USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 486 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 29 GLN : amide:sc= -0.198 K(o=-1.6,f=-3!) USER MOD Set 1.2: A 30 HIS : no HD1:sc= -1.39 K(o=-1.6,f=-3.6!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.00212 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 32:sc= 0.211 USER MOD Single : A 10 GLN : amide:sc= -1.52 K(o=-1.5,f=-4.7!) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.603 K(o=-0.6,f=-3.3!) USER MOD Single : A 16 THR OG1 : rot -82:sc= 0.00275 USER MOD Single : A 18 HIS : no HD1:sc=-0.00499 X(o=-0.005,f=-0.005) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.85 K(o=-1.8,f=-2.7) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -119:sc= -0.71 (180deg=-4.75!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 89:sc= 0.0507 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -108:sc= 0.341 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -1.78! C(o=-1.8!,f=-2.6!) USER MOD Single : A 61 ASN : amide:sc=-0.000387 X(o=-0.00039,f=-0.027) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.837 3.336 -10.844 1.00 0.00 N ATOM 2 CA GLY A 1 -14.563 3.631 -9.622 1.00 0.00 C ATOM 3 C GLY A 1 -14.887 5.104 -9.481 1.00 0.00 C ATOM 4 O GLY A 1 -16.053 5.481 -9.363 1.00 0.00 O ATOM 0 H1 GLY A 1 -13.640 2.316 -10.893 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.410 3.618 -11.665 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.940 3.863 -10.851 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.489 3.055 -9.605 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.972 3.309 -8.765 1.00 0.00 H new ATOM 8 N SER A 2 -13.853 5.939 -9.492 1.00 0.00 N ATOM 9 CA SER A 2 -14.033 7.380 -9.360 1.00 0.00 C ATOM 10 C SER A 2 -14.556 7.984 -10.659 1.00 0.00 C ATOM 11 O SER A 2 -14.029 7.715 -11.738 1.00 0.00 O ATOM 12 CB SER A 2 -12.713 8.047 -8.969 1.00 0.00 C ATOM 13 OG SER A 2 -12.261 7.585 -7.708 1.00 0.00 O ATOM 0 H SER A 2 -12.882 5.642 -9.591 1.00 0.00 H new ATOM 0 HA SER A 2 -14.768 7.558 -8.575 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.958 7.839 -9.728 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.844 9.129 -8.938 1.00 0.00 H new ATOM 0 HG SER A 2 -11.415 8.025 -7.482 1.00 0.00 H new ATOM 19 N SER A 3 -15.597 8.804 -10.547 1.00 0.00 N ATOM 20 CA SER A 3 -16.195 9.444 -11.712 1.00 0.00 C ATOM 21 C SER A 3 -15.558 10.807 -11.970 1.00 0.00 C ATOM 22 O SER A 3 -15.161 11.116 -13.092 1.00 0.00 O ATOM 23 CB SER A 3 -17.704 9.604 -11.515 1.00 0.00 C ATOM 24 OG SER A 3 -17.993 10.255 -10.290 1.00 0.00 O ATOM 0 H SER A 3 -16.043 9.040 -9.661 1.00 0.00 H new ATOM 0 HA SER A 3 -16.014 8.807 -12.578 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.123 10.177 -12.342 1.00 0.00 H new ATOM 0 HB3 SER A 3 -18.182 8.624 -11.531 1.00 0.00 H new ATOM 0 HG SER A 3 -18.964 10.346 -10.189 1.00 0.00 H new ATOM 30 N GLY A 4 -15.465 11.618 -10.921 1.00 0.00 N ATOM 31 CA GLY A 4 -14.877 12.938 -11.053 1.00 0.00 C ATOM 32 C GLY A 4 -13.370 12.887 -11.213 1.00 0.00 C ATOM 33 O GLY A 4 -12.714 11.987 -10.691 1.00 0.00 O ATOM 0 H GLY A 4 -15.787 11.384 -9.982 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.314 13.443 -11.915 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.126 13.533 -10.175 1.00 0.00 H new ATOM 37 N SER A 5 -12.821 13.856 -11.939 1.00 0.00 N ATOM 38 CA SER A 5 -11.382 13.915 -12.171 1.00 0.00 C ATOM 39 C SER A 5 -10.748 15.043 -11.363 1.00 0.00 C ATOM 40 O SER A 5 -9.737 14.846 -10.689 1.00 0.00 O ATOM 41 CB SER A 5 -11.092 14.113 -13.660 1.00 0.00 C ATOM 42 OG SER A 5 -11.154 12.882 -14.359 1.00 0.00 O ATOM 0 H SER A 5 -13.350 14.610 -12.376 1.00 0.00 H new ATOM 0 HA SER A 5 -10.947 12.970 -11.846 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.812 14.813 -14.084 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.104 14.557 -13.786 1.00 0.00 H new ATOM 0 HG SER A 5 -10.967 13.035 -15.309 1.00 0.00 H new ATOM 48 N SER A 6 -11.349 16.226 -11.437 1.00 0.00 N ATOM 49 CA SER A 6 -10.841 17.388 -10.717 1.00 0.00 C ATOM 50 C SER A 6 -10.747 17.102 -9.221 1.00 0.00 C ATOM 51 O SER A 6 -11.720 16.683 -8.596 1.00 0.00 O ATOM 52 CB SER A 6 -11.743 18.600 -10.960 1.00 0.00 C ATOM 53 OG SER A 6 -13.049 18.372 -10.459 1.00 0.00 O ATOM 0 H SER A 6 -12.188 16.405 -11.988 1.00 0.00 H new ATOM 0 HA SER A 6 -9.841 17.607 -11.091 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.314 19.479 -10.479 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.792 18.813 -12.028 1.00 0.00 H new ATOM 0 HG SER A 6 -13.001 17.789 -9.673 1.00 0.00 H new ATOM 59 N GLY A 7 -9.567 17.331 -8.654 1.00 0.00 N ATOM 60 CA GLY A 7 -9.366 17.091 -7.237 1.00 0.00 C ATOM 61 C GLY A 7 -8.414 15.943 -6.972 1.00 0.00 C ATOM 62 O GLY A 7 -8.688 14.802 -7.344 1.00 0.00 O ATOM 0 H GLY A 7 -8.746 17.678 -9.150 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.977 17.996 -6.770 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.327 16.878 -6.768 1.00 0.00 H new ATOM 66 N ASP A 8 -7.291 16.243 -6.328 1.00 0.00 N ATOM 67 CA ASP A 8 -6.294 15.227 -6.014 1.00 0.00 C ATOM 68 C ASP A 8 -6.145 15.059 -4.505 1.00 0.00 C ATOM 69 O ASP A 8 -6.122 16.040 -3.761 1.00 0.00 O ATOM 70 CB ASP A 8 -4.945 15.596 -6.634 1.00 0.00 C ATOM 71 CG ASP A 8 -4.920 15.383 -8.134 1.00 0.00 C ATOM 72 OD1 ASP A 8 -5.664 14.507 -8.622 1.00 0.00 O ATOM 73 OD2 ASP A 8 -4.156 16.093 -8.821 1.00 0.00 O ATOM 0 H ASP A 8 -7.049 17.182 -6.013 1.00 0.00 H new ATOM 0 HA ASP A 8 -6.632 14.280 -6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.721 16.640 -6.414 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.160 14.997 -6.172 1.00 0.00 H new ATOM 78 N ARG A 9 -6.046 13.811 -4.060 1.00 0.00 N ATOM 79 CA ARG A 9 -5.903 13.515 -2.640 1.00 0.00 C ATOM 80 C ARG A 9 -4.598 12.771 -2.369 1.00 0.00 C ATOM 81 O ARG A 9 -4.185 11.918 -3.155 1.00 0.00 O ATOM 82 CB ARG A 9 -7.089 12.683 -2.148 1.00 0.00 C ATOM 83 CG ARG A 9 -7.074 12.429 -0.650 1.00 0.00 C ATOM 84 CD ARG A 9 -8.450 12.026 -0.140 1.00 0.00 C ATOM 85 NE ARG A 9 -9.285 13.188 0.154 1.00 0.00 N ATOM 86 CZ ARG A 9 -10.454 13.113 0.780 1.00 0.00 C ATOM 87 NH1 ARG A 9 -10.924 11.938 1.175 1.00 0.00 N ATOM 88 NH2 ARG A 9 -11.156 14.215 1.011 1.00 0.00 N ATOM 0 H ARG A 9 -6.062 12.988 -4.663 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.882 14.460 -2.098 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -8.015 13.194 -2.412 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.093 11.726 -2.670 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.355 11.643 -0.420 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.741 13.328 -0.131 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.945 11.403 -0.885 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -8.340 11.421 0.760 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.952 14.107 -0.137 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -10.388 11.089 0.998 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -11.822 11.883 1.656 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -10.798 15.121 0.708 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.054 14.156 1.492 1.00 0.00 H new ATOM 102 N GLN A 10 -3.956 13.099 -1.253 1.00 0.00 N ATOM 103 CA GLN A 10 -2.699 12.463 -0.880 1.00 0.00 C ATOM 104 C GLN A 10 -2.950 11.188 -0.081 1.00 0.00 C ATOM 105 O GLN A 10 -3.334 11.240 1.087 1.00 0.00 O ATOM 106 CB GLN A 10 -1.837 13.428 -0.064 1.00 0.00 C ATOM 107 CG GLN A 10 -0.431 12.913 0.200 1.00 0.00 C ATOM 108 CD GLN A 10 0.386 12.771 -1.069 1.00 0.00 C ATOM 109 OE1 GLN A 10 0.036 12.001 -1.964 1.00 0.00 O ATOM 110 NE2 GLN A 10 1.483 13.515 -1.154 1.00 0.00 