USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 849 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 44 TYR OH : rot -66:sc= 0.104 USER MOD Set 1.2: B 105 A O2' : rot 61:sc= -1.08 USER MOD Set 2.1: A 72 MET CE :methyl 170:sc= -1.08 (180deg=-1.26) USER MOD Set 2.2: A 89 MET CE :methyl 168:sc= -0.421 (180deg=-0.0721) USER MOD Set 3.1: A 36 LYS NZ :NH3+ -105:sc= 1.84 (180deg=-0.398) USER MOD Set 3.2: A 37 TYR OH : rot 180:sc= -0.0222 USER MOD Set 3.3: A 75 MET CE :methyl 170:sc= -2.31 (180deg=-2.16) USER MOD Set 4.1: A 26 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 165:sc= -0.0217 (180deg=-0.319) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0173 (180deg=-0.387) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 30:sc= 0 USER MOD Single : A 13 MET CE :methyl -153:sc= 0 (180deg=-1.07) USER MOD Single : A 14 THR OG1 : rot 100:sc= -1.03 USER MOD Single : A 15 SER OG : rot -57:sc= 0.754 USER MOD Single : A 17 LYS NZ :NH3+ -176:sc= 1.59 (180deg=1.43) USER MOD Single : A 20 ASN : amide:sc= -1.85 X(o=-1.8,f=-1.4) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0016 USER MOD Single : A 23 TYR OH : rot 180:sc= 0.156 USER MOD Single : A 25 THR OG1 : rot -170:sc=-0.00958 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.968 USER MOD Single : A 52 LYS NZ :NH3+ -130:sc= 0.335 (180deg=-0.316) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -3.15 K(o=-3.2,f=-0.71) USER MOD Single : A 65 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00632) USER MOD Single : A 88 GLN : amide:sc= 1.04 K(o=1,f=-6.2!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 100 HIS : no HD1:sc= -1.13 X(o=-1.1,f=-1.1) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 U O2' : rot 21:sc= 0.187 USER MOD Single : B 102 U O5' : rot 180:sc= 0 USER MOD Single : B 103 G O2' : rot -53:sc= 1.77 USER MOD Single : B 104 G O2' : rot -53:sc= 0.17 USER MOD Single : B 106 G O2' : rot 106:sc= 0.79 USER MOD Single : B 107 U O2' : rot 180:sc= 0 USER MOD Single : B 107 U O3' : rot 180:sc= -0.385 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.924 17.279 10.075 1.00 0.00 N ATOM 2 CA MET A 1 -13.726 17.382 9.219 1.00 0.00 C ATOM 3 C MET A 1 -13.651 16.187 8.271 1.00 0.00 C ATOM 4 O MET A 1 -13.806 15.045 8.698 1.00 0.00 O ATOM 5 CB MET A 1 -12.447 17.465 10.060 1.00 0.00 C ATOM 6 CG MET A 1 -12.431 18.740 10.909 1.00 0.00 C ATOM 7 SD MET A 1 -10.975 18.909 11.973 1.00 0.00 S ATOM 8 CE MET A 1 -9.684 19.062 10.708 1.00 0.00 C ATOM 0 H1 MET A 1 -15.147 18.213 10.474 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.729 16.945 9.507 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.742 16.607 10.847 1.00 0.00 H new ATOM 0 HA MET A 1 -13.808 18.299 8.636 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.376 16.591 10.708 1.00 0.00 H new ATOM 0 HB3 MET A 1 -11.575 17.448 9.406 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.485 19.604 10.247 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.326 18.759 11.531 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.768 19.436 11.166 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.494 18.086 10.262 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.013 19.756 9.935 1.00 0.00 H new ATOM 18 N SER A 2 -13.414 16.452 6.986 1.00 0.00 N ATOM 19 CA SER A 2 -13.336 15.419 5.960 1.00 0.00 C ATOM 20 C SER A 2 -12.329 15.814 4.880 1.00 0.00 C ATOM 21 O SER A 2 -11.847 16.946 4.859 1.00 0.00 O ATOM 22 CB SER A 2 -14.716 15.218 5.331 1.00 0.00 C ATOM 23 OG SER A 2 -15.674 14.896 6.316 1.00 0.00 O ATOM 0 H SER A 2 -13.270 17.396 6.628 1.00 0.00 H new ATOM 0 HA SER A 2 -13.005 14.488 6.421 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.017 16.125 4.807 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.670 14.421 4.588 1.00 0.00 H new ATOM 0 HG SER A 2 -16.549 14.773 5.893 1.00 0.00 H new ATOM 29 N TYR A 3 -12.016 14.874 3.986 1.00 0.00 N ATOM 30 CA TYR A 3 -11.062 15.094 2.906 1.00 0.00 C ATOM 31 C TYR A 3 -11.511 16.232 1.991 1.00 0.00 C ATOM 32 O TYR A 3 -10.705 17.078 1.610 1.00 0.00 O ATOM 33 CB TYR A 3 -10.956 13.800 2.096 1.00 0.00 C ATOM 34 CG TYR A 3 -10.329 12.663 2.866 1.00 0.00 C ATOM 35 CD1 TYR A 3 -11.138 11.819 3.643 1.00 0.00 C ATOM 36 CD2 TYR A 3 -8.942 12.450 2.812 1.00 0.00 C ATOM 37 CE1 TYR A 3 -10.561 10.769 4.375 1.00 0.00 C ATOM 38 CE2 TYR A 3 -8.363 11.396 3.538 1.00 0.00 C ATOM 39 CZ TYR A 3 -9.171 10.557 4.331 1.00 0.00 C ATOM 40 OH TYR A 3 -8.608 9.543 5.045 1.00 0.00 O ATOM 0 H TYR A 3 -12.420 13.937 3.994 1.00 0.00 H new ATOM 0 HA TYR A 3 -10.097 15.370 3.331 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -11.952 13.502 1.768 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -10.368 13.989 1.198 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -12.206 11.978 3.678 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -8.320 13.097 2.212 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -11.186 10.122 4.973 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.297 11.228 3.488 1.00 0.00 H new ATOM 0 HH TYR A 3 -9.250 8.808 5.131 1.00 0.00 H new ATOM 50 N GLY A 4 -12.802 16.234 1.651 1.00 0.00 N ATOM 51 CA GLY A 4 -13.409 17.139 0.693 1.00 0.00 C ATOM 52 C GLY A 4 -12.788 16.919 -0.680 1.00 0.00 C ATOM 53 O GLY A 4 -13.347 16.223 -1.523 1.00 0.00 O ATOM 0 H GLY A 4 -13.471 15.578 2.054 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.485 16.970 0.648 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.262 18.172 1.009 1.00 0.00 H new ATOM 57 N ARG A 5 -11.621 17.528 -0.879 1.00 0.00 N ATOM 58 CA ARG A 5 -10.916 17.607 -2.156 1.00 0.00 C ATOM 59 C ARG A 5 -9.410 17.771 -1.924 1.00 0.00 C ATOM 60 O ARG A 5 -8.863 18.833 -2.208 1.00 0.00 O ATOM 61 CB ARG A 5 -11.444 18.799 -2.955 1.00 0.00 C ATOM 62 CG ARG A 5 -12.757 18.474 -3.658 1.00 0.00 C ATOM 63 CD ARG A 5 -13.313 19.706 -4.364 1.00 0.00 C ATOM 64 NE ARG A 5 -12.329 20.321 -5.267 1.00 0.00 N ATOM 65 CZ ARG A 5 -12.640 21.099 -6.309 1.00 0.00 C ATOM 66 NH1 ARG A 5 -13.909 21.364 -6.612 1.00 0.00 N ATOM 67 NH2 ARG A 5 -11.675 21.620 -7.060 1.00 0.00 N ATOM 0 H ARG A 5 -11.121 17.999 -0.125 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.087 16.686 -2.713 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.590 19.648 -2.287 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -10.701 19.099 -3.694 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.599 17.675 -4.382 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.482 18.107 -2.932 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.200 19.427 -4.932 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.628 20.438 -3.620 1.00 0.00 H new ATOM 0 HE ARG A 5 -11.341 20.142 -5.086 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -14.661 20.972 -6.046 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -14.129 21.960 -7.410 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.698 21.426 -6.841 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -11.912 22.214 -7.855 1.00 0.00 H new ATOM 81 N PRO A 6 -8.721 16.742 -1.414 1.00 0.00 N ATOM 82 CA PRO A 6 -7.295 16.799 -1.143 1.00 0.00 C ATOM 83 C PRO A 6 -6.512 16.806 -2.459 1.00 0.00 C ATOM 84 O PRO A 6 -6.602 15.844 -3.225 1.00 0.00 O ATOM 85 CB PRO A 6 -7.006 15.548 -0.317 1.00 0.00 C ATOM 86 CG PRO A 6 -8.070 14.555 -0.782 1.00 0.00 C ATOM 87 CD PRO A 6 -9.274 15.448 -1.068 1.00 0.00 C ATOM 0 HA PRO A 6 -6.998 17.702 -0.609 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.000 15.171 -0.499 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.083 15.747 0.752 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.752 14.010 -1.671 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.292 13.813 -0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.875 15.047 -1.884 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.926 15.520 -0.197 1.00 0.00 H new ATOM 95 N PRO A 7 -5.746 17.872 -2.744 1.00 0.00 N ATOM 96 CA PRO A 7 -4.951 17.997 -3.955 1.00 0.00 C ATOM 97 C PRO A 7 -3.628 17.233 -3.822 1.00 0.00 C ATOM 98 O PRO A 7 -2.782 17.605 -3.012 1.00 0.00 O ATOM 99 CB PRO A 7 -4.694 19.498 -4.091 1.00 0.00 C ATOM 100 CG PRO A 7 -4.618 19.968 -2.640 1.00 0.00 C ATOM 101 CD PRO A 7 -5.608 19.055 -1.915 1.00 0.00 C ATOM 0 HA PRO A 7 -5.458 17.580 -4.825 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -3.769 19.702 -4.630 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.496 19.997 -4.635 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.610 19.866 -2.238 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -4.895 21.018 -2.543 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.242 18.794 -0.922 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -6.569 19.551 -1.781 1.00 0.00 H new ATOM 109 N PRO A 8 -3.438 16.167 -4.612 1.00 0.00 N ATOM 110 CA PRO A 8 -2.212 15.394 -4.647 1.00 0.00 C ATOM 111 C PRO A 8 -1.239 16.008 -5.657 1.00 0.00 C ATOM 112 O PRO A 8 -1.447 17.125 -6.136 1.00 0.00 O ATOM 113 CB PRO A 8 -2.673 14.017 -5.119 1.00 0.00 C ATOM 114 CG PRO A 8 -3.732 14.387 -6.157 1.00 0.00 C ATOM 115 CD PRO A 8 -4.409 15.608 -5.533 1.00 0.00 C ATOM 0 HA PRO A 8 -1.693 15.361 -3.689 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -1.858 13.439 -5.554 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.087 13.422 -4.305 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.286 14.622 -7.123 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.438 13.573 -6.321 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.688 16.334 -6.297 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.324 15.325 -5.013 1.00 0.00 H new ATOM 123 N ASP A 9 -0.176 15.275 -5.984 1.00 0.00 N ATOM 124 CA ASP A 9 0.813 15.665 -6.977 1.00 0.00 C ATOM 125 C ASP A 9 1.177 14.452 -7.841 1.00 0.00 C ATOM 126 O ASP A 9 2.339 14.220 -8.165 1.00 0.00 O ATOM 127 CB ASP A 9 2.016 16.340 -6.312 1.00 0.00 C ATOM 128 CG ASP A 9 2.710 15.472 -5.261 1.00 0.00 C ATOM 129 OD1 ASP A 9 2.116 15.280 -4.178 1.00 0.00 O ATOM 130 OD2 ASP A 9 3.839 15.008 -5.549 1.00 0.00 O ATOM 0 H ASP A 9 0.023 14.372 -5.553 1.00 0.00 H new ATOM 0 HA ASP A 9 0.396 16.416 -7.649 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.740 16.611 -7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.687 17.267 -5.843 1.00 0.00 H new ATOM 135 N VAL A 10 0.144 13.681 -8.201 1.00 0.00 N ATOM 136 CA VAL A 10 0.227 12.435 -8.965 1.00 0.00 C ATOM 137 C VAL A 10 1.005 12.567 -10.270 1.00 0.00 C ATOM 138 O VAL A 10 1.370 11.558 -10.868 1.00 0.00 O ATOM 139 CB VAL A 10 -1.183 11.913 -9.257 1.00 0.00 C ATOM 140 CG1 VAL A 10 -1.974 11.755 -7.961 1.00 0.00 C ATOM 141 CG2 VAL A 10 -1.951 12.862 -10.178 1.00 0.00 C ATOM 0 H VAL A 10 -0.816 13.922 -7.955 1.00 0.00 H new ATOM 0 HA VAL A 10 0.779 11.729 -8.345 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.071 10.947 -9.749 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.973 11.383 -8.188 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.463 11.048 -7.307 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.051 12.721 -7.462 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.947 12.461 -10.365 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.036 13.840 -9.704 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.418 12.963 -11.123 1.00 0.00 H new ATOM 151 N GLU A 11 1.258 13.798 -10.716 1.00 0.00 N ATOM 152 CA GLU A 11 1.945 14.064 -11.974 1.00 0.00 C ATOM 153 C GLU A 11 3.461 14.116 -11.779 1.00 0.00 C ATOM 154 O GLU A 11 4.193 14.424 -12.722 1.00 0.00 O ATOM 155 CB GLU A 11 1.442 15.388 -12.548 1.00 0.00 C ATOM 156 CG GLU A 11 -0.074 15.331 -12.730 1.00 0.00 C ATOM 157 CD GLU A 11 -0.597 16.599 -13.394 1.00 0.00 C ATOM 158 OE1 GLU A 11 -0.801 17.592 -12.662 1.00 0.00 O ATOM 159 OE2 GLU A 11 -0.788 16.567 -14.629 1.00 0.00 O ATOM 0 H GLU A 11 0.989 14.641 -10.209 1.00 0.00 H new ATOM 0 HA GLU A 11 1.729 13.252 -12.669 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.707 16.208 -11.881 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.925 15.587 -13.505 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.338 14.464 -13.336 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.555 15.200 -11.761 1.00 0.00 H new ATOM 166 N GLY A 12 3.935 13.816 -10.571 1.00 0.00 N ATOM 167 CA GLY A 12 5.352 13.854 -10.246 1.00 0.00 C ATOM 168 C GLY A 12 5.689 12.909 -9.096 1.00 0.00 C ATOM 169 O GLY A 12 6.728 13.075 -8.457 1.00 0.00 O ATOM 0 H GLY A 12 3.341 13.539 -9.790 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.935 13.581 -11.125 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.637 14.871 -9.978 1.00 0.00 H new ATOM 173 N MET A 13 4.826 11.924 -8.825 1.00 0.00 N ATOM 174 CA MET A 13 5.053 10.984 -7.732 1.00 0.00 C ATOM 175 C MET A 13 4.678 9.555 -8.124 1.00 0.00 C ATOM 176 O MET A 13 4.027 9.326 -9.142 1.00 0.00 O ATOM 177 CB MET A 13 4.303 11.459 -6.490 1.00 0.00 C ATOM 178 CG MET A 13 2.800 11.215 -6.625 1.00 0.00 C ATOM 179 SD MET A 13 1.787 12.130 -5.434 1.00 0.00 S ATOM 180 CE MET A 13 0.511 10.900 -5.094 1.00 0.00 C ATOM 0 H MET A 13 3.966 11.761 -9.349 1.00 0.00 H new ATOM 0 HA MET A 13 6.118 10.960 -7.503 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.681 10.937 -5.611 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.489 12.522 -6.334 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.489 11.487 -7.634 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.605 10.149 -6.507 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.409 11.403 -4.795 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.326 10.310 -5.992 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.844 10.243 -4.290 1.00 0.00 H new ATOM 190 N THR A 14 5.105 8.589 -7.301 1.00 0.00 N ATOM 191 CA THR A 14 4.985 7.161 -7.588 1.00 0.00 C ATOM 192 C THR A 14 3.544 6.664 -7.700 1.00 0.00 C ATOM 193 O THR A 14 3.298 5.677 -8.391 1.00 0.00 O ATOM 194 CB THR A 14 5.747 6.391 -6.509 1.00 0.00 C ATOM 195 OG1 THR A 14 7.118 6.626 -6.698 1.00 0.00 O ATOM 