USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=31 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 13 MET CE :methyl -173:sc= -0.346 (180deg=-0.473) USER MOD Set 1.2: A 63 HIS : no HD1:sc= -0.487 K(o=-0.83,f=-2.3) USER MOD Set 2.1: A 44 TYR OH : rot 30:sc= 0.844 USER MOD Set 2.2: B 105 A O2' : rot -86:sc= 0.981 USER MOD Set 3.1: A 37 TYR OH : rot 180:sc= 0 USER MOD Set 3.2: A 75 MET CE :methyl 144:sc= -0.506 (180deg=-4.01!) USER MOD Set 4.1: A 22 THR OG1 : rot 180:sc= 1.04 USER MOD Set 4.2: A 25 THR OG1 : rot 72:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -34:sc= 0.304 USER MOD Single : A 3 TYR OH : rot 0:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.0993 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 175:sc= 1 (180deg=0.853) USER MOD Single : A 20 ASN : amide:sc= 1.57 K(o=1.6,f=-2.8!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.027 USER MOD Single : A 29 THR OG1 : rot 41:sc= 1.29 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0.0271 USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.0468 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 131:sc= 0.272 USER MOD Single : A 65 LYS NZ :NH3+ -160:sc= 0.647 (180deg=0.423) USER MOD Single : A 72 MET CE :methyl -140:sc= 0 (180deg=-1.27) USER MOD Single : A 88 GLN : amide:sc= 0.15 K(o=0.15,f=-3!) USER MOD Single : A 89 MET CE :methyl -115:sc=-0.00421 (180deg=-0.0753) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -170:sc= -0.201 USER MOD Single : A 99 HIS : no HD1:sc= -1.35 X(o=-1.4,f=-1.1) USER MOD Single : A 100 HIS : no HD1:sc= -0.3 X(o=-0.3,f=-0.3) USER MOD Single : A 101 SER OG : rot 180:sc= 0.126 USER MOD Single : B 102 U O2' : rot -156:sc= 2.14 USER MOD Single : B 102 U O5' : rot 180:sc= 0 USER MOD Single : B 103 C O2' : rot 16:sc= 0.159 USER MOD Single : B 104 C O2' : rot -123:sc= 1.79 USER MOD Single : B 106 G O2' : rot 4:sc= 0.0279 USER MOD Single : B 107 U O2' : rot 33:sc= 0.156 USER MOD Single : B 107 U O3' : rot -60:sc= 0.15 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.591 20.234 5.983 1.00 0.00 N ATOM 2 CA MET A 1 -1.649 18.838 6.455 1.00 0.00 C ATOM 3 C MET A 1 -2.976 18.578 7.161 1.00 0.00 C ATOM 4 O MET A 1 -3.154 18.976 8.312 1.00 0.00 O ATOM 5 CB MET A 1 -0.465 18.535 7.379 1.00 0.00 C ATOM 6 CG MET A 1 -0.463 17.064 7.801 1.00 0.00 C ATOM 7 SD MET A 1 0.868 16.638 8.955 1.00 0.00 S ATOM 8 CE MET A 1 0.525 14.870 9.159 1.00 0.00 C ATOM 0 H1 MET A 1 -0.683 20.401 5.504 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.371 20.408 5.318 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.678 20.879 6.794 1.00 0.00 H new ATOM 0 HA MET A 1 -1.582 18.171 5.595 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.469 18.772 6.870 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.516 19.171 8.263 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.422 16.826 8.262 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.374 16.440 6.912 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.253 14.435 9.844 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.478 14.738 9.564 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.594 14.372 8.192 1.00 0.00 H new ATOM 18 N SER A 2 -3.908 17.906 6.479 1.00 0.00 N ATOM 19 CA SER A 2 -5.209 17.579 7.057 1.00 0.00 C ATOM 20 C SER A 