N ATOM 0 H GLN A 10 -4.286 13.802 -0.591 1.00 0.00 H new ATOM 0 HA GLN A 10 -2.169 12.199 -1.795 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -1.773 14.380 -0.591 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.328 13.624 0.889 1.00 0.00 H new ATOM 0 HG2 GLN A 10 0.079 13.594 0.882 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.490 11.946 0.700 1.00 0.00 H new ATOM 0 HE21 GLN A 10 1.736 14.140 -0.389 1.00 0.00 H new ATOM 0 HE22 GLN A 10 2.072 13.461 -1.985 1.00 0.00 H new ATOM 119 N PHE A 11 -2.731 10.043 -0.720 1.00 0.00 N ATOM 120 CA PHE A 11 -2.935 8.753 -0.069 1.00 0.00 C ATOM 121 C PHE A 11 -2.549 8.821 1.406 1.00 0.00 C ATOM 122 O PHE A 11 -1.368 8.833 1.750 1.00 0.00 O ATOM 123 CB PHE A 11 -2.116 7.668 -0.772 1.00 0.00 C ATOM 124 CG PHE A 11 -0.689 8.062 -1.023 1.00 0.00 C ATOM 125 CD1 PHE A 11 -0.357 8.863 -2.104 1.00 0.00 C ATOM 126 CD2 PHE A 11 0.321 7.632 -0.178 1.00 0.00 C ATOM 127 CE1 PHE A 11 0.956 9.227 -2.338 1.00 0.00 C ATOM 128 CE2 PHE A 11 1.636 7.993 -0.406 1.00 0.00 C ATOM 129 CZ PHE A 11 1.953 8.792 -1.488 1.00 0.00 C ATOM 0 H PHE A 11 -2.413 9.982 -1.687 1.00 0.00 H new ATOM 0 HA PHE A 11 -3.994 8.502 -0.139 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -2.133 6.762 -0.167 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -2.590 7.425 -1.723 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -1.133 9.207 -2.772 1.00 0.00 H new ATOM 0 HD2 PHE A 11 0.078 7.007 0.669 1.00 0.00 H new ATOM 0 HE1 PHE A 11 1.201 9.851 -3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 11 2.414 7.651 0.260 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.979 9.076 -1.668 1.00 0.00 H new ATOM 139 N MET A 12 -3.556 8.868 2.272 1.00 0.00 N ATOM 140 CA MET A 12 -3.323 8.934 3.711 1.00 0.00 C ATOM 141 C MET A 12 -3.078 7.543 4.287 1.00 0.00 C ATOM 142 O MET A 12 -3.572 7.212 5.364 1.00 0.00 O ATOM 143 CB MET A 12 -4.515 9.587 4.412 1.00 0.00 C ATOM 144 CG MET A 12 -4.177 10.160 5.779 1.00 0.00 C ATOM 145 SD MET A 12 -5.570 11.018 6.537 1.00 0.00 S ATOM 146 CE MET A 12 -5.365 10.547 8.253 1.00 0.00 C ATOM 0 H MET A 12 -4.540 8.862 2.003 1.00 0.00 H new ATOM 0 HA MET A 12 -2.433 9.540 3.883 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.906 10.384 3.780 1.00 0.00 H new ATOM 0 HB3 MET A 12 -5.310 8.849 4.523 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.851 9.354 6.436 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.339 10.851 5.682 1.00 0.00 H new ATOM 0 HE1 MET A 12 -6.154 11.001 8.852 1.00 0.00 H new ATOM 0 HE2 MET A 12 -5.421 9.462 8.342 1.00 0.00 H new ATOM 0 HE3 MET A 12 -4.395 10.891 8.611 1.00 0.00 H new ATOM 156 N ASN A 13 -2.314 6.733 3.561 1.00 0.00 N ATOM 157 CA ASN A 13 -2.005 5.377 4.001 1.00 0.00 C ATOM 158 C ASN A 13 -0.942 4.745 3.108 1.00 0.00 C ATOM 159 O ASN A 13 -1.069 4.736 1.883 1.00 0.00 O ATOM 160 CB ASN A 13 -3.270 4.516 3.994 1.00 0.00 C ATOM 161 CG ASN A 13 -4.119 4.746 2.759 1.00 0.00 C ATOM 162 OD1 ASN A 13 -4.764 5.786 2.620 1.00 0.00 O ATOM 163 ND2 ASN A 13 -4.124 3.774 1.854 1.00 0.00 N ATOM 0 H ASN A 13 -1.898 6.992 2.666 1.00 0.00 H new ATOM 0 HA ASN A 13 -1.615 5.431 5.018 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.990 3.464 4.049 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.860 4.735 4.884 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -4.677 3.873 1.003 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.575 2.929 2.010 1.00 0.00 H new ATOM 170 N VAL A 14 0.108 4.217 3.730 1.00 0.00 N ATOM 171 CA VAL A 14 1.193 3.582 2.993 1.00 0.00 C ATOM 172 C VAL A 14 0.655 2.730 1.848 1.00 0.00 C ATOM 173 O VAL A 14 1.215 2.720 0.752 1.00 0.00 O ATOM 174 CB VAL A 14 2.055 2.698 3.914 1.00 0.00 C ATOM 175 CG1 VAL A 14 2.747 3.545 4.971 1.00 0.00 C ATOM 176 CG2 VAL A 14 1.206 1.614 4.560 1.00 0.00 C ATOM 0 H VAL A 14 0.230 4.217 4.743 1.00 0.00 H new ATOM 0 HA VAL A 14 1.811 4.383 2.587 1.00 0.00 H new ATOM 0 HB VAL A 14 2.822 2.214 3.310 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.351 2.904 5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.388 4.281 4.485 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.998 4.058 5.574 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.832 0.999 5.207 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.415 2.075 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.762 0.989 3.785 1.00 0.00 H new ATOM 186 N TRP A 15 -0.434 2.016 2.111 1.00 0.00 N ATOM 187 CA TRP A 15 -1.048 1.161 1.102 1.00 0.00 C ATOM 188 C TRP A 15 -1.437 1.967 -0.132 1.00 0.00 C ATOM 189 O TRP A 15 -2.008 3.053 -0.023 1.00 0.00 O ATOM 190 CB TRP A 15 -2.281 0.462 1.679 1.00 0.00 C ATOM 191 CG TRP A 15 -1.956 -0.801 2.417 1.00 0.00 C ATOM 192 CD1 TRP A 15 -1.690 -0.926 3.751 1.00 0.00 C ATOM 193 CD2 TRP A 15 -1.862 -2.118 1.862 1.00 0.00 C ATOM 194 NE1 TRP A 15 -1.436 -2.241 4.059 1.00 0.00 N ATOM 195 CE2 TRP A 15 -1.536 -2.992 2.918 1.00 0.00 C ATOM 196 CE3 TRP A 15 -2.023 -2.644 0.578 1.00 0.00 C ATOM 197 CZ2 TRP A 15 -1.367 -4.361 2.725 1.00 0.00 C ATOM 198 CZ3 TRP A 15 -1.855 -4.002 0.388 1.00 0.00 C ATOM 199 CH2 TRP A 15 -1.531 -4.848 1.457 1.00 0.00 C ATOM 0 H TRP A 15 -0.909 2.012 3.013 1.00 0.00 H new ATOM 0 HA TRP A 15 -0.317 0.409 0.805 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -2.796 1.146 2.353 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -2.973 0.233 0.868 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -1.681 -0.111 4.460 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -1.210 -2.600 4.987 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -2.274 -2.000 -0.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -1.115 -5.015 3.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -1.975 -4.419 -0.601 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -1.408 -5.906 1.276 1.00 0.00 H new ATOM 210 N THR A 16 -1.124 1.431 -1.307 1.00 0.00 N ATOM 211 CA THR A 16 -1.439 2.101 -2.562 1.00 0.00 C ATOM 212 C THR A 16 -2.264 1.201 -3.475 1.00 0.00 C ATOM 213 O THR A 16 -2.302 -0.016 -3.292 1.00 0.00 O ATOM 214 CB THR A 16 -0.161 2.533 -3.306 1.00 0.00 C ATOM 215 OG1 THR A 16 0.658 1.390 -3.577 1.00 0.00 O ATOM 216 CG2 THR A 16 0.626 3.543 -2.486 1.00 0.00 C ATOM 0 H THR A 16 -0.652 0.533 -1.416 1.00 0.00 H new ATOM 0 HA THR A 16 -2.020 2.988 -2.308 1.00 0.00 H new ATOM 0 HB THR A 16 -0.454 3.001 -4.246 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.192 1.175 -2.784 1.00 0.00 H new ATOM 0 HG21 THR A 16 1.524 3.834 -3.031 1.00 0.00 H new ATOM 0 HG22 THR A 16 0.010 4.424 -2.305 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.909 3.096 -1.533 1.00 0.00 H new ATOM 224 N ASP A 17 -2.923 1.806 -4.457 1.00 0.00 N ATOM 225 CA ASP A 17 -3.747 1.056 -5.399 1.00 0.00 C ATOM 226 C ASP A 17 -2.945 -0.065 -6.049 1.00 0.00 C ATOM 227 O ASP A 17 -3.438 -1.182 -6.210 1.00 0.00 O ATOM 228 CB ASP A 17 -4.305 1.990 -6.475 1.00 0.00 C ATOM 229 CG ASP A 17 -4.643 1.259 -7.758 1.00 0.00 C ATOM 230 OD1 ASP A 17 -3.718 1.006 -8.558 1.00 0.00 O ATOM 231 OD2 ASP A 17 -5.833 0.938 -7.963 1.00 0.00 O ATOM 0 H ASP A 17 -2.903 2.812 -4.622 1.00 0.00 H new ATOM 0 HA ASP A 17 -4.576 0.612 -4.847 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -5.200 2.483 -6.095 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.576 2.772 -6.687 1.00 0.00 H new ATOM 236 N HIS A 18 -1.706 0.239 -6.423 1.00 0.00 N ATOM 237 CA HIS A 18 -0.835 -0.745 -7.057 1.00 0.00 C ATOM 238 C HIS A 18 -0.783 -2.032 -6.238 1.00 0.00 C ATOM 239 O HIS A 18 -1.063 -3.115 -6.750 1.00 0.00 O ATOM 240 CB HIS A 18 0.574 -0.177 -7.225 1.00 0.00 C ATOM 241 CG HIS A 18 0.639 1.003 -8.145 1.00 0.00 C ATOM 242 ND1 HIS A 18 1.148 