196 CG2 THR A 14 5.496 4.893 -6.591 1.00 0.00 C ATOM 0 H THR A 14 5.550 8.785 -6.404 1.00 0.00 H new ATOM 0 HA THR A 14 5.416 6.985 -8.574 1.00 0.00 H new ATOM 0 HB THR A 14 5.405 6.734 -5.532 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.422 7.312 -6.067 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.057 4.387 -5.806 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.432 4.695 -6.462 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.819 4.523 -7.564 1.00 0.00 H new ATOM 203 N SER A 15 2.593 7.326 -7.041 1.00 0.00 N ATOM 204 CA SER A 15 1.179 6.969 -7.065 1.00 0.00 C ATOM 205 C SER A 15 0.953 5.462 -6.914 1.00 0.00 C ATOM 206 O SER A 15 0.358 4.829 -7.785 1.00 0.00 O ATOM 207 CB SER A 15 0.524 7.525 -8.330 1.00 0.00 C ATOM 208 OG SER A 15 -0.872 7.332 -8.278 1.00 0.00 O ATOM 0 H SER A 15 2.791 8.143 -6.464 1.00 0.00 H new ATOM 0 HA SER A 15 0.700 7.426 -6.199 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.749 8.587 -8.428 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.935 7.029 -9.210 1.00 0.00 H new ATOM 0 HG SER A 15 -1.066 6.378 -8.168 1.00 0.00 H new ATOM 214 N LEU A 16 1.424 4.876 -5.809 1.00 0.00 N ATOM 215 CA LEU A 16 1.140 3.468 -5.537 1.00 0.00 C ATOM 216 C LEU A 16 -0.361 3.295 -5.346 1.00 0.00 C ATOM 217 O LEU A 16 -1.063 4.282 -5.139 1.00 0.00 O ATOM 218 CB LEU A 16 1.855 3.023 -4.259 1.00 0.00 C ATOM 219 CG LEU A 16 1.854 1.504 -4.028 1.00 0.00 C ATOM 220 CD1 LEU A 16 2.708 0.780 -5.060 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.391 1.222 -2.629 1.00 0.00 C ATOM 0 H LEU A 16 1.992 5.345 -5.103 1.00 0.00 H new ATOM 0 HA LEU A 16 1.490 2.864 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.887 3.372 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.383 3.509 -3.405 1.00 0.00 H new ATOM 0 HG LEU A 16 0.832 1.137 -4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.683 -0.292 -4.865 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.317 0.976 -6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.736 1.137 -4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.396 0.147 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.407 1.608 -2.544 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.755 1.709 -1.890 1.00 0.00 H new ATOM 233 N LYS A 17 -0.838 2.049 -5.408 1.00 0.00 N ATOM 234 CA LYS A 17 -2.228 1.691 -5.180 1.00 0.00 C ATOM 235 C LYS A 17 -2.308 0.436 -4.324 1.00 0.00 C ATOM 236 O LYS A 17 -1.498 -0.472 -4.492 1.00 0.00 O ATOM 237 CB LYS A 17 -2.872 1.433 -6.538 1.00 0.00 C ATOM 238 CG LYS A 17 -4.288 0.875 -6.365 1.00 0.00 C ATOM 239 CD LYS A 17 -4.852 0.576 -7.745 1.00 0.00 C ATOM 240 CE LYS A 17 -4.180 -0.660 -8.345 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.843 -1.904 -7.907 1.00 0.00 N ATOM 0 H LYS A 17 -0.248 1.246 -5.624 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.746 2.496 -4.658 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.908 2.359 -7.112 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.265 0.729 -7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.268 -0.030 -5.758 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.919 1.595 -5.844 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.928 0.415 -7.677 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.699 1.434 -8.400 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.205 -0.597 -9.433 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.131 -0.683 -8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.321 -2.724 -8.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.857 -1.943 -6.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.818 -1.923 -8.267 1.00 0.00 H new ATOM 255 N VAL A 18 -3.279 0.369 -3.410 1.00 0.00 N ATOM 256 CA VAL A 18 -3.497 -0.845 -2.623 1.00 0.00 C ATOM 257 C VAL A 18 -4.985 -1.173 -2.554 1.00 0.00 C ATOM 258 O VAL A 18 -5.827 -0.277 -2.640 1.00 0.00 O ATOM 259 CB VAL A 18 -2.887 -0.735 -1.216 1.00 0.00 C ATOM 260 CG1 VAL A 18 -1.734 0.270 -1.144 1.00 0.00 C ATOM 261 CG2 VAL A 18 -3.942 -0.351 -0.185 1.00 0.00 C ATOM 0 H VAL A 18 -3.920 1.133 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.984 -1.664 -3.127 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.490 -1.724 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.344 0.304 -0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.941 -0.036 -1.826 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.095 1.259 -1.428 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -3.480 -0.281 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.377 0.612 -0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.725 -1.109 -0.166 1.00 0.00 H new ATOM 271 N ASP A 19 -5.284 -2.469 -2.389 1.00 0.00 N ATOM 272 CA ASP A 19 -6.632 -3.028 -2.405 1.00 0.00 C ATOM 273 C ASP A 19 -6.691 -4.315 -1.572 1.00 0.00 C ATOM 274 O ASP A 19 -5.758 -4.617 -0.828 1.00 0.00 O ATOM 275 CB ASP A 19 -7.010 -3.361 -3.853 1.00 0.00 C ATOM 276 CG ASP A 19 -6.879 -2.157 -4.783 1.00 0.00 C ATOM 277 OD1 ASP A 19 -7.840 -1.356 -4.835 1.00 0.00 O ATOM 278 OD2 ASP A 19 -5.815 -2.052 -5.427 1.00 0.00 O ATOM 0 H ASP A 19 -4.565 -3.177 -2.236 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.324 -2.299 -1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.372 -4.167 -4.215 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.036 -3.729 -3.882 1.00 0.00 H new ATOM 283 N ASN A 20 -7.796 -5.066 -1.705 1.00 0.00 N ATOM 284 CA ASN A 20 -8.003 -6.392 -1.120 1.00 0.00 C ATOM 285 C ASN A 20 -8.469 -6.345 0.340 1.00 0.00 C ATOM 286 O ASN A 20 -8.198 -7.264 1.110 1.00 0.00 O ATOM 287 CB ASN A 20 -6.768 -7.283 -1.318 1.00 0.00 C ATOM 288 CG ASN A 20 -7.070 -8.524 -2.139 1.00 0.00 C ATOM 289 OD1 ASN A 20 -7.808 -8.483 -3.119 1.00 0.00 O ATOM 290 ND2 ASN A 20 -6.487 -9.644 -1.727 1.00 0.00 N ATOM 0 H ASN A 20 -8.600 -4.749 -2.246 1.00 0.00 H new ATOM 0 HA ASN A 20 -8.828 -6.850 -1.665 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -5.984 -6.707 -1.811 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.380 -7.581 -0.344 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.645 -10.517 -2.231 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.881 -9.632 -0.907 1.00 0.00 H new ATOM 297 N LEU A 21 -9.167 -5.271 0.722 1.00 0.00 N ATOM 298 CA LEU A 21 -9.671 -5.072 2.071 1.00 0.00 C ATOM 299 C LEU A 21 -10.511 -6.273 2.476 1.00 0.00 C ATOM 300 O LEU A 21 -11.449 -6.649 1.775 1.00 0.00 O ATOM 301 CB LEU A 21 -10.531 -3.804 2.106 1.00 0.00 C ATOM 302 CG LEU A 21 -9.739 -2.490 2.126 1.00 0.00 C ATOM 303 CD1 LEU A 21 -9.387 -2.146 3.566 1.00 0.00 C ATOM 304 CD2 LEU A 21 -8.451 -2.531 1.304 1.00 0.00 C ATOM 0 H LEU A 21 -9.398 -4.507 0.087 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.838 -4.964 2.765 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.188 -3.803 1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.171 -3.840 2.988 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.380 -1.735 1.671 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -8.824 -1.213 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.302 -2.032 4.147 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -8.783 -2.946 3.994 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.948 -1.566 1.368 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.795 -3.309 1.694 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.691 -2.747 0.263 1.00 0.00 H new ATOM 316 N THR A 22 -10.177 -6.874 3.617 1.00 0.00 N ATOM 317 CA THR A 22 -10.900 -8.020 4.133 1.00 0.00 C ATOM 318 C THR A 22 -12.299 -7.593 4.583 1.00 0.00 C ATOM 319 O THR A 22 -12.595 -6.401 4.684 1.00 0.00 O ATOM 320 CB THR A 22 -10.095 -8.651 5.274 1.00 0.00 C ATOM 321 OG1 THR A 22 -8.733 -8.708 4.905 1.00 0.00 O ATOM 322 CG2 THR A 22 -10.563 -10.071 5.578 1.00 0.00 C ATOM 0 H THR A 22 -9.398 -6.576 4.204 1.00 0.00 H new ATOM 0 HA THR A 22 -11.025 -8.771 3.353 1.00 0.00 H new ATOM 0 HB THR A 22 -10.241 -8.036 6.162 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.214 -9.110 5.632 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.968 -10.484 6.393 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.613 -10.054 5.869 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.443 -10.692 4.690 1.00 0.00 H new ATOM 329 N TYR A 23 -13.174 -8.565 4.857 1.00 0.00 N ATOM 330 CA TYR A 23 -14.546 -8.330 5.300 1.00 0.00 C ATOM 331 C TYR A 23 -14.640 -7.601 6.644 1.00 0.00 C ATOM 332 O TYR A 23 -15.744 -7.399 7.154 1.00 0.00 O ATOM 333 CB TYR A 23 -15.268 -9.681 5.389 1.00 0.00 C ATOM 334 CG TYR A 23 -14.694 -10.605 6.440 1.00 0.00 C ATOM 335 CD1 TYR A 23 -15.174 -10.554 7.757 1.00 0.00 C ATOM 336 CD2 TYR A 23 -13.679 -11.509 6.099 1.00 0.00 C ATOM 337 CE1 TYR A 23 -14.637 -11.397 8.739 1.00 0.00 C ATOM 338 CE2 TYR A 23 -13.136 -12.359 7.073 1.00 0.00 C ATOM 339 CZ TYR A 23 -13.607 -12.302 8.402 1.00 0.00 C ATOM 340 OH TYR A 23 -13.074 -13.117 9.358 1.00 0.00 O ATOM 0 H TYR A 23 -12.941 -9.555 4.775 1.00 0.00 H new ATOM 0 HA TYR A 23 -15.018 -7.675 4.568 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -16.322 -9.507 5.606 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -15.220 -10.174 4.418 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -15.961 -9.861 8.015 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -13.314 -11.551 5.083 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -15.010 -11.355 9.752 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.357 -13.058 6.806 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.377 -13.678 8.958 1.00 0.00 H new ATOM 350 N ARG A 24 -13.503 -7.203 7.227 1.00 0.00 N ATOM 351 CA ARG A 24 -13.440 -6.600 8.553 1.00 0.00 C ATOM 352 C ARG A 24 -12.452 -5.435 8.608 1.00 0.00 C ATOM 353 O ARG A 24 -12.025 -5.040 9.689 1.00 0.00 O ATOM 354 CB ARG A 24 -13.078 -7.692 9.559 1.00 0.00 C ATOM 355 CG ARG A 24 -11.684 -8.264 9.264 1.00 0.00 C ATOM 356 CD ARG A 24 -11.487 -9.580 10.007 1.00 0.00 C ATOM 357 NE ARG A 24 -11.558 -9.401 11.461 1.00 0.00 N ATOM 358 CZ ARG A 24 -11.968 -10.339 12.318 1.00 0.00 C ATOM 359 NH1 ARG A 24 -12.357 -11.538 11.891 1.00 0.00 N ATOM 360 NH2 ARG A 24 -11.987 -10.077 13.621 1.00 0.00 N ATOM 0 H ARG A 24 -12.591 -7.294 6.780 1.00 0.00 H new ATOM 0 HA ARG A 24 -14.413 -6.176 8.802 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -13.102 -7.284 10.570 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -13.819 -8.490 9.519 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.567 -8.422 8.192 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.918 -7.549 9.566 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.248 -10.293 9.691 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.520 -10.007 9.740 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.275 -8.499 11.843 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -12.345 -11.753 10.894 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -12.667 -12.242 12.561 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.689 -9.163 13.962 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -12.299 -10.790 14.280 1.00 0.00 H new ATOM 374 N THR A 25 -12.090 -4.885 7.445 1.00 0.00 N ATOM 375 CA THR A 25 -11.105 -3.810 7.348 1.00 0.00 C ATOM 376 C THR A 25 -11.775 -2.513 6.894 1.00 0.00 C ATOM 377 O THR A 25 -12.907 -2.531 6.413 1.00 0.00 O ATOM 378 CB THR A 25 -9.990 -4.235 6.387 1.00 0.00 C ATOM 379 OG1 THR A 25 -9.680 -5.596 6.580 1.00 0.00 O ATOM 380 CG2 THR A 25 -8.716 -3.422 6.626 1.00 0.00 C ATOM 0 H THR A 25 -12.473 -5.175 6.545 1.00 0.00 H new ATOM 0 HA THR A 25 -10.666 -3.622 8.328 1.00 0.00 H new ATOM 0 HB THR A 25 -10.348 -4.062 5.372 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.867 -5.820 6.080 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.942 -3.745 5.930 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.925 -2.364 6.470 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.372 -3.577 7.649 1.00 0.00 H new ATOM 387 N SER A 26 -11.079 -1.384 7.041 1.00 0.00 N ATOM 388 CA SER A 26 -11.593 -0.055 6.731 1.00 0.00 C ATOM 389 C SER A 26 -10.431 0.839 6.286 1.00 0.00 C ATOM 390 O SER A 26 -9.273 0.463 6.470 1.00 0.00 O ATOM 391 CB SER A 26 -12.261 0.492 7.999 1.00 0.00 C ATOM 392 OG SER A 26 -11.288 0.770 8.983 1.00 0.00 O ATOM 0 H SER A 26 -10.120 -1.372 7.387 1.00 0.00 H new ATOM 0 HA SER A 26 -12.323 -0.086 5.922 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.819 1.398 7.763 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.979 -0.233 8.382 1.00 0.00 H new ATOM 0 HG SER A 26 -11.726 1.120 9.787 1.00 0.00 H new ATOM 398 N PRO A 27 -10.698 2.020 5.704 1.00 0.00 N ATOM 399 CA PRO A 27 -9.650 2.901 5.211 1.00 0.00 C ATOM 400 C PRO A 27 -8.836 3.503 6.353 1.00 0.00 C ATOM 401 O PRO A 27 -7.670 3.839 6.164 1.00 0.00 O ATOM 402 CB PRO A 27 -10.378 3.987 4.412 1.00 0.00 C ATOM 403 CG PRO A 27 -11.763 4.032 5.055 1.00 0.00 C ATOM 404 CD PRO A 27 -12.013 2.588 5.467 1.00 0.00 C ATOM 0 HA PRO A 27 -8.931 2.360 4.596 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.870 4.948 4.485 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.435 3.736 3.353 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.785 4.703 5.913 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.519 4.386 4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.630 2.537 6.364 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.541 2.042 4.685 1.00 0.00 H new ATOM 412 N ASP A 28 -9.428 3.641 7.542 1.00 0.00 N ATOM 413 CA ASP A 28 -8.684 4.173 8.675 1.00 0.00 C ATOM 414 C ASP A 28 -7.619 3.174 9.115 1.00 0.00 C ATOM 415 O ASP A 28 -6.537 3.562 9.557 1.00 0.00 O ATOM 416 CB ASP A 28 -9.615 4.452 9.850 1.00 0.00 C ATOM 417 CG ASP A 28 -8.883 5.184 10.968 1.00 0.00 C ATOM 418 OD1 ASP A 28 -8.735 6.421 10.847 1.00 0.00 O ATOM 419 OD2 ASP A 28 -8.472 4.503 11.936 1.00 0.00 O ATOM 0 H ASP A 28 -10.399 3.397 7.739 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.213 5.105 8.362 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.462 