2 -5.874 16.402 6.351 1.00 0.00 C ATOM 21 O SER A 2 -6.858 15.871 6.862 1.00 0.00 O ATOM 22 CB SER A 2 -6.114 18.807 6.952 1.00 0.00 C ATOM 23 OG SER A 2 -7.304 18.599 7.684 1.00 0.00 O ATOM 0 H SER A 2 -3.782 17.578 5.522 1.00 0.00 H new ATOM 0 HA SER A 2 -5.055 17.293 8.097 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.593 19.686 7.333 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.351 19.005 5.907 1.00 0.00 H new ATOM 0 HG SER A 2 -7.554 17.652 7.640 1.00 0.00 H new ATOM 29 N TYR A 3 -5.346 15.993 5.190 1.00 0.00 N ATOM 30 CA TYR A 3 -5.873 14.892 4.398 1.00 0.00 C ATOM 31 C TYR A 3 -7.358 15.064 4.072 1.00 0.00 C ATOM 32 O TYR A 3 -7.947 16.118 4.309 1.00 0.00 O ATOM 33 CB TYR A 3 -5.549 13.566 5.094 1.00 0.00 C ATOM 34 CG TYR A 3 -4.059 13.338 5.185 1.00 0.00 C ATOM 35 CD1 TYR A 3 -3.293 14.038 6.129 1.00 0.00 C ATOM 36 CD2 TYR A 3 -3.444 12.438 4.304 1.00 0.00 C ATOM 37 CE1 TYR A 3 -1.904 13.850 6.180 1.00 0.00 C ATOM 38 CE2 TYR A 3 -2.056 12.245 4.349 1.00 0.00 C ATOM 39 CZ TYR A 3 -1.281 12.963 5.279 1.00 0.00 C ATOM 40 OH TYR A 3 0.072 12.800 5.309 1.00 0.00 O ATOM 0 H TYR A 3 -4.525 16.432 4.773 1.00 0.00 H new ATOM 0 HA TYR A 3 -5.381 14.887 3.425 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -5.980 13.565 6.095 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -6.011 12.744 4.547 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -3.772 14.721 6.815 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.041 11.892 3.589 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -1.313 14.384 6.909 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -1.583 11.548 3.673 1.00 0.00 H new ATOM 0 HH TYR A 3 0.455 13.369 6.009 1.00 0.00 H new ATOM 50 N GLY A 4 -7.971 14.012 3.526 1.00 0.00 N ATOM 51 CA GLY A 4 -9.358 14.073 3.103 1.00 0.00 C ATOM 52 C GLY A 4 -9.966 12.699 2.887 1.00 0.00 C ATOM 53 O GLY A 4 -9.269 11.685 2.876 1.00 0.00 O ATOM 0 H GLY A 4 -7.522 13.110 3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.939 14.609 3.853 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.427 14.646 2.178 1.00 0.00 H new ATOM 57 N ARG A 5 -11.289 12.688 2.710 1.00 0.00 N ATOM 58 CA ARG A 5 -12.072 11.494 2.469 1.00 0.00 C ATOM 59 C ARG A 5 -11.644 10.755 1.199 1.00 0.00 C ATOM 60 O ARG A 5 -11.015 11.331 0.313 1.00 0.00 O ATOM 61 CB ARG A 5 -13.570 11.847 2.440 1.00 0.00 C ATOM 62 CG ARG A 5 -13.925 13.244 1.919 1.00 0.00 C ATOM 63 CD ARG A 5 -13.491 13.410 0.467 1.00 0.00 C ATOM 64 NE ARG A 5 -14.203 12.476 -0.416 1.00 0.00 N ATOM 65 CZ ARG A 5 -15.388 12.710 -0.988 1.00 0.00 C ATOM 66 NH1 ARG A 5 -16.027 13.859 -0.803 1.00 0.00 N ATOM 67 NH2 ARG A 5 -15.931 11.773 -1.759 1.00 0.00 N ATOM 0 H ARG A 5 -11.852 13.538 2.733 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.888 10.804 3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -14.084 11.110 1.823 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.965 11.747 3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -15.000 13.405 2.002 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.441 14.001 2.536 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.680 14.434 0.144 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.417 13.243 0.385 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.758 11.578 -0.607 