2.227 -7.765 1.00 0.00 N ATOM 243 CD2 HIS A 18 0.255 1.141 -9.436 1.00 0.00 C ATOM 244 CE1 HIS A 18 1.074 3.067 -8.782 1.00 0.00 C ATOM 245 NE2 HIS A 18 0.536 2.432 -9.808 1.00 0.00 N ATOM 0 H HIS A 18 -1.283 1.159 -6.298 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.245 -0.977 -8.040 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.959 0.114 -6.247 1.00 0.00 H new ATOM 0 HB3 HIS A 18 1.230 -0.960 -7.605 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -0.190 0.378 -10.057 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.398 4.097 -8.776 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.358 2.836 -10.728 1.00 0.00 H new ATOM 253 N GLU A 19 -0.422 -1.904 -4.965 1.00 0.00 N ATOM 254 CA GLU A 19 -0.333 -3.057 -4.077 1.00 0.00 C ATOM 255 C GLU A 19 -1.664 -3.801 -4.015 1.00 0.00 C ATOM 256 O GLU A 19 -1.736 -4.994 -4.308 1.00 0.00 O ATOM 257 CB GLU A 19 0.084 -2.616 -2.673 1.00 0.00 C ATOM 258 CG GLU A 19 1.589 -2.574 -2.469 1.00 0.00 C ATOM 259 CD GLU A 19 2.227 -1.345 -3.087 1.00 0.00 C ATOM 260 OE1 GLU A 19 2.163 -1.204 -4.327 1.00 0.00 O ATOM 261 OE2 GLU A 19 2.790 -0.525 -2.333 1.00 0.00 O ATOM 0 H GLU A 19 -0.187 -1.014 -4.526 1.00 0.00 H new ATOM 0 HA GLU A 19 0.422 -3.734 -4.477 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -0.329 -1.627 -2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.354 -3.296 -1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.808 -2.595 -1.401 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.036 -3.468 -2.903 1.00 0.00 H new ATOM 268 N LYS A 20 -2.716 -3.086 -3.632 1.00 0.00 N ATOM 269 CA LYS A 20 -4.046 -3.676 -3.531 1.00 0.00 C ATOM 270 C LYS A 20 -4.283 -4.681 -4.654 1.00 0.00 C ATOM 271 O LYS A 20 -4.653 -5.827 -4.405 1.00 0.00 O ATOM 272 CB LYS A 20 -5.116 -2.582 -3.576 1.00 0.00 C ATOM 273 CG LYS A 20 -5.018 -1.589 -2.432 1.00 0.00 C ATOM 274 CD LYS A 20 -6.144 -0.569 -2.482 1.00 0.00 C ATOM 275 CE LYS A 20 -6.168 0.296 -1.231 1.00 0.00 C ATOM 276 NZ LYS A 20 -4.981 1.192 -1.152 1.00 0.00 N ATOM 0 H LYS A 20 -2.674 -2.097 -3.386 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.112 -4.201 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -5.035 -2.044 -4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -6.101 -3.048 -3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -5.051 -2.122 -1.482 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.058 -1.075 -2.476 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.024 0.064 -3.361 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -7.099 -1.084 -2.588 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.077 0.897 -1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -6.200 -0.343 -0.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.035 1.765 -0.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -4.114 0.618 -1.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -4.964 1.820 -1.981 1.00 0.00 H new ATOM 290 N GLU A 21 -4.065 -4.241 -5.890 1.00 0.00 N ATOM 291 CA GLU A 21 -4.254 -5.103 -7.051 1.00 0.00 C ATOM 292 C GLU A 21 -3.728 -6.510 -6.776 1.00 0.00 C ATOM 293 O GLU A 21 -4.477 -7.485 -6.830 1.00 0.00 O ATOM 294 CB GLU A 21 -3.548 -4.513 -8.273 1.00 0.00 C ATOM 295 CG GLU A 21 -4.205 -3.250 -8.805 1.00 0.00 C ATOM 296 CD GLU A 21 -3.605 -2.788 -10.118 1.00 0.00 C ATOM 297 OE1 GLU A 21 -2.502 -2.202 -10.092 1.00 0.00 O ATOM 298 OE2 GLU A 21 -4.237 -3.013 -11.171 1.00 0.00 O ATOM 0 H GLU A 21 -3.758 -3.294 -6.113 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.323 -5.166 -7.254 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.513 -4.292 -8.012 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.524 -5.261 -9.065 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -5.272 -3.429 -8.941 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.107 -2.455 -8.066 1.00 0.00 H new ATOM 305 N ILE A 22 -2.436 -6.604 -6.481 1.00 0.00 N ATOM 306 CA ILE A 22 -1.810 -7.890 -6.197 1.00 0.00 C ATOM 307 C ILE A 22 -2.561 -8.636 -5.100 1.00 0.00 C ATOM 308 O ILE A 22 -2.990 -9.774 -5.291 1.00 0.00 O ATOM 309 CB ILE A 22 -0.339 -7.717 -5.772 1.00 0.00 C ATOM 310 CG1 ILE A 22 0.470 -7.081 -6.904 1.00 0.00 C ATOM 311 CG2 ILE A 22 0.257 -9.059 -5.376 1.00 0.00 C ATOM 312 CD1 ILE A 22 0.484 -5.569 -6.862 1.00 0.00 C ATOM 0 H ILE A 22 -1.803 -5.806 -6.432 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.848 -8.471 -7.118 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.300 -7.054 -4.907 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.496 -7.447 -6.857 1.00 0.00 H new ATOM 0 HG13 ILE A 22 0.059 -7.406 -7.860 1.00 0.00 H new ATOM 0 HG21 ILE A 22 1.296 -8.922 -5.078 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -0.308 -9.476 -4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.210 -9.742 -6.224 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.076 -5.187 -7.694 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -0.536 -5.193 -6.940 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.922 -5.235 -5.921 1.00 0.00 H new ATOM 324 N PHE A 23 -2.718 -7.987 -3.951 1.00 0.00 N ATOM 325 CA PHE A 23 -3.418 -8.590 -2.823 1.00 0.00 C ATOM 326 C PHE A 23 -4.638 -9.375 -3.296 1.00 0.00 C ATOM 327 O PHE A 23 -4.782 -10.561 -2.999 1.00 0.00 O ATOM 328 CB PHE A 23 -3.846 -7.510 -1.826 1.00 0.00 C ATOM 329 CG PHE A 23 -4.131 -8.043 -0.451 1.00 0.00 C ATOM 330 CD1 PHE A 23 -3.094 -8.361 0.412 1.00 0.00 C ATOM 331 CD2 PHE A 23 -5.435 -8.227 -0.022 1.00 0.00 C ATOM 332 CE1 PHE A 23 -3.353 -8.851 1.678 1.00 0.00 C ATOM 333 CE2 PHE A 23 -5.700 -8.716 1.243 1.00 0.00 C ATOM 334 CZ PHE A 23 -4.658 -9.030 2.094 1.00 0.00 C ATOM 0 H PHE A 23 -2.370 -7.044 -3.777 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.734 -9.280 -2.329 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.061 -6.757 -1.759 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -4.737 -7.009 -2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.072 -8.224 0.091 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -6.254 -7.986 -0.684 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.536 -9.094 2.341 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.721 -8.853 1.566 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.863 -9.414 3.082 1.00 0.00 H new ATOM 344 N LYS A 24 -5.516 -8.702 -4.033 1.00 0.00 N ATOM 345 CA LYS A 24 -6.725 -9.334 -4.549 1.00 0.00 C ATOM 346 C LYS A 24 -6.379 -10.491 -5.481 1.00 0.00 C ATOM 347 O LYS A 24 -6.803 -11.625 -5.261 1.00 0.00 O ATOM 348 CB LYS A 24 -7.585 -8.307 -5.290 1.00 0.00 C ATOM 349 CG LYS A 24 -8.765 -8.920 -6.024 1.00 0.00 C ATOM 350 CD LYS A 24 -9.926 -9.196 -5.082 1.00 0.00 C ATOM 351 CE LYS A 24 -10.824 -7.978 -4.934 1.00 0.00 C ATOM 352 NZ LYS A 24 -11.976 -8.246 -4.028 1.00 0.00 N ATOM 0 H LYS A 24 -5.413 -7.719 -4.286 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.288 -9.728 -3.703 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.954 -7.571 -4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.961 -7.771 -6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -9.091 -8.247 -6.817 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.454 -9.849 -6.502 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.510 -10.036 -5.458 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.542 -9.487 -4.104 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -10.242 -7.143 -4.544 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -11.195 -7.679 -5.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -12.565 -7.392 -3.