5.050 9.513 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.019 3.513 10.229 1.00 0.00 H new ATOM 424 N THR A 29 -7.918 1.877 8.989 1.00 0.00 N ATOM 425 CA THR A 29 -6.933 0.855 9.297 1.00 0.00 C ATOM 426 C THR A 29 -5.914 0.805 8.171 1.00 0.00 C ATOM 427 O THR A 29 -4.715 0.737 8.419 1.00 0.00 O ATOM 428 CB THR A 29 -7.611 -0.510 9.449 1.00 0.00 C ATOM 429 OG1 THR A 29 -8.547 -0.474 10.508 1.00 0.00 O ATOM 430 CG2 THR A 29 -6.550 -1.561 9.759 1.00 0.00 C ATOM 0 H THR A 29 -8.823 1.521 8.680 1.00 0.00 H new ATOM 0 HA THR A 29 -6.437 1.098 10.237 1.00 0.00 H new ATOM 0 HB THR A 29 -8.128 -0.757 8.522 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.976 -1.351 10.595 1.00 0.00 H new ATOM 0 HG21 THR A 29 -7.025 -2.536 9.869 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.827 -1.599 8.944 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.039 -1.300 10.686 1.00 0.00 H new ATOM 437 N LEU A 30 -6.371 0.840 6.921 1.00 0.00 N ATOM 438 CA LEU A 30 -5.468 0.798 5.787 1.00 0.00 C ATOM 439 C LEU A 30 -4.478 1.963 5.828 1.00 0.00 C ATOM 440 O LEU A 30 -3.424 1.895 5.202 1.00 0.00 O ATOM 441 CB LEU A 30 -6.301 0.810 4.501 1.00 0.00 C ATOM 442 CG LEU A 30 -6.103 -0.435 3.630 1.00 0.00 C ATOM 443 CD1 LEU A 30 -4.719 -0.437 2.995 1.00 0.00 C ATOM 444 CD2 LEU A 30 -6.271 -1.723 4.439 1.00 0.00 C ATOM 0 H LEU A 30 -7.359 0.897 6.674 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.874 -0.115 5.822 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.356 0.896 4.762 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.043 1.695 3.919 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.868 -0.400 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.602 -1.330 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.604 0.449 2.371 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.960 -0.432 3.777 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.123 -2.584 3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.535 -1.746 5.243 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.274 -1.758 4.864 1.00 0.00 H new ATOM 456 N ARG A 31 -4.807 3.033 6.560 1.00 0.00 N ATOM 457 CA ARG A 31 -3.937 4.189 6.673 1.00 0.00 C ATOM 458 C ARG A 31 -2.870 3.934 7.723 1.00 0.00 C ATOM 459 O ARG A 31 -1.687 4.021 7.424 1.00 0.00 O ATOM 460 CB ARG A 31 -4.766 5.406 7.068 1.00 0.00 C ATOM 461 CG ARG A 31 -3.897 6.640 7.345 1.00 0.00 C ATOM 462 CD ARG A 31 -2.890 6.951 6.229 1.00 0.00 C ATOM 463 NE ARG A 31 -2.077 8.114 6.589 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.106 9.304 5.979 1.00 0.00 C ATOM 465 NH1 ARG A 31 -2.929 9.543 4.961 1.00 0.00 N ATOM 466 NH2 ARG A 31 -1.293 10.266 6.404 1.00 0.00 N ATOM 0 H ARG A 31 -5.679 3.114 7.084 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.453 4.372 5.714 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.474 5.635 6.271 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.352 5.170 7.957 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.545 7.505 7.488 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.355 6.489 8.279 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.247 6.088 6.059 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.419 7.143 5.296 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.433 8.008 7.373 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.556 8.810 4.630 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.932 10.459 4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.660 10.091 7.184 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.302 11.179 5.950 1.00 0.00 H new ATOM 480 N ARG A 32 -3.275 3.617 8.954 1.00 0.00 N ATOM 481 CA ARG A 32 -2.331 3.410 10.037 1.00 0.00 C ATOM 482 C ARG A 32 -1.421 2.221 9.733 1.00 0.00 C ATOM 483 O ARG A 32 -0.308 2.146 10.250 1.00 0.00 O ATOM 484 CB ARG A 32 -3.126 3.170 11.326 1.00 0.00 C ATOM 485 CG ARG A 32 -3.817 1.812 11.234 1.00 0.00 C ATOM 486 CD ARG A 32 -4.530 1.434 12.515 1.00 0.00 C ATOM 487 NE ARG A 32 -5.675 2.315 12.783 1.00 0.00 N ATOM 488 CZ ARG A 32 -6.307 2.391 13.958 1.00 0.00 C ATOM 489 NH1 ARG A 32 -5.903 1.663 14.993 1.00 0.00 N ATOM 490 NH2 ARG A 32 -7.350 3.204 14.103 1.00 0.00 N ATOM 0 H ARG A 32 -4.253 3.499 9.219 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.696 4.288 10.153 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.461 3.197 12.190 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.864 3.960 11.467 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.535 1.829 10.414 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.078 1.048 10.995 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -4.873 0.402 12.449 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.830 1.484 13.349 1.00 0.00 H new ATOM 0 HE ARG A 32 -6.009 2.907 12.023 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -5.103 1.038 14.896 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -6.393 1.729 15.885 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -7.668 3.770 13.317 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -7.831 3.261 15.000 1.00 0.00 H new ATOM 504 N VAL A 33 -1.897 1.295 8.894 1.00 0.00 N ATOM 505 CA VAL A 33 -1.177 0.070 8.585 1.00 0.00 C ATOM 506 C VAL A 33 -0.141 0.316 7.492 1.00 0.00 C ATOM 507 O VAL A 33 0.929 -0.286 7.519 1.00 0.00 O ATOM 508 CB VAL A 33 -2.175 -1.004 8.134 1.00 0.00 C ATOM 509 CG1 VAL A 33 -1.464 -2.228 7.561 1.00 0.00 C ATOM 510 CG2 VAL A 33 -3.021 -1.459 9.320 1.00 0.00 C ATOM 0 H VAL A 33 -2.793 1.380 8.414 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.654 -0.270 9.479 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.800 -0.559 7.360 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.203 -2.967 7.252 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -0.866 -1.931 6.699 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.814 -2.661 8.322 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.727 -2.222 8.992 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.372 -1.873 10.092 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.568 -0.608 9.724 1.00 0.00 H new ATOM 520 N PHE A 34 -0.443 1.194 6.533 1.00 0.00 N ATOM 521 CA PHE A 34 0.471 1.493 5.435 1.00 0.00 C ATOM 522 C PHE A 34 1.261 2.782 5.662 1.00 0.00 C ATOM 523 O PHE A 34 2.208 3.060 4.933 1.00 0.00 O ATOM 524 CB PHE A 34 -0.343 1.546 4.140 1.00 0.00 C ATOM 525 CG PHE A 34 -0.531 0.197 3.480 1.00 0.00 C ATOM 526 CD1 PHE A 34 -1.509 -0.688 3.958 1.00 0.00 C ATOM 527 CD2 PHE A 34 0.266 -0.176 2.386 1.00 0.00 C ATOM 528 CE1 PHE A 34 -1.692 -1.934 3.342 1.00 0.00 C ATOM 529 CE2 PHE A 34 0.087 -1.424 1.768 1.00 0.00 C ATOM 530 CZ PHE A 34 -0.897 -2.300 2.247 1.00 0.00 C ATOM 0 H PHE A 34 -1.321 1.712 6.498 1.00 0.00 H new ATOM 0 HA PHE A 34 1.222 0.705 5.371 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.322 1.974 4.355 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.152 2.217 3.438 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.122 -0.409 4.802 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.022 0.502 2.017 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.446 -2.613 3.712 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.704 -1.707 0.928 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.043 -3.259 1.772 1.00 0.00 H new ATOM 540 N GLU A 35 0.892 3.581 6.666 1.00 0.00 N ATOM 541 CA GLU A 35 1.596 4.813 6.989 1.00 0.00 C ATOM 542 C GLU A 35 2.949 4.529 7.640 1.00 0.00 C ATOM 543 O GLU A 35 3.861 5.349 7.537 1.00 0.00 O ATOM 544 CB GLU A 35 0.714 5.648 7.921 1.00 0.00 C ATOM 545 CG GLU A 35 1.413 6.908 8.428 1.00 0.00 C ATOM 546 CD GLU A 35 0.432 7.815 9.159 1.00 0.00 C ATOM 547 OE1 GLU A 35 0.233 7.598 10.376 1.00 0.00 O ATOM 548 OE2 GLU A 35 -0.118 8.726 8.494 1.00 0.00 O ATOM 0 H GLU A 35 0.097 3.388 7.274 1.00 0.00 H new ATOM 0 HA GLU A 35 1.793 5.364 6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.197 5.931 7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.413 5.037 8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.228 6.633 9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.856 7.445 7.590 1.00 0.00 H new ATOM 555 N LYS A 36 3.092 3.379 8.309 1.00 0.00 N ATOM 556 CA LYS A 36 4.323 3.052 9.017 1.00 0.00 C ATOM 557 C LYS A 36 5.488 2.789 8.067 1.00 0.00 C ATOM 558 O LYS A 36 6.645 2.920 8.462 1.00 0.00 O ATOM 559 CB LYS A 36 4.086 1.844 9.926 1.00 0.00 C ATOM 560 CG LYS A 36 3.798 0.561 9.148 1.00 0.00 C ATOM 561 CD LYS A 36 3.439 -0.548 10.138 1.00 0.00 C ATOM 562 CE LYS A 36 3.207 -1.874 9.418 1.00 0.00 C ATOM 563 NZ LYS A 36 4.459 -2.417 8.866 1.00 0.00 N ATOM 0 H LYS A 36 2.368 2.663 8.372 1.00 0.00 H new ATOM 0 HA LYS A 36 4.600 3.917 9.620 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.963 1.692 10.555 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.249 2.055 10.591 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.978 0.721 8.447 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.669 0.273 8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.241 -0.662 10.867 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.542 -0.269 10.691 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.772 -2.594 10.111 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.486 -1.730 8.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 4.473 -2.278 7.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.269 -1.924 9.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.521 -3.433 9.080 1.00 0.00 H new ATOM 577 N TYR A 37 5.190 2.423 6.819 1.00 0.00 N ATOM 578 CA TYR A 37 6.203 2.197 5.800 1.00 0.00 C ATOM 579 C TYR A 37 6.806 3.515 5.316 1.00 0.00 C ATOM 580 O TYR A 37 7.908 3.518 4.768 1.00 0.00 O ATOM 581 CB TYR A 37 5.602 1.431 4.629 1.00 0.00 C ATOM 582 CG TYR A 37 5.175 0.028 4.995 1.00 0.00 C ATOM 583 CD1 TYR A 37 3.929 -0.185 5.602 1.00 0.00 C ATOM 584 CD2 TYR A 37 6.028 -1.052 4.737 1.00 0.00 C ATOM 585 CE1 TYR A 37 3.543 -1.479 5.966 1.00 0.00 C ATOM 586 CE2 TYR A 37 5.645 -2.353 5.091 1.00 0.00 C ATOM 587 CZ TYR A 37 4.401 -2.569 5.716 1.00 0.00 C ATOM 588 OH TYR A 37 4.030 -3.829 6.082 1.00 0.00 O ATOM 0 H TYR A 37 4.235 2.276 6.491 1.00 0.00 H new ATOM 0 HA TYR A 37 7.004 1.605 6.243 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.740 1.979 4.248 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.332 1.383 3.821 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.268 0.649 5.788 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.984 -0.882 4.264 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.586 -1.643 6.439 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.301 -3.186 4.886 1.00 0.00 H new ATOM 0 HH TYR A 37 4.736 -4.462 5.836 1.00 0.00 H new ATOM 598 N GLY A 38 6.103 4.633 5.512 1.00 0.00 N ATOM 599 CA GLY A 38 6.639 5.935 5.134 1.00 0.00 C ATOM 600 C GLY A 38 5.567 7.013 5.177 1.00 0.00 C ATOM 601 O GLY A 38 5.381 7.662 6.205 1.00 0.00 O ATOM 0 H GLY A 38 5.171 4.660 5.926 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.454 6.203 5.807 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.060 5.879 4.130 1.00 0.00 H new ATOM 605 N ARG A 39 4.860 7.202 4.057 1.00 0.00 N ATOM 606 CA ARG A 39 3.765 8.156 3.984 1.00 0.00 C ATOM 607 C ARG A 39 2.758 7.775 2.914 1.00 0.00 C ATOM 608 O ARG A 39 3.029 6.950 2.046 1.00 0.00 O ATOM 609 CB ARG A 39 4.312 9.570 3.765 1.00 0.00 C ATOM 610 CG ARG A 39 5.298 9.665 2.601 1.00 0.00 C ATOM 611 CD ARG A 39 5.654 11.136 2.369 1.00 0.00 C ATOM 612 NE ARG A 39 6.392 11.697 3.507 1.00 0.00 N ATOM 613 CZ ARG A 39 7.720 11.632 3.647 1.00 0.00 C ATOM 614 NH1 ARG A 39 8.479 11.043 2.728 1.00 0.00 N ATOM 615 NH2 ARG A 39 8.298 12.161 4.724 1.00 0.00 N ATOM 0 H ARG A 39 5.034 6.699 3.187 1.00 0.00 H new ATOM 0 HA ARG A 39 3.232 8.137 4.935 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.480 10.250 3.583 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.805 9.907 4.677 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.197 9.090 2.821 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.859 9.237 1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.254 11.228 1.464 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.742 11.711 2.206 1.00 0.00 H new ATOM 0 HE ARG A 39 5.857 12.167 4.238 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.050 10.631 1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.491 11.003 2.852 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.728 12.614 5.438 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.311 12.113 4.834 1.00 0.00 H new ATOM 629 N VAL A 40 1.585 8.400 3.001 1.00 0.00 N ATOM 630 CA VAL A 40 0.439 8.115 2.153 1.00 0.00 C ATOM 631 C VAL A 40 -0.134 9.451 1.695 1.00 0.00 C ATOM 632 O VAL A 40 -0.301 10.362 2.508 1.00 0.00 O ATOM 633 CB VAL A 40 -0.591 7.315 2.962 1.00 0.00 C ATOM 634 CG1 VAL A 40 -1.839 7.035 2.135 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.011 5.978 3.434 1.00 0.00 C ATOM 0 H VAL A 40 1.405 9.137 3.683 1.00 0.00 H new ATOM 0 HA VAL A 40 0.717 7.522 1.282 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.853 7.923 3.828 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.552 6.467 2.733 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.292 7.978 1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.568 6.459 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.765 5.435 4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.287 5.385 2.569 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.859 6.161 4.065 1.00 0.00 H new ATOM 645 N GLY A 41 -0.434 9.573 0.401 1.00 0.00 N ATOM 646 CA GLY A 41 -0.946 10.816 -0.155 1.00 0.00 C ATOM 647 C GLY A 41 -2.465 10.819 -0.142 1.00 0.00 C ATOM 648 O GLY A 41 -3.081 11.884 -0.139 1.00 0.00 O ATOM 0 H GLY A 41 -0.329 8.821 -0.280 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.570 11.661 0.421 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.585 10.941 -1.176 1.00 0.00 H new ATOM 652 N ASP A 42 -3.061 9.626 -0.140 1.00 0.00 