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.614 14.583 -0.215 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -16.931 14.018 -1.249 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.444 10.889 -1.908 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -16.835 11.938 -2.202 1.00 0.00 H new ATOM 81 N PRO A 6 -11.991 9.468 1.120 1.00 0.00 N ATOM 82 CA PRO A 6 -11.734 8.602 -0.023 1.00 0.00 C ATOM 83 C PRO A 6 -12.587 9.024 -1.221 1.00 0.00 C ATOM 84 O PRO A 6 -13.535 9.796 -1.061 1.00 0.00 O ATOM 85 CB PRO A 6 -12.104 7.200 0.463 1.00 0.00 C ATOM 86 CG PRO A 6 -13.151 7.453 1.543 1.00 0.00 C ATOM 87 CD PRO A 6 -12.680 8.756 2.176 1.00 0.00 C ATOM 0 HA PRO A 6 -10.699 8.651 -0.362 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.504 6.589 -0.346 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -11.237 6.673 0.862 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.152 7.547 1.121 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.187 6.641 2.269 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -13.522 9.335 2.556 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -12.017 8.566 3.020 1.00 0.00 H new ATOM 95 N PRO A 7 -12.274 8.532 -2.424 1.00 0.00 N ATOM 96 CA PRO A 7 -13.018 8.857 -3.630 1.00 0.00 C ATOM 97 C PRO A 7 -14.438 8.291 -3.564 1.00 0.00 C ATOM 98 O PRO A 7 -14.690 7.315 -2.860 1.00 0.00 O ATOM 99 CB PRO A 7 -12.208 8.262 -4.786 1.00 0.00 C ATOM 100 CG PRO A 7 -11.419 7.130 -4.135 1.00 0.00 C ATOM 101 CD PRO A 7 -11.171 7.634 -2.714 1.00 0.00 C ATOM 0 HA PRO A 7 -13.141 9.932 -3.759 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -12.857 7.892 -5.580 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.547 9.004 -5.234 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.982 6.197 -4.137 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -10.484 6.939 -4.661 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -11.141 6.808 -2.004 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -10.214 8.151 -2.642 1.00 0.00 H new ATOM 109 N PRO A 8 -15.378 8.899 -4.298 1.00 0.00 N ATOM 110 CA PRO A 8 -16.789 8.548 -4.299 1.00 0.00 C ATOM 111 C PRO A 8 -17.099 7.311 -5.152 1.00 0.00 C ATOM 112 O PRO A 8 -18.253 7.101 -5.519 1.00 0.00 O ATOM 113 CB PRO A 8 -17.483 9.783 -4.872 1.00 0.00 C ATOM 114 CG PRO A 8 -16.459 10.300 -5.880 1.00 0.00 C ATOM 115 CD PRO A 8 -15.131 10.028 -5.180 1.00 0.00 C ATOM 0 HA PRO A 8 -17.128 8.286 -3.297 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -18.430 9.531 -5.349 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -17.701 10.521 -4.100 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -16.529 9.776 -6.833 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -16.597 11.361 -6.089 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -14.347 9.797 -5.902 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.799 10.900 -4.617 1.00 0.00 H new ATOM 123 N ASP A 9 -16.091 6.496 -5.474 1.00 0.00 N ATOM 124 CA ASP A 9 -16.275 5.385 -6.397 1.00 0.00 C ATOM 125 C ASP A 9 -15.582 4.112 -5.906 1.00 0.00 C ATOM 126 O ASP A 9 -15.374 3.178 -6.676 1.00 0.00 O ATOM 127 CB ASP A 9 -15.788 5.806 -7.785 1.00 0.00 C ATOM 128 CG ASP A 9 -16.210 4.826 -8.875 1.00 0.00 C ATOM 129 OD1 ASP A 9 -17.378 4.381 -8.833 1.00 0.00 O ATOM 130 OD2 ASP A 9 -15.360 