB VAL A 32 -5.224 -7.887 6.282 1.00 0.00 C ATOM 489 CG1 VAL A 32 -4.091 -8.065 7.281 1.00 0.00 C ATOM 490 CG2 VAL A 32 -6.432 -7.242 6.944 1.00 0.00 C ATOM 0 H VAL A 32 -4.925 -5.281 6.175 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.882 -7.542 4.640 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.521 -8.873 5.924 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.442 -8.655 8.127 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.259 -8.579 6.800 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.759 -7.088 7.633 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.747 -7.846 7.795 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.168 -6.242 7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.248 -7.175 6.225 1.00 0.00 H new ATOM 500 N SER A 33 -6.155 -8.137 3.428 1.00 0.00 N ATOM 501 CA SER A 33 -7.189 -8.223 2.409 1.00 0.00 C ATOM 502 C SER A 33 -8.567 -7.905 2.985 1.00 0.00 C ATOM 503 O SER A 33 -9.359 -8.808 3.252 1.00 0.00 O ATOM 504 CB SER A 33 -7.197 -9.621 1.788 1.00 0.00 C ATOM 505 OG SER A 33 -6.996 -10.618 2.774 1.00 0.00 O ATOM 0 H SER A 33 -5.683 -9.020 3.624 1.00 0.00 H new ATOM 0 HA SER A 33 -6.964 -7.484 1.640 1.00 0.00 H new ATOM 0 HB2 SER A 33 -8.147 -9.792 1.282 1.00 0.00 H new ATOM 0 HB3 SER A 33 -6.416 -9.691 1.031 1.00 0.00 H new ATOM 0 HG SER A 33 -7.488 -11.428 2.525 1.00 0.00 H new ATOM 511 N GLU A 34 -8.855 -6.618 3.161 1.00 0.00 N ATOM 512 CA GLU A 34 -10.149 -6.197 3.691 1.00 0.00 C ATOM 513 C GLU A 34 -11.275 -6.679 2.784 1.00 0.00 C ATOM 514 O GLU A 34 -12.421 -6.823 3.211 1.00 0.00 O ATOM 515 CB GLU A 34 -10.201 -4.674 3.837 1.00 0.00 C ATOM 516 CG GLU A 34 -10.015 -4.196 5.268 1.00 0.00 C ATOM 517 CD GLU A 34 -11.300 -4.242 6.071 1.00 0.00 C ATOM 518 OE1 GLU A 34 -12.273 -3.567 5.672 1.00 0.00 O ATOM 519 OE2 GLU A 34 -11.332 -4.951 7.097 1.00 0.00 O ATOM 0 H GLU A 34 -8.215 -5.853 2.946 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.279 -6.643 4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -9.427 -4.230 3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -11.159 -4.314 3.463 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.263 -4.814 5.758 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.633 -3.175 5.259 1.00 0.00 H new ATOM 526 N LYS A 35 -10.924 -6.943 1.535 1.00 0.00 N ATOM 527 CA LYS A 35 -11.875 -7.433 0.546 1.00 0.00 C ATOM 528 C LYS A 35 -11.390 -8.764 -0.031 1.00 0.00 C ATOM 529 O LYS A 35 -12.040 -9.793 0.154 1.00 0.00 O ATOM 530 CB LYS A 35 -12.100 -6.402 -0.572 1.00 0.00 C ATOM 531 CG LYS A 35 -11.971 -4.952 -0.119 1.00 0.00 C ATOM 532 CD LYS A 35 -11.349 -4.083 -1.200 1.00 0.00 C ATOM 533 CE LYS A 35 -10.532 -2.950 -0.601 1.00 0.00 C ATOM 534 NZ LYS A 35 -9.279 -2.703 -1.365 1.00 0.00 N ATOM 0 H LYS A 35 -9.976 -6.825 1.178 1.00 0.00 H new ATOM 0 HA LYS A 35 -12.833 -7.592 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.382 -6.587 -1.371 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -13.093 -6.552 -0.995 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -12.955 -4.562 0.141 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -11.361 -4.905 0.783 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.712 -4.695 -1.838 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.134 -3.671 -1.834 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.132 -2.040 -0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.285 -3.188 0.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.567 -2.278 -0.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.917 -3.604 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.476 -2.055 -2.154 1.00 0.00 H new ATOM 548 N PRO A 36 -10.231 -8.776 -0.728 1.00 0.00 N ATOM 549 CA PRO A 36 -9.672 -10.002 -1.303 1.00 0.00 C ATOM 550 C PRO A 36 -9.713 -11.169 -0.316 1.00 0.00 C ATOM 551 O PRO A 36 -9.996 -10.980 0.867 1.00 0.00 O ATOM 552 CB PRO A 36 -8.215 -9.629 -1.638 1.00 0.00 C ATOM 553 CG PRO A 36 -8.009 -8.238 -1.125 1.00 0.00 C ATOM 554 CD PRO A 36 -9.369 -7.620 -1.006 1.00 0.00 C ATOM 0 HA PRO A 36 -10.240 -10.336 -2.171 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.518 -10.324 -1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.038 -9.677 -2.713 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -7.504 -8.252 -0.159 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -7.380 -7.663 -1.805 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -9.409 -6.884 -0.203 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -9.662 -7.109 -1.923 1.00 0.00 H new ATOM 562 N SER A 37 -9.437 -12.375 -0.807 1.00 0.00 N ATOM 563 CA SER A 37 -9.451 -13.566 0.040 1.00 0.00 C ATOM 564 C SER A 37 -8.297 -13.547 1.044 1.00 0.00 C ATOM 565 O SER A 37 -8.440 -13.032 2.152 1.00 0.00 O ATOM 566 CB SER A 37 -9.391 -14.830 -0.823 1.00 0.00 C ATOM 567 OG SER A 37 -10.687 -15.350 -1.057 1.00 0.00 O ATOM 0 H SER A 37 -9.202 -12.554 -1.783 1.00 0.00 H new ATOM 0 HA SER A 37 -10.383 -13.568 0.605 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.910 -14.602 -1.774 1.00 0.00 H new ATOM 0 HB3 SER A 37 -8.778 -15.583 -0.328 1.00 0.00 H new ATOM 0 HG SER A 37 -10.621 -16.155 -1.612 1.00 0.00 H new ATOM 573 N ALA A 38 -7.153 -14.108 0.653 1.00 0.00 N ATOM 574 CA ALA A 38 -5.983 -14.148 1.523 1.00 0.00 C ATOM 575 C ALA A 38 -4.852 -13.312 0.941 1.00 0.00 C ATOM 576 O ALA A 38 -3.780 -13.828 0.623 1.00 0.00 O ATOM 577 CB ALA A 38 -5.527 -15.584 1.734 1.00 0.00 C ATOM 0 H ALA A 38 -7.014 -14.540 -0.260 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.260 -13.726 2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.653 -15.596 2.385 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.331 -16.157 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.269 -16.029 0.773 1.00 0.00 H new ATOM 583 N ASP A 39 -5.103 -12.017 0.793 1.00 0.00 N ATOM 584 CA ASP A 39 -4.112 -11.106 0.236 1.00 0.00 C ATOM 585 C ASP A 39 -3.906 -9.896 1.143 1.00 0.00 C ATOM 586 O ASP A 39 -4.456 -9.829 2.242 1.00 0.00 O ATOM 587 CB ASP A 39 -4.554 -10.646 -1.155 1.00 0.00 C ATOM 588 CG ASP A 39 -5.019 -11.798 -2.025 1.00 0.00 C ATOM 589 OD1 ASP A 39 -4.359 -12.858 -2.009 1.00 0.00 O ATOM 590 OD2 ASP A 39 -6.043 -11.640 -2.722 1.00 0.00 O ATOM 0 H ASP A 39 -5.985 -11.574 1.051 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.164 -11.638 0.159 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.362 -9.921 -1.055 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.726 -10.135 -1.646 1.00 0.00 H new ATOM 595 N TYR A 40 -3.131 -8.930 0.659 1.00 0.00 N ATOM 596 CA TYR A 40 -2.863 -7.704 1.398 1.00 0.00 C ATOM 597 C TYR A 40 -3.162 -6.551 0.488 1.00 0.00 C ATOM 598 O TYR A 40 -2.978 -6.658 -0.709 1.00 0.00 O ATOM 599 CB TYR A 40 -1.402 -7.646 1.880 1.00 0.00 C ATOM 600 CG TYR A 40 -1.227 -8.081 3.321 1.00 0.00 C ATOM 601 CD1 TYR A 40 -1.861 -9.217 3.806 1.00 0.00 C ATOM 602 CD2 TYR A 40 -0.429 -7.354 4.194 1.00 0.00 C ATOM 603 CE1 TYR A 40 -1.705 -9.617 5.120 1.00 0.00 C ATOM 604 CE2 TYR A 40 -0.267 -7.748 5.509 1.00 0.00 C ATOM 605 CZ TYR A 40 -0.906 -8.879 5.967 1.00 0.00 C ATOM 606 OH TYR A 40 -0.747 -9.274 7.276 1.00 0.00 O ATOM 0 H TYR A 40 -2.674 -8.976 -0.252 1.00 0.00 H new ATOM 0 HA TYR A 40 -3.491 -7.665 2.288 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.790 -8.281 1.239 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.030 -6.628 1.768 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -2.487 -9.798 3.145 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.073 -6.466 3.840 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.206 -10.503 5.481 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.358 -7.171 6.175 1.00 0.00 H new ATOM 0 HH TYR A 40 -0.152 -8.646 7.737 1.00 0.00 H new ATOM 616 N VAL A 41 -3.644 -5.461 1.039 1.00 0.00 N ATOM 617 CA VAL A 41 -3.975 -4.315 0.211 1.00 0.00 C ATOM 618 C VAL A 41 -3.171 -3.101 0.606 1.00 0.00 C ATOM 619 O VAL A 41 -3.038 -2.772 1.783 1.00 0.00 O ATOM 620 CB VAL A 41 -5.477 -3.991 0.238 1.00 0.00 C ATOM 621 CG1 VAL A 41 -6.198 -4.833 -0.800 1.00 0.00 C ATOM 622 CG2 VAL A 41 -6.061 -4.232 1.622 1.00 0.00 C ATOM 0 H VAL A 41 -3.815 -5.340 2.037 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.714 -4.587 -0.812 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.613 -2.936 -0.000 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -7.263 -4.602 -0.780 