N ATOM 653 CA ASP A 42 -4.498 9.478 -0.042 1.00 0.00 C ATOM 654 C ASP A 42 -4.850 8.058 0.387 1.00 0.00 C ATOM 655 O ASP A 42 -4.105 7.115 0.131 1.00 0.00 O ATOM 656 CB ASP A 42 -5.131 9.797 -1.394 1.00 0.00 C ATOM 657 CG ASP A 42 -6.652 9.783 -1.326 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.194 10.230 -0.292 1.00 0.00 O ATOM 659 OD2 ASP A 42 -7.265 9.327 -2.316 1.00 0.00 O ATOM 0 H ASP A 42 -2.555 8.743 -0.206 1.00 0.00 H new ATOM 0 HA ASP A 42 -4.885 10.169 0.707 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.792 10.776 -1.732 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.794 9.070 -2.133 1.00 0.00 H new ATOM 664 N VAL A 43 -5.996 7.913 1.044 1.00 0.00 N ATOM 665 CA VAL A 43 -6.550 6.638 1.465 1.00 0.00 C ATOM 666 C VAL A 43 -8.056 6.830 1.450 1.00 0.00 C ATOM 667 O VAL A 43 -8.631 7.463 2.336 1.00 0.00 O ATOM 668 CB VAL A 43 -5.990 6.201 2.821 1.00 0.00 C ATOM 669 CG1 VAL A 43 -5.852 7.368 3.798 1.00 0.00 C ATOM 670 CG2 VAL A 43 -6.862 5.112 3.439 1.00 0.00 C ATOM 0 H VAL A 43 -6.581 8.707 1.305 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.272 5.821 0.799 1.00 0.00 H new ATOM 0 HB VAL A 43 -4.992 5.806 2.634 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.451 7.005 4.744 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -5.177 8.114 3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -6.830 7.818 3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.446 4.816 4.402 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -7.873 5.493 3.582 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -6.890 4.248 2.775 1.00 0.00 H new ATOM 680 N TYR A 44 -8.694 6.277 0.422 1.00 0.00 N ATOM 681 CA TYR A 44 -10.072 6.596 0.125 1.00 0.00 C ATOM 682 C TYR A 44 -10.757 5.401 -0.534 1.00 0.00 C ATOM 683 O TYR A 44 -10.108 4.488 -1.050 1.00 0.00 O ATOM 684 CB TYR A 44 -9.998 7.838 -0.773 1.00 0.00 C ATOM 685 CG TYR A 44 -11.201 8.164 -1.616 1.00 0.00 C ATOM 686 CD1 TYR A 44 -11.342 7.517 -2.848 1.00 0.00 C ATOM 687 CD2 TYR A 44 -12.145 9.113 -1.195 1.00 0.00 C ATOM 688 CE1 TYR A 44 -12.433 7.818 -3.673 1.00 0.00 C ATOM 689 CE2 TYR A 44 -13.244 9.415 -2.015 1.00 0.00 C ATOM 690 CZ TYR A 44 -13.393 8.757 -3.252 1.00 0.00 C ATOM 691 OH TYR A 44 -14.466 9.022 -4.048 1.00 0.00 O ATOM 0 H TYR A 44 -8.270 5.604 -0.217 1.00 0.00 H new ATOM 0 HA TYR A 44 -10.674 6.807 1.009 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.790 8.699 -0.138 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.144 7.720 -1.439 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -10.611 6.787 -3.162 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -12.027 9.610 -0.243 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.537 7.330 -4.631 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -13.972 10.148 -1.699 1.00 0.00 H new ATOM 0 HH TYR A 44 -14.163 9.460 -4.871 1.00 0.00 H new ATOM 701 N ILE A 45 -12.089 5.420 -0.509 1.00 0.00 N ATOM 702 CA ILE A 45 -12.916 4.316 -0.980 1.00 0.00 C ATOM 703 C ILE A 45 -14.046 4.866 -1.852 1.00 0.00 C ATOM 704 O ILE A 45 -14.712 5.821 -1.454 1.00 0.00 O ATOM 705 CB ILE A 45 -13.465 3.558 0.242 1.00 0.00 C ATOM 706 CG1 ILE A 45 -12.287 3.134 1.129 1.00 0.00 C ATOM 707 CG2 ILE A 45 -14.281 2.326 -0.169 1.00 0.00 C ATOM 708 CD1 ILE A 45 -12.666 2.074 2.161 1.00 0.00 C ATOM 0 H ILE A 45 -12.627 6.212 -0.157 1.00 0.00 H new ATOM 0 HA ILE A 45 -12.331 3.624 -1.586 1.00 0.00 H new ATOM 0 HB ILE A 45 -14.135 4.222 0.789 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -11.485 2.749 0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -11.894 4.010 1.644 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -14.650 1.820 0.723 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.125 2.637 -0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -13.649 1.644 -0.738 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -11.790 1.817 2.757 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.447 2.464 2.814 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.032 1.183 1.650 1.00 0.00 H new ATOM 720 N PRO A 46 -14.272 4.274 -3.032 1.00 0.00 N ATOM 721 CA PRO A 46 -15.286 4.733 -3.965 1.00 0.00 C ATOM 722 C PRO A 46 -16.688 4.500 -3.418 1.00 0.00 C ATOM 723 O PRO A 46 -17.595 5.257 -3.748 1.00 0.00 O ATOM 724 CB PRO A 46 -15.051 3.927 -5.240 1.00 0.00 C ATOM 725 CG PRO A 46 -14.376 2.650 -4.749 1.00 0.00 C ATOM 726 CD PRO A 46 -13.551 3.135 -3.561 1.00 0.00 C ATOM 0 HA PRO A 46 -15.212 5.806 -4.144 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -15.987 3.711 -5.754 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.418 4.468 -5.944 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -15.105 1.896 -4.453 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -13.749 2.202 -5.520 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.447 2.352 -2.809 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.544 3.416 -3.870 1.00 0.00 H new ATOM 734 N ARG A 47 -16.851 3.456 -2.590 1.00 0.00 N ATOM 735 CA ARG A 47 -18.090 3.073 -1.915 1.00 0.00 C ATOM 736 C ARG A 47 -19.363 3.281 -2.745 1.00 0.00 C ATOM 737 O ARG A 47 -20.425 3.551 -2.186 1.00 0.00 O ATOM 738 CB ARG A 47 -18.158 3.755 -0.539 1.00 0.00 C ATOM 739 CG ARG A 47 -18.245 5.279 -0.652 1.00 0.00 C ATOM 740 CD ARG A 47 -18.256 5.926 0.733 1.00 0.00 C ATOM 741 NE ARG A 47 -19.460 5.564 1.489 1.00 0.00 N ATOM 742 CZ ARG A 47 -19.606 5.774 2.801 1.00 0.00 C ATOM 743 NH1 ARG A 47 -18.633 6.338 3.511 1.00 0.00 N ATOM 744 NH2 ARG A 47 -20.733 5.420 3.409 1.00 0.00 N ATOM 0 H ARG A 47 -16.080 2.828 -2.365 1.00 0.00 H new ATOM 0 HA ARG A 47 -18.056 1.992 -1.777 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -19.025 3.383 0.006 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -17.276 3.485 0.042 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.399 5.654 -1.227 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -19.148 5.557 -1.195 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -17.370 5.615 1.287 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -18.203 7.010 0.629 1.00 0.00 H new ATOM 0 HE ARG A 47 -20.231 5.127 0.984 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -17.764 6.615 3.055 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -18.756 6.493 4.512 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -21.487 4.988 2.875 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -20.844 5.580 4.410 1.00 0.00 H new ATOM 758 N ASP A 48 -19.263 3.161 -4.074 1.00 0.00 N ATOM 759 CA ASP A 48 -20.360 3.426 -4.993 1.00 0.00 C ATOM 760 C ASP A 48 -21.011 4.784 -4.760 1.00 0.00 C ATOM 761 O ASP A 48 -22.081 5.042 -5.296 1.00 0.00 O ATOM 762 CB ASP A 48 -21.378 2.291 -4.906 1.00 0.00 C ATOM 763 CG ASP A 48 -20.711 0.923 -5.057 1.00 0.00 C ATOM 764 OD1 ASP A 48 -20.568 0.480 -6.217 1.00 0.00 O ATOM 765 OD2 ASP A 48 -20.354 0.333 -4.012 1.00 0.00 O ATOM 0 H ASP A 48 -18.403 2.873 -4.541 1.00 0.00 H new ATOM 0 HA ASP A 48 -19.952 3.467 -6.003 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.897 2.340 -3.949 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.131 2.417 -5.684 1.00 0.00 H new ATOM 770 N ARG A 49 -20.357 5.626 -3.959 1.00 0.00 N ATOM 771 CA ARG A 49 -20.762 6.956 -3.543 1.00 0.00 C ATOM 772 C ARG A 49 -22.169 7.074 -2.932 1.00 0.00 C ATOM 773 O ARG A 49 -22.467 8.097 -2.317 1.00 0.00 O ATOM 774 CB ARG A 49 -20.497 7.906 -4.714 1.00 0.00 C ATOM 775 CG ARG A 49 -20.955 9.339 -4.444 1.00 0.00 C ATOM 776 CD ARG A 49 -20.585 10.195 -5.648 1.00 0.00 C ATOM 777 NE ARG A 49 -20.971 11.597 -5.453 1.00 0.00 N ATOM 778 CZ ARG A 49 -22.203 12.075 -5.651 1.00 0.00 C ATOM 779 NH1 ARG A 49 -23.196 11.285 -6.049 1.00 0.00 N ATOM 780 NH2 ARG A 49 -22.451 13.366 -5.441 1.00 0.00 N ATOM 0 H ARG A 49 -19.457 5.367 -3.555 1.00 0.00 H new ATOM 0 HA ARG A 49 -20.155 7.244 -2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.430 7.909 -4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -21.007 7.530 -5.601 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -22.031 9.368 -4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -20.480 9.726 -3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -19.511 10.134 -5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -21.075 9.802 -6.539 1.00 0.00 H new ATOM 0 HE ARG A 49 -20.251 12.251 -5.146 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -23.025 10.292 -6.209 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -24.129 11.672 -6.194 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -21.702 13.985 -5.130 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -23.390 13.736 -5.591 1.00 0.00 H new ATOM 794 N TYR A 50 -23.035 6.068 -3.068 1.00 0.00 N ATOM 795 CA TYR A 50 -24.372 6.112 -2.486 1.00 0.00 C ATOM 796 C TYR A 50 -24.966 4.724 -2.229 1.00 0.00 C ATOM 797 O TYR A 50 -26.120 4.628 -1.811 1.00 0.00 O ATOM 798 CB TYR A 50 -25.306 6.914 -3.398 1.00 0.00 C ATOM 799 CG TYR A 50 -25.538 6.282 -4.754 1.00 0.00 C ATOM 800 CD1 TYR A 50 -24.531 6.337 -5.724 1.00 0.00 C ATOM 801 CD2 TYR A 50 -26.753 5.642 -5.040 1.00 0.00 C ATOM 802 CE1 TYR A 50 -24.721 5.741 -6.979 1.00 0.00 C ATOM 803 CE2 TYR A 50 -26.962 5.056 -6.299 1.00 0.00 C ATOM 804 CZ TYR A 50 -25.944 5.101 -7.275 1.00 0.00 C ATOM 805 OH TYR A 50 -26.134 4.527 -8.497 1.00 0.00 O ATOM 0 H TYR A 50 -22.830 5.210 -3.580 1.00 0.00 H new ATOM 0 HA TYR A 50 -24.277 6.597 -1.515 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -26.266 7.038 -2.898 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -24.889 7.911 -3.540 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -23.602 6.842 -5.505 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -27.529 5.600 -4.290 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -23.934 5.772 -7.717 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -27.901 4.571 -6.520 1.00 0.00 H new ATOM 0 HH TYR A 50 -27.029 4.129 -8.536 1.00 0.00 H new ATOM 815 N THR A 51 -24.211 3.644 -2.467 1.00 0.00 N ATOM 816 CA THR A 51 -24.721 2.286 -2.235 1.00 0.00 C ATOM 817 C THR A 51 -23.820 1.488 -1.296 1.00 0.00 C ATOM 818 O THR A 51 -24.305 0.571 -0.636 1.00 0.00 O ATOM 819 CB THR A 51 -24.901 1.529 -3.557 1.00 0.00 C ATOM 820 OG1 THR A 51 -23.713 0.852 -3.890 1.00 0.00 O ATOM 821 CG2 THR A 51 -25.244 2.460 -4.717 1.00 0.00 C ATOM 0 H THR A 51 -23.254 3.682 -2.817 1.00 0.00 H new ATOM 0 HA THR A 51 -25.694 2.395 -1.755 1.00 0.00 H new ATOM 0 HB THR A 51 -25.726 0.832 -3.406 1.00 0.00 H new ATOM 0 HG1 THR A 51 -23.837 0.370 -4.734 1.00 0.00 H new ATOM 0 HG21 THR A 51 -25.361 1.876 -5.630 1.00 0.00 H new ATOM 0 HG22 THR A 51 -26.175 2.984 -4.500 1.00 0.00 H new ATOM 0 HG23 THR A 51 -24.442 3.185 -4.851 1.00 0.00 H new ATOM 828 N LYS A 52 -22.530 1.843 -1.240 1.00 0.00 N ATOM 829 CA LYS A 52 -21.481 1.222 -0.431 1.00 0.00 C ATOM 830 C LYS A 52 -21.540 -0.306 -0.357 1.00 0.00 C ATOM 831 O LYS A 52 -20.996 -0.896 0.577 1.00 0.00 O ATOM 832 CB LYS A 52 -21.386 1.873 0.956 1.00 0.00 C ATOM 833 CG LYS A 52 -22.602 1.615 1.850 1.00 0.00 C ATOM 834 CD LYS A 52 -23.633 2.739 1.748 1.00 0.00 C ATOM 835 CE LYS A 52 -24.846 2.405 2.615 1.00 0.00 C ATOM 836 NZ LYS A 52 -25.565 1.218 2.120 1.00 0.00 N ATOM 0 H LYS A 52 -22.172 2.621 -1.794 1.00 0.00 H new ATOM 0 HA LYS A 52 -20.552 1.422 -0.965 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -20.493 1.503 1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -21.260 2.949 0.833 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -23.066 0.670 1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -22.277 1.514 2.885 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -23.191 3.681 2.071 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -23.940 2.871 0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -24.522 2.231 3.641 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -25.524 3.258 2.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -26.579 1.434 2.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -25.195 0.953 1.