4.526 -9.744 1.00 0.00 O ATOM 0 H ASP A 9 -15.144 6.588 -5.108 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.336 5.141 -6.453 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.180 6.796 -8.019 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.701 5.888 -7.776 1.00 0.00 H new ATOM 135 N VAL A 10 -15.214 4.066 -4.618 1.00 0.00 N ATOM 136 CA VAL A 10 -14.600 2.876 -4.032 1.00 0.00 C ATOM 137 C VAL A 10 -15.532 1.667 -4.114 1.00 0.00 C ATOM 138 O VAL A 10 -15.090 0.530 -3.954 1.00 0.00 O ATOM 139 CB VAL A 10 -14.210 3.128 -2.576 1.00 0.00 C ATOM 140 CG1 VAL A 10 -13.117 4.192 -2.503 1.00 0.00 C ATOM 141 CG2 VAL A 10 -15.405 3.574 -1.727 1.00 0.00 C ATOM 0 H VAL A 10 -15.333 4.841 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.702 2.658 -4.610 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.844 2.184 -2.173 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.846 4.364 -1.461 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.241 3.852 -3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.483 5.120 -2.941 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.080 3.741 -0.700 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.815 4.499 -2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -16.172 2.800 -1.743 1.00 0.00 H new ATOM 151 N GLU A 11 -16.823 1.901 -4.364 1.00 0.00 N ATOM 152 CA GLU A 11 -17.814 0.847 -4.518 1.00 0.00 C ATOM 153 C GLU A 11 -17.682 0.131 -5.863 1.00 0.00 C ATOM 154 O GLU A 11 -18.344 -0.877 -6.102 1.00 0.00 O ATOM 155 CB GLU A 11 -19.207 1.461 -4.398 1.00 0.00 C ATOM 156 CG GLU A 11 -19.452 2.540 -5.456 1.00 0.00 C ATOM 157 CD GLU A 11 -20.861 3.118 -5.320 1.00 0.00 C ATOM 158 OE1 GLU A 11 -21.043 4.018 -4.471 1.00 0.00 O ATOM 159 OE2 GLU A 11 -21.750 2.651 -6.067 1.00 0.00 O ATOM 0 H GLU A 11 -17.208 2.840 -4.465 1.00 0.00 H new ATOM 0 HA GLU A 11 -17.651 0.106 -3.736 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -19.958 0.678 -4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.328 1.893 -3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.715 3.336 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -19.321 2.117 -6.452 1.00 0.00 H new ATOM 166 N GLY A 12 -16.827 0.659 -6.738 1.00 0.00 N ATOM 167 CA GLY A 12 -16.628 0.134 -8.082 1.00 0.00 C ATOM 168 C GLY A 12 -15.152 0.003 -8.448 1.00 0.00 C ATOM 169 O GLY A 12 -14.817 -0.049 -9.630 1.00 0.00 O ATOM 0 H GLY A 12 -16.248 1.472 -6.528 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -17.106 -0.842 -8.161 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -17.120 0.789 -8.801 1.00 0.00 H new ATOM 173 N MET A 13 -14.265 -0.052 -7.448 1.00 0.00 N ATOM 174 CA MET A 13 -12.833 -0.208 -7.670 1.00 0.00 C ATOM 175 C MET A 13 -12.225 -1.128 -6.615 1.00 0.00 C ATOM 176 O MET A 13 -12.841 -1.397 -5.582 1.00 0.00 O ATOM 177 CB MET A 13 -12.142 1.153 -7.610 1.00 0.00 C ATOM 178 CG MET A 13 -12.622 2.083 -8.728 1.00 0.00 C ATOM 179 SD MET A 13 -11.694 3.637 -8.857 1.00 0.00 S ATOM 180 CE MET A 13 -12.025 4.327 -7.213 1.00 0.00 C ATOM 0 H MET A 13 -14.525 0.011 -6.464 1.00 0.00 H new ATOM 0 HA MET A 13 -12.686 -0.649 -8.656 1.00 0.00 H new ATOM 0 HB2 MET A 13 -12.336 1.617 -6.643 1.00 0.00 H new ATOM 0 HB3 MET A 13 -11.063 1.017 -7.688 1.00 0.00 H new ATOM 0 HG2 MET A 13 -12.555 1.554 -9.679 1.00 