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -12.546 -9.026 -4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -11.623 -8.507 -3.085 1.00 0.00 H new ATOM 366 N ASP A 25 -5.606 -10.196 -6.520 1.00 0.00 N ATOM 367 CA ASP A 25 -5.201 -11.212 -7.484 1.00 0.00 C ATOM 368 C ASP A 25 -4.774 -12.495 -6.775 1.00 0.00 C ATOM 369 O ASP A 25 -5.145 -13.595 -7.182 1.00 0.00 O ATOM 370 CB ASP A 25 -4.057 -10.693 -8.356 1.00 0.00 C ATOM 371 CG ASP A 25 -3.595 -11.714 -9.376 1.00 0.00 C ATOM 372 OD1 ASP A 25 -3.638 -12.924 -9.066 1.00 0.00 O ATOM 373 OD2 ASP A 25 -3.192 -11.306 -10.484 1.00 0.00 O ATOM 0 H ASP A 25 -5.247 -9.262 -6.716 1.00 0.00 H new ATOM 0 HA ASP A 25 -6.058 -11.436 -8.119 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -4.379 -9.789 -8.872 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.217 -10.414 -7.720 1.00 0.00 H new ATOM 378 N LYS A 26 -3.990 -12.344 -5.712 1.00 0.00 N ATOM 379 CA LYS A 26 -3.512 -13.488 -4.946 1.00 0.00 C ATOM 380 C LYS A 26 -4.658 -14.156 -4.194 1.00 0.00 C ATOM 381 O LYS A 26 -4.828 -15.375 -4.255 1.00 0.00 O ATOM 382 CB LYS A 26 -2.428 -13.049 -3.959 1.00 0.00 C ATOM 383 CG LYS A 26 -1.349 -12.184 -4.586 1.00 0.00 C ATOM 384 CD LYS A 26 -0.203 -13.023 -5.124 1.00 0.00 C ATOM 385 CE LYS A 26 -0.446 -13.439 -6.567 1.00 0.00 C ATOM 386 NZ LYS A 26 0.021 -12.403 -7.529 1.00 0.00 N ATOM 0 H LYS A 26 -3.673 -11.440 -5.362 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.089 -14.210 -5.644 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.894 -12.498 -3.142 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.965 -13.934 -3.524 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.779 -11.593 -5.395 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.969 -11.481 -3.845 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.726 -12.456 -5.059 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.079 -13.911 -4.504 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.070 -14.378 -6.766 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.510 -13.622 -6.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.162 -12.724 -8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.489 -11.514 -7.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.041 -12.247 -7.403 1.00 0.00 H new ATOM 400 N PHE A 27 -5.444 -13.352 -3.485 1.00 0.00 N ATOM 401 CA PHE A 27 -6.575 -13.866 -2.722 1.00 0.00 C ATOM 402 C PHE A 27 -7.438 -14.786 -3.581 1.00 0.00 C ATOM 403 O PHE A 27 -7.851 -15.859 -3.139 1.00 0.00 O ATOM 404 CB PHE A 27 -7.421 -12.712 -2.182 1.00 0.00 C ATOM 405 CG PHE A 27 -8.445 -13.141 -1.171 1.00 0.00 C ATOM 406 CD1 PHE A 27 -8.081 -13.384 0.143 1.00 0.00 C ATOM 407 CD2 PHE A 27 -9.773 -13.299 -1.535 1.00 0.00 C ATOM 408 CE1 PHE A 27 -9.022 -13.778 1.077 1.00 0.00 C ATOM 409 CE2 PHE A 27 -10.718 -13.693 -0.606 1.00 0.00 C ATOM 410 CZ PHE A 27 -10.341 -13.934 0.701 1.00 0.00 C ATOM 0 H PHE A 27 -5.318 -12.342 -3.423 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.183 -14.442 -1.884 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.763 -11.971 -1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -7.927 -12.222 -3.014 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -7.050 -13.264 0.442 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -10.073 -13.112 -2.556 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -8.725 -13.963 2.099 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -11.750 -13.812 -0.902 1.00 0.00 H new ATOM 0 HZ PHE A 27 -11.077 -14.244 1.428 1.00 0.00 H new ATOM 420 N ILE A 28 -7.707 -14.358 -4.809 1.00 0.00 N ATOM 421 CA ILE A 28 -8.520 -15.141 -5.730 1.00 0.00 C ATOM 422 C ILE A 28 -7.943 -16.541 -5.920 1.00 0.00 C ATOM 423 O ILE A 28 -8.659 -17.473 -6.281 1.00 0.00 O ATOM 424 CB ILE A 28 -8.635 -14.455 -7.104 1.00 0.00 C ATOM 425 CG1 ILE A 28 -9.376 -13.122 -6.973 1.00 0.00 C ATOM 426 CG2 ILE A 28 -9.345 -15.366 -8.094 1.00 0.00 C ATOM 427 CD1 ILE A 28 -9.067 -12.148 -8.087 1.00 0.00 C ATOM 0 H ILE A 28 -7.373 -13.472 -5.189 1.00 0.00 H new ATOM 0 HA ILE A 28 -9.513 -15.217 -5.287 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.631 -14.256 -7.479 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -10.449 -13.312 -6.955 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -9.117 -12.664 -6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -9.418 -14.867 -9.060 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -8.781 -16.292 -8.206 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -10.346 -15.593 -7.726 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -9.627 -11.226 -7.930 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.999 -11.928 -8.092 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.352 -12.587 -9.043 1.00 0.00 H new ATOM 439 N GLN A 29 -6.644 -16.677 -5.672 1.00 0.00 N ATOM 440 CA GLN A 29 -5.971 -17.962 -5.815 1.00 0.00 C ATOM 441 C GLN A 29 -5.736 -18.608 -4.453 1.00 0.00 C ATOM 442 O GLN A 29 -6.283 -19.670 -4.155 1.00 0.00 O ATOM 443 CB GLN A 29 -4.639 -17.785 -6.545 1.00 0.00 C ATOM 444 CG GLN A 29 -3.550 -18.730 -6.063 1.00 0.00 C ATOM 445 CD GLN A 29 -2.493 -18.990 -7.118 1.00 0.00 C ATOM 446 OE1 GLN A 29 -2.527 -18.410 -8.204 1.00 0.00 O ATOM 447 NE2 GLN A 29 -1.544 -19.865 -6.804 1.00 0.00 N ATOM 0 H GLN A 29 -6.038 -15.914 -5.371 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.615 -18.618 -6.402 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.796 -17.940 -7.612 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.299 -16.757 -6.418 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.076 -18.310 -5.176 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.001 -19.677 -5.765 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.554 -20.323 -5.893 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.806 -20.079 -7.474 1.00 0.00 H new ATOM 456 N HIS A 30 -4.918 -17.958 -3.629 1.00 0.00 N ATOM 457 CA HIS A 30 -4.610 -18.469 -2.298 1.00 0.00 C ATOM 458 C HIS A 30 -5.250 -17.598 -1.221 1.00 0.00 C ATOM 459 O HIS A 30 -4.595 -16.769 -0.590 1.00 0.00 O ATOM 460 CB HIS A 30 -3.097 -18.530 -2.089 1.00 0.00 C ATOM 461 CG HIS A 30 -2.478 -19.809 -2.563 1.00 0.00 C ATOM 462 ND1 HIS A 30 -1.252 -19.864 -3.192 1.00 0.00 N ATOM 463 CD2 HIS A 30 -2.921 -21.086 -2.496 1.00 0.00 C ATOM 464 CE1 HIS A 30 -0.969 -21.118 -3.492 1.00 0.00 C ATOM 465 NE2 HIS A 30 -1.966 -21.881 -3.080 1.00 0.00 N ATOM 0 H HIS A 30 -4.458 -17.078 -3.860 1.00 0.00 H new ATOM 0 HA HIS A 30 -5.020 -19.476 -2.218 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -2.632 -17.695 -2.613 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -2.879 -18.402 -1.029 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -3.853 -21.418 -2.063 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -0.074 -21.462 -3.990 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -2.018 -22.895 -3.180 1.00 0.00 H new ATOM 473 N PRO A 31 -6.560 -17.791 -1.005 1.00 0.00 N ATOM 474 CA PRO A 31 -7.316 -17.031 -0.004 1.00 0.00 C ATOM 475 C PRO A 31 -6.926 -17.403 1.422 1.00 0.00 C ATOM 476 O PRO A 31 -6.591 -18.555 1.705 1.00 0.00 O ATOM 477 CB PRO A 31 -8.769 -17.427 -0.283 1.00 0.00 C ATOM 478 CG PRO A 31 -8.679 -18.769 -0.925 1.00 0.00 C ATOM 479 CD PRO A 31 -7.403 -18.763 -1.720 1.00 0.00 C ATOM 0 HA PRO A 31 -7.130 -15.960 -0.078 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -9.352 -17.467 0.637 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -9.257 -16.706 -0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.668 -19.560 -0.175 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -9.539 -18.952 -1.569 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -6.942 -19.750 -1.748 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.575 -18.462 -2.753 1.00 0.00 H new ATOM 487 N LYS A 32 -6.973 -16.424 2.318 1.00 0.00 N ATOM 488 CA LYS A 32 -6.627 -16.648 3.716 1.00 0.00 C ATOM 489 C LYS A 32 -5.207 -17.191 3.845 1.00 0.00 C ATOM 490 O LYS A 32 -4.942 -18.075 4.659 1.00 0.00 O ATOM 491 CB LYS A 32 -7.617 -17.622 4.359 1.00 0.00 C ATOM 492 CG LYS A 32 -9.049 -17.118 4.366 1.00 0.00 C ATOM 493 CD LYS A 32 -9.889 -17.840 5.406 1.00 0.00 C ATOM 494 CE LYS A 32 -10.522 -19.099 4.835 1.00 0.00 C ATOM 495 NZ LYS A 32 -11.602 -19.625 5.716 1.00 0.00 N ATOM 0 H LYS A 32 -7.248 -15.466 2.101 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.680 -15.691 4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.578 -18.572 3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.305 -17.819 5.385 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.058 -16.047 4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.490 -17.259 3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.266 -18.101 6.261 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.670 -17.173 5.772 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.931 -18.884 3.848 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.756 -19.863 4.