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -25.429 0.428 2.783 1.00 0.00 H new ATOM 850 N GLU A 53 -22.192 -0.964 -1.321 1.00 0.00 N ATOM 851 CA GLU A 53 -22.336 -2.413 -1.285 1.00 0.00 C ATOM 852 C GLU A 53 -21.061 -3.136 -1.724 1.00 0.00 C ATOM 853 O GLU A 53 -20.960 -4.347 -1.539 1.00 0.00 O ATOM 854 CB GLU A 53 -23.531 -2.848 -2.145 1.00 0.00 C ATOM 855 CG GLU A 53 -23.315 -2.553 -3.628 1.00 0.00 C ATOM 856 CD GLU A 53 -24.499 -3.042 -4.461 1.00 0.00 C ATOM 857 OE1 GLU A 53 -25.449 -2.247 -4.647 1.00 0.00 O ATOM 858 OE2 GLU A 53 -24.450 -4.209 -4.908 1.00 0.00 O ATOM 0 H GLU A 53 -22.624 -0.515 -2.129 1.00 0.00 H new ATOM 0 HA GLU A 53 -22.519 -2.697 -0.249 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.703 -3.916 -2.010 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -24.429 -2.335 -1.802 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -23.181 -1.481 -3.774 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.400 -3.038 -3.970 1.00 0.00 H new ATOM 865 N SER A 54 -20.093 -2.412 -2.298 1.00 0.00 N ATOM 866 CA SER A 54 -18.838 -3.010 -2.727 1.00 0.00 C ATOM 867 C SER A 54 -17.860 -3.113 -1.555 1.00 0.00 C ATOM 868 O SER A 54 -17.692 -4.192 -0.989 1.00 0.00 O ATOM 869 CB SER A 54 -18.235 -2.174 -3.857 1.00 0.00 C ATOM 870 OG SER A 54 -17.036 -2.775 -4.291 1.00 0.00 O ATOM 0 H SER A 54 -20.162 -1.410 -2.473 1.00 0.00 H new ATOM 0 HA SER A 54 -19.032 -4.019 -3.092 1.00 0.00 H new ATOM 0 HB2 SER A 54 -18.939 -2.100 -4.686 1.00 0.00 H new ATOM 0 HB3 SER A 54 -18.042 -1.159 -3.511 1.00 0.00 H new ATOM 0 HG SER A 54 -16.647 -2.243 -5.016 1.00 0.00 H new ATOM 876 N ARG A 55 -17.229 -1.985 -1.208 1.00 0.00 N ATOM 877 CA ARG A 55 -16.202 -1.825 -0.176 1.00 0.00 C ATOM 878 C ARG A 55 -15.171 -2.953 -0.078 1.00 0.00 C ATOM 879 O ARG A 55 -14.474 -3.060 0.930 1.00 0.00 O ATOM 880 CB ARG A 55 -16.850 -1.471 1.168 1.00 0.00 C ATOM 881 CG ARG A 55 -17.857 -2.498 1.709 1.00 0.00 C ATOM 882 CD ARG A 55 -17.224 -3.823 2.145 1.00 0.00 C ATOM 883 NE ARG A 55 -16.228 -3.623 3.208 1.00 0.00 N ATOM 884 CZ ARG A 55 -15.218 -4.466 3.452 1.00 0.00 C ATOM 885 NH1 ARG A 55 -15.071 -5.582 2.741 1.00 0.00 N ATOM 886 NH2 ARG A 55 -14.338 -4.201 4.412 1.00 0.00 N ATOM 0 H ARG A 55 -17.438 -1.101 -1.673 1.00 0.00 H new ATOM 0 HA ARG A 55 -15.587 -0.985 -0.498 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -16.061 -1.338 1.908 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -17.356 -0.511 1.066 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -18.384 -2.062 2.558 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -18.603 -2.699 0.940 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -18.002 -4.500 2.497 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -16.751 -4.300 1.287 1.00 0.00 H new ATOM 0 HE ARG A 55 -16.312 -2.792 3.794 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.734 -5.804 1.998 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.296 -6.215 2.939 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -14.430 -3.351 4.968 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.570 -4.848 4.593 1.00 0.00 H new ATOM 900 N GLY A 56 -15.058 -3.801 -1.106 1.00 0.00 N ATOM 901 CA GLY A 56 -14.122 -4.916 -1.108 1.00 0.00 C ATOM 902 C GLY A 56 -12.666 -4.459 -1.187 1.00 0.00 C ATOM 903 O GLY A 56 -11.758 -5.286 -1.150 1.00 0.00 O ATOM 0 H GLY A 56 -15.616 -3.728 -1.957 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.265 -5.508 -0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.341 -5.568 -1.953 1.00 0.00 H new ATOM 907 N PHE A 57 -12.444 -3.146 -1.297 1.00 0.00 N ATOM 908 CA PHE A 57 -11.116 -2.573 -1.404 1.00 0.00 C ATOM 909 C PHE A 57 -11.129 -1.128 -0.922 1.00 0.00 C ATOM 910 O PHE A 57 -12.189 -0.552 -0.695 1.00 0.00 O ATOM 911 CB PHE A 57 -10.651 -2.645 -2.861 1.00 0.00 C ATOM 912 CG PHE A 57 -11.527 -1.898 -3.839 1.00 0.00 C ATOM 913 CD1 PHE A 57 -12.771 -2.427 -4.219 1.00 0.00 C ATOM 914 CD2 PHE A 57 -11.097 -0.669 -4.366 1.00 0.00 C ATOM 915 CE1 PHE A 57 -13.570 -1.740 -5.141 1.00 0.00 C ATOM 916 CE2 PHE A 57 -11.900 0.015 -5.286 1.00 0.00 C ATOM 917 CZ PHE A 57 -13.138 -0.517 -5.674 1.00 0.00 C ATOM 0 H PHE A 57 -13.192 -2.453 -1.314 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.425 -3.137 -0.778 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.638 -2.249 -2.925 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.604 -3.692 -3.162 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.111 -3.363 -3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.148 -0.252 -4.062 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.521 -2.153 -5.442 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.565 0.955 -5.698 1.00 0.00 H new ATOM 0 HZ PHE A 57 -13.757 0.014 -6.382 1.00 0.00 H new ATOM 927 N ALA A 58 -9.932 -0.556 -0.772 1.00 0.00 N ATOM 928 CA ALA A 58 -9.741 0.834 -0.388 1.00 0.00 C ATOM 929 C ALA A 58 -8.499 1.342 -1.101 1.00 0.00 C ATOM 930 O ALA A 58 -7.383 1.025 -0.698 1.00 0.00 O ATOM 931 CB ALA A 58 -9.590 0.955 1.131 1.00 0.00 C ATOM 0 H ALA A 58 -9.057 -1.059 -0.918 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.606 1.432 -0.673 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.448 2.002 1.400 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.488 0.574 1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.726 0.376 1.458 1.00 0.00 H new ATOM 937 N PHE A 59 -8.713 2.129 -2.158 1.00 0.00 N ATOM 938 CA PHE A 59 -7.656 2.622 -3.022 1.00 0.00 C ATOM 939 C PHE A 59 -6.766 3.578 -2.221 1.00 0.00 C ATOM 940 O PHE A 59 -7.035 4.776 -2.144 1.00 0.00 O ATOM 941 CB PHE A 59 -8.299 3.255 -4.267 1.00 0.00 C ATOM 942 CG PHE A 59 -7.384 4.002 -5.222 1.00 0.00 C ATOM 943 CD1 PHE A 59 -7.168 5.369 -5.017 1.00 0.00 C ATOM 944 CD2 PHE A 59 -6.764 3.368 -6.319 1.00 0.00 C ATOM 945 CE1 PHE A 59 -6.331 6.094 -5.871 1.00 0.00 C ATOM 946 CE2 PHE A 59 -5.892 4.089 -7.147 1.00 0.00 C ATOM 947 CZ PHE A 59 -5.657 5.447 -6.916 1.00 0.00 C ATOM 0 H PHE A 59 -9.643 2.442 -2.436 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.006 1.822 -3.376 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.798 2.464 -4.827 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.073 3.946 -3.932 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.652 5.869 -4.191 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.961 2.326 -6.521 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.203 7.156 -5.725 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.399 3.591 -7.969 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.962 5.993 -7.537 1.00 0.00 H new ATOM 957 N VAL A 60 -5.697 3.038 -1.620 1.00 0.00 N ATOM 958 CA VAL A 60 -4.709 3.870 -0.944 1.00 0.00 C ATOM 959 C VAL A 60 -3.679 4.305 -1.975 1.00 0.00 C ATOM 960 O VAL A 60 -3.502 3.624 -2.983 1.00 0.00 O ATOM 961 CB VAL A 60 -4.051 3.128 0.220 1.00 0.00 C ATOM 962 CG1 VAL A 60 -2.990 3.975 0.921 1.00 0.00 C ATOM 963 CG2 VAL A 60 -5.124 2.794 1.251 1.00 0.00 C ATOM 0 H VAL A 60 -5.501 2.037 -1.591 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.197 4.744 -0.512 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.573 2.236 -0.186 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.552 3.405 1.740 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.210 4.244 0.209 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.450 4.881 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.671 2.264 2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.583 3.715 1.610 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.886 2.164 0.792 1.00 0.00 H new ATOM 973 N ARG A 61 -3.005 5.433 -1.727 1.00 0.00 N ATOM 974 CA ARG A 61 -2.117 6.030 -2.703 1.00 0.00 C ATOM 975 C ARG A 61 -0.833 6.535 -2.047 1.00 0.00 C ATOM 976 O ARG A 61 -0.895 7.216 -1.027 1.00 0.00 O ATOM 977 CB ARG A 61 -2.899 7.154 -3.395 1.00 0.00 C ATOM 978 CG ARG A 61 -2.224 7.565 -4.699 1.00 0.00 C ATOM 979 CD ARG A 61 -3.073 8.643 -5.367 1.00 0.00 C ATOM 980 NE ARG A 61 -2.802 8.675 -6.804 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.734 8.868 -7.736 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.989 9.140 -7.402 1.00 0.00 N ATOM 983 NH2 ARG A 61 -3.404 8.793 -9.021 1.00 0.00 N ATOM 0 H ARG A 61 -3.066 5.947 -0.848 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.798 5.294 -3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.918 6.823 -3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.970 8.015 -2.731 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.220 7.941 -4.503 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.119 6.704 -5.358 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -4.130 8.445 -5.192 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.854 9.615 -4.926 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.839 8.541 -7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.253 9.204 -6.419 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.690 9.285 -8.129 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.441 8.589 -9.289 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.113 8.940 -9.739 1.00 0.00 H new ATOM 997 N PHE A 62 0.332 6.202 -2.621 1.00 0.00 N ATOM 998 CA PHE A 62 1.621 6.652 -2.078 1.00 0.00 C ATOM 999 C PHE A 62 2.331 7.584 -3.050 1.00 0.00 C ATOM 1000 O PHE A 62 1.912 7.732 -4.195 1.00 0.00 O ATOM 1001 CB PHE A 62 2.561 5.476 -1.797 1.00 0.00 C ATOM 1002 CG PHE A 62 2.294 4.673 -0.543 1.00 0.00 C ATOM 1003 CD1 PHE A 62 1.040 4.089 -0.303 1.00 0.00 C ATOM 1004 CD2 PHE A 62 3.333 4.511 0.383 1.00 0.00 C ATOM 1005 CE1 PHE A 62 0.832 3.320 0.851 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.142 3.715 1.517 1.00 0.00 C ATOM 1007 CZ PHE A 62 1.900 3.111 1.742 1.00 0.00 C ATOM 0 H PHE A 62 0.408 5.625 -3.458 1.00 0.00 H new ATOM 0 HA PHE A 62 1.392 7.173 -1.148 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.521 4.798 -2.649 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.579 5.861 -1.744 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.235 4.232 -1.008 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.282 5.001 0.221 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.139 2.892 1.054 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.951 3.567 2.217 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.760 2.479 2.607 1.00 0.00 H new ATOM 1017 N HIS A 63 3.419 8.203 -2.582 1.00 0.00 N ATOM 1018 CA HIS A 63 4.200 9.134 -3.382 1.00 0.00 C ATOM 1019 C HIS A 63 5.690 8.818 -3.385 1.00 0.00 C ATOM 1020 O HIS A 63 6.357 9.058 -4.391 1.00 0.00 O ATOM 1021 CB HIS A 63 3.984 10.577 -2.918 1.00 0.00 C ATOM 1022 CG HIS A 63 3.305 10.822 -1.585 1.00 0.00 C ATOM 1023 ND1 HIS A 63 2.354 11.827 -1.399 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.493 10.164 -0.392 1.00 0.00 C ATOM 1025 CE1 HIS A 63 2.002 11.764 -0.111 1.00 0.00 C ATOM 1026 NE2 HIS A 63 2.661 10.775 0.518 1.00 0.00 N ATOM 0 H HIS A 63 3.778 8.069 -1.637 1.00 0.00 H new ATOM 0 HA HIS A 63 3.839 9.020 -4.404 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.959 11.063 -2.886 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.400 11.086 -3.684 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.159 9.335 -0.207 1.00 0.00 H new ATOM 0 HE1 HIS A 63 1.285 12.419 0.361 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.561 10.521 1.501 1.00 0.00 H new ATOM 1034 N ASP A 64 6.217 8.288 -2.284 1.00 0.00 N ATOM 1035 CA ASP A 64 7.613 7.889 -2.213 1.00 0.00 C ATOM 1036 C ASP A 64 7.793 6.537 -2.893 1.00 0.00 C ATOM 1037 O ASP A 64 7.157 5.564 -2.503 1.00 0.00 O ATOM 1038 CB ASP A 64 8.019 7.778 -0.749 1.00 0.00 C ATOM 1039 CG ASP A 64 8.544 9.106 -0.225 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.757 9.352 -0.402 1.00 0.00 O ATOM 1041 OD2 ASP A 64 7.730 9.865 0.347 1.00 0.00 O ATOM 0 H ASP A 64 5.691 8.126 -1.425 1.00 0.00 H new ATOM 0 HA ASP A 64 8.235 8.629 -2.716 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.163 7.461 -0.154 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.785 7.011 -0.638 1.00 0.00 H new ATOM 1046 N LYS A 65 8.662 6.476 -3.907 1.00 0.00 N ATOM 1047 CA LYS A 65 8.937 5.227 -4.601 1.00 0.00 C ATOM 1048 C LYS A 65 9.466 4.190 -3.619 1.00 0.00 C ATOM 1049 O LYS A 65 8.912 3.098 -3.532 1.00 0.00 O ATOM 1050 CB LYS A 65 9.933 5.480 -5.734 1.00 0.00 C ATOM 1051 CG LYS A 65 10.526 4.193 -6.323 1.00 0.00 C ATOM 1052 CD LYS A 65 9.467 3.185 -6.782 1.00 0.00 C ATOM 1053 CE LYS A 65 8.500 3.768 -7.809 1.00 0.00 C ATOM 1054 NZ LYS A 65 9.191 4.148 -9.060 1.00 0.00 N ATOM 0 H LYS A 65 9.183 7.279 -4.260 1.00 0.00 H new ATOM 0 HA LYS A 65 8.016 4.837 -5.034 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.436 6.038 -6.527 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.743 6.108 -5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.162 4.450 -7.170 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.165 3.722 -5.576 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.963 2.314 -7.210 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.904 2.837 -5.916 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.722 3.038 -8.031 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.005 4.643 -7.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.496 4.508 -9.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.893 4.888 -8.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.670 3.315 -9.459 1.00 0.00 H new ATOM 1068 N ARG A 66 10.528 4.526 -2.880 1.00 0.00 N ATOM 1069 CA ARG A 66 11.172 3.582 -1.977 1.00 0.00 C ATOM 1070 C ARG A 66 10.220 3.041 -0.913 1.00 0.00 C ATOM 1071 O ARG A 66 10.345 1.887 -0.510 1.00 0.00 O ATOM 1072 CB ARG A 66 12.438 4.194 -1.360 1.00 0.00 C ATOM 1073 CG ARG A 66 12.190 5.353 -0.384 1.00 0.00 C ATOM 1074 CD ARG A 66 11.719 6.649 -1.057 1.00 0.00 C ATOM 1075 NE ARG A 66 12.665 7.095 -2.085 1.00 0.00 N ATOM 1076 CZ ARG A 66 12.676 8.318 -2.623 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.814 9.254 -2.233 1.00 0.00 N ATOM 1078 NH2 ARG A 66 13.565 8.614 -3.569 1.00 0.00 N ATOM 0 H ARG A 66 10.958 5.451 -2.894 1.00 0.00 H new ATOM 0 HA ARG A 66 11.472 2.720 -2.573 1.00 0.00 H new ATOM 0 HB2 ARG A 66 12.985 3.409 -0.837 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.081 4.548 -2.165 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.443 5.044 0.348 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.110 5.555 0.165 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.739 6.491 -1.507 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.603 7.429 -0.305 1.00 0.00 H new ATOM 0 HE ARG A 66 13.362 6.426 -2.412 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.126 9.044 -1.509 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.841 10.181 -2.658 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.233 7.909 -3.880 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.578 9.546 -3.983 1.00 0.00 H new ATOM 1092 N ASP A 67 9.260 3.853 -0.459 1.00 0.00 N ATOM 1093 CA ASP A 67 8.328 3.415 0.569 1.00 0.00 C ATOM 1094 C ASP A 67 7.154 2.668 -0.056 1.00 0.00 C ATOM 1095 O ASP A 67 6.481 1.895 0.629 1.00 0.00 O ATOM 1096 CB ASP A 67 7.822 4.621 1.360 1.00 0.00 C ATOM 1097 CG ASP A 67 8.954 5.349 2.081 1.00 0.00 C ATOM 1098 OD1 ASP A 67 9.932 4.676 2.477 1.00 0.00 O ATOM 1099 OD2 ASP A 67 8.830 6.587 2.230 1.00 0.00 O ATOM 0 H ASP A 67 9.113 4.807 -0.787 1.00 0.00 H new ATOM 0 HA ASP A 67 8.848 2.737 1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.319 5.313 0.684 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.081 4.292 2.088 1.00 0.00 H new ATOM 1104 N ALA A 68 6.900 2.887 -1.351 1.00 0.00 N ATOM 1105 CA ALA A 68 5.818 2.245 -2.058 1.00 0.00 C ATOM 1106 C ALA A 68 6.223 0.838 -2.474 1.00 0.00 C ATOM 1107 O ALA A 68 5.432 -0.099 -2.357 1.00 0.00 O ATOM 1108 CB ALA A 68 5.512 3.082 -3.301 1.00 0.00 C ATOM 0 H ALA A 68 7.451 3.521 -1.930 1.00 0.00 H new ATOM 0 HA ALA A 68 4.940 2.172 -1.416 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.696 