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.798 -4.612 -1.789 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.051 -5.890 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.125 -3.995 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -5.924 -5.278 1.898 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.553 -3.596 2.347 1.00 0.00 H new ATOM 632 N LEU A 42 -2.616 -2.452 -0.398 1.00 0.00 N ATOM 633 CA LEU A 42 -1.800 -1.284 -0.186 1.00 0.00 C ATOM 634 C LEU A 42 -2.520 -0.040 -0.647 1.00 0.00 C ATOM 635 O LEU A 42 -3.281 -0.074 -1.605 1.00 0.00 O ATOM 636 CB LEU A 42 -0.496 -1.424 -0.953 1.00 0.00 C ATOM 637 CG LEU A 42 0.440 -0.233 -0.839 1.00 0.00 C ATOM 638 CD1 LEU A 42 0.823 -0.011 0.609 1.00 0.00 C ATOM 639 CD2 LEU A 42 1.669 -0.464 -1.690 1.00 0.00 C ATOM 0 H LEU A 42 -2.720 -2.721 -1.376 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.594 -1.196 0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 42 0.025 -2.313 -0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.726 -1.589 -2.006 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.068 0.661 -1.200 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.494 0.845 0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.074 0.181 1.197 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.325 -0.899 0.993 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.337 0.393 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.185 -1.361 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.372 -0.590 -2.731 1.00 0.00 H new ATOM 651 N SER A 43 -2.267 1.063 0.025 1.00 0.00 N ATOM 652 CA SER A 43 -2.896 2.315 -0.352 1.00 0.00 C ATOM 653 C SER A 43 -1.940 3.475 -0.254 1.00 0.00 C ATOM 654 O SER A 43 -1.121 3.563 0.657 1.00 0.00 O ATOM 655 CB SER A 43 -4.165 2.559 0.447 1.00 0.00 C ATOM 656 OG SER A 43 -4.117 3.781 1.159 1.00 0.00 O ATOM 0 H SER A 43 -1.638 1.121 0.826 1.00 0.00 H new ATOM 0 HA SER A 43 -3.183 2.231 -1.400 1.00 0.00 H new ATOM 0 HB2 SER A 43 -5.022 2.565 -0.227 1.00 0.00 H new ATOM 0 HB3 SER A 43 -4.316 1.737 1.147 1.00 0.00 H new ATOM 0 HG SER A 43 -5.025 4.045 1.418 1.00 0.00 H new ATOM 662 N VAL A 44 -2.040 4.355 -1.229 1.00 0.00 N ATOM 663 CA VAL A 44 -1.172 5.514 -1.285 1.00 0.00 C ATOM 664 C VAL A 44 -1.935 6.773 -1.657 1.00 0.00 C ATOM 665 O VAL A 44 -2.817 6.747 -2.516 1.00 0.00 O ATOM 666 CB VAL A 44 -0.026 5.297 -2.296 1.00 0.00 C ATOM 667 CG1 VAL A 44 -0.508 5.526 -3.721 1.00 0.00 C ATOM 668 CG2 VAL A 44 1.151 6.203 -1.970 1.00 0.00 C ATOM 0 H VAL A 44 -2.713 4.290 -1.993 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.756 5.643 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 44 0.307 4.262 -2.218 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.318 5.367 -4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.313 4.828 -3.949 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -0.874 6.548 -3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.950 6.036 -2.693 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.832 7.244 -2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.516 5.979 -0.968 1.00 0.00 H new ATOM 678 N ARG A 45 -1.557 7.885 -1.040 1.00 0.00 N ATOM 679 CA ARG A 45 -2.178 9.159 -1.349 1.00 0.00 C ATOM 680 C ARG A 45 -1.765 9.575 -2.749 1.00 0.00 C ATOM 681 O ARG A 45 -2.331 10.497 -3.336 1.00 0.00 O ATOM 682 CB ARG A 45 -1.761 10.233 -0.341 1.00 0.00 C ATOM 683 CG ARG A 45 -2.531 11.536 -0.490 1.00 0.00 C ATOM 684 CD ARG A 45 -1.800 12.697 0.166 1.00 0.00 C ATOM 685 NE ARG A 45 -2.716 13.765 0.564 1.00 0.00 N ATOM 686 CZ ARG A 45 -2.365 15.044 0.681 1.00 0.00 C ATOM 687 NH1 ARG A 45 -1.118 15.427 0.432 1.00 0.00 N ATOM 688 NH2 ARG A 45 -3.266 15.945 1.046 1.00 0.00 N ATOM 0 H ARG A 45 -0.828 7.927 -0.328 1.00 0.00 H new ATOM 0 HA ARG A 45 -3.261 9.051 -1.292 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.905 9.848 0.669 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.696 10.434 -0.456 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.681 11.751 -1.548 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.519 11.428 -0.043 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.260 12.337 1.042 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -1.057 13.095 -0.525 1.00 0.00 H new ATOM 0 HE ARG A 45 -3.684 13.515 0.765 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.420 14.739 0.149 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.858 16.409 0.524 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -4.226 15.658 1.237 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.999 16.925 1.136 1.00 0.00 H new ATOM 702 N ASP A 46 -0.761 8.876 -3.276 1.00 0.00 N ATOM 703 CA ASP A 46 -0.249 9.161 -4.615 1.00 0.00 C ATOM 704 C ASP A 46 0.084 10.645 -4.758 1.00 0.00 C ATOM 705 O ASP A 46 1.180 11.079 -4.410 1.00 0.00 O ATOM 706 CB ASP A 46 -1.267 8.706 -5.677 1.00 0.00 C ATOM 707 CG ASP A 46 -0.972 9.241 -7.071 1.00 0.00 C ATOM 708 OD1 ASP A 46 -0.205 8.591 -7.808 1.00 0.00 O ATOM 709 OD2 ASP A 46 -1.520 10.304 -7.426 1.00 0.00 O ATOM 0 H ASP A 46 -0.287 8.110 -2.797 1.00 0.00 H new ATOM 0 HA ASP A 46 0.674 8.602 -4.769 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.282 7.617 -5.711 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.263 9.030 -5.376 1.00 0.00 H new ATOM 714 N THR A 47 -0.866 11.412 -5.264 1.00 0.00 N ATOM 715 CA THR A 47 -0.677 12.848 -5.450 1.00 0.00 C ATOM 716 C THR A 47 -1.822 13.652 -4.832 1.00 0.00 C ATOM 717 O THR A 47 -1.779 14.880 -4.803 1.00 0.00 O ATOM 718 CB THR A 47 -0.547 13.180 -6.939 1.00 0.00 C ATOM 719 OG1 THR A 47 -0.129 14.522 -7.117 1.00 0.00 O ATOM 720 CG2 THR A 47 -1.835 12.995 -7.715 1.00 0.00 C ATOM 0 H THR A 47 -1.780 11.067 -5.556 1.00 0.00 H new ATOM 0 HA THR A 47 0.244 13.128 -4.938 1.00 0.00 H new ATOM 0 HB THR A 47 0.192 12.478 -7.325 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.543 15.087 -6.431 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.669 13.248 -8.762 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.159 11.957 -7.640 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.605 13.646 -7.302 1.00 0.00 H new ATOM 728 N GLN A 48 -2.842 12.954 -4.339 1.00 0.00 N ATOM 729 CA GLN A 48 -3.991 13.608 -3.725 1.00 0.00 C ATOM 730 C GLN A 48 -4.935 12.578 -3.115 1.00 0.00 C ATOM 731 O GLN A 48 -4.795 12.202 -1.952 1.00 0.00 O ATOM 732 CB GLN A 48 -4.724 14.475 -4.753 1.00 0.00 C ATOM 733 CG GLN A 48 -4.286 15.931 -4.742 1.00 0.00 C ATOM 734 CD GLN A 48 -5.431 16.888 -5.005 1.00 0.00 C ATOM 735 OE1 GLN A 48 -5.381 17.697 -5.932 1.00 0.00 O ATOM 736 NE2 GLN A 48 -6.474 16.804 -4.187 1.00 0.00 N ATOM 0 H GLN A 48 -2.895 11.935 -4.353 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.633 14.254 -2.924 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.559 14.062 -5.748 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.796 14.425 -4.560 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -3.838 16.164 -3.776 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -3.513 16.079 -5.496 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.475 16.119 -3.431 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.274 17.424 -4.315 1.00 0.00 H new ATOM 745 N ALA A 49 -5.887 12.123 -3.910 1.00 0.00 N ATOM 746 CA ALA A 49 -6.852 11.129 -3.458 1.00 0.00 C ATOM 747 C ALA A 49 -6.142 9.846 -3.044 1.00 0.00 C ATOM 748 O ALA A 49 -4.938 9.701 -3.255 1.00 0.00 O ATOM 749 CB ALA A 49 -7.871 10.843 -4.551 1.00 0.00 C ATOM 0 H ALA A 49 -6.015 12.426 -4.876 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.378 11.528 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.584 10.099 -4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.400 11.762 -4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.359 10.464 -5.435 1.00 0.00 H new ATOM 755 N VAL A 50 -6.884 8.917 -2.450 1.00 0.00 N ATOM 756 CA VAL A 50 -6.299 7.657 -2.014 1.00 0.00 C ATOM 757 C VAL A 50 -6.429 6.581 -3.080 1.00 0.00 C ATOM 758 O VAL A 50 -7.526 6.282 -3.552 1.00 0.00 O ATOM 759 CB VAL A 50 -6.935 7.144 -0.709 1.00 0.00 C ATOM 760 CG1 VAL A 50 -6.240 5.869 -0.245 1.00 0.00 C ATOM 761 CG2 VAL A 50 -6.868 8.214 0.366 1.00 0.00 C ATOM 0 H VAL A 50 -7.882 9.012 -2.261 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.244 7.863 -1.835 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.983 6.913 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.701 