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.008 -20.483 5.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.207 -19.854 6.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -12.346 -18.905 5.821 1.00 0.00 H new ATOM 509 N ASN A 33 -4.298 -16.654 3.037 1.00 0.00 N ATOM 510 CA ASN A 33 -2.905 -17.085 3.062 1.00 0.00 C ATOM 511 C ASN A 33 -1.969 -15.891 3.224 1.00 0.00 C ATOM 512 O ASN A 33 -0.929 -15.811 2.570 1.00 0.00 O ATOM 513 CB ASN A 33 -2.561 -17.846 1.779 1.00 0.00 C ATOM 514 CG ASN A 33 -1.370 -18.767 1.955 1.00 0.00 C ATOM 515 OD1 ASN A 33 -0.704 -18.749 2.990 1.00 0.00 O ATOM 516 ND2 ASN A 33 -1.095 -19.580 0.941 1.00 0.00 N ATOM 0 H ASN A 33 -4.501 -15.921 2.358 1.00 0.00 H new ATOM 0 HA ASN A 33 -2.771 -17.748 3.917 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.425 -18.430 1.464 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -2.351 -17.133 0.982 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -0.305 -20.223 1.002 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.674 -19.562 0.101 1.00 0.00 H new ATOM 523 N PHE A 34 -2.346 -14.965 4.100 1.00 0.00 N ATOM 524 CA PHE A 34 -1.541 -13.776 4.349 1.00 0.00 C ATOM 525 C PHE A 34 -0.055 -14.118 4.371 1.00 0.00 C ATOM 526 O PHE A 34 0.765 -13.415 3.781 1.00 0.00 O ATOM 527 CB PHE A 34 -1.946 -13.127 5.675 1.00 0.00 C ATOM 528 CG PHE A 34 -3.406 -12.785 5.752 1.00 0.00 C ATOM 529 CD1 PHE A 34 -3.939 -11.781 4.958 1.00 0.00 C ATOM 530 CD2 PHE A 34 -4.246 -13.462 6.621 1.00 0.00 C ATOM 531 CE1 PHE A 34 -5.282 -11.464 5.026 1.00 0.00 C ATOM 532 CE2 PHE A 34 -5.590 -13.149 6.694 1.00 0.00 C ATOM 533 CZ PHE A 34 -6.109 -12.148 5.896 1.00 0.00 C ATOM 0 H PHE A 34 -3.204 -15.016 4.649 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.721 -13.071 3.537 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.695 -13.803 6.493 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -1.360 -12.219 5.820 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -3.297 -11.240 4.278 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.846 -14.244 7.249 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.685 -10.682 4.400 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -6.234 -13.686 7.374 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.159 -11.901 5.952 1.00 0.00 H new ATOM 543 N GLY A 35 0.286 -15.205 5.056 1.00 0.00 N ATOM 544 CA GLY A 35 1.673 -15.623 5.143 1.00 0.00 C ATOM 545 C GLY A 35 2.333 -15.729 3.783 1.00 0.00 C ATOM 546 O GLY A 35 3.488 -15.335 3.614 1.00 0.00 O ATOM 0 H GLY A 35 -0.374 -15.804 5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.226 -14.912 5.757 1.00 0.00 H new ATOM 0 HA3 GLY A 35 1.727 -16.588 5.646 1.00 0.00 H new ATOM 550 N LEU A 36 1.601 -16.262 2.811 1.00 0.00 N ATOM 551 CA LEU A 36 2.124 -16.420 1.459 1.00 0.00 C ATOM 552 C LEU A 36 2.037 -15.108 0.685 1.00 0.00 C ATOM 553 O LEU A 36 3.056 -14.538 0.293 1.00 0.00 O ATOM 554 CB LEU A 36 1.353 -17.514 0.717 1.00 0.00 C ATOM 555 CG LEU A 36 1.771 -17.764 -0.732 1.00 0.00 C ATOM 556 CD1 LEU A 36 2.894 -18.786 -0.796 1.00 0.00 C ATOM 557 CD2 LEU A 36 0.579 -18.226 -1.558 1.00 0.00 C ATOM 0 H LEU A 36 0.644 -16.592 2.934 1.00 0.00 H new ATOM 0 HA LEU A 36 3.172 -16.709 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.461 -18.446 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.294 -17.256 0.729 1.00 0.00 H new ATOM 0 HG LEU A 36 2.137 -16.827 -1.151 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.178 -18.950 -1.836 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.755 -18.416 -0.239 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.556 -19.726 -0.359 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.895 -18.399 -2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.183 -19.151 -1.139 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.195 -17.459 -1.540 1.00 0.00 H new ATOM 569 N ILE A 37 0.815 -14.632 0.472 1.00 0.00 N ATOM 570 CA ILE A 37 0.596 -13.385 -0.251 1.00 0.00 C ATOM 571 C ILE A 37 1.621 -12.330 0.150 1.00 0.00 C ATOM 572 O ILE A 37 2.134 -11.595 -0.693 1.00 0.00 O ATOM 573 CB ILE A 37 -0.819 -12.832 -0.003 1.00 0.00 C ATOM 574 CG1 ILE A 37 -1.873 -13.839 -0.464 1.00 0.00 C ATOM 575 CG2 ILE A 37 -1.001 -11.502 -0.719 1.00 0.00 C ATOM 576 CD1 ILE A 37 -3.274 -13.503 -0.003 1.00 0.00 C ATOM 0 H ILE A 37 -0.039 -15.091 0.790 1.00 0.00 H new ATOM 0 HA ILE A 37 0.707 -13.611 -1.312 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.945 -12.667 1.067 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -1.861 -13.892 -1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -1.605 -14.828 -0.093 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.006 -11.124 -0.534 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -0.269 -10.785 -0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.858 -11.643 -1.790 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.968 -14.260 -0.367 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.302 -13.478 1.086 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.562 -12.528 -0.396 1.00 0.00 H new ATOM 588 N ALA A 38 1.915 -12.260 1.445 1.00 0.00 N ATOM 589 CA ALA A 38 2.881 -11.299 1.958 1.00 0.00 C ATOM 590 C ALA A 38 4.260 -11.525 1.348 1.00 0.00 C ATOM 591 O ALA A 38 4.908 -10.587 0.886 1.00 0.00 O ATOM 592 CB ALA A 38 2.953 -11.380 3.476 1.00 0.00 C ATOM 0 H ALA A 38 1.497 -12.859 2.157 1.00 0.00 H new ATOM 0 HA ALA A 38 2.547 -10.301 1.674 1.00 0.00 H new ATOM 0 HB1 ALA A 38 3.679 -10.656 3.845 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.973 -11.159 3.899 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.258 -12.383 3.773 1.00 0.00 H new ATOM 598 N SER A 39 4.704 -12.778 1.352 1.00 0.00 N ATOM 599 CA SER A 39 6.009 -13.129 0.803 1.00 0.00 C ATOM 600 C SER A 39 6.254 -12.408 -0.519 1.00 0.00 C ATOM 601 O SER A 39 7.338 -11.875 -0.757 1.00 0.00 O ATOM 602 CB SER A 39 6.109 -14.641 0.597 1.00 0.00 C ATOM 603 OG SER A 39 7.322 -14.990 -0.048 1.00 0.00 O ATOM 0 H SER A 39 4.179 -13.567 1.729 1.00 0.00 H new ATOM 0 HA SER A 39 6.772 -12.815 1.516 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.047 -15.147 1.560 1.00 0.00 H new ATOM 0 HB3 SER A 39 5.264 -14.986 0.001 1.00 0.00 H new ATOM 0 HG SER A 39 7.362 -15.962 -0.166 1.00 0.00 H new ATOM 609 N TYR A 40 5.238 -12.394 -1.375 1.00 0.00 N ATOM 610 CA TYR A 40 5.343 -11.740 -2.675 1.00 0.00 C ATOM 611 C TYR A 40 5.508 -10.233 -2.514 1.00 0.00 C ATOM 612 O TYR A 40 6.403 -9.628 -3.106 1.00 0.00 O ATOM 613 CB