2.621 -3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.223 4.089 -3.000 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.399 3.133 -3.932 1.00 0.00 H new ATOM 1114 N GLU A 69 7.456 0.669 -2.964 1.00 0.00 N ATOM 1115 CA GLU A 69 7.933 -0.647 -3.351 1.00 0.00 C ATOM 1116 C GLU A 69 8.237 -1.490 -2.116 1.00 0.00 C ATOM 1117 O GLU A 69 8.189 -2.713 -2.188 1.00 0.00 O ATOM 1118 CB GLU A 69 9.155 -0.555 -4.265 1.00 0.00 C ATOM 1119 CG GLU A 69 10.337 0.143 -3.591 1.00 0.00 C ATOM 1120 CD GLU A 69 11.626 -0.067 -4.385 1.00 0.00 C ATOM 1121 OE1 GLU A 69 11.857 0.716 -5.331 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.371 -1.010 -4.037 1.00 0.00 O ATOM 0 H GLU A 69 8.129 1.423 -3.098 1.00 0.00 H new ATOM 0 HA GLU A 69 7.140 -1.137 -3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.454 -1.558 -4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.887 -0.014 -5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.131 1.210 -3.502 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.462 -0.243 -2.579 1.00 0.00 H new ATOM 1129 N ASP A 70 8.548 -0.857 -0.978 1.00 0.00 N ATOM 1130 CA ASP A 70 8.817 -1.598 0.244 1.00 0.00 C ATOM 1131 C ASP A 70 7.518 -2.144 0.832 1.00 0.00 C ATOM 1132 O ASP A 70 7.453 -3.318 1.184 1.00 0.00 O ATOM 1133 CB ASP A 70 9.526 -0.693 1.248 1.00 0.00 C ATOM 1134 CG ASP A 70 9.917 -1.457 2.509 1.00 0.00 C ATOM 1135 OD1 ASP A 70 10.734 -2.398 2.379 1.00 0.00 O ATOM 1136 OD2 ASP A 70 9.402 -1.097 3.589 1.00 0.00 O ATOM 0 H ASP A 70 8.617 0.156 -0.885 1.00 0.00 H new ATOM 0 HA ASP A 70 9.465 -2.443 0.014 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.418 -0.266 0.789 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.874 0.140 1.513 1.00 0.00 H new ATOM 1141 N ALA A 71 6.477 -1.307 0.940 1.00 0.00 N ATOM 1142 CA ALA A 71 5.198 -1.745 1.481 1.00 0.00 C ATOM 1143 C ALA A 71 4.604 -2.849 0.611 1.00 0.00 C ATOM 1144 O ALA A 71 3.904 -3.733 1.104 1.00 0.00 O ATOM 1145 CB ALA A 71 4.243 -0.555 1.546 1.00 0.00 C ATOM 0 H ALA A 71 6.502 -0.327 0.659 1.00 0.00 H new ATOM 0 HA ALA A 71 5.350 -2.143 2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.284 -0.880 1.951 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.666 0.216 2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.096 -0.151 0.544 1.00 0.00 H new ATOM 1151 N MET A 72 4.885 -2.797 -0.691 1.00 0.00 N ATOM 1152 CA MET A 72 4.448 -3.806 -1.637 1.00 0.00 C ATOM 1153 C MET A 72 5.266 -5.080 -1.472 1.00 0.00 C ATOM 1154 O MET A 72 4.715 -6.179 -1.493 1.00 0.00 O ATOM 1155 CB MET A 72 4.647 -3.220 -3.028 1.00 0.00 C ATOM 1156 CG MET A 72 4.591 -4.251 -4.147 1.00 0.00 C ATOM 1157 SD MET A 72 4.361 -3.512 -5.788 1.00 0.00 S ATOM 1158 CE MET A 72 5.537 -2.134 -5.714 1.00 0.00 C ATOM 0 H MET A 72 5.427 -2.044 -1.115 1.00 0.00 H new ATOM 0 HA MET A 72 3.403 -4.069 -1.472 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.882 -2.464 -3.206 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.611 -2.713 -3.063 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.513 -4.832 -4.143 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.775 -4.947 -3.951 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.643 -1.692 -6.705 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.170 -1.380 -5.018 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.506 -2.500 -5.375 1.00 0.00 H new ATOM 1168 N ASP A 73 6.583 -4.941 -1.302 1.00 0.00 N ATOM 1169 CA ASP A 73 7.467 -6.085 -1.168 1.00 0.00 C ATOM 1170 C ASP A 73 7.443 -6.640 0.260 1.00 0.00 C ATOM 1171 O ASP A 73 8.178 -7.577 0.576 1.00 0.00 O ATOM 1172 CB ASP A 73 8.883 -5.673 -1.575 1.00 0.00 C ATOM 1173 CG ASP A 73 9.829 -6.866 -1.642 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.517 -7.806 -2.403 1.00 0.00 O ATOM 1175 OD2 ASP A 73 10.861 -6.830 -0.931 1.00 0.00 O ATOM 0 H ASP A 73 7.056 -4.039 -1.255 1.00 0.00 H new ATOM 0 HA ASP A 73 7.122 -6.882 -1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.852 -5.180 -2.547 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.268 -4.945 -0.861 1.00 0.00 H new ATOM 1180 N ALA A 74 6.607 -6.069 1.136 1.00 0.00 N ATOM 1181 CA ALA A 74 6.566 -6.452 2.537 1.00 0.00 C ATOM 1182 C ALA A 74 5.159 -6.741 3.041 1.00 0.00 C ATOM 1183 O ALA A 74 5.008 -7.178 4.182 1.00 0.00 O ATOM 1184 CB ALA A 74 7.169 -5.312 3.345 1.00 0.00 C ATOM 0 H ALA A 74 5.946 -5.333 0.887 1.00 0.00 H new ATOM 0 HA ALA A 74 7.129 -7.378 2.652 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.153 -5.569 4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.198 -5.146 3.027 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.588 -4.404 3.183 1.00 0.00 H new ATOM 1190 N MET A 75 4.122 -6.513 2.222 1.00 0.00 N ATOM 1191 CA MET A 75 2.766 -6.823 2.650 1.00 0.00 C ATOM 1192 C MET A 75 1.901 -7.486 1.582 1.00 0.00 C ATOM 1193 O MET A 75 1.008 -8.253 1.935 1.00 0.00 O ATOM 1194 CB MET A 75 2.067 -5.548 3.109 1.00 0.00 C ATOM 1195 CG MET A 75 1.152 -5.879 4.283 1.00 0.00 C ATOM 1196 SD MET A 75 -0.080 -4.610 4.672 1.00 0.00 S ATOM 1197 CE MET A 75 1.019 -3.212 4.997 1.00 0.00 C ATOM 0 H MET A 75 4.200 -6.124 1.282 1.00 0.00 H new ATOM 0 HA MET A 75 2.876 -7.543 3.461 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.803 -4.800 3.404 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.489 -5.120 2.290 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.634 -6.814 4.069 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.767 -6.051 5.167 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.431 -2.298 5.080 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.558 -3.382 5.929 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.732 -3.112 4.179 1.00 0.00 H new ATOM 1207 N ASP A 76 2.127 -7.224 0.289 1.00 0.00 N ATOM 1208 CA ASP A 76 1.289 -7.878 -0.702 1.00 0.00 C ATOM 1209 C ASP A 76 1.508 -9.387 -0.654 1.00 0.00 C ATOM 1210 O ASP A 76 2.628 -9.872 -0.489 1.00 0.00 O ATOM 1211 CB ASP A 76 1.580 -7.341 -2.105 1.00 0.00 C ATOM 1212 CG ASP A 76 1.205 -8.341 -3.196 1.00 0.00 C ATOM 1213 OD1 ASP A 76 -0.014 -8.531 -3.404 1.00 0.00 O ATOM 1214 OD2 ASP A 76 2.138 -8.905 -3.813 1.00 0.00 O ATOM 0 H ASP A 76 2.845 -6.597 -0.075 1.00 0.00 H new ATOM 0 HA ASP A 76 0.246 -7.662 -0.469 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.027 -6.414 -2.259 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.639 -7.098 -2.186 1.00 0.00 H new ATOM 1219 N GLY A 77 0.407 -10.126 -0.798 1.00 0.00 N ATOM 1220 CA GLY A 77 0.426 -11.581 -0.833 1.00 0.00 C ATOM 1221 C GLY A 77 0.623 -12.202 0.549 1.00 0.00 C ATOM 1222 O GLY A 77 0.783 -13.417 0.651 1.00 0.00 O ATOM 0 H GLY A 77 -0.526 -9.725 -0.894 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.510 -11.942 -1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.226 -11.914 -1.494 1.00 0.00 H new ATOM 1226 N ALA A 78 0.609 -11.391 1.614 1.00 0.00 N ATOM 1227 CA ALA A 78 0.789 -11.876 2.978 1.00 0.00 C ATOM 1228 C ALA A 78 -0.517 -12.451 3.526 1.00 0.00 C ATOM 1229 O ALA A 78 -0.795 -12.374 4.723 1.00 0.00 O ATOM 1230 CB ALA A 78 1.318 -10.734 3.850 1.00 0.00 C ATOM 0 H ALA A 78 0.472 -10.382 1.549 1.00 0.00 H new ATOM 0 HA ALA A 78 1.518 -12.686 2.986 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.455 -11.089 4.871 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.273 -10.387 3.455 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.603 -9.911 3.845 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.321 -13.028 2.634 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.665 -13.488 2.935 1.00 0.00 C ATOM 1238 C VAL A 79 -2.647 -14.767 3.765 1.00 0.00 C ATOM 1239 O VAL A 79 -1.616 -15.437 3.860 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.426 -13.704 1.625 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -4.901 -14.020 1.775 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.289 -12.503 0.686 1.00 0.00 C ATOM 0 H VAL A 79 -1.046 -13.189 1.665 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.170 -12.727 3.530 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.949 -14.589 1.204 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.346 -14.155 0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.020 -14.935 2.355 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.399 -13.198 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.843 -12.695 -0.233 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.689 -11.613 1.172 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.237 -12.345 0.449 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.791 -15.103 4.363 1.00 0.00 N ATOM 1253 CA LEU A 80 -3.933 -16.335 5.136 1.00 0.00 C ATOM 1254 C LEU A 80 -5.367 -16.865 5.169 1.00 0.00 C ATOM 1255 O LEU A 80 -5.632 -17.843 5.867 1.00 0.00 O ATOM 1256 CB LEU A 80 -3.381 -16.142 6.559 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.360 -15.499 7.554 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -3.651 -15.324 8.893 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -4.843 -14.137 7.074 1.00 0.00 C ATOM 0 H LEU A 80 -4.637 -14.534 4.325 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.343 -17.096 4.625 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.076 -17.113 6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.484 -15.524 6.504 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.228 -16.152 7.648 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.334 -14.868 9.610 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.331 -16.297 9.265 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.780 -14.681 8.762 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.533 -13.717 7.806 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.990 -13.470 6.955 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.353 -14.248 6.117 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.287 -16.238 4.433 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.692 -16.635 4.441 1.00 0.00 C ATOM 1273 C ASP A 81 -8.319 -16.557 3.049 1.00 0.00 C ATOM 1274 O ASP A 81 -9.514 -16.801 2.886 1.00 0.00 O ATOM 1275 CB ASP A 81 -8.447 -15.761 5.443 1.00 0.00 C ATOM 1276 CG ASP A 81 -9.871 -16.259 5.691 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -10.009 -17.437 6.087 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -10.807 -15.455 5.484 1.00 0.00 O ATOM 0 H ASP A 81 -6.080 -15.449 3.821 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.760 -17.679 4.745 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.902 -15.741 6.387 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.482 -14.736 5.073 1.00 0.00 H new ATOM 1283 N GLY A 82 -7.522 -16.219 2.034 1.00 0.00 N ATOM 1284 CA GLY A 82 -7.980 -16.128 0.651 1.00 0.00 C ATOM 1285 C GLY A 82 -7.881 -14.710 0.091 1.00 0.00 C ATOM 1286 O GLY A 82 -8.018 -14.515 -1.118 1.00 0.00 O ATOM 0 H GLY A 82 -6.533 -15.999 2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.388 -16.801 0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.014 -16.467 0.592 1.00 0.00 H new ATOM 1290 N ARG A 83 -7.649 -13.720 0.961 1.00 0.00 N ATOM 1291 CA ARG A 83 -7.553 -12.317 0.597 1.00 0.00 C ATOM 1292 C ARG A 83 -7.099 -11.520 1.811 1.00 0.00 C ATOM 1293 O ARG A 83 -7.831 -11.458 2.793 1.00 0.00 O ATOM 1294 CB ARG A 83 -8.942 -11.831 0.181 1.00 0.00 C ATOM 1295 CG ARG A 83 -8.973 -10.326 -0.093 1.00 0.00 C ATOM 1296 CD ARG A 83 -10.251 -9.741 0.491 1.00 0.00 C ATOM 1297 NE ARG A 83 -11.440 -10.311 -0.163 1.00 0.00 N ATOM 1298 CZ ARG A 83 -12.633 -9.710 -0.246 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -12.836 -8.495 0.259 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -13.643 -10.336 -0.840 1.00 0.00 N ATOM 0 H ARG A 83 -7.521 -13.885 1.959 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.842 -12.186 -0.219 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.259 -12.367 -0.713 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.658 -12.070 0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -8.102 -9.845 0.351 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.929 -10.138 -1.166 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.290 -9.940 1.562 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -10.248 -8.658 0.368 1.00 0.00 H new ATOM 0 HE ARG A 83 -11.348 -11.235 -0.585 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.073 -8.001 0.722 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -13.755 -8.058 0.183 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.507 -11.269 -1.229 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -14.555 -9.884 -0.907 1.00 0.00 H new ATOM 1314 N GLU A 84 -5.911 -10.916 1.749 1.00 0.00 N ATOM 1315 CA GLU A 84 -5.499 -9.992 2.797 1.00 0.00 C ATOM 1316 C GLU A 84 -4.984 -8.694 2.180 1.00 0.00 C ATOM 1317 O GLU A 84 -5.419 -7.616 2.581 1.00 0.00 O ATOM 1318 CB GLU A 84 -4.436 -10.557 3.739 1.00 0.00 C ATOM 1319 CG GLU A 84 -4.909 -11.724 4.612 1.00 0.00 C ATOM 1320 CD GLU A 84 -6.119 -11.364 5.477 1.00 0.00 C ATOM 1321 OE1 GLU A 84 -6.120 -10.245 6.041 1.00 0.00 O ATOM 1322 OE2 GLU A 84 -7.031 -12.211 5.569 1.00 0.00 O ATOM 0 H GLU A 84 -5.232 -11.048 0.999 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.389 -9.810 3.399 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.583 -10.887 3.146 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.082 -9.756 4.388 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.163 -12.570 3.973 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.090 -12.045 5.256 1.00 0.00 H new ATOM 1329 N LEU A 85 -4.060 -8.782 1.209 1.00 0.00 N ATOM 1330 CA LEU A 85 -3.502 -7.607 0.550 1.00 0.00 C ATOM 1331 C LEU A 85 -3.309 -7.820 -0.944 1.00 0.00 C ATOM 1332 O LEU A 85 -3.127 -8.942 -1.409 1.00 0.00 O ATOM 1333 CB LEU A 85 -2.087 -7.290 1.065 1.00 0.00 C ATOM 1334 CG LEU A 85 -1.925 -6.713 2.468 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -2.869 -5.535 2.692 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -2.100 -7.790 3.530 1.00 0.00 C ATOM 0 H LEU A 85 -3.686 -9.667 0.866 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.216 -6.811 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.505 -8.211 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.631 -6.589 0.366 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.907 -6.333 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.731 -5.145 3.700 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.651 -4.751 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.900 -5.867 2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.979 -7.349 4.519 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.096 -8.225 3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.351 -8.568 3.386 1.00 0.00 H new ATOM 1348 N ARG A 86 -3.347 -6.697 -1.663 1.00 0.00 N ATOM 1349 CA ARG A 86 -2.936 -6.566 -3.054 1.00 0.00 C ATOM 1350 C ARG A 86 -2.477 -5.127 -3.240 1.00 0.00 C ATOM 1351 O ARG A 86 -3.281 -4.201 -3.146 1.00 0.00 O ATOM 1352 CB ARG A 86 -4.088 -6.891 -4.013 1.00 0.00 C ATOM 1353 CG ARG A 86 -4.298 -8.396 -4.193 1.00 0.00 C ATOM 1354 CD ARG A 86 -3.000 -9.088 -4.613 1.00 0.00 C ATOM 1355 NE ARG A 86 -3.208 -10.516 -4.875 1.00 0.00 N ATOM 1356 CZ ARG A 86 -2.248 -11.435 -4.764 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -1.015 -11.092 -4.391 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -2.515 -12.713 -5.026 1.00 0.00 N ATOM 0 H ARG A 86 -3.681 -5.817 -1.270 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.136 -7.270 -3.281 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.007 -6.442 -3.636 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.887 -6.437 -4.984 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.659 -8.830 -3.261 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.067 -8.571 -4.945 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.604 -8.608 -5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.253 -8.967 -3.829 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.139 -10.823 -5.158 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.797 -10.117 -4.187 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.290 -11.805 -4.310 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.454 -12.990 -5.312 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.780 -13.415 -4.941 1.00 0.00 H new ATOM 1372 N VAL A 87 -1.183 -4.933 -3.506 1.00 0.00 N ATOM 1373 CA VAL A 87 -0.628 -3.599 -3.698 1.00 0.00 C ATOM 1374 C VAL A 87 0.375 -3.600 -4.844 1.00 0.00 C ATOM 1375 O VAL A 87 1.211 -4.495 -4.959 1.00 0.00 O ATOM 1376 CB VAL A 87 -0.039 -3.059 -2.381 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.769 -4.088 -1.611 1.00 0.00 C ATOM 1378 CG2 VAL A 87 0.863 -1.852 -2.626 1.00 0.00 C ATOM 0 H VAL A 87 -0.502 -5.687 -3.593 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.427 -2.914 -3.982 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.908 -2.780 -1.785 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.153 -3.638 -0.695 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.132 -4.936 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.603 -4.429 -2.225 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.261 -1.497 -1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.686 -2.140 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.286 -1.056 -3.098 1.00 0.00 H new ATOM 1388 N GLN A 88 0.259 -2.568 -5.687 1.00 0.00 N ATOM 1389 CA GLN A 88 1.050 -2.370 -6.890 1.00 0.00 C ATOM 1390 C GLN A 88 0.845 -0.938 -7.366 1.00 0.00 C ATOM 1391 O GLN A 88 0.019 -0.206 -6.830 1.00 0.00 O ATOM 1392 CB GLN A 88 0.575 -3.360 -7.963 1.00 0.00 C ATOM 1393 CG GLN A 88 1.712 -4.271 -8.438 1.00 0.00 C ATOM 1394 CD GLN A 88 2.758 -3.522 -9.258 1.00 0.00 C ATOM 1395 OE1 GLN A 88 2.427 -2.677 -10.087 1.00 0.00 O ATOM 1396 NE2 GLN A 88 4.035 -3.824 -9.038 1.00 0.00 N ATOM 0 H GLN A 88 -0.419 -1.821 -5.536 1.00 0.00 H new ATOM 0 HA GLN A 88 2.108 -2.541 -6.693 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.236 -3.969 -7.563 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.171 -2.809 -8.813 1.00 0.00 H new ATOM 0 HG2 GLN A 88 2.192 -4.728 -7.573 1.00 0.00 H new ATOM 0 HG3 GLN A 88 1.297 -5.081 -9.037 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.280 -4.530 -8.343 1.00 0.00 H new ATOM 0 HE22 GLN A 88 4.769 -3.350 -9.564 1.00 0.00 H new ATOM 1405 N MET A 89 1.607 -0.534 -8.380 1.00 0.00 N ATOM 1406 CA MET A 89 1.591 0.818 -8.905 1.00 0.00 C ATOM 1407 C MET A 89 0.277 1.112 -9.628 1.00 0.00 C ATOM 1408 O MET A 89 -0.324 0.222 -10.228 1.00 0.00 O ATOM 1409 CB MET A 89 2.785 0.936 -9.849 1.00 0.00 C ATOM 1410 CG MET A 89 4.050 0.670 -9.026 1.00 0.00 C ATOM 1411 SD MET A 89 4.536 2.072 -7.989 1.00 0.00 S ATOM 1412 CE MET A 89 5.824 1.273 -7.009 1.00 0.00 C ATOM 0 H MET A 89 2.261 -1.150 -8.863 1.00 0.00 H new ATOM 0 HA MET A 89 1.665 1.549 -8.100 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.701 0.219 -10.665 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.822 1.928 -10.299 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.887 -0.202 -8.393 1.00 0.00 H new ATOM 0 HG3 MET A 89 4.870 0.425 -9.701 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.387 2.029 -6.462 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.367 0.580 -6.303 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.497 0.727 -7.669 1.00 0.00 H new ATOM 1422 N ALA A 90 -0.167 2.369 -9.569 1.00 0.00 N ATOM 1423 CA ALA A 90 -1.345 2.810 -10.299 1.00 0.00 C ATOM 1424 C ALA A 90 -0.957 3.089 -11.753 1.00 0.00 C ATOM 1425 O ALA A 90 0.176 3.472 -12.037 1.00 0.00 O ATOM 1426 CB ALA A 90 -1.905 4.073 -9.641 1.00 0.00 C ATOM 0 H ALA A 90 0.280 3.101 -9.017 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.112 2.036 -10.279 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.788 4.406 -10.186 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.177 3.855 -8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.150 4.858 -9.660 1.00 0.00 H new ATOM 1432 N ARG A 91 -1.907 2.902 -12.674 1.00 0.00 N ATOM 1433 CA ARG A 91 -1.722 3.181 -14.098 1.00 0.00 C ATOM 1434 C ARG A 91 -3.012 3.770 -14.651 1.00 0.00 C ATOM 1435 O ARG A 91 -3.272 3.737 -15.852 1.00 0.00 O ATOM 1436 CB ARG A 91 -1.348 1.902 -14.857 1.00 0.00 C ATOM 1437 CG ARG A 91 -0.079 1.262 -14.293 1.00 0.00 C ATOM 1438 CD ARG A 91 0.211 -0.045 -15.030 1.00 0.00 C ATOM 1439 NE ARG A 91 1.388 -0.716 -14.467 1.00 0.00 N ATOM 1440 CZ ARG A 91 1.398 -1.347 -13.287 1.00 0.00 C ATOM 1441 NH1 ARG A 91 0.298 -1.431 -12.544 1.00 0.00 N ATOM 1442 NH2 ARG A 91 2.522 -1.904 -12.842 1.00 0.00 N ATOM 0 H ARG A 91 -2.836 2.548 -12.447 1.00 0.00 H new ATOM 0 HA ARG A 91 -0.907 3.893 -14.227 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.171 1.190 -14.799 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.201 2.134 -15.912 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.763 1.946 -14.400 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.200 1.070 -13.227 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -0.655 -0.704 -14.963 1.00 0.00 H new ATOM 0 HD3 ARG A 91 0.375 0.159 -16.088 1.00 0.00 H new ATOM 0 HE ARG A 91 2.252 -0.701 -15.009 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.572 -1.011 -12.871 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.324 -1.916 -11.647 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.374 -1.849 -13.400 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.531 -2.385 -11.943 1.00 0.00 H new ATOM 1456 N TYR A 92 -3.825 4.311 -13.744 1.00 0.00 N ATOM 1457 CA TYR A 92 -5.154 4.826 -14.017 1.00 0.00 C ATOM 1458 C TYR A 92 -5.371 6.028 -13.099 1.00 0.00 C ATOM 1459 O TYR A 92 -4.905 6.015 -11.960 1.00 0.00 O ATOM 1460 CB TYR A 92 -6.118 3.668 -13.758 1.00 0.00 C ATOM 1461 CG TYR A 92 -7.600 3.926 -13.926 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -8.094 4.946 -14.756 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -8.487 3.097 -13.232 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -9.479 5.154 -14.859 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -9.870 3.302 -13.321 1.00 0.00 C ATOM 1466 CZ TYR A 92 -10.374 4.336 -14.138 1.00 0.00 C ATOM 1467 OH TYR A 92 -11.718 4.538 -14.228 1.00 0.00 O ATOM 0 H TYR A 92 -3.560 4.403 -12.763 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.307 5.173 -15.039 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -5.844 2.850 -14.424 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.953 3.318 -12.739 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -7.410 5.569 -15.314 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -8.103 2.292 -12.623 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.860 5.942 -15.492 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -10.548 2.671 -12.766 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.185 3.884 -13.667 1.00 0.00 H new ATOM 1477 N GLY A 93 -6.064 7.065 -13.580 1.00 0.00 N ATOM 1478 CA GLY A 93 -6.152 8.342 -12.881 1.00 0.00 C ATOM 1479 C GLY A 93 -7.534 8.602 -12.294 1.00 0.00 C ATOM 1480 O GLY A 93 -8.445 7.788 -12.437 1.00 0.00 O ATOM 0 H GLY A 93 -6.576 7.039 -14.462 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.413 8.364 -12.080 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.899 9.147 -13.571 1.00 0.00 H new ATOM 1484 N ARG A 94 -7.685 9.751 -11.626 1.00 0.00 N ATOM 1485 CA ARG A 94 -8.936 10.143 -10.996 1.00 0.00 C ATOM 1486 C ARG A 94 -10.073 10.189 -12.018 1.00 0.00 C ATOM 1487 O ARG A 94 -9.842 10.486 -13.190 1.00 0.00 O ATOM 1488 CB ARG A 94 -8.791 11.513 -10.326 1.00 0.00 C ATOM 1489 CG ARG A 94 -8.144 11.390 -8.947 1.00 0.00 C ATOM 1490 CD ARG A 94 -8.097 12.757 -8.268 1.00 0.00 C ATOM 1491 NE ARG A 94 -7.711 12.635 -6.860 1.00 0.00 N ATOM 1492 CZ ARG A 94 -7.518 13.667 -6.034 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -7.665 14.921 -6.464 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -7.175 13.452 -4.765 1.00 0.00 N ATOM 0 H ARG A 94 -6.936 10.433 -11.511 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.177 9.397 -10.239 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.188 12.167 -10.956 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -9.772 11.979 -10.230 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -8.709 10.689 -8.333 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -7.135 10.988 -9.044 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.387 13.400 -8.788 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.074 13.236 -8.340 1.00 0.00 H new ATOM 0 HE ARG A 94 -7.580 11.696 -6.484 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -7.928 15.100 -7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -7.515 15.701 -5.824 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -7.059 12.498 -4.423 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.028 14.241 -4.136 1.00 0.00 H new ATOM 1508 N PRO A 95 -11.303 9.897 -11.576 1.00 0.00 N ATOM 1509 CA PRO A 95 -12.483 9.903 -12.420 1.00 0.00 C ATOM 1510 C PRO A 95 -12.916 11.330 -12.749 1.00 0.00 C ATOM 1511 O PRO A 95 -12.946 12.184 -11.862 1.00 0.00 O ATOM 1512 CB PRO A 95 -13.556 9.212 -11.578 1.00 0.00 C ATOM 1513 CG PRO A 95 -13.146 9.516 -10.134 1.00 0.00 C ATOM 1514 CD PRO A 95 -11.625 9.525 -10.206 1.00 0.00 C ATOM 0 HA PRO A 95 -12.304 9.406 -13.373 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.550 9.600 -11.801 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.583 8.139 -11.768 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.540 10.474 -9.796 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.513 8.758 -9.442 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -11.203 10.237 -9.496 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -11.215 8.546 -9.958 1.00 0.00 H new ATOM 1522 N PRO A 96 -13.259 11.612 -14.014 1.00 0.00 N ATOM 1523 CA PRO A 96 -13.851 12.882 -14.400 1.00 0.00 C ATOM 1524 C PRO A 96 -15.319 12.904 -13.983 1.00 0.00 C ATOM 1525 O PRO A 96 -15.823 13.925 -13.518 1.00 0.00 O ATOM 1526 CB PRO A 96 -13.726 12.929 -15.920 1.00 0.00 C ATOM 1527 CG PRO A 96 -13.767 11.456 -16.332 1.00 0.00 C ATOM 1528 CD PRO A 96 -13.100 10.733 -15.158 1.00 0.00 C ATOM 0 HA PRO A 96 -13.364 13.736 -13.929 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -14.541 13.494 -16.372 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -12.797 13.406 -16.231 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -14.790 11.111 -16.486 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -13.229 11.286 -17.265 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -13.569 9.766 -14.977 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -12.046 10.543 -15.363 1.00 0.00 H new ATOM 1536 N ASP A 97 -16.000 11.764 -14.155 1.00 0.00 N ATOM 1537 CA ASP A 97 -17.379 11.561 -13.749 1.00 0.00 C ATOM 1538 C ASP A 97 -17.736 10.080 -13.877 1.00 0.00 C ATOM 1539 O ASP A 97 -17.395 9.435 -14.869 1.00 0.00 O ATOM 1540 CB ASP A 97 -18.306 12.387 -14.640 1.00 0.00 C ATOM 1541 CG ASP A 97 -19.780 12.179 -14.291 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -20.071 11.881 -13.112 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -20.609 12.324 -15.220 1.00 0.00 O ATOM 0 H ASP A 97 -15.587 10.941 -14.593 1.00 0.00 H new ATOM 0 HA ASP A 97 -17.499 11.877 -12.713 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -18.056 13.443 -14.540 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -18.140 12.117 -15.683 1.00 0.00 H new ATOM 1548 N SER A 98 -18.426 9.554 -12.865 1.00 0.00 N ATOM 1549 CA SER A 98 -18.887 8.170 -12.822 1.00 0.00 C ATOM 1550 C SER A 98 -20.110 8.048 -11.920 1.00 0.00 C ATOM 1551 O SER A 98 -20.517 6.939 -11.583 1.00 0.00 O ATOM 1552 CB SER A 98 -17.798 7.266 -12.248 1.00 0.00 C ATOM 1553 OG SER A 98 -16.625 7.311 -13.038 1.00 0.00 O ATOM 0 H SER A 98 -18.684 10.090 -12.037 1.00 0.00 H new ATOM 0 HA SER A 98 -19.133 7.870 -13.841 1.00 0.00 H new ATOM 0 HB2 SER A 98 -17.565 7.575 -11.229 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.164 6.241 -12.194 1.00 0.00 H new ATOM 0 HG SER A 98 -15.944 6.725 -12.647 1.00 0.00 H new ATOM 1559 N HIS A 99 -20.697 9.180 -11.521 1.00 0.00 N ATOM 1560 CA HIS A 99 -21.715 9.196 -10.483 1.00 0.00 C ATOM 1561 C HIS A 99 -22.890 10.110 -10.835 1.00 0.00 C ATOM 1562 O HIS A 99 -23.770 10.330 -10.002 1.00 0.00 O ATOM 1563 CB HIS A 99 -21.047 9.617 -9.172 1.00 0.00 C ATOM 1564 CG HIS A 99 -20.589 11.050 -9.180 1.00 0.00 C ATOM 1565 ND1 HIS A 99 -21.382 12.157 -8.859 1.00 0.00 N ATOM 1566 CD2 HIS A 99 -19.332 11.475 -9.503 1.00 0.00 C ATOM 1567 CE1 HIS A 99 -20.582 13.223 -9.004 1.00 0.00 C ATOM 1568 NE2 HIS A 99 -19.347 12.843 -9.385 1.00 0.00 N ATOM 0 H HIS A 99 -20.479 10.098 -11.907 1.00 0.00 H new ATOM 0 HA HIS A 99 -22.142 8.198 -10.382 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -21.747 9.470 -8.350 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -20.192 8.969 -8.982 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -18.494 10.859 -9.793 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -20.886 14.246 -8.838 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -18.557 13.466 -9.557 1.00 0.00 H new ATOM 1576 N HIS A 100 -22.913 10.645 -12.062 1.00 0.00 N ATOM 1577 CA HIS A 100 -23.968 11.540 -12.525 1.00 0.00 C ATOM 1578 C HIS A 100 -24.209 11.330 -14.021 1.00 0.00 C ATOM 1579 O HIS A 100 -23.456 10.611 -14.678 1.00 0.00 O ATOM 1580 CB HIS A 100 -23.562 12.983 -12.220 1.00 0.00 C ATOM 1581 CG HIS A 100 -24.659 13.976 -12.491 1.00 0.00 C ATOM 1582 ND1 HIS A 100 -24.605 14.997 -13.443 1.00 0.00 N ATOM 1583 CD2 HIS A 100 -25.863 14.025 -11.848 1.00 0.00 C ATOM 1584 CE1 HIS A 100 -25.787 15.633 -13.351 1.00 0.00 C ATOM 1585 NE2 HIS A 100 -26.559 15.075 -12.403 1.00 0.00 N ATOM 0 H HIS A 100 -22.193 10.465 -12.762 1.00 0.00 H new ATOM 0 HA HIS A 100 -24.902 11.324 -12.007 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -23.264 13.057 -11.174 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -22.689 13.243 -12.819 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -26.202 13.369 -11.060 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -26.077 16.478 -13.958 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -27.497 15.377 -12.140 1.00 0.00 H new ATOM 1593 N SER A 101 -25.260 11.959 -14.554 1.00 0.00 N ATOM 1594 CA SER A 101 -25.627 11.852 -15.958 1.00 0.00 C ATOM 1595 C SER A 101 -26.416 13.090 -16.382 1.00 0.00 C ATOM 1596 O SER A 101 -25.945 13.778 -17.317 1.00 0.00 O ATOM 1597 CB SER A 101 -26.459 10.590 -16.169 1.00 0.00 C ATOM 1598 OG SER A 101 -26.745 10.437 -17.541 1.00 0.00 O ATOM 1599 OXT SER A 101 -27.482 13.336 -15.773 1.00 0.00 O ATOM 0 H SER A 101 -25.882 12.561 -14.014 1.00 0.00 H new ATOM 0 HA SER A 101 -24.727 11.789 -16.569 1.00 0.00 H new ATOM 0 HB2 SER A 101 -25.917 9.719 -15.801 1.00 0.00 H new ATOM 0 HB3 SER A 101 -27.386 10.653 -15.599 1.00 0.00 H new ATOM 0 HG SER A 101 -27.278 9.626 -17.676 1.00 0.00 H new TER 1605 SER A 101 ATOM 1606 O5' U B 102 -12.037 -5.269 -12.792 1.00 0.00 O ATOM 1607 C5' U B 102 -12.401 -5.745 -11.515 1.00 0.00 C ATOM 1608 C4' U B 102 -11.752 -4.870 -10.437 1.00 0.00 C ATOM 1609 O4' U B 102 -12.361 -3.591 -10.451 1.00 0.00 O ATOM 1610 C3' U B 102 -11.995 -5.476 -9.056 1.00 0.00 C ATOM 1611 O3' U B 102 -11.064 -5.041 -8.077 1.00 0.00 O ATOM 1612 C2' U B 102 -13.364 -4.894 -8.749 1.00 0.00 C ATOM 1613 O2' U B 102 -13.622 -4.892 -7.359 1.00 0.00 O ATOM 1614 C1' U B 102 -13.239 -3.490 -9.343 1.00 0.00 C ATOM 1615 N1 U B 102 -14.587 -2.946 -9.637 1.00 0.00 N ATOM 1616 C2 U B 102 -15.026 -2.766 -10.948 1.00 0.00 C ATOM 1617 O2 U B 102 -14.362 -3.062 -11.941 1.00 0.00 O ATOM 1618 N3 U B 102 -16.294 -2.224 -11.094 1.00 0.00 N ATOM 1619 C4 U B 102 -17.153 -1.865 -10.070 1.00 0.00 C ATOM 1620 O4 U B 102 -18.259 -1.386 -10.319 1.00 0.00 O ATOM 1621 C5 U B 102 -16.626 -2.104 -8.746 1.00 0.00 C ATOM 1622 C6 U B 102 -15.390 -2.625 -8.579 1.00 0.00 C ATOM 0 H5' U B 102 -12.083 -6.781 -11.397 1.00 0.00 H new ATOM 0 H5'' U B 102 -13.485 -5.730 -11.406 1.00 0.00 H new ATOM 0 H4' U B 102 -10.683 -4.802 -10.638 1.00 0.00 H new ATOM 0 H3' U B 102 -11.909 -6.563 -9.044 1.00 0.00 H new ATOM 0 H2' U B 102 -14.203 -5.456 -9.160 1.00 0.00 H new ATOM 0 HO2' U B 102 -12.775 -4.950 -6.869 1.00 0.00 H new ATOM 0 HO5' U B 102 -12.451 -5.830 -13.481 1.00 0.00 H new ATOM 0 H1' U B 102 -12.807 -2.765 -8.654 1.00 0.00 H new ATOM 0 H3 U B 102 -16.625 -2.076 -12.047 1.00 0.00 H new ATOM 0 H5 U B 102 -17.226 -1.864 -7.881 1.00 0.00 H new ATOM 0 H6 U B 102 -15.025 -2.793 -7.576 1.00 0.00 H new ATOM 1634 P G B 103 -9.496 -5.414 -8.147 1.00 0.00 P ATOM 1635 OP1 G B 103 -9.218 -6.109 -9.424 1.00 0.00 O ATOM 1636 OP2 G B 103 -9.113 -6.047 -6.866 1.00 0.00 O ATOM 1637 O5' G B 103 -8.835 -3.949 -8.204 1.00 0.00 O ATOM 1638 C5' G B 103 -9.160 -3.075 -9.260 1.00 0.00 C ATOM 1639 C4' G B 103 -8.927 -1.627 -8.850 1.00 0.00 C ATOM 1640 O4' G B 103 -7.591 -1.232 -9.098 1.00 0.00 O ATOM 1641 C3' G B 103 -9.847 -0.721 -9.666 1.00 0.00 C ATOM 1642 O3' G B 103 -10.610 0.049 -8.764 1.00 0.00 O ATOM 1643 C2' G B 103 -8.884 0.112 -10.505 1.00 0.00 C ATOM 1644 O2' G B 103 -9.302 1.452 -10.654 1.00 0.00 O ATOM 1645 C1' G B 103 -7.626 0.057 -9.670 1.00 0.00 C ATOM 1646 N9 G B 103 -6.422 0.313 -10.480 1.00 0.00 N ATOM 1647 C8 G B 103 -5.759 1.496 -10.632 1.00 0.00 C ATOM 1648 N7 G B 103 -4.670 1.409 -11.353 1.00 0.00 N ATOM 1649 C5 G B 103 -4.624 0.064 -11.724 1.00 0.00 C ATOM 1650 C6 G B 103 -3.654 -0.661 -12.477 1.00 0.00 C ATOM 1651 O6 G B 103 -2.601 -0.255 -12.965 1.00 0.00 O ATOM 1652 N1 G B 103 -4.004 -1.991 -12.642 1.00 0.00 N ATOM 1653 C2 G B 103 -5.132 -2.574 -12.121 1.00 0.00 C ATOM 1654 N2 G B 103 -5.312 -3.869 -12.372 1.00 0.00 N ATOM 1655 N3 G B 103 -6.035 -1.916 -11.388 1.00 0.00 N ATOM 1656 C4 G B 103 -5.721 -0.605 -11.231 1.00 0.00 C ATOM 0 H5' G B 103 -10.203 -3.214 -9.546 1.00 0.00 H new ATOM 0 H5'' G B 103 -8.555 -3.313 -10.135 1.00 0.00 H new ATOM 0 H4' G B 103 -9.133 -1.541 -7.783 1.00 0.00 H new ATOM 0 H3' G B 103 -10.561 -1.236 -10.309 1.00 0.00 H new ATOM 0 H2' G B 103 -8.787 -0.263 -11.524 1.00 0.00 H new ATOM 0 HO2' G B 103 -10.222 1.472 -10.991 1.00 0.00 H new ATOM 0 H1' G B 103 -7.636 0.831 -8.903 1.00 0.00 H new ATOM 0 H8 G B 103 -6.103 2.422 -10.196 1.00 0.00 H new ATOM 0 H1 G B 103 -3.378 -2.580 -13.191 1.00 0.00 H new ATOM 0 H21 G B 103 -6.135 -4.350 -12.007 1.00 0.00 H new ATOM 0 H22 G B 103 -4.627 -4.380 -12.929 1.00 0.00 H new ATOM 1668 P G B 104 -12.003 0.718 -9.209 1.00 0.00 P ATOM 1669 OP1 G B 104 -13.087 -0.259 -8.964 1.00 0.00 O ATOM 1670 OP2 G B 104 -11.843 1.313 -10.556 1.00 0.00 O ATOM 1671 O5' G B 104 -12.133 1.911 -8.140 1.00 0.00 O ATOM 1672 C5' G B 104 -11.036 2.765 -7.902 1.00 0.00 C ATOM 1673 C4' G B 104 -11.499 4.017 -7.163 1.00 0.00 C ATOM 1674 O4' G B 104 -10.440 4.653 -6.476 1.00 0.00 O ATOM 1675 C3' G B 104 -12.050 5.025 -8.156 1.00 0.00 C ATOM 1676 O3' G B 104 -13.406 4.755 -8.460 1.00 0.00 O ATOM 1677 C2' G B 104 -11.850 6.337 -7.415 1.00 0.00 C ATOM 1678 O2' G B 104 -12.995 6.623 -6.645 1.00 0.00 O ATOM 1679 C1' G B 104 -10.649 6.058 -6.509 1.00 0.00 C ATOM 1680 N9 G B 104 -9.474 6.755 -7.061 1.00 0.00 N ATOM 1681 C8 G B 104 -8.937 7.943 -6.639 1.00 0.00 C ATOM 1682 N7 G B 104 -7.948 8.369 -7.375 1.00 0.00 N ATOM 1683 C5 G B 104 -7.781 7.360 -8.323 1.00 0.00 C ATOM 1684 C6 G B 104 -6.829 7.238 -9.376 1.00 0.00 C ATOM 1685 O6 G B 104 -5.979 8.051 -9.733 1.00 0.00 O ATOM 1686 N1 G B 104 -6.936 6.027 -10.037 1.00 0.00 N ATOM 1687 C2 G B 104 -7.909 5.087 -9.789 1.00 0.00 C ATOM 1688 N2 G B 104 -7.909 4.005 -10.559 1.00 0.00 N ATOM 1689 N3 G B 104 -8.829 5.202 -8.828 1.00 0.00 N ATOM 1690 C4 G B 104 -8.696 6.354 -8.121 1.00 0.00 C ATOM 0 H5' G B 104 -10.569 3.042 -8.847 1.00 0.00 H new ATOM 0 H5'' G B 104 -10.280 2.244 -7.314 1.00 0.00 H new ATOM 0 H4' G B 104 -12.256 3.695 -6.447 1.00 0.00 H new ATOM 0 H3' G B 104 -11.562 5.016 -9.131 1.00 0.00 H new ATOM 0 H2' G B 104 -11.689 7.190 -8.074 1.00 0.00 H new ATOM 0 HO2' G B 104 -13.790 6.589 -7.217 1.00 0.00 H new ATOM 0 H1' G B 104 -10.821 6.417 -5.494 1.00 0.00 H new ATOM 0 H8 G B 104 -9.300 8.479 -5.774 1.00 0.00 H new ATOM 0 H1 G B 104 -6.246 5.817 -10.758 1.00 0.00 H new ATOM 0 H21 G B 104 -8.610 3.278 -10.416 1.00 0.00 H new ATOM 0 H22 G B 104 -7.208 3.901 -11.293 1.00 0.00 H new ATOM 1702 P A B 105 -14.196 5.603 -9.568 1.00 0.00 P ATOM 1703 OP1 A B 105 -15.338 4.790 -10.041 1.00 0.00 O ATOM 1704 OP2 A B 105 -13.207 6.104 -10.549 1.00 0.00 O ATOM 1705 O5' A B 105 -14.788 6.864 -8.747 1.00 0.00 O ATOM 1706 C5' A B 105 -15.794 7.668 -9.328 1.00 0.00 C ATOM 1707 C4' A B 105 -16.206 8.893 -8.491 1.00 0.00 C ATOM 1708 O4' A B 105 -17.619 8.887 -8.387 1.00 0.00 O ATOM 1709 C3' A B 105 -15.685 8.917 -7.046 1.00 0.00 C ATOM 1710 O3' A B 105 -15.224 10.211 -6.661 1.00 0.00 O ATOM 1711 C2' A B 105 -16.865 8.408 -6.206 1.00 0.00 C ATOM 1712 O2' A B 105 -17.317 9.357 -5.267 1.00 0.00 O ATOM 1713 C1' A B 105 -17.976 8.159 -7.230 1.00 0.00 C ATOM 1714 N9 A B 105 -18.113 6.714 -7.502 1.00 0.00 N ATOM 1715 C8 A B 105 -17.195 5.735 -7.273 1.00 0.00 C ATOM 1716 N7 A B 105 -17.569 4.533 -7.612 1.00 0.00 N ATOM 1717 C5 A B 105 -18.859 4.733 -8.099 1.00 0.00 C ATOM 1718 C6 A B 105 -19.830 3.863 -8.627 1.00 0.00 C ATOM 1719 N6 A B 105 -19.649 2.549 -8.775 1.00 0.00 N ATOM 1720 N1 A B 105 -21.008 4.380 -8.995 1.00 0.00 N ATOM 1721 C2 A B 105 -21.203 5.685 -8.848 1.00 0.00 C ATOM 1722 N3 A B 105 -20.382 6.609 -8.381 1.00 0.00 N ATOM 1723 C4 A B 105 -19.199 6.061 -8.026 1.00 0.00 C ATOM 0 H5' A B 105 -16.676 7.052 -9.503 1.00 0.00 H new ATOM 0 H5'' A B 105 -15.447 8.012 -10.303 1.00 0.00 H new ATOM 0 H4' A B 105 -15.778 9.753 -9.007 1.00 0.00 H new ATOM 0 H3' A B 105 -14.805 8.289 -6.907 1.00 0.00 H new ATOM 0 H2' A B 105 -16.575 7.528 -5.632 1.00 0.00 H new ATOM 0 HO2' A B 105 -17.626 10.160 -5.736 1.00 0.00 H new ATOM 0 H1' A B 105 -18.948 8.489 -6.863 1.00 0.00 H new ATOM 0 H8 A B 105 -16.226 5.940 -6.841 1.00 0.00 H new ATOM 0 H61 A B 105 -20.394 1.972 -9.165 1.00 0.00 H new ATOM 0 H62 A B 105 -18.765 2.122 -8.498 1.00 0.00 H new ATOM 0 H2 A B 105 -22.174 6.044 -9.155 1.00 0.00 H new ATOM 1735 P G B 106 -16.060 11.578 -6.866 1.00 0.00 P ATOM 1736 OP1 G B 106 -17.513 11.289 -6.893 1.00 0.00 O ATOM 1737 OP2 G B 106 -15.442 12.330 -7.983 1.00 0.00 O ATOM 1738 O5' G B 106 -15.755 12.374 -5.496 1.00 0.00 O ATOM 1739 C5' G B 106 -16.371 11.993 -4.283 1.00 0.00 C ATOM 1740 C4' G B 106 -15.992 12.889 -3.099 1.00 0.00 C ATOM 1741 O4' G B 106 -14.680 12.617 -2.636 1.00 0.00 O ATOM 1742 C3' G B 106 -16.017 14.374 -3.463 1.00 0.00 C ATOM 1743 O3' G B 106 -16.210 15.154 -2.296 1.00 0.00 O ATOM 1744 C2' G B 106 -14.614 14.545 -4.024 1.00 0.00 C ATOM 1745 O2' G B 106 -14.174 15.877 -3.941 1.00 0.00 O ATOM 1746 C1' G B 106 -13.782 13.568 -3.182 1.00 0.00 C ATOM 1747 N9 G B 106 -12.740 12.885 -3.974 1.00 0.00 N ATOM 1748 C8 G B 106 -12.657 12.695 -5.331 1.00 0.00 C ATOM 1749 N7 G B 106 -11.576 12.068 -5.710 1.00 0.00 N ATOM 1750 C5 G B 106 -10.901 11.811 -4.519 1.00 0.00 C ATOM 1751 C6 G B 106 -9.663 11.148 -4.277 1.00 0.00 C ATOM 1752 O6 G B 106 -8.879 10.666 -5.095 1.00 0.00 O ATOM 1753 N1 G B 106 -9.364 11.069 -2.929 1.00 0.00 N ATOM 1754 C2 G B 106 -10.129 11.608 -1.926 1.00 0.00 C ATOM 1755 N2 G B 106 -9.673 11.459 -0.684 1.00 0.00 N ATOM 1756 N3 G B 106 -11.280 12.254 -2.134 1.00 0.00 N ATOM 1757 C4 G B 106 -11.612 12.305 -3.451 1.00 0.00 C ATOM 0 H5' G B 106 -16.096 10.964 -4.052 1.00 0.00 H new ATOM 0 H5'' G B 106 -17.453 12.013 -4.412 1.00 0.00 H new ATOM 0 H4' G B 106 -16.735 12.671 -2.331 1.00 0.00 H new ATOM 0 H3' G B 106 -16.809 14.678 -4.147 1.00 0.00 H new ATOM 0 H2' G B 106 -14.540 14.328 -5.090 1.00 0.00 H new ATOM 0 HO2' G B 106 -13.512 15.959 -3.223 1.00 0.00 H new ATOM 0 H1' G B 106 -13.259 14.122 -2.402 1.00 0.00 H new ATOM 0 H8 G B 106 -13.416 13.033 -6.021 1.00 0.00 H new ATOM 0 H1 G B 106 -8.513 10.574 -2.661 1.00 0.00 H new ATOM 0 H21 G B 106 -10.200 11.839 0.102 1.00 0.00 H new ATOM 0 H22 G B 106 -8.796 10.964 -0.519 1.00 0.00 H new ATOM 1769 P U B 107 -17.662 15.281 -1.596 1.00 0.00 P ATOM 1770 OP1 U B 107 -18.048 13.955 -1.057 1.00 0.00 O ATOM 1771 OP2 U B 107 -18.583 15.977 -2.526 1.00 0.00 O ATOM 1772 O5' U B 107 -17.389 16.246 -0.329 1.00 0.00 O ATOM 1773 C5' U B 107 -17.269 17.647 -0.456 1.00 0.00 C ATOM 1774 C4' U B 107 -16.062 18.029 -1.322 1.00 0.00 C ATOM 1775 O4' U B 107 -16.408 17.981 -2.700 1.00 0.00 O ATOM 1776 C3' U B 107 -15.625 19.460 -1.014 1.00 0.00 C ATOM 1777 O3' U B 107 -14.259 19.650 -1.302 1.00 0.00 O ATOM 1778 C2' U B 107 -16.514 20.225 -1.971 1.00 0.00 C ATOM 1779 O2' U B 107 -16.017 21.519 -2.264 1.00 0.00 O ATOM 1780 C1' U B 107 -16.527 19.304 -3.186 1.00 0.00 C ATOM 1781 N1 U B 107 -17.734 19.491 -4.020 1.00 0.00 N ATOM 1782 C2 U B 107 -17.565 20.016 -5.298 1.00 0.00 C ATOM 1783 O2 U B 107 -16.458 20.311 -5.751 1.00 0.00 O ATOM 1784 N3 U B 107 -18.720 20.190 -6.039 1.00 0.00 N ATOM 1785 C4 U B 107 -20.009 19.901 -5.619 1.00 0.00 C ATOM 1786 O4 U B 107 -20.965 20.112 -6.361 1.00 0.00 O ATOM 1787 C5 U B 107 -20.087 19.358 -4.283 1.00 0.00 C ATOM 1788 C6 U B 107 -18.974 19.164 -3.539 1.00 0.00 C ATOM 0 H5' U B 107 -17.167 18.096 0.532 1.00 0.00 H new ATOM 0 H5'' U B 107 -18.179 18.053 -0.898 1.00 0.00 H new ATOM 0 H4' U B 107 -15.260 17.324 -1.103 1.00 0.00 H new ATOM 0 H3' U B 107 -15.722 19.758 0.030 1.00 0.00 H new ATOM 0 H2' U B 107 -17.507 20.435 -1.574 1.00 0.00 H new ATOM 0 HO2' U B 107 -16.625 21.970 -2.886 1.00 0.00 H new ATOM 0 HO3' U B 107 -14.007 20.575 -1.097 1.00 0.00 H new ATOM 0 H1' U B 107 -15.695 19.540 -3.849 1.00 0.00 H new ATOM 0 H3 U B 107 -18.613 20.566 -6.981 1.00 0.00 H new ATOM 0 H5 U B 107 -21.052 19.102 -3.870 1.00 0.00 H new ATOM 0 H6 U B 107 -19.065 18.744 -2.548 1.00 0.00 H new TER 1800 U B 107