5.519 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -6.337 5.101 -1.013 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.184 6.074 -0.069 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.321 7.837 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.827 8.474 0.556 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.408 9.100 0.032 1.00 0.00 H new ATOM 771 N ARG A 51 -5.297 5.995 -3.438 1.00 0.00 N ATOM 772 CA ARG A 51 -5.262 4.935 -4.431 1.00 0.00 C ATOM 773 C ARG A 51 -4.936 3.611 -3.756 1.00 0.00 C ATOM 774 O ARG A 51 -3.783 3.338 -3.427 1.00 0.00 O ATOM 775 CB ARG A 51 -4.224 5.253 -5.506 1.00 0.00 C ATOM 776 CG ARG A 51 -4.431 6.607 -6.165 1.00 0.00 C ATOM 777 CD ARG A 51 -3.825 6.648 -7.558 1.00 0.00 C ATOM 778 NE ARG A 51 -4.661 7.396 -8.494 1.00 0.00 N ATOM 779 CZ ARG A 51 -4.903 8.703 -8.393 1.00 0.00 C ATOM 780 NH1 ARG A 51 -4.368 9.409 -7.404 1.00 0.00 N ATOM 781 NH2 ARG A 51 -5.679 9.303 -9.284 1.00 0.00 N ATOM 0 H ARG A 51 -4.385 6.239 -3.052 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.240 4.859 -4.907 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.230 5.223 -5.060 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.255 4.477 -6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -5.497 6.824 -6.225 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.981 7.385 -5.549 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.836 7.104 -7.510 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.690 5.631 -7.925 1.00 0.00 H new ATOM 0 HE ARG A 51 -5.085 6.888 -9.271 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.769 8.952 -6.717 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.556 10.409 -7.331 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -6.091 8.765 -10.046 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.865 10.303 -9.207 1.00 0.00 H new ATOM 795 N HIS A 52 -5.961 2.798 -3.533 1.00 0.00 N ATOM 796 CA HIS A 52 -5.779 1.511 -2.875 1.00 0.00 C ATOM 797 C HIS A 52 -5.370 0.446 -3.881 1.00 0.00 C ATOM 798 O HIS A 52 -5.495 0.644 -5.089 1.00 0.00 O ATOM 799 CB HIS A 52 -7.068 1.107 -2.161 1.00 0.00 C ATOM 800 CG HIS A 52 -7.479 2.122 -1.152 1.00 0.00 C ATOM 801 ND1 HIS A 52 -6.936 2.167 0.105 1.00 0.00 N ATOM 802 CD2 HIS A 52 -8.302 3.191 -1.247 1.00 0.00 C ATOM 803 CE1 HIS A 52 -7.388 3.224 0.740 1.00 0.00 C ATOM 804 NE2 HIS A 52 -8.225 3.867 -0.055 1.00 0.00 N ATOM 0 H HIS A 52 -6.924 3.006 -3.797 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.981 1.604 -2.138 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -7.865 0.978 -2.893 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -6.926 0.143 -1.671 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -6.282 1.485 0.488 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.906 3.462 -2.100 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -7.120 3.518 1.744 1.00 0.00 H new ATOM 813 N TYR A 53 -4.853 -0.671 -3.384 1.00 0.00 N ATOM 814 CA TYR A 53 -4.399 -1.738 -4.258 1.00 0.00 C ATOM 815 C TYR A 53 -4.526 -3.108 -3.606 1.00 0.00 C ATOM 816 O TYR A 53 -4.448 -3.243 -2.385 1.00 0.00 O ATOM 817 CB TYR A 53 -2.937 -1.502 -4.636 1.00 0.00 C ATOM 818 CG TYR A 53 -2.592 -0.051 -4.884 1.00 0.00 C ATOM 819 CD1 TYR A 53 -2.960 0.571 -6.067 1.00 0.00 C ATOM 820 CD2 TYR A 53 -1.885 0.690 -3.944 1.00 0.00 C ATOM 821 CE1 TYR A 53 -2.638 1.890 -6.310 1.00 0.00 C ATOM 822 CE2 TYR A 53 -1.555 2.010 -4.181 1.00 0.00 C ATOM 823 CZ TYR A 53 -1.934 2.606 -5.366 1.00 0.00 C ATOM 824 OH TYR A 53 -1.603 3.919 -5.607 1.00 0.00 O ATOM 0 H TYR A 53 -4.739 -0.858 -2.388 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.034 -1.726 -5.144 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.300 -1.885 -3.839 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.707 -2.078 -5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.508 0.013 -6.811 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.589 0.226 -3.014 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -2.936 2.360 -7.236 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.003 2.573 -3.443 1.00 0.00 H new ATOM 0 HH TYR A 53 -0.628 4.007 -5.656 1.00 0.00 H new ATOM 834 N LYS A 54 -4.691 -4.123 -4.444 1.00 0.00 N ATOM 835 CA LYS A 54 -4.793 -5.499 -3.988 1.00 0.00 C ATOM 836 C LYS A 54 -3.461 -6.202 -4.187 1.00 0.00 C ATOM 837 O LYS A 54 -3.067 -6.501 -5.312 1.00 0.00 O ATOM 838 CB LYS A 54 -5.887 -6.249 -4.750 1.00 0.00 C ATOM 839 CG LYS A 54 -6.332 -7.532 -4.065 1.00 0.00 C ATOM 840 CD LYS A 54 -6.102 -8.747 -4.951 1.00 0.00 C ATOM 841 CE LYS A 54 -7.010 -8.726 -6.171 1.00 0.00 C ATOM 842 NZ LYS A 54 -6.279 -8.321 -7.404 1.00 0.00 N ATOM 0 H LYS A 54 -4.758 -4.014 -5.456 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.053 -5.492 -2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.749 -5.593 -4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.524 -6.487 -5.750 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.786 -7.654 -3.130 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -7.389 -7.461 -3.810 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.061 -8.773 -5.271 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.282 -9.656 -4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -7.445 -9.715 -6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.836 -8.037 -5.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.384 -7.297 -7.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -5.271 -8.555 -7.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.671 -8.829 -8.223 1.00 0.00 H new ATOM 856 N ILE A 55 -2.786 -6.477 -3.086 1.00 0.00 N ATOM 857 CA ILE A 55 -1.508 -7.158 -3.110 1.00 0.00 C ATOM 858 C ILE A 55 -1.761 -8.647 -2.929 1.00 0.00 C ATOM 859 O ILE A 55 -1.953 -9.120 -1.810 1.00 0.00 O ATOM 860 CB ILE A 55 -0.568 -6.654 -1.988 1.00 0.00 C ATOM 861 CG1 ILE A 55 -0.883 -5.210 -1.556 1.00 0.00 C ATOM 862 CG2 ILE A 55 0.882 -6.747 -2.417 1.00 0.00 C ATOM 863 CD1 ILE A 55 -0.544 -4.947 -0.107 1.00 0.00 C ATOM 0 H ILE A 55 -3.110 -6.234 -2.150 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.019 -6.955 -4.063 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.739 -7.304 -1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.326 -4.517 -2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.942 -5.009 -1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.523 -6.387 -1.612 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.129 -7.785 -2.642 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.038 -6.136 -3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.787 -3.914 0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -1.121 -5.619 0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.520 -5.119 0.055 1.00 0.00 H new ATOM 875 N TRP A 56 -1.807 -9.372 -4.039 1.00 0.00 N ATOM 876 CA TRP A 56 -2.099 -10.799 -4.007 1.00 0.00 C ATOM 877 C TRP A 56 -0.857 -11.634 -3.725 1.00 0.00 C ATOM 878 O TRP A 56 0.212 -11.401 -4.288 1.00 0.00 O ATOM 879 CB TRP A 56 -2.730 -11.219 -5.337 1.00 0.00 C ATOM 880 CG TRP A 56 -3.683 -12.371 -5.220 1.00 0.00 C ATOM 881 CD1 TRP A 56 -3.489 -13.534 -4.531 1.00 0.00 C ATOM 882 CD2 TRP A 56 -4.982 -12.473 -5.816 1.00 0.00 C ATOM 883 NE1 TRP A 56 -4.587 -14.350 -4.661 1.00 0.00 N ATOM 884 CE2 TRP A 56 -5.517 -13.720 -5.445 1.00 0.00 C ATOM 885 CE3 TRP A 56 -5.746 -11.628 -6.628 1.00 0.00 C ATOM 886 CZ2 TRP A 56 -6.778 -14.143 -5.857 1.00 0.00 C ATOM 887 CZ3 TRP A 56 -6.998 -12.049 -7.036 1.00 0.00 C ATOM 888 CH2 TRP A 56 -7.503 -13.296 -6.650 1.00 0.00 C ATOM 0 H TRP A 56 -1.646 -8.995 -4.973 1.00 0.00 H new ATOM 0 HA TRP A 56 -2.798 -10.980 -3.190 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -3.257 -10.366 -5.763 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -1.937 -11.485 -6.036 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.601 -13.777 -3.966 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -4.692 -15.274 -4.242 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -5.365 -10.664 -6.