TYR A 40 4.105 -12.042 -3.521 1.00 0.00 C ATOM 614 CG TYR A 40 4.054 -13.462 -4.036 1.00 0.00 C ATOM 615 CD1 TYR A 40 4.908 -13.885 -5.048 1.00 0.00 C ATOM 616 CD2 TYR A 40 3.153 -14.380 -3.512 1.00 0.00 C ATOM 617 CE1 TYR A 40 4.865 -15.182 -5.522 1.00 0.00 C ATOM 618 CE2 TYR A 40 3.104 -15.679 -3.979 1.00 0.00 C ATOM 619 CZ TYR A 40 3.962 -16.076 -4.984 1.00 0.00 C ATOM 620 OH TYR A 40 3.915 -17.368 -5.453 1.00 0.00 O ATOM 0 H TYR A 40 4.333 -12.828 -1.193 1.00 0.00 H new ATOM 0 HA TYR A 40 6.225 -12.131 -3.181 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.213 -11.848 -2.926 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.078 -11.356 -4.368 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.617 -13.188 -5.471 1.00 0.00 H new ATOM 0 HD2 TYR A 40 2.479 -14.073 -2.726 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.535 -15.495 -6.310 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.398 -16.380 -3.560 1.00 0.00 H new ATOM 0 HH TYR A 40 3.226 -17.867 -4.968 1.00 0.00 H new ATOM 630 N LEU A 41 4.640 -9.632 -1.707 1.00 0.00 N ATOM 631 CA LEU A 41 4.689 -8.194 -1.466 1.00 0.00 C ATOM 632 C LEU A 41 5.701 -7.859 -0.375 1.00 0.00 C ATOM 633 O LEU A 41 5.386 -7.913 0.814 1.00 0.00 O ATOM 634 CB LEU A 41 3.305 -7.675 -1.071 1.00 0.00 C ATOM 635 CG LEU A 41 2.189 -7.894 -2.093 1.00 0.00 C ATOM 636 CD1 LEU A 41 0.826 -7.720 -1.441 1.00 0.00 C ATOM 637 CD2 LEU A 41 2.347 -6.940 -3.268 1.00 0.00 C ATOM 0 H LEU A 41 3.894 -10.118 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 41 5.003 -7.707 -2.389 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.013 -8.153 -0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.383 -6.606 -0.872 1.00 0.00 H new ATOM 0 HG LEU A 41 2.261 -8.915 -2.468 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.044 -7.880 -2.184 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.713 -8.444 -0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.742 -6.711 -1.037 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.544 -7.110 -3.985 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.302 -5.911 -2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.308 -7.114 -3.751 1.00 0.00 H new ATOM 649 N GLU A 42 6.915 -7.510 -0.788 1.00 0.00 N ATOM 650 CA GLU A 42 7.972 -7.163 0.155 1.00 0.00 C ATOM 651 C GLU A 42 7.614 -5.901 0.935 1.00 0.00 C ATOM 652 O GLU A 42 7.857 -5.813 2.139 1.00 0.00 O ATOM 653 CB GLU A 42 9.298 -6.961 -0.581 1.00 0.00 C ATOM 654 CG GLU A 42 9.228 -5.922 -1.687 1.00 0.00 C ATOM 655 CD GLU A 42 10.599 -5.468 -2.149 1.00 0.00 C ATOM 656 OE1 GLU A 42 11.269 -6.238 -2.867 1.00 0.00 O ATOM 657 OE2 GLU A 42 11.001 -4.341 -1.791 1.00 0.00 O ATOM 0 H GLU A 42 7.191 -7.460 -1.769 1.00 0.00 H new ATOM 0 HA GLU A 42 8.078 -7.987 0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 42 10.061 -6.663 0.138 1.00 0.00 H new ATOM 0 HB3 GLU A 42 9.616 -7.912 -1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 42 8.682 -6.336 -2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 42 8.663 -5.059 -1.334 1.00 0.00 H new ATOM 664 N ARG A 43 7.036 -4.927 0.240 1.00 0.00 N ATOM 665 CA ARG A 43 6.646 -3.669 0.866 1.00 0.00 C ATOM 666 C ARG A 43 5.933 -3.920 2.192 1.00 0.00 C ATOM 667 O ARG A 43 6.264 -3.315 3.212 1.00 0.00 O ATOM 668 CB ARG A 43 5.739 -2.869 -0.070 1.00 0.00 C ATOM 669 CG ARG A 43 5.889 -1.364 0.077 1.00 0.00 C ATOM 670 CD ARG A 43 6.991 -0.823 -0.820 1.00 0.00 C ATOM 671 NE ARG A 43 6.839 0.608 -1.072 1.00 0.00 N ATOM 672 CZ ARG A 43 7.528 1.269 -1.995 1.00 0.00 C ATOM 673 NH1 ARG A 43 8.411 0.631 -2.751 1.00 0.00 N ATOM 674 NH2 ARG A 43 7.333 2.569 -2.165 1.00 0.00 N ATOM 0 H ARG A 43 6.827 -4.985 -0.757 1.00 0.00 H new ATOM 0 HA ARG A 43 7.551 -3.094 1.063 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.957 -3.149 -1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.701 -3.143 0.121 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.945 -0.878 -0.170 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.111 -1.119 1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.960 -1.008 -0.356 1.00 0.00 H new ATOM 0 HD3 ARG A 43 6.983 -1.361 -1.768 1.00 0.00 H new ATOM 0 HE ARG A 43 6.167 1.128 -0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.562 -0.370 -2.624 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.939 1.141 -3.459 1.00 0.00 H new ATOM 0 HH21 ARG A 43 6.653 3.063 -1.587 1.00 0.00 H new ATOM 0 HH22 ARG A 43 7.863 3.076 -2.874 1.00 0.00 H new ATOM 688 N LYS A 44 4.952 -4.816 2.170 1.00 0.00 N ATOM 689 CA LYS A 44 4.192 -5.148 3.368 1.00 0.00 C ATOM 690 C LYS A 44 4.685 -6.455 3.981 1.00 0.00 C ATOM 691 O LYS A 44 5.659 -7.044 3.510 1.00 0.00 O ATOM 692 CB LYS A 44 2.702 -5.259 3.038 1.00 0.00 C ATOM 693 CG LYS A 44 1.948 -3.948 3.181 1.00 0.00 C ATOM 694 CD LYS A 44 2.665 -2.812 2.472 1.00 0.00 C ATOM 695 CE LYS A 44 2.178 -1.455 2.957 1.00 0.00 C ATOM 696 NZ LYS A 44 2.739 -1.109 4.292 1.00 0.00 N ATOM 0 H LYS A 44 4.665 -5.325 1.334 1.00 0.00 H new ATOM 0 HA LYS A 44 4.339 -4.348 4.093 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.591 -5.623 2.017 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.248 -6.003 3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.944 -4.058 2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.836 -3.705 4.238 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.738 -2.896 2.642 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.505 -2.894 1.397 1.00 0.00 H new ATOM 0 HE2 LYS A 44 2.460 -0.689 2.235 1.00 0.00 H new ATOM 0 HE3 LYS A 44 1.089 -1.458 3.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 1.963 -0.992 4.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.370 -1.872 4.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.276 -0.221 4.223 1.00 0.00 H new ATOM 710 N SER A 45 4.007 -6.905 5.033 1.00 0.00 N ATOM 711 CA SER A 45 4.379 -8.141 5.711 1.00 0.00 C ATOM 712 C SER A 45 3.139 -8.903 6.167 1.00 0.00 C ATOM 713 O SER A 45 2.010 -8.504 5.882 1.00 0.00 O ATOM 714 CB SER A 45 5.276 -7.838 6.913 1.00 0.00 C ATOM 715 OG SER A 45 6.365 -7.011 6.541 1.00 0.00 O ATOM 0 H SER A 45 3.197 -6.432 5.434 1.00 0.00 H new ATOM 0 HA SER A 45 4.928 -8.764 5.005 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.692 -7.347 7.692 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.651 -8.770 7.335 1.00 0.00 H new ATOM 0 HG SER A 45 6.922 -6.831 7.327 1.00 0.00 H new ATOM 721 N VAL A 46 3.358 -10.007 6.877 1.00 0.00 N ATOM 722 CA VAL A 46 2.260 -10.826 7.374 1.00 0.00 C ATOM 723 C VAL A 46 1.278 -9.993 8.191 1.00 0.00 C ATOM 724 O VAL A 46 0.090 -9.910 7.882 1.00 0.00 O ATOM 725 CB VAL A 46 2.776 -11.990 8.242 1.00 0.00 C ATOM 726 CG1 VAL A 46 1.777 -12.321 9.340 1.00 0.00 C ATOM 727 CG2 VAL A 46 3.060 -13.210 7.381 1.00 0.00 C ATOM 0 H VAL A 46 4.286 -10.353 7.120 1.00 0.00 H new ATOM 0 HA VAL A 46 1.748 -11.232 6.501 1.00 0.00 H new ATOM 0 HB VAL A 46 3.709 -11.683 8.715 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.159 -13.145 9.943 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.629 -11.446 9.973 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.826 -12.609 8.892 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.424 -14.023 8.010 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.144 -13.522 6.879 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.816 -12.962 6.636 1.00 0.00 H new ATOM 737 N PRO A 47 1.785 -9.361 9.260 1.00 0.00 N ATOM 738 CA PRO A 47 0.970 -8.523 10.143 1.00 0.00 C ATOM 739 C PRO A 47 0.525 -7.229 9.468 1.00 0.00 C ATOM 740 O PRO A 47 -0.636 -6.833 9.568 1.00 0.00 O ATOM 741 CB PRO A 47 1.912 -8.219 11.311 1.00 0.00 C ATOM 742 CG PRO A 