0.00 H new ATOM 0 HG3 MET A 13 -13.675 2.314 -8.565 1.00 0.00 H new ATOM 0 HE1 MET A 13 -11.633 5.343 -7.159 1.00 0.00 H new ATOM 0 HE2 MET A 13 -13.100 4.343 -7.035 1.00 0.00 H new ATOM 0 HE3 MET A 13 -11.541 3.710 -6.455 1.00 0.00 H new ATOM 190 N THR A 14 -11.008 -1.611 -6.875 1.00 0.00 N ATOM 191 CA THR A 14 -10.285 -2.476 -5.948 1.00 0.00 C ATOM 192 C THR A 14 -9.684 -1.649 -4.813 1.00 0.00 C ATOM 193 O THR A 14 -9.803 -0.423 -4.801 1.00 0.00 O ATOM 194 CB THR A 14 -9.207 -3.255 -6.709 1.00 0.00 C ATOM 195 OG1 THR A 14 -8.629 -4.222 -5.864 1.00 0.00 O ATOM 196 CG2 THR A 14 -8.108 -2.339 -7.237 1.00 0.00 C ATOM 0 H THR A 14 -10.498 -1.412 -7.736 1.00 0.00 H new ATOM 0 HA THR A 14 -10.974 -3.193 -5.502 1.00 0.00 H new ATOM 0 HB THR A 14 -9.692 -3.734 -7.560 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.942 -4.718 -6.356 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.365 -2.932 -7.770 1.00 0.00 H new ATOM 0 HG22 THR A 14 -8.541 -1.605 -7.916 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.631 -1.824 -6.403 1.00 0.00 H new ATOM 203 N SER A 15 -9.037 -2.316 -3.852 1.00 0.00 N ATOM 204 CA SER A 15 -8.397 -1.668 -2.714 1.00 0.00 C ATOM 205 C SER A 15 -7.162 -2.454 -2.292 1.00 0.00 C ATOM 206 O SER A 15 -7.210 -3.679 -2.207 1.00 0.00 O ATOM 207 CB SER A 15 -9.384 -1.608 -1.551 1.00 0.00 C ATOM 208 OG SER A 15 -10.449 -0.728 -1.845 1.00 0.00 O ATOM 0 H SER A 15 -8.945 -3.332 -3.847 1.00 0.00 H new ATOM 0 HA SER A 15 -8.096 -0.659 -2.997 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.775 -2.605 -1.348 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.870 -1.277 -0.648 1.00 0.00 H new ATOM 0 HG SER A 15 -11.072 -0.704 -1.089 1.00 0.00 H new ATOM 214 N LEU A 16 -6.060 -1.748 -2.024 1.00 0.00 N ATOM 215 CA LEU A 16 -4.795 -2.373 -1.642 1.00 0.00 C ATOM 216 C LEU A 16 -4.192 -1.659 -0.434 1.00 0.00 C ATOM 217 O LEU A 16 -3.478 -0.674 -0.604 1.00 0.00 O ATOM 218 CB LEU A 16 -3.870 -2.336 -2.863 1.00 0.00 C ATOM 219 CG LEU A 16 -2.548 -3.109 -2.759 1.00 0.00 C ATOM 220 CD1 LEU A 16 -1.406 -2.222 -2.280 1.00 0.00 C ATOM 221 CD2 LEU A 16 -2.641 -4.351 -1.877 1.00 0.00 C ATOM 0 H LEU A 16 -6.022 -0.730 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.945 -3.410 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.423 -2.724 -3.719 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.637 -1.294 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.336 -3.444 -3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.490 -2.809 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.265 -1.400 -2.981 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.645 -1.822 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.672 -4.850 -1.847 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.930 -4.059 -0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.387 -5.032 -2.286 1.00 0.00 H new ATOM 233 N LYS A 17 -4.489 -2.167 0.771 1.00 0.00 N ATOM 234 CA LYS A 17 -4.032 -1.622 2.048 1.00 0.00 C ATOM 235 C LYS A 17 -2.528 -1.809 2.242 1.00 0.00 C ATOM 236 O LYS A 17 -1.923 -2.714 1.675 1.00 0.00 O ATOM 237 CB LYS A 17 -4.839 -2.271 3.179 1.00 0.00 C ATOM 238 CG LYS A 17 -4.235 -2.139 4.579 1.00 0.00 C ATOM 239 CD LYS A 17 -5.274 -2.650 5.578 1.00 0.00 C ATOM 240 CE LYS A 17 -4.743 -2.708 7.012 1.00 