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.170 -15.105 -5.561 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -7.596 -11.405 -7.663 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -8.485 -13.596 -6.985 1.00 0.00 H new ATOM 899 N ARG A 57 -1.021 -12.613 -2.842 1.00 0.00 N ATOM 900 CA ARG A 57 0.061 -13.508 -2.459 1.00 0.00 C ATOM 901 C ARG A 57 0.177 -14.664 -3.451 1.00 0.00 C ATOM 902 O ARG A 57 -0.811 -15.072 -4.061 1.00 0.00 O ATOM 903 CB ARG A 57 -0.187 -14.043 -1.045 1.00 0.00 C ATOM 904 CG ARG A 57 0.792 -15.119 -0.605 1.00 0.00 C ATOM 905 CD ARG A 57 0.360 -15.748 0.710 1.00 0.00 C ATOM 906 NE ARG A 57 -0.561 -16.865 0.508 1.00 0.00 N ATOM 907 CZ ARG A 57 -1.374 -17.336 1.451 1.00 0.00 C ATOM 908 NH1 ARG A 57 -1.380 -16.795 2.664 1.00 0.00 N ATOM 909 NH2 ARG A 57 -2.184 -18.351 1.182 1.00 0.00 N ATOM 0 H ARG A 57 -1.906 -12.807 -2.373 1.00 0.00 H new ATOM 0 HA ARG A 57 0.999 -12.953 -2.471 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -0.137 -13.213 -0.341 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.199 -14.445 -0.993 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.861 -15.888 -1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.787 -14.687 -0.496 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.240 -16.097 1.251 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.118 -14.992 1.333 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.582 -17.310 -0.410 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -0.759 -16.014 2.877 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -2.005 -17.160 3.382 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.184 -18.771 0.252 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.807 -18.712 1.905 1.00 0.00 H new ATOM 923 N ARG A 58 1.389 -15.181 -3.611 1.00 0.00 N ATOM 924 CA ARG A 58 1.634 -16.282 -4.534 1.00 0.00 C ATOM 925 C ARG A 58 1.255 -17.622 -3.912 1.00 0.00 C ATOM 926 O ARG A 58 0.105 -18.054 -3.996 1.00 0.00 O ATOM 927 CB ARG A 58 3.100 -16.280 -4.976 1.00 0.00 C ATOM 928 CG ARG A 58 3.338 -15.554 -6.290 1.00 0.00 C ATOM 929 CD ARG A 58 4.687 -15.917 -6.892 1.00 0.00 C ATOM 930 NE ARG A 58 4.812 -17.353 -7.131 1.00 0.00 N ATOM 931 CZ ARG A 58 4.303 -17.975 -8.193 1.00 0.00 C ATOM 932 NH1 ARG A 58 3.626 -17.294 -9.109 1.00 0.00 N ATOM 933 NH2 ARG A 58 4.470 -19.283 -8.338 1.00 0.00 N ATOM 0 H ARG A 58 2.218 -14.855 -3.113 1.00 0.00 H new ATOM 0 HA ARG A 58 1.003 -16.140 -5.412 1.00 0.00 H new ATOM 0 HB2 ARG A 58 3.705 -15.814 -4.198 1.00 0.00 H new ATOM 0 HB3 ARG A 58 3.443 -17.310 -5.072 1.00 0.00 H new ATOM 0 HG2 ARG A 58 2.545 -15.805 -6.994 1.00 0.00 H new ATOM 0 HG3 ARG A 58 3.290 -14.478 -6.126 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.821 -15.380 -7.831 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.482 -15.591 -6.222 1.00 0.00 H new ATOM 0 HE ARG A 58 5.319 -17.912 -6.444 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.493 -16.288 -9.002 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.239 -17.776 -9.920 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.988 -19.812 -7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.080 -19.760 -9.151 1.00 0.00 H new ATOM 947 N ALA A 59 2.225 -18.272 -3.293 1.00 0.00 N ATOM 948 CA ALA A 59 1.999 -19.565 -2.659 1.00 0.00 C ATOM 949 C ALA A 59 2.517 -19.576 -1.225 1.00 0.00 C ATOM 950 O ALA A 59 2.869 -20.628 -0.691 1.00 0.00 O ATOM 951 CB ALA A 59 2.659 -20.671 -3.469 1.00 0.00 C ATOM 0 H ALA A 59 3.181 -17.926 -3.214 1.00 0.00 H new ATOM 0 HA ALA A 59 0.924 -19.742 -2.628 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.483 -21.631 -2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.236 -20.688 -4.474 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.732 -20.487 -3.530 1.00 0.00 H new ATOM 957 N GLY A 60 2.559 -18.401 -0.603 1.00 0.00 N ATOM 958 CA GLY A 60 3.031 -18.305 0.765 1.00 0.00 C ATOM 959 C GLY A 60 4.375 -17.610 0.872 1.00 0.00 C ATOM 960 O GLY A 60 5.184 -17.947 1.736 1.00 0.00 O ATOM 0 H GLY A 60 2.275 -17.516 -1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.297 -17.762 1.361 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.109 -19.306 1.189 1.00 0.00 H new ATOM 964 N GLY A 61 4.614 -16.636 -0.001 1.00 0.00 N ATOM 965 CA GLY A 61 5.871 -15.914 0.031 1.00 0.00 C ATOM 966 C GLY A 61 6.139 -15.134 -1.243 1.00 0.00 C ATOM 967 O GLY A 61 7.199 -15.276 -1.852 1.00 0.00 O ATOM 0 H GLY A 61 3.963 -16.336 -0.726 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.868 -15.227 0.877 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.685 -16.620 0.197 1.00 0.00 H new ATOM 971 N ARG A 62 5.182 -14.301 -1.644 1.00 0.00 N ATOM 972 CA ARG A 62 5.332 -13.491 -2.851 1.00 0.00 C ATOM 973 C ARG A 62 4.073 -12.676 -3.127 1.00 0.00 C ATOM 974 O ARG A 62 3.001 -13.227 -3.367 1.00 0.00 O ATOM 975 CB ARG A 62 5.661 -14.374 -4.058 1.00 0.00 C ATOM 976 CG ARG A 62 6.906 -13.933 -4.810 1.00 0.00 C ATOM 977 CD ARG A 62 7.900 -15.074 -4.966 1.00 0.00 C ATOM 978 NE ARG A 62 8.547 -15.060 -6.275 1.00 0.00 N ATOM 979 CZ ARG A 62 9.704 -15.663 -6.537 1.00 0.00 C ATOM 980 NH1 ARG A 62 10.341 -16.334 -5.586 1.00 0.00 N ATOM 981 NH2 ARG A 62 10.225 -15.597 -7.755 1.00 0.00 N ATOM 0 H ARG A 62 4.298 -14.169 -1.153 1.00 0.00 H new ATOM 0 HA ARG A 62 6.158 -12.800 -2.685 1.00 0.00 H new ATOM 0 HB2 ARG A 62 5.795 -15.402 -3.721 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.813 -14.371 -4.742 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.624 -13.559 -5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.379 -13.107 -4.279 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.658 -15.004 -4.186 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.386 -16.025 -4.826 1.00 0.00 H new ATOM 0 HE ARG A 62 8.085 -14.558 -7.033 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.944 -16.390 -4.648 1.00 0.00 H new ATOM 0 HH12 ARG A 62 11.227 -16.794 -5.793 1.00 0.00 H new ATOM 0 HH21 ARG A 62 9.739 -15.084 -8.491 1.00 0.00 H new ATOM 0 HH22 ARG A 62 11.112 -16.059 -7.956 1.00 0.00 H new ATOM 995 N LEU A 63 4.220 -11.356 -3.099 1.00 0.00 N ATOM 996 CA LEU A 63 3.106 -10.453 -3.352 1.00 0.00 C ATOM 997 C LEU A 63 3.198 -9.863 -4.747 1.00 0.00 C ATOM 998 O LEU A 63 4.287 -9.705 -5.297 1.00 0.00 O ATOM 999 CB LEU A 63 3.075 -9.328 -2.321 1.00 0.00 C ATOM 1000 CG LEU A 63 2.493 -9.722 -0.966 1.00 0.00 C ATOM 1001 CD1 LEU A 63 1.118 -10.346 -1.142 1.00 0.00 C ATOM 1002 CD2 LEU A 63 3.433 -10.677 -0.248 1.00 0.00 C ATOM 0 H LEU A 63 5.104 -10.887 -2.903 1.00 0.00 H new ATOM 0 HA LEU A 63 2.185 -11.031 -3.272 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.091 -8.961 -2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.493 -8.499 -2.724 1.00 0.00 H new ATOM 0 HG LEU A 63 2.384 -8.825 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.716 -10.622 -0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.451 -9.628 -1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.200 -11.236 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.006 -10.950 0.717 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.571 -11.574 -0.851 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.397 -10.192 -0.094 1.00 0.00 H new ATOM 1014 N HIS A 64 2.048 -9.534 -5.312 1.00 0.00 N ATOM 1015 CA HIS A 64 1.989 -8.957 -6.639 1.00 0.00 C ATOM 1016 C HIS A 64 0.703 -8.164 -6.811 1.00 0.00 C ATOM 1017 O HIS A 64 -0.361 -8.736 -7.053 1.00 0.00 O ATOM 1018 CB HIS A 64 2.093 -10.056 -7.697 1.00 0.00 C ATOM 1019 CG HIS A 64 0.998 -11.075 -7.626 1.00 0.00 C ATOM 1020 ND1 HIS A 64 -0.108 -11.050 -8.450 1.00 0.00 N ATOM 1021 CD2 HIS A 64 0.847 -12.161 -6.831 1.00 0.00 C ATOM 1022 CE1 HIS A 64 -0.891 -12.074 -8.164 1.00 0.00 C ATOM 1023 NE2 HIS A 64 -0.335 -12.764 -7.187 1.00 0.00 N ATOM 0 H HIS A 64 1.139 -9.659 -4.867 1.00 0.00 H new ATOM 0 HA HIS A 64 2.831 -8.276 -6.766 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.084 -9.597 -8.685 1.00 0.00 H new ATOM 0 HB3 HIS A 64 3.053 -10.561 -7.589 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.528 -12.491 -6.061 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -1.828 -12.307 -8.648 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.720 -13.609 -6.764 1.00 0.00 H new ATOM 1032 N LEU A 65 0.798 -6.850 -6.676 1.00 0.00 N ATOM 1033 CA LEU A 65 -0.370 -5.997 -6.813 1.00 0.00 C ATOM 1034 C LEU A 65 -0.894 -6.030 -8.242 1.00 0.00 C ATOM 1035 O LEU A 65 -2.081 -5.819 -8.492 1.00 0.00 O ATOM 1036 CB LEU A 65 -0.038 -4.563 -6.412 1.00 0.00 C ATOM 1037 CG LEU A 65 0.358 -4.392 -4.948 1.00 0.00 C ATOM 1038 CD1 LEU A 65 1.868 -4.331 -4.811 1.00 0.00 C ATOM 1039 CD2 LEU A 65 -0.284 -3.150 -4.359 1.00 0.00 C ATOM 0 H LEU A 65 1.666 -6.355 -6.473 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.145 -6.376 -6.147 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.777 -4.203 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.903 -3.932 -6.618 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.004 -5.257 -4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.133 -4.209 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.305 -5.254 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.251 -3.486 -5.383 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.012 -3.048 -3.315 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.043 -2.272 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.369 -3.236 -4.422 1.00 0.00 H new ATOM 1051 N ASN A 66 0.008 -6.303 -9.171 1.00 0.00 N ATOM 1052 CA ASN A 66 -0.331 -6.375 -10.586 1.00 0.00 C ATOM 1053 C ASN A 66 0.306 -7.601 -11.233 1.00 0.00 C ATOM 1054 O ASN A 66 1.125 -8.284 -10.619 1.00 0.00 O ATOM 1055 CB ASN A 66 0.125 -5.105 -11.306 1.00 0.00 C ATOM 1056 CG ASN A 66 -0.994 -4.094 -11.460 1.00 0.00 C ATOM 1057 OD1 ASN A 66 -1.486 -3.541 -10.476 1.00 0.00 O ATOM 1058 ND2 ASN A 66 -1.403 -3.847 -12.699 1.00 0.00 N ATOM 0 H ASN A 66 0.992 -6.480 -8.968 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.414 -6.462 -10.673 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.947 -4.652 -10.752 1.00 0.00 H new ATOM 0 HB3 ASN A 66 0.511 -5.368 -12.291 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -2.153 -3.176 -12.864 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.967 -4.328 -13.486 1.00 0.00 H new ATOM 1065 N GLU A 67 -0.076 -7.874 -12.477 1.00 0.00 N ATOM 1066 CA GLU A 67 0.458 -9.019 -13.206 1.00 0.00 C ATOM 1067 C GLU A 67 1.872 -8.745 -13.719 1.00 0.00 C ATOM 1068 O GLU A 67 2.549 -9.652 -14.205 1.00 0.00 O ATOM 1069 CB GLU A 67 -0.461 -9.376 -14.377 1.00 0.00 C ATOM 1070 CG GLU A 67 -1.492 -10.440 -14.038 1.00 0.00 C ATOM 1071 CD GLU A 67 -2.257 -10.920 -15.257 1.00 0.00 C ATOM 1072 OE1 GLU A 67 -2.512 -10.094 -16.158 1.00 0.00 O ATOM 1073 OE2 GLU A 67 -2.598 -12.120 -15.310 1.00 0.00 O ATOM 0 H GLU A 67 -0.753 -7.319 -13.001 1.00 0.00 H new ATOM 0 HA GLU A 67 0.506 -9.860 -12.515 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.977 -8.476 -14.711 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.147 -9.724 -15.212 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.993 -11.288 -13.570 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.195 -10.040 -13.307 1.00 0.00 H new ATOM 1080 N ALA A 68 2.317 -7.495 -13.611 1.00 0.00 N ATOM 1081 CA ALA A 68 3.650 -7.119 -14.070 1.00 0.00 C ATOM 1082 C ALA A 68 4.567 -6.775 -12.899 1.00 0.00 C ATOM 1083 O ALA A 68 5.599 -6.127 -13.079 1.00 0.00 O ATOM 1084 CB ALA A 68 3.564 -5.947 -15.035 1.00 0.00 C ATOM 0 H ALA A 68 1.776 -6.729 -13.211 1.00 0.00 H new ATOM 0 HA ALA A 68 4.079 -7.976 -14.589 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.566 -5.677 -15.370 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.957 -6.228 -15.896 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.107 -5.095 -14.532 1.00 0.00 H new ATOM 1090 N VAL A 69 4.191 -7.210 -11.698 1.00 0.00 N ATOM 1091 CA VAL A 69 4.988 -6.942 -10.505 1.00 0.00 C ATOM 1092 C VAL A 69 4.852 -8.077 -9.493 1.00 0.00 C ATOM 1093 O VAL A 69 3.751 -8.556 -9.241 1.00 0.00 O ATOM 1094 CB VAL A 69 4.572 -5.611 -9.843 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.559 -4.489 -10.868 1.00 0.00 C ATOM 1096 CG2 VAL A 69 3.209 -5.735 -9.176 1.00 0.00 C ATOM 0 H VAL A 69 3.342 -7.748 -11.526 1.00 0.00 H new ATOM 0 HA VAL A 69 6.029 -6.867 -10.821 1.00 0.00 H new ATOM 0 HB VAL A 69 5.306 -5.373 -9.073 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.264 -3.558 -10.384 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.555 -4.376 -11.296 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.849 -4.728 -11.660 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.940 -4.783 -8.718 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.461 -6.002 -9.923 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.248 -6.509 -8.409 1.00 0.00 H new ATOM 1106 N SER A 70 5.972 -8.505 -8.915 1.00 0.00 N ATOM 1107 CA SER A 70 5.949 -9.587 -7.932 1.00 0.00 C ATOM 1108 C SER A 70 7.147 -9.516 -6.986 1.00 0.00 C ATOM 1109 O SER A 70 8.280 -9.299 -7.419 1.00 0.00 O ATOM 1110 CB SER A 70 5.928 -10.943 -8.643 1.00 0.00 C ATOM 1111 OG SER A 70 6.526 -10.857 -9.924 1.00 0.00 O ATOM 0 H SER A 70 6.899 -8.124 -9.107 1.00 0.00 H new ATOM 0 HA SER A 70 5.044 -9.473 -7.336 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.457 -11.681 -8.040 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.899 -11.290 -8.741 1.00 0.00 H new ATOM 0 HG SER A 70 6.501 -11.736 -10.356 1.00 0.00 H new ATOM 1117 N PHE A 71 6.889 -9.715 -5.694 1.00 0.00 N ATOM 1118 CA PHE A 71 7.953 -9.687 -4.686 1.00 0.00 C ATOM 1119 C PHE A 71 7.616 -10.566 -3.487 1.00 0.00 C ATOM 1120 O PHE A 71 6.552 -10.445 -2.885 1.00 0.00 O ATOM 1121 CB PHE A 71 8.239 -8.255 -4.223 1.00 0.00 C ATOM 1122 CG PHE A 71 9.601 -7.766 -4.626 1.00 0.00 C ATOM 1123 CD1 PHE A 71 9.848 -7.354 -5.927 1.00 0.00 C ATOM 1124 CD2 PHE A 71 10.635 -7.722 -3.707 1.00 0.00 C ATOM 1125 CE1 PHE A 71 11.102 -6.908 -6.301 1.00 0.00 C ATOM 1126 CE2 PHE A 71 11.891 -7.278 -4.075 1.00 0.00 C ATOM 1127 CZ PHE A 71 12.125 -6.871 -5.373 1.00 0.00 C ATOM 0 H PHE A 71 5.958 -9.897 -5.320 1.00 0.00 H new ATOM 0 HA PHE A 71 8.850 -10.087 -5.159 1.00 0.00 H new ATOM 0 HB2 PHE A 71 7.483 -7.588 -4.637 1.00 0.00 H new ATOM 0 HB3 PHE A 71 8.148 -8.205 -3.138 1.00 0.00 H new ATOM 0 HD1 PHE A 71 9.052 -7.382 -6.656 1.00 0.00 H new ATOM 0 HD2 PHE A 71 10.458 -8.039 -2.690 1.00 0.00 H new ATOM 0 HE1 PHE A 71 11.282 -6.589 -7.317 1.00 0.00 H new ATOM 0 HE2 PHE A 71 12.689 -7.250 -3.348 1.00 0.00 H new ATOM 0 HZ PHE A 71 13.106 -6.524 -5.663 1.00 0.00 H new ATOM 1137 N LEU A 72 8.560 -11.441 -3.161 1.00 0.00 N ATOM 1138 CA LEU A 72 8.460 -12.380 -2.040 1.00 0.00 C ATOM 1139 C LEU A 72 7.565 -11.879 -0.900 1.00 0.00 C ATOM 1140 O LEU A 72 6.837 -12.661 -0.289 1.00 0.00 O ATOM 1141 CB LEU A 72 9.862 -12.634 -1.499 1.00 0.00 C ATOM 1142 CG LEU A 72 10.725 -11.374 -1.404 1.00 0.00 C ATOM 1143 CD1 LEU A 72 10.421 -10.620 -0.118 1.00 0.00 C ATOM 1144 CD2 LEU A 72 12.202 -11.724 -1.487 1.00 0.00 C ATOM 0 H LEU A 72 9.436 -11.523 -3.677 1.00 0.00 H new ATOM 0 HA LEU A 72 7.999 -13.292 -2.420 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.783 -13.085 -0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 72 10.363 -13.359 -2.141 1.00 0.00 H new ATOM 0 HG LEU A 72 10.484 -10.728 -2.248 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.043 -9.726 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 72 9.370 -10.332 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.633 -11.261 0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 72 12.796 -10.813 -1.417 1.00 0.00 H new ATOM 0 HD22 LEU A 72 12.464 -12.392 -0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 72 12.406 -12.218 -2.437 1.00 0.00 H new ATOM 1156 N SER A 73 7.635 -10.586 -0.603 1.00 0.00 N ATOM 1157 CA SER A 73 6.844 -10.011 0.478 1.00 0.00 C ATOM 1158 C SER A 73 6.484 -8.562 0.189 1.00 0.00 C ATOM 1159 O SER A 73 6.887 -8.001 -0.830 1.00 0.00 O ATOM 1160 CB SER A 73 7.607 -10.104 1.801 1.00 0.00 C ATOM 1161 OG SER A 73 6.726 -9.991 2.906 1.00 0.00 O ATOM 0 H SER A 73 8.229 -9.918 -1.094 1.00 0.00 H new ATOM 0 HA SER A 73 5.919 -10.583 0.555 1.00 0.00 H new ATOM 0 HB2 SER A 73 8.139 -11.054 1.852 1.00 0.00 H new ATOM 0 HB3 SER A 73 8.358 -9.315 1.848 1.00 0.00 H new ATOM 0 HG SER A 73 7.237 -10.055 3.740 1.00 0.00 H new ATOM 1167 N LEU A 74 5.715 -7.963 1.090 1.00 0.00 N ATOM 1168 CA LEU A 74 5.292 -6.581 0.928 1.00 0.00 C ATOM 1169 C LEU A 74 6.419 -5.598 1.211 1.00 0.00 C ATOM 1170 O LEU A 74 6.766 -4.793 0.350 1.00 0.00 O ATOM 1171 CB LEU A 74 4.100 -6.275 1.797 1.00 0.00 C ATOM 1172 CG LEU A 74 2.793 -6.538 1.079 1.00 0.00 C ATOM 1173 CD1 LEU A 74 1.712 -6.941 2.057 1.00 0.00 C ATOM 1174 CD2 LEU A 74 2.409 -5.313 0.262 1.00 0.00 C ATOM 0 H LEU A 74 5.373 -8.413 1.939 1.00 0.00 H new ATOM 0 HA LEU A 74 5.005 -6.460 -0.117 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.145 -6.882 2.701 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.138 -5.232 2.111 1.00 0.00 H new ATOM 0 HG LEU A 74 2.915 -7.376 0.392 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.783 -7.124 