47 3.281 -8.344 10.737 1.00 0.00 C ATOM 743 CD PRO A 47 3.193 -9.417 9.688 1.00 0.00 C ATOM 0 HA PRO A 47 0.047 -9.021 10.439 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.739 -7.219 11.709 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.762 -8.919 12.133 1.00 0.00 H new ATOM 0 HG2 PRO A 47 3.610 -7.400 10.303 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.005 -8.610 11.508 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.873 -9.225 8.858 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.452 -10.396 10.092 1.00 0.00 H new ATOM 751 N ASP A 48 1.455 -6.577 8.779 1.00 0.00 N ATOM 752 CA ASP A 48 1.158 -5.329 8.085 1.00 0.00 C ATOM 753 C ASP A 48 0.035 -5.526 7.071 1.00 0.00 C ATOM 754 O ASP A 48 -0.553 -4.558 6.587 1.00 0.00 O ATOM 755 CB ASP A 48 2.410 -4.801 7.382 1.00 0.00 C ATOM 756 CG ASP A 48 3.225 -3.878 8.267 1.00 0.00 C ATOM 757 OD1 ASP A 48 2.620 -3.161 9.091 1.00 0.00 O ATOM 758 OD2 ASP A 48 4.467 -3.873 8.136 1.00 0.00 O ATOM 0 H ASP A 48 2.421 -6.892 8.686 1.00 0.00 H new ATOM 0 HA ASP A 48 0.831 -4.599 8.825 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.030 -5.642 7.070 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.118 -4.268 6.477 1.00 0.00 H new ATOM 763 N CYS A 49 -0.255 -6.782 6.754 1.00 0.00 N ATOM 764 CA CYS A 49 -1.306 -7.106 5.796 1.00 0.00 C ATOM 765 C CYS A 49 -2.657 -7.231 6.493 1.00 0.00 C ATOM 766 O CYS A 49 -3.679 -6.777 5.976 1.00 0.00 O ATOM 767 CB CYS A 49 -0.975 -8.406 5.063 1.00 0.00 C ATOM 768 SG CYS A 49 -0.008 -8.177 3.552 1.00 0.00 S ATOM 0 H CYS A 49 0.223 -7.593 7.146 1.00 0.00 H new ATOM 0 HA CYS A 49 -1.365 -6.294 5.071 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.424 -9.061 5.738 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -1.905 -8.916 4.812 1.00 0.00 H new ATOM 0 HG CYS A 49 1.260 -8.208 3.839 1.00 0.00 H new ATOM 774 N VAL A 50 -2.656 -7.851 7.668 1.00 0.00 N ATOM 775 CA VAL A 50 -3.882 -8.036 8.436 1.00 0.00 C ATOM 776 C VAL A 50 -4.708 -6.755 8.470 1.00 0.00 C ATOM 777 O VAL A 50 -5.926 -6.785 8.287 1.00 0.00 O ATOM 778 CB VAL A 50 -3.578 -8.476 9.881 1.00 0.00 C ATOM 779 CG1 VAL A 50 -4.863 -8.594 10.685 1.00 0.00 C ATOM 780 CG2 VAL A 50 -2.813 -9.792 9.887 1.00 0.00 C ATOM 0 H VAL A 50 -1.820 -8.234 8.109 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.452 -8.820 7.937 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.953 -7.716 10.350 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -4.628 -8.906 11.703 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.367 -7.628 10.709 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.516 -9.333 10.221 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.607 -10.088 10.915 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.411 -10.563 9.401 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.873 -9.669 9.349 1.00 0.00 H new ATOM 790 N LEU A 51 -4.039 -5.632 8.705 1.00 0.00 N ATOM 791 CA LEU A 51 -4.712 -4.339 8.762 1.00 0.00 C ATOM 792 C LEU A 51 -5.654 -4.162 7.576 1.00 0.00 C ATOM 793 O LEU A 51 -6.851 -3.931 7.750 1.00 0.00 O ATOM 794 CB LEU A 51 -3.683 -3.207 8.782 1.00 0.00 C ATOM 795 CG LEU A 51 -3.103 -2.852 10.152 1.00 0.00 C ATOM 796 CD1 LEU A 51 -1.826 -2.041 9.997 1.00 0.00 C ATOM 797 CD2 LEU A 51 -4.124 -2.090 10.983 1.00 0.00 C ATOM 0 H LEU A 51 -3.032 -5.590 8.859 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.301 -4.304 9.679 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.860 -3.479 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.147 -2.314 8.363 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.860 -3.778 10.673 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.428 -1.798 10.982 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.090 -2.623 9.442 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.043 -1.120 9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.694 -1.846 11.954 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.400 -1.170 10.467 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.012 -2.707 11.124 1.00 0.00 H new ATOM 809 N TYR A 52 -5.108 -4.275 6.370 1.00 0.00 N ATOM 810 CA TYR A 52 -5.900 -4.128 5.155 1.00 0.00 C ATOM 811 C TYR A 52 -7.112 -5.053 5.180 1.00 0.00 C ATOM 812 O TYR A 52 -8.254 -4.602 5.082 1.00 0.00 O ATOM 813 CB TYR A 52 -5.043 -4.425 3.923 1.00 0.00 C ATOM 814 CG TYR A 52 -5.841 -4.550 2.646 1.00 0.00 C ATOM 815 CD1 TYR A 52 -6.484 -5.737 2.318 1.00 0.00 C ATOM 816 CD2 TYR A 52 -5.954 -3.480 1.766 1.00 0.00 C ATOM 817 CE1 TYR A 52 -7.214 -5.856 1.151 1.00 0.00 C ATOM 818 CE2 TYR A 52 -6.683 -3.589 0.598 1.00 0.00 C ATOM 819 CZ TYR A 52 -7.311 -4.780 0.295 1.00 0.00 C ATOM 820 OH TYR A 52 -8.038 -4.892 -0.868 1.00 0.00 O ATOM 0 H TYR A 52 -4.120 -4.468 6.208 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.253 -3.098 5.104 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.305 -3.631 3.804 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.492 -5.351 4.089 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.412 -6.582 2.987 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.463 -2.547 2.000 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.706 -6.787 0.911 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.761 -2.747 -0.074 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.006 -4.043 -1.357 1.00 0.00 H new ATOM 830 N TYR A 53 -6.856 -6.350 5.311 1.00 0.00 N ATOM 831 CA TYR A 53 -7.925 -7.341 5.347 1.00 0.00 C ATOM 832 C TYR A 53 -9.122 -6.822 6.138 1.00 0.00 C ATOM 833 O TYR A 53 -10.271 -6.975 5.721 1.00 0.00 O ATOM 834 CB TYR A 53 -7.419 -8.646 5.964 1.00 0.00 C ATOM 835 CG TYR A 53 -8.411 -9.785 5.870 1.00 0.00 C ATOM 836 CD1 TYR A 53 -8.889 -10.215 4.639 1.00 0.00 C ATOM 837 CD2 TYR A 53 -8.867 -10.428 7.013 1.00 0.00 C ATOM 838 CE1 TYR A 53 -9.795 -11.254 4.550 1.00 0.00 C ATOM 839 CE2 TYR A 53 -9.773 -11.469 6.933 1.00 0.00 C ATOM 840 CZ TYR A 53 -10.234 -11.878 5.699 1.00 0.00 C ATOM 841 OH TYR A 53 -11.135 -12.915 5.614 1.00 0.00 O ATOM 0 H TYR A 53 -5.917 -6.740 5.394 1.00 0.00 H new ATOM 0 HA TYR A 53 -8.244 -7.531 4.322 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.494 -8.939 5.467 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -7.176 -8.472 7.012 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -8.547 -9.729 3.737 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -8.508 -10.110 7.981 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -10.158 -11.576 3.585 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -10.118 -11.959 7.831 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.340 -13.245 6.514 1.00 0.00 H new ATOM 851 N TYR A 54 -8.845 -6.206 7.282 1.00 0.00 N ATOM 852 CA TYR A 54 -9.898 -5.666 8.134 1.00 0.00 C ATOM 853 C TYR A 54 -10.613 -4.507 7.446 1.00 0.00 C ATOM 854 O TYR A 54 -11.815 -4.570 7.186 1.00 0.00 O ATOM 855 CB TYR A 54 -9.314 -5.200 9.468 1.00 0.00 C ATOM 856 CG TYR A 54 -9.249 -6.289 10.514 1.00 0.00 C ATOM 857 CD1 TYR A 54 -8.475 -7.426 10.314 1.00 0.00 C ATOM 858 CD2 TYR A 54 -9.962 -6.183 11.702 1.00 0.00 C ATOM 859 CE1 TYR A 54 -8.414 -8.425 11.267 1.00 0.00 C ATOM 860 CE2 TYR A 54 -9.905 -7.176 12.661 1.00 0.00 C ATOM 861 CZ TYR A 54 -9.130 -8.295 12.439 1.00 0.00 C ATOM 862 OH TYR A 54 -9.071 -9.286 13.391 1.00 0.00 O ATOM 0 H TYR A 54 -7.900 -6.068 7.641 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.623 -6.458 8.320 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -8.310 -4.810 9.299 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.916 -4.376 9.851 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -7.912 -7.531 9.398 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -10.571 -5.309 11.879 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.809 -9.303 11.095 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.464 -7.076 13.580 1.00 0.00 H new ATOM 0 HH TYR A 54 -9.632 -9.039 14.156 1.00 0.00 H new ATOM 872 N LEU A 55 -9.865 -3.448 7.154 1.00 0.00 N ATOM 873 CA LEU A 55 -10.426 -2.273 6.495 1.00 0.00 C ATOM 874 C LEU A 55 -11.320 -2.678 5.328 1.00 0.00 C ATOM 875 O LEU A 55 -12.402 -2.122 5.138 1.00 0.00 O ATOM 876 CB LEU A 55 -9.304 -1.359 6.000 1.00 0.00 C ATOM 877 CG LEU A 55 -8.268 -0.942 7.044 1.00 0.00 C ATOM 878 CD1 LEU A 55 -7.133 -0.168 6.390 1.00 0.00 C ATOM 879 CD2 LEU A 55 -8.919 -0.111 8.140 1.00 0.00 C ATOM 0 H LEU A 55 -8.869 -3.379 7.363 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.033 -1.733 7.222 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.786 -1.863 5.184 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.754 -0.458 5.584 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.854 -1.843 7.496 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.405 0.121 7.148 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.648 -0.795 5.642 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -7.531 0.726 5.910 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -8.166 0.177 8.874 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -9.361 0.785 7.703 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.696 -0.698 8.629 1.00 0.00 H new ATOM 891 N THR A 56 -10.862 -3.653 4.548 1.00 0.00 N ATOM 892 CA THR A 56 -11.621 -4.134 3.401 1.00 0.00 C ATOM 893 C THR A 56 -13.118 -4.127 3.688 1.00 0.00 C ATOM 894 O THR A 56 -13.922 -3.739 2.841 1.00 0.00 O ATOM 895 CB THR A 56 -11.193 -5.559 3.002 1.00 0.00 C ATOM 896 OG1 THR A 56 -9.767 -5.629 2.888 1.00 0.00 O ATOM 897 CG2 THR A 56 -11.833 -5.967 1.683 1.00 0.00 C ATOM 0 H THR A 56 -9.969 -4.125 4.690 1.00 0.00 H new ATOM 0 HA THR A 56 -11.410 -3.454 2.576 1.00 0.00 H new ATOM 0 HB THR A 56 -11.529 -6.246 3.779 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.518 -5.704 1.943 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.516 -6.977 1.422 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.918 -5.941 1.782 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.524 -5.275 0.899 1.00 0.00 H new ATOM 905 N LYS A 57 -13.486 -4.557 4.890 1.00 0.00 N ATOM 906 CA LYS A 57 -14.887 -4.599 5.292 1.00 0.00 C ATOM 907 C LYS A 57 -15.661 -3.429 4.691 1.00 0.00 C ATOM 908 O LYS A 57 -16.761 -3.603 4.166 1.00 0.00 O ATOM 909 CB LYS A 57 -15.003 -4.570 6.818 1.00 0.00 C ATOM 910 CG LYS A 57 -14.361 -3.349 7.453 1.00 0.00 C ATOM 911 CD LYS A 57 -14.033 -3.589 8.917 1.00 0.00 C ATOM 912 CE LYS A 57 -15.221 -3.275 9.814 1.00 0.00 C ATOM 913 NZ LYS A 57 -14.813 -3.109 11.236 1.00 0.00 N ATOM 0 H LYS A 57 -12.833 -4.882 5.603 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.318 -5.528 4.919 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -16.057 -4.601 7.095 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -14.539 -5.468 7.226 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.450 -3.093 6.912 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.034 -2.496 7.365 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.734 -4.628 9.058 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.184 -2.970 9.207 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -15.707 -2.363 9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -15.955 -4.077 9.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -15.650 -2.896 11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -14.372 -3.987 11.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -14.131 -2.327 11.313 1.00 0.00 H new ATOM 927 N LYS A 58 -15.078 -2.238 4.770 1.00 0.00 N ATOM 928 CA LYS A 58 -15.711 -1.039 4.232 1.00 0.00 C ATOM 929 C LYS A 58 -14.694 -0.170 3.500 1.00 0.00 C ATOM 930 O LYS A 58 -13.528 -0.104 3.885 1.00 0.00 O ATOM 931 CB LYS A 58 -16.369 -0.236 5.356 1.00 0.00 C ATOM 932 CG LYS A 58 -15.379 0.326 6.362 1.00 0.00 C ATOM 933 CD LYS A 58 -15.992 1.451 7.177 1.00 0.00 C ATOM 934 CE LYS A 58 -15.240 1.669 8.481 1.00 0.00 C ATOM 935 NZ LYS A 58 -13.884 2.240 8.251 1.00 0.00 N ATOM 0 H LYS A 58 -14.168 -2.077 5.201 1.00 0.00 H new ATOM 0 HA LYS A 58 -16.476 -1.350 3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -16.937 0.586 4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -17.082 -0.874 5.878 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -15.046 -0.469 7.030 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -14.496 0.693 5.839 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -15.984 2.371 6.593 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -17.035 1.219 7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.812 2.339 9.122 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.150 0.721 9.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.404 2.374 9.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -13.329 1.589 7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.971 3.157 7.768 1.00 0.00 H new ATOM 949 N ASN A 59 -15.145 0.497 2.442 1.00 0.00 N ATOM 950 CA ASN A 59 -14.274 1.364 1.657 1.00 0.00 C ATOM 951 C ASN A 59 -15.073 2.136 0.613 1.00 0.00 C ATOM 952 O ASN A 59 -16.182 1.744 0.250 1.00 0.00 O ATOM 953 CB ASN A 59 -13.182 0.539 0.972 1.00 0.00 C ATOM 954 CG ASN A 59 -13.655 -0.076 -0.332 1.00 0.00 C ATOM 955 OD1 ASN A 59 -14.856 -0.189 -0.578 1.00 0.00 O ATOM 956 ND2 ASN A 59 -12.709 -0.475 -1.174 1.00 0.00 N ATOM 0 H ASN A 59 -16.108 0.454 2.109 1.00 0.00 H new ATOM 0 HA ASN A 59 -13.809 2.080 2.335 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -12.318 1.174 0.779 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -12.852 -0.252 1.645 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -12.966 -0.895 -2.067 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -11.726 -0.361 -0.928 1.00 0.00 H new ATOM 963 N GLU A 60 -14.502 3.238 0.134 1.00 0.00 N ATOM 964 CA GLU A 60 -15.163 4.066 -0.868 1.00 0.00 C ATOM 965 C GLU A 60 -15.784 3.204 -1.963 1.00 0.00 C ATOM 966 O GLU A 60 -15.343 2.082 -2.210 1.00 0.00 O ATOM 967 CB GLU A 60 -14.168 5.052 -1.484 1.00 0.00 C ATOM 968 CG GLU A 60 -13.939 6.293 -0.638 1.00 0.00 C ATOM 969 CD GLU A 60 -15.228 6.866 -0.082 1.00 0.00 C ATOM 970 OE1 GLU A 60 -16.142 7.156 -0.882 1.00 0.00 O ATOM 971 OE2 GLU A 60 -15.324 7.023 1.153 1.00 0.00 O ATOM 0 H GLU A 60 -13.585 3.577 0.424 1.00 0.00 H new ATOM 0 HA GLU A 60 -15.958 4.624 -0.373 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -13.215 4.546 -1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -14.530 5.354 -2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.269 6.048 0.186 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.439 7.051 -1.240 1.00 0.00 H new ATOM 978 N ASN A 61 -16.812 3.737 -2.616 1.00 0.00 N ATOM 979 CA ASN A 61 -17.495 3.016 -3.684 1.00 0.00 C ATOM 980 C ASN A 61 -16.494 2.451 -4.687 1.00 0.00 C ATOM 981 O ASN A 61 -15.326 2.839 -4.697 1.00 0.00 O ATOM 982 CB ASN A 61 -18.485 3.939 -4.399 1.00 0.00 C ATOM 983 CG ASN A 61 -19.615 4.387 -3.492 1.00 0.00 C ATOM 984 OD1 ASN A 61 -19.528 5.429 -2.843 1.00 0.00 O ATOM 985 ND2 ASN A 61 -20.683 3.599 -3.444 1.00 0.00 N ATOM 0 H ASN A 61 -17.190 4.665 -2.424 1.00 0.00 H new ATOM 0 HA ASN A 61 -18.041 2.186 -3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -17.955 4.814 -4.775 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -18.900 3.422 -5.264 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -21.475 3.849 -2.852 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -20.711 2.744 -4.000 1.00 0.00 H new TER 992 ASN A 61