0.00 C ATOM 241 NZ LYS A 17 -4.426 -1.371 7.544 1.00 0.00 N ATOM 0 H LYS A 17 -5.073 -2.996 0.882 1.00 0.00 H new ATOM 0 HA LYS A 17 -4.202 -0.545 2.059 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.836 -1.831 3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.961 -3.330 2.953 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.314 -2.716 4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.979 -1.101 4.790 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -6.150 -2.003 5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.602 -3.645 5.277 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.484 -3.185 7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.848 -3.330 7.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.151 -1.451 8.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.641 -0.958 7.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.262 -0.758 7.463 1.00 0.00 H new ATOM 255 N VAL A 18 -1.946 -0.931 3.064 1.00 0.00 N ATOM 256 CA VAL A 18 -0.543 -0.953 3.463 1.00 0.00 C ATOM 257 C VAL A 18 -0.470 -0.635 4.950 1.00 0.00 C ATOM 258 O VAL A 18 -1.146 0.289 5.400 1.00 0.00 O ATOM 259 CB VAL A 18 0.198 0.146 2.699 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.633 0.289 3.205 1.00 0.00 C ATOM 261 CG2 VAL A 18 0.196 -0.069 1.182 1.00 0.00 C ATOM 0 H VAL A 18 -2.462 -0.158 3.484 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.099 -1.926 3.252 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.349 1.069 2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.139 1.076 2.646 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.621 0.546 4.264 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.163 -0.653 3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.737 0.744 0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.681 -1.017 0.948 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.831 -0.088 0.818 1.00 0.00 H new ATOM 271 N ASP A 19 0.343 -1.389 5.698 1.00 0.00 N ATOM 272 CA ASP A 19 0.432 -1.265 7.147 1.00 0.00 C ATOM 273 C ASP A 19 1.760 -1.780 7.722 1.00 0.00 C ATOM 274 O ASP A 19 2.618 -2.280 6.993 1.00 0.00 O ATOM 275 CB ASP A 19 -0.738 -2.040 7.764 1.00 0.00 C ATOM 276 CG ASP A 19 -0.650 -3.537 7.503 1.00 0.00 C ATOM 277 OD1 ASP A 19 -1.065 -3.958 6.399 1.00 0.00 O ATOM 278 OD2 ASP A 19 -0.166 -4.246 8.411 1.00 0.00 O ATOM 0 H ASP A 19 0.958 -2.104 5.309 1.00 0.00 H new ATOM 0 HA ASP A 19 0.386 -0.205 7.396 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -0.760 -1.863 8.839 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.675 -1.659 7.359 1.00 0.00 H new ATOM 283 N ASN A 20 1.906 -1.646 9.050 1.00 0.00 N ATOM 284 CA ASN A 20 2.993 -2.177 9.876 1.00 0.00 C ATOM 285 C ASN A 20 4.238 -1.279 9.946 1.00 0.00 C ATOM 286 O ASN A 20 5.282 -1.725 10.418 1.00 0.00 O ATOM 287 CB ASN A 20 3.363 -3.609 9.472 1.00 0.00 C ATOM 288 CG ASN A 20 3.836 -4.412 10.680 1.00 0.00 C ATOM 289 OD1 ASN A 20 3.024 -4.842 11.497 1.00 0.00 O ATOM 290 ND2 ASN A 20 5.140 -4.613 10.806 1.00 0.00 N ATOM 0 H ASN A 20 1.224 -1.131 9.607 1.00 0.00 H new ATOM 0 HA ASN A 20 2.592 -2.194 10.889 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.500 -4.098 9.021 1.00 0.00 H new ATOM 0 HB3 ASN A 20 4.148 -3.586 8.716 1.00 0.00 H new ATOM 0 HD21 ASN A 20 5.500 -5.140 11.601 