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.014 -7.849 2.579 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.559 -6.140 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.468 -5.501 -0.255 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.294 -4.455 0.925 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.190 -5.104 -0.469 1.00 0.00 H new ATOM 1186 N PRO A 75 7.022 -5.640 2.418 1.00 0.00 N ATOM 1187 CA PRO A 75 8.120 -4.744 2.768 1.00 0.00 C ATOM 1188 C PRO A 75 9.112 -4.643 1.619 1.00 0.00 C ATOM 1189 O PRO A 75 9.575 -3.556 1.267 1.00 0.00 O ATOM 1190 CB PRO A 75 8.766 -5.403 3.999 1.00 0.00 C ATOM 1191 CG PRO A 75 8.035 -6.693 4.210 1.00 0.00 C ATOM 1192 CD PRO A 75 6.707 -6.552 3.522 1.00 0.00 C ATOM 0 HA PRO A 75 7.787 -3.726 2.971 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.829 -5.580 3.834 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.682 -4.760 4.875 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.598 -7.530 3.797 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.901 -6.893 5.273 1.00 0.00 H new ATOM 0 HD2 PRO A 75 6.331 -7.510 3.163 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.947 -6.140 4.186 1.00 0.00 H new ATOM 1200 N GLU A 76 9.398 -5.788 1.011 1.00 0.00 N ATOM 1201 CA GLU A 76 10.297 -5.834 -0.126 1.00 0.00 C ATOM 1202 C GLU A 76 9.556 -5.386 -1.373 1.00 0.00 C ATOM 1203 O GLU A 76 10.126 -4.737 -2.252 1.00 0.00 O ATOM 1204 CB GLU A 76 10.849 -7.245 -0.325 1.00 0.00 C ATOM 1205 CG GLU A 76 11.270 -7.926 0.968 1.00 0.00 C ATOM 1206 CD GLU A 76 12.048 -7.010 1.894 1.00 0.00 C ATOM 1207 OE1 GLU A 76 12.966 -6.315 1.409 1.00 0.00 O ATOM 1208 OE2 GLU A 76 11.739 -6.988 3.104 1.00 0.00 O ATOM 0 H GLU A 76 9.019 -6.693 1.289 1.00 0.00 H new ATOM 0 HA GLU A 76 11.136 -5.164 0.062 1.00 0.00 H new ATOM 0 HB2 GLU A 76 10.092 -7.856 -0.817 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.706 -7.199 -0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.383 -8.289 1.486 1.00 0.00 H new ATOM 0 HG3 GLU A 76 11.880 -8.798 0.731 1.00 0.00 H new ATOM 1215 N LEU A 77 8.266 -5.719 -1.439 1.00 0.00 N ATOM 1216 CA LEU A 77 7.453 -5.325 -2.570 1.00 0.00 C ATOM 1217 C LEU A 77 7.413 -3.808 -2.673 1.00 0.00 C ATOM 1218 O LEU A 77 7.851 -3.229 -3.667 1.00 0.00 O ATOM 1219 CB LEU A 77 6.046 -5.877 -2.412 1.00 0.00 C ATOM 1220 CG LEU A 77 4.987 -5.214 -3.281 1.00 0.00 C ATOM 1221 CD1 LEU A 77 3.940 -6.232 -3.678 1.00 0.00 C ATOM 1222 CD2 LEU A 77 4.366 -4.027 -2.549 1.00 0.00 C ATOM 0 H LEU A 77 7.773 -6.256 -0.725 1.00 0.00 H new ATOM 0 HA LEU A 77 7.889 -5.729 -3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.064 -6.943 -2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.750 -5.778 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 77 5.452 -4.832 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 77 3.184 -5.753 -4.300 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.412 -7.040 -4.238 1.00 0.00 H new ATOM 0 HD13 LEU A 77 3.469 -6.638 -2.783 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.611 -3.563 -3.183 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.902 -4.372 -1.625 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.141 -3.297 -2.316 1.00 0.00 H new ATOM 1234 N VAL A 78 6.902 -3.165 -1.625 1.00 0.00 N ATOM 1235 CA VAL A 78 6.830 -1.714 -1.589 1.00 0.00 C ATOM 1236 C VAL A 78 8.180 -1.127 -1.973 1.00 0.00 C ATOM 1237 O VAL A 78 8.261 -0.081 -2.615 1.00 0.00 O ATOM 1238 CB VAL A 78 6.419 -1.201 -0.195 1.00 0.00 C ATOM 1239 CG1 VAL A 78 6.427 0.322 -0.156 1.00 0.00 C ATOM 1240 CG2 VAL A 78 5.050 -1.742 0.188 1.00 0.00 C ATOM 0 H VAL A 78 6.534 -3.628 -0.794 1.00 0.00 H new ATOM 0 HA VAL A 78 6.069 -1.396 -2.301 1.00 0.00 H new ATOM 0 HB VAL A 78 7.147 -1.562 0.532 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.134 0.662 0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 78 7.429 0.687 -0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.724 0.709 -0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 78 4.775 -1.370 1.175 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.311 -1.413 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.081 -2.831 0.207 1.00 0.00 H new ATOM 1250 N ASN A 79 9.244 -1.831 -1.587 1.00 0.00 N ATOM 1251 CA ASN A 79 10.596 -1.405 -1.905 1.00 0.00 C ATOM 1252 C ASN A 79 10.747 -1.197 -3.409 1.00 0.00 C ATOM 1253 O ASN A 79 11.399 -0.249 -3.852 1.00 0.00 O ATOM 1254 CB ASN A 79 11.609 -2.441 -1.416 1.00 0.00 C ATOM 1255 CG ASN A 79 12.878 -1.804 -0.884 1.00 0.00 C ATOM 1256 OD1 ASN A 79 13.561 -1.066 -1.593 1.00 0.00 O ATOM 1257 ND2 ASN A 79 13.200 -2.090 0.373 1.00 0.00 N ATOM 0 H ASN A 79 9.190 -2.699 -1.054 1.00 0.00 H new ATOM 0 HA ASN A 79 10.788 -0.459 -1.398 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.155 -3.048 -0.633 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.860 -3.114 -2.236 1.00 0.00 H new ATOM 0 HD21 ASN A 79 14.043 -1.692 0.787 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.604 -2.707 0.924 1.00 0.00 H new ATOM 1264 N TYR A 80 10.125 -2.074 -4.199 1.00 0.00 N ATOM 1265 CA TYR A 80 10.201 -1.944 -5.649 1.00 0.00 C ATOM 1266 C TYR A 80 9.163 -0.942 -6.136 1.00 0.00 C ATOM 1267 O TYR A 80 9.374 -0.243 -7.126 1.00 0.00 O ATOM 1268 CB TYR A 80 10.033 -3.304 -6.346 1.00 0.00 C ATOM 1269 CG TYR A 80 8.600 -3.762 -6.519 1.00 0.00 C ATOM 1270 CD1 TYR A 80 7.736 -3.115 -7.397 1.00 0.00 C ATOM 1271 CD2 TYR A 80 8.115 -4.849 -5.809 1.00 0.00 C ATOM 1272 CE1 TYR A 80 6.431 -3.540 -7.557 1.00 0.00 C ATOM 1273 CE2 TYR A 80 6.813 -5.281 -5.964 1.00 0.00 C ATOM 1274 CZ TYR A 80 5.975 -4.624 -6.837 1.00 0.00 C ATOM 1275 OH TYR A 80 4.677 -5.051 -6.989 1.00 0.00 O ATOM 0 H TYR A 80 9.575 -2.865 -3.865 1.00 0.00 H new ATOM 0 HA TYR A 80 11.192 -1.573 -5.909 1.00 0.00 H new ATOM 0 HB2 TYR A 80 10.503 -3.253 -7.328 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.573 -4.058 -5.773 1.00 0.00 H new ATOM 0 HD1 TYR A 80 8.091 -2.266 -7.963 1.00 0.00 H new ATOM 0 HD2 TYR A 80 8.767 -5.367 -5.122 1.00 0.00 H new ATOM 0 HE1 TYR A 80 5.772 -3.026 -8.242 1.00 0.00 H new ATOM 0 HE2 TYR A 80 6.453 -6.131 -5.403 1.00 0.00 H new ATOM 0 HH TYR A 80 4.518 -5.826 -6.411 1.00 0.00 H new ATOM 1285 N HIS A 81 8.048 -0.862 -5.415 1.00 0.00 N ATOM 1286 CA HIS A 81 6.989 0.072 -5.758 1.00 0.00 C ATOM 1287 C HIS A 81 7.492 1.502 -5.600 1.00 0.00 C ATOM 1288 O HIS A 81 7.056 2.407 -6.310 1.00 0.00 O ATOM 1289 CB HIS A 81 5.762 -0.154 -4.870 1.00 0.00 C ATOM 1290 CG HIS A 81 4.580 -0.734 -5.586 1.00 0.00 C ATOM 1291 ND1 HIS A 81 4.548 -0.957 -6.947 1.00 0.00 N ATOM 1292 CD2 HIS A 81 3.375 -1.136 -5.114 1.00 0.00 C ATOM 1293 CE1 HIS A 81 3.377 -1.467 -7.282 1.00 0.00 C ATOM 1294 NE2 HIS A 81 2.648 -1.586 -6.188 1.00 0.00 N ATOM 0 H HIS A 81 7.858 -1.433 -4.592 1.00 0.00 H new ATOM 0 HA HIS A 81 6.698 -0.095 -6.795 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.038 -0.819 -4.051 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.471 0.797 -4.424 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.048 -1.108 -4.085 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.068 -1.740 -8.280 1.00 0.00 H new ATOM 0 HE2 HIS A 81 1.697 -1.953 -6.147 1.00 0.00 H new ATOM 1303 N ARG A 82 8.424 1.698 -4.665 1.00 0.00 N ATOM 1304 CA ARG A 82 8.987 3.020 -4.430 1.00 0.00 C ATOM 1305 C ARG A 82 9.965 3.375 -5.526 1.00 0.00 C ATOM 1306 O ARG A 82 10.006 4.507 -6.000 1.00 0.00 O ATOM 1307 CB ARG A 82 9.673 3.101 -3.067 1.00 0.00 C ATOM 1308 CG ARG A 82 10.410 4.413 -2.847 1.00 0.00 C ATOM 1309 CD ARG A 82 10.959 4.517 -1.433 1.00 0.00 C ATOM 1310 NE ARG A 82 11.786 3.364 -1.080 1.00 0.00 N ATOM 1311 CZ ARG A 82 12.080 3.018 0.171 1.00 0.00 C ATOM 1312 NH1 ARG A 82 11.617 3.730 1.191 1.00 0.00 N ATOM 1313 NH2 ARG A 82 12.840 1.955 0.402 1.00 0.00 N ATOM 0 H ARG A 82 8.799 0.963 -4.066 1.00 0.00 H new ATOM 0 HA ARG A 82 8.166 3.737 -4.436 1.00 0.00 H new ATOM 0 HB2 ARG A 82 8.926 2.975 -2.283 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.378 2.275 -2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 82 11.228 4.496 -3.562 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.734 5.247 -3.038 1.00 0.00 H new ATOM 0 HD2 ARG A 82 11.549 5.429 -1.339 1.00 0.00 H new ATOM 0 HD3 ARG A 82 10.132 4.599 -0.728 1.00 0.00 H new ATOM 0 HE ARG A 82 12.159 2.791 -1.837 1.00 0.00 H new ATOM 0 HH11 ARG A 82 11.032 4.548 1.018 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.846 3.459 2.147 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.198 1.405 -0.379 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.066 1.688 1.360 1.00 0.00 H new ATOM 1327 N ALA A 83 10.732 2.395 -5.940 1.00 0.00 N ATOM 1328 CA ALA A 83 11.685 2.601 -7.010 1.00 0.00 C ATOM 1329 C ALA A 83 10.918 2.804 -8.304 1.00 0.00 C ATOM 1330 O ALA A 83 10.934 3.882 -8.896 1.00 0.00 O ATOM 1331 CB ALA A 83 12.635 1.418 -7.123 1.00 0.00 C ATOM 0 H ALA A 83 10.717 1.450 -5.556 1.00 0.00 H new ATOM 0 HA ALA A 83 12.290 3.483 -6.800 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.342 1.595 -7.934 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.179 1.298 -6.186 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.065 0.512 -7.330 1.00 0.00 H new ATOM 1337 N GLN A 84 10.218 1.755 -8.713 1.00 0.00 N ATOM 1338 CA GLN A 84 9.396 1.793 -9.913 1.00 0.00 C ATOM 1339 C GLN A 84 7.936 2.065 -9.559 1.00 0.00 C ATOM 1340 O GLN A 84 7.411 1.510 -8.594 1.00 0.00 O ATOM 1341 CB GLN A 84 9.515 0.478 -10.685 1.00 0.00 C ATOM 1342 CG GLN A 84 10.857 0.297 -11.374 1.00 0.00 C ATOM 1343 CD GLN A 84 10.811 0.665 -12.844 1.00 0.00 C ATOM 1344 OE1 GLN A 84 9.944 0.201 -13.586 1.00 0.00 O ATOM 1345 NE2 GLN A 84 11.747 1.503 -13.274 1.00 0.00 N ATOM 0 H GLN A 84 10.204 0.859 -8.225 1.00 0.00 H new ATOM 0 HA GLN A 84 9.756 2.604 -10.546 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.354 -0.353 -9.998 1.00 0.00 H new ATOM 0 HB3 GLN A 84 8.723 0.432 -11.432 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.605 0.911 -10.873 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.177 -0.740 -11.273 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.446 1.863 -12.625 1.00 0.00 H new ATOM 0 HE22 GLN A 84 11.767 1.786 -14.254 1.00 0.00 H new ATOM 1354 N SER A 85 7.274 2.900 -10.353 1.00 0.00 N ATOM 1355 CA SER A 85 5.865 3.213 -10.124 1.00 0.00 C ATOM 1356 C SER A 85 4.980 2.311 -10.984 1.00 0.00 C ATOM 1357 O SER A 85 3.922 2.727 -11.459 1.00 0.00 O ATOM 1358 CB SER A 85 5.584 4.682 -10.450 1.00 0.00 C ATOM 1359 OG SER A 85 6.774 5.450 -10.415 1.00 0.00 O ATOM 0 H SER A 85 7.687 3.371 -11.158 1.00 0.00 H new ATOM 0 HA SER A 85 5.638 3.038 -9.072 1.00 0.00 H new ATOM 0 HB2 SER A 85 5.128 4.758 -11.437 1.00 0.00 H new ATOM 0 HB3 SER A 85 4.866 5.085 -9.736 1.00 0.00 H new ATOM 0 HG SER A 85 6.567 6.384 -10.628 1.00 0.00 H new ATOM 1365 N LEU A 86 5.436 1.078 -11.192 1.00 0.00 N ATOM 1366 CA LEU A 86 4.712 0.107 -12.009 1.00 0.00 C ATOM 1367 C LEU A 86 3.271 -0.077 -11.544 1.00 0.00 C ATOM 1368 O LEU A 86 3.018 -0.530 -10.428 1.00 0.00 O ATOM 1369 CB LEU A 86 5.439 -1.239 -11.989 1.00 0.00 C ATOM 1370 CG LEU A 86 5.528 -1.949 -13.341 1.00 0.00 C ATOM 1371 CD1 LEU A 86 6.809 -2.762 -13.433 1.00 0.00 C ATOM 1372 CD2 LEU A 86 4.313 -2.839 -13.556 1.00 0.00 C ATOM 0 H LEU A 86 6.310 0.726 -10.803 1.00 0.00 H new ATOM 0 HA LEU A 86 4.682 0.497 -13.027 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.449 -1.083 -11.611 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.933 -1.897 -11.283 1.00 0.00 H new ATOM 0 HG LEU A 86 5.544 -1.194 -14.127 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.855 -3.260 -14.401 1.00 0.00 H new ATOM 0 HD12 LEU A 86 7.668 -2.100 -13.324 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.823 -3.509 -12.640 1.00 0.00 H new ATOM 0 HD21 LEU A 86 4.393 -3.336 -14.523 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.266 -3.588 -12.765 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.408 -2.231 -13.534 1.00 0.00 H new ATOM 1384 N SER A 87 2.332 0.261 -12.427 1.00 0.00 N ATOM 1385 CA SER A 87 0.901 0.126 -12.149 1.00 0.00 C ATOM 1386 C SER A 87 0.550 0.500 -10.710 1.00 0.00 C ATOM 1387 O SER A 87 -0.260 -0.169 -10.068 1.00 0.00 O ATOM 1388 CB SER A 87 0.447 -1.306 -12.436 1.00 0.00 C ATOM 1389 OG SER A 87 1.438 -2.243 -12.053 1.00 0.00 O ATOM 0 H SER A 87 2.540 0.635 -13.353 1.00 0.00 H new ATOM 0 HA SER A 87 0.377 0.822 -12.804 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.479 -1.512 -11.899 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.230 -1.416 -13.499 1.00 0.00 H new ATOM 0 HG SER A 87 1.673 -2.104 -11.112 1.00 0.00 H new ATOM 1395 N HIS A 88 1.150 1.574 -10.209 1.00 0.00 N ATOM 1396 CA HIS A 88 0.877 2.024 -8.850 1.00 0.00 C ATOM 1397 C HIS A 88 0.802 3.546 -8.786 1.00 0.00 C ATOM 1398 O HIS A 88 1.596 4.248 -9.414 1.00 0.00 O ATOM 1399 CB HIS A 88 1.933 1.488 -7.879 1.00 0.00 C ATOM 1400 CG HIS A 88 1.772 2.001 -6.484 1.00 0.00 C ATOM 1401 ND1 HIS A 88 1.488 1.188 -5.409 1.00 0.00 N ATOM 1402 CD2 HIS A 88 1.854 3.258 -5.992 1.00 0.00 C ATOM 1403 CE1 HIS A 88 1.402 1.922 -4.315 1.00 0.00 C ATOM 1404 NE2 HIS A 88 1.621 3.181 -4.643 1.00 0.00 N ATOM 0 H HIS A 88 1.824 2.145 -10.719 1.00 0.00 H new ATOM 0 HA HIS A 88 -0.093 1.627 -8.550 1.00 0.00 H new ATOM 0 HB2 HIS A 88 1.884 0.399 -7.866 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.923 1.758 -8.246 1.00 0.00 H new ATOM 0 HD1 HIS A 88 1.364 0.177 -5.452 1.00 0.00 H new ATOM 0 HD2 HIS A 88 2.064 4.155 -6.556 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.189 1.555 -3.322 1.00 0.00 H new ATOM 1413 N GLY A 89 -0.174 4.043 -8.034 1.00 0.00 N ATOM 1414 CA GLY A 89 -0.366 5.475 -7.906 1.00 0.00 C ATOM 1415 C GLY A 89 0.751 6.171 -7.154 1.00 0.00 C ATOM 1416 O GLY A 89 0.642 6.418 -5.955 1.00 0.00 O ATOM 0 H GLY A 89 -0.839 3.476 -7.508 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.451 5.912 -8.901 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.310 5.663 -7.394 1.00 0.00 H new ATOM 1420 N LEU A 90 1.819 6.506 -7.867 1.00 0.00 N ATOM 1421 CA LEU A 90 2.961 7.204 -7.274 1.00 0.00 C ATOM 1422 C LEU A 90 3.798 6.273 -6.405 1.00 0.00 C ATOM 1423 O LEU A 90 3.279 5.589 -5.524 1.00 0.00 O ATOM 1424 CB LEU A 90 2.489 8.409 -6.448 1.00 0.00 C ATOM 1425 CG LEU A 90 2.964 9.771 -6.959 1.00 0.00 C ATOM 1426 CD1 LEU A 90 1.848 10.483 -7.711 1.00 0.00 C ATOM 1427 CD2 LEU A 90 3.472 10.630 -5.808 1.00 0.00 C ATOM 0 H LEU A 90 1.922 6.306 -8.862 1.00 0.00 H new ATOM 0 HA LEU A 90 3.588 7.557 -8.093 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.399 8.408 -6.422 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.833 8.283 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 90 3.790 9.606 -7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 90 2.207 11.449 -8.066 1.00 0.00 H new ATOM 0 HD12 LEU A 90 1.538 9.876 -8.562 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.999 10.634 -7.045 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.805 11.594 -6.193 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.669 10.785 -5.087 1.00 0.00 H new ATOM 0 HD23 LEU A 90 4.306 10.127 -5.319 1.00 0.00 H new ATOM 1439 N ARG A 91 5.102 6.263 -6.660 1.00 0.00 N ATOM 1440 CA ARG A 91 6.029 5.425 -5.908 1.00 0.00 C ATOM 1441 C ARG A 91 5.886 5.644 -4.405 1.00 0.00 C ATOM 1442 O ARG A 91 5.800 6.780 -3.939 1.00 0.00 O ATOM 1443 CB ARG A 91 7.468 5.729 -6.323 1.00 0.00 C ATOM 1444 CG ARG A 91 7.885 5.080 -7.630 1.00 0.00 C ATOM 1445 CD ARG A 91 8.872 5.951 -8.391 1.00 0.00 C ATOM 1446 NE ARG A 91 9.925 6.488 -7.529 1.00 0.00 N ATOM 1447 CZ ARG A 91 11.074 6.983 -7.985 1.00 0.00 C ATOM 1448 NH1 ARG A 91 11.323 7.011 -9.288 1.00 0.00 N ATOM 1449 NH2 ARG A 91 11.976 7.454 -7.134 1.00 0.00 N ATOM 0 H ARG A 91 5.543 6.829 -7.385 1.00 0.00 H new ATOM 0 HA ARG A 91 5.788 4.386 -6.132 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.589 6.809 -6.411 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.141 5.396 -5.533 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.335 4.108 -7.428 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.004 4.901 -8.247 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.325 5.367 -9.192 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.336 6.775 -8.862 1.00 0.00 H new ATOM 0 HE ARG A 91 9.770 6.483 -6.521 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.632 6.652 -9.947 1.00 0.00 H new ATOM 0 HH12 ARG A 91 12.205 7.392 -9.631 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.789 7.437 -6.131 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.856 7.833 -7.482 1.00 0.00 H new ATOM 1463 N LEU A 92 5.880 4.550 -3.653 1.00 0.00 N ATOM 1464 CA LEU A 92 5.771 4.626 -2.199 1.00 0.00 C ATOM 1465 C LEU A 92 6.942 5.423 -1.626 1.00 0.00 C ATOM 1466 O LEU A 92 8.065 4.925 -1.549 1.00 0.00 O ATOM 1467 CB LEU A 92 5.729 3.219 -1.600 1.00 0.00 C ATOM 1468 CG LEU A 92 4.357 2.513 -1.633 1.00 0.00 C ATOM 1469 CD1 LEU A 92 3.297 3.351 -2.338 1.00 0.00 C ATOM 1470 CD2 LEU A 92 4.467 1.144 -2.282 1.00 0.00 C ATOM 0 H LEU A 92 5.949 3.602 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 92 4.845 5.138 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 92 6.449 2.597 -2.132 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.062 3.276 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 92 4.040 2.387 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 92 2.348 2.814 -2.337 1.00 0.00 H new ATOM 0 HD12 LEU A 92 3.177 4.300 -1.816 1.00 0.00 H new ATOM 0 HD13 LEU A 92 3.606 3.539 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.487 0.667 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.829 1.254 -3.304 1.00 0.00 H new ATOM 0 HD23 LEU A 92 5.164 0.527 -1.715 1.00 0.00 H new ATOM 1482 N ALA A 93 6.676 6.672 -1.251 1.00 0.00 N ATOM 1483 CA ALA A 93 7.714 7.554 -0.716 1.00 0.00 C ATOM 1484 C ALA A 93 7.829 7.470 0.805 1.00 0.00 C ATOM 1485 O ALA A 93 8.725 6.809 1.330 1.00 0.00 O ATOM 1486 CB ALA A 93 7.453 8.990 -1.151 1.00 0.00 C ATOM 0 H ALA A 93 5.751 7.098 -1.307 1.00 0.00 H new ATOM 0 HA ALA A 93 8.667 7.217 -1.124 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.230 9.639 -0.748 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.460 9.047 -2.239 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.481 9.313 -0.777 1.00 0.00 H new ATOM 1492 N ALA A 94 6.928 8.150 1.513 1.00 0.00 N ATOM 1493 CA ALA A 94 6.950 8.155 2.975 1.00 0.00 C ATOM 1494 C ALA A 94 5.766 7.388 3.559 1.00 0.00 C ATOM 1495 O ALA A 94 4.893 6.932 2.827 1.00 0.00 O ATOM 1496 CB ALA A 94 6.959 9.584 3.496 1.00 0.00 C ATOM 0 H ALA A 94 6.177 8.702 1.100 1.00 0.00 H new ATOM 0 HA ALA A 94 7.862 7.651 3.295 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.975 9.574 4.586 1.00 0.00 H new ATOM 0 HB2 ALA A 94 7.844 10.101 3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.064 10.103 3.151 1.00 0.00 H new ATOM 1502 N PRO A 95 5.721 7.233 4.895 1.00 0.00 N ATOM 1503 CA PRO A 95 4.642 6.520 5.575 1.00 0.00 C ATOM 1504 C PRO A 95 3.455 7.425 5.888 1.00 0.00 C ATOM 1505 O PRO A 95 3.614 8.631 6.076 1.00 0.00 O ATOM 1506 CB PRO A 95 5.311 6.061 6.866 1.00 0.00 C ATOM 1507 CG PRO A 95 6.308 7.131 7.174 1.00 0.00 C ATOM 1508 CD PRO A 95 6.722 7.740 5.853 1.00 0.00 C ATOM 0 HA PRO A 95 4.230 5.713 4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.585 5.952 7.672 1.00 0.00 H new ATOM 0 HB3 PRO A 95 5.795 5.093 6.739 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.873 7.887 7.828 1.00 0.00 H new ATOM 0 HG3 PRO A 95 7.171 6.716 7.695 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.716 8.829 5.897 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.731 7.437 5.573 1.00 0.00 H new ATOM 1516 N CYS A 96 2.265 6.836 5.949 1.00 0.00 N ATOM 1517 CA CYS A 96 1.057 7.593 6.247 1.00 0.00 C ATOM 1518 C CYS A 96 1.118 8.172 7.656 1.00 0.00 C ATOM 1519 O CYS A 96 2.041 7.883 8.417 1.00 0.00 O ATOM 1520 CB CYS A 96 -0.179 6.705 6.101 1.00 0.00 C ATOM 1521 SG CYS A 96 -0.173 5.675 4.617 1.00 0.00 S ATOM 0 H CYS A 96 2.113 5.839 5.796 1.00 0.00 H new ATOM 0 HA CYS A 96 0.987 8.415 5.535 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -0.257 6.061 6.977 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.068 7.336 6.089 1.00 0.00 H new ATOM 0 HG CYS A 96 0.834 4.855 4.662 1.00 0.00 H new ATOM 1527 N ARG A 97 0.130 8.994 7.997 1.00 0.00 N ATOM 1528 CA ARG A 97 0.075 9.615 9.315 1.00 0.00 C ATOM 1529 C ARG A 97 -1.274 9.364 9.985 1.00 0.00 C ATOM 1530 O ARG A 97 -1.341 9.090 11.183 1.00 0.00 O ATOM 1531 CB ARG A 97 0.336 11.119 9.202 1.00 0.00 C ATOM 1532 CG ARG A 97 1.709 11.538 9.704 1.00 0.00 C ATOM 1533 CD ARG A 97 2.820 10.882 8.901 1.00 0.00 C ATOM 1534 NE ARG A 97 4.126 11.470 9.189 1.00 0.00 N ATOM 1535 CZ ARG A 97 4.534 12.643 8.710 1.00 0.00 C ATOM 1536 NH1 ARG A 97 3.739 13.359 7.924 1.00 0.00 N ATOM 1537 NH2 ARG A 97 5.738 13.103 9.018 1.00 0.00 N ATOM 0 H ARG A 97 -0.642 9.245 7.379 1.00 0.00 H new ATOM 0 HA ARG A 97 0.851 9.164 9.934 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.232 11.420 8.160 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.427 11.655 9.766 1.00 0.00 H new ATOM 0 HG2 ARG A 97 1.805 12.622 9.642 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.811 11.269 10.755 1.00 0.00 H new ATOM 0 HD2 ARG A 97 2.846 9.815 9.123 1.00 0.00 H new ATOM 0 HD3 ARG A 97 2.605 10.981 7.837 1.00 0.00 H new ATOM 0 HE ARG A 97 4.763 10.951 9.793 1.00 0.00 H new ATOM 0 HH11 ARG A 97 2.811 13.011 7.684 1.00 0.00 H new ATOM 0 HH12 ARG A 97 4.057 14.257 7.560 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.353 12.558 9.623 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.050 14.002 8.651 1.00 0.00 H new ATOM 1551 N LYS A 98 -2.347 9.460 9.204 1.00 0.00 N ATOM 1552 CA LYS A 98 -3.694 9.242 9.722 1.00 0.00 C ATOM 1553 C LYS A 98 -4.074 10.330 10.721 1.00 0.00 C ATOM 1554 O LYS A 98 -3.366 11.326 10.870 1.00 0.00 O ATOM 1555 CB LYS A 98 -3.796 7.866 10.385 1.00 0.00 C ATOM 1556 CG LYS A 98 -5.122 7.165 10.132 1.00 0.00 C ATOM 1557 CD LYS A 98 -5.807 6.771 11.433 1.00 0.00 C ATOM 1558 CE LYS A 98 -6.365 5.357 11.368 1.00 0.00 C ATOM 1559 NZ LYS A 98 -7.849 5.340 11.498 1.00 0.00 N ATOM 0 H LYS A 98 -2.309 9.687 8.210 1.00 0.00 H new ATOM 0 HA LYS A 98 -4.389 9.283 8.883 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -2.986 7.235 10.020 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -3.653 7.978 11.460 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -5.777 7.822 9.560 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -4.953 6.275 9.525 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.096 6.844 12.256 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -6.614 7.472 11.646 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -6.078 4.896 10.423 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -5.924 4.755 12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -8.174 4.362 11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -8.133 5.918 12.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -8.278 5.728 10.634 1.00 0.00 H new ATOM 1573 N HIS A 99 -5.199 10.134 11.403 1.00 0.00 N ATOM 1574 CA HIS A 99 -5.674 11.100 12.387 1.00 0.00 C ATOM 1575 C HIS A 99 -5.360 10.633 13.805 1.00 0.00 C ATOM 1576 O HIS A 99 -6.102 10.924 14.743 1.00 0.00 O ATOM 1577 CB HIS A 99 -7.181 11.318 12.231 1.00 0.00 C ATOM 1578 CG HIS A 99 -7.601 12.744 12.411 1.00 0.00 C ATOM 1579 ND1 HIS A 99 -7.289 13.486 13.531 1.00 0.00 N ATOM 1580 CD2 HIS A 99 -8.313 13.566 11.604 1.00 0.00 C ATOM 1581 CE1 HIS A 99 -7.791 14.701 13.406 1.00 0.00 C ATOM 1582 NE2 HIS A 99 -8.417 14.775 12.247 1.00 0.00 N ATOM 0 H HIS A 99 -5.798 9.316 11.292 1.00 0.00 H new ATOM 0 HA HIS A 99 -5.157 12.043 12.212 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -7.488 10.979 11.242 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -7.707 10.698 12.958 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -6.754 13.149 14.331 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -8.722 13.317 10.636 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -7.704 15.498 14.129 1.00 0.00 H new ATOM 1591 N GLU A 100 -4.255 9.909 13.953 1.00 0.00 N ATOM 1592 CA GLU A 100 -3.843 9.404 15.257 1.00 0.00 C ATOM 1593 C GLU A 100 -4.910 8.488 15.849 1.00 0.00 C ATOM 1594 O GLU A 100 -4.635 7.860 16.894 1.00 0.00 O ATOM 1595 CB GLU A 100 -3.565 10.566 16.213 1.00 0.00 C ATOM 1596 CG GLU A 100 -2.439 11.477 15.751 1.00 0.00 C ATOM 1597 CD GLU A 100 -2.125 12.568 16.756 1.00 0.00 C ATOM 1598 OE1 GLU A 100 -3.076 13.159 17.308 1.00 0.00 O ATOM 1599 OE2 GLU A 100 -0.926 12.832 16.989 1.00 0.00 O ATOM 1600 OXT GLU A 100 -6.010 8.407 15.266 1.00 0.00 O ATOM 0 H GLU A 100 -3.630 9.659 13.187 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.929 8.826 15.122 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.474 11.156 16.329 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.317 10.166 17.196 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.543 10.881 15.575 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -2.712 11.932 14.799 1.00 0.00 H new TER 1607 GLU A 100