1.00 0.00 H new ATOM 0 HD22 ASN A 20 5.783 -4.241 10.107 1.00 0.00 H new ATOM 297 N LEU A 21 4.161 -0.023 9.493 1.00 0.00 N ATOM 298 CA LEU A 21 5.282 0.911 9.552 1.00 0.00 C ATOM 299 C LEU A 21 5.767 1.157 10.987 1.00 0.00 C ATOM 300 O LEU A 21 5.174 0.683 11.950 1.00 0.00 O ATOM 301 CB LEU A 21 4.876 2.242 8.916 1.00 0.00 C ATOM 302 CG LEU A 21 3.697 2.857 9.678 1.00 0.00 C ATOM 303 CD1 LEU A 21 3.935 4.341 9.932 1.00 0.00 C ATOM 304 CD2 LEU A 21 2.426 2.694 8.863 1.00 0.00 C ATOM 0 H LEU A 21 3.318 0.371 9.076 1.00 0.00 H new ATOM 0 HA LEU A 21 6.108 0.461 9.000 1.00 0.00 H new ATOM 0 HB2 LEU A 21 5.722 2.930 8.924 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.602 2.086 7.873 1.00 0.00 H new ATOM 0 HG LEU A 21 3.599 2.344 10.635 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.086 4.758 10.474 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.841 4.468 10.524 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.048 4.860 8.980 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.588 3.131 9.405 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.541 3.199 7.904 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.236 1.634 8.694 1.00 0.00 H new ATOM 316 N THR A 22 6.860 1.912 11.121 1.00 0.00 N ATOM 317 CA THR A 22 7.455 2.200 12.421 1.00 0.00 C ATOM 318 C THR A 22 6.699 3.293 13.164 1.00 0.00 C ATOM 319 O THR A 22 5.833 3.963 12.611 1.00 0.00 O ATOM 320 CB THR A 22 8.915 2.638 12.262 1.00 0.00 C ATOM 321 OG1 THR A 22 8.964 3.879 11.592 1.00 0.00 O ATOM 322 CG2 THR A 22 9.715 1.614 11.472 1.00 0.00 C ATOM 0 H THR A 22 7.352 2.337 10.335 1.00 0.00 H new ATOM 0 HA THR A 22 7.400 1.279 13.001 1.00 0.00 H new ATOM 0 HB THR A 22 9.353 2.727 13.256 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.897 4.160 11.492 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.746 1.953 11.376 1.00 0.00 H new ATOM 0 HG22 THR A 22 9.695 0.656 11.992 1.00 0.00 H new ATOM 0 HG23 THR A 22 9.278 1.497 10.480 1.00 0.00 H new ATOM 329 N TYR A 23 7.039 3.473 14.443 1.00 0.00 N ATOM 330 CA TYR A 23 6.491 4.540 15.268 1.00 0.00 C ATOM 331 C TYR A 23 7.151 5.884 14.941 1.00 0.00 C ATOM 332 O TYR A 23 6.966 6.855 15.678 1.00 0.00 O ATOM 333 CB TYR A 23 6.679 4.180 16.744 1.00 0.00 C ATOM 334 CG TYR A 23 8.123 3.997 17.156 1.00 0.00 C ATOM 335 CD1 TYR A 23 8.744 2.747 17.017 1.00 0.00 C ATOM 336 CD2 TYR A 23 8.841 5.078 17.688 1.00 0.00 C ATOM 337 CE1 TYR A 23 10.084 2.578 17.392 1.00 0.00 C ATOM 338 CE2 TYR A 23 10.185 4.918 18.064 1.00 0.00 C ATOM 339 CZ TYR A 23 10.811 3.665 17.917 1.00 0.00 C ATOM 340 OH TYR A 23 12.120 3.506 18.276 1.00 0.00 O ATOM 0 H TYR A 23 7.706 2.877 14.933 1.00 0.00 H new ATOM 0 HA TYR A 23 5.427 4.644 15.057 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.234 4.963 17.357 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.133 3.261 16.955 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.187 1.911 16.619 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.359 6.037 17.809 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.559 1.615 17.279 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.738 5.755 18.465 1.00 0.00 H new ATOM 0 HH TYR A 23 12.471 4.355 18.618 1.00 0.00 H new ATOM 350 N ARG A 24 7.920 5.950 13.848 1.00 0.00 N ATOM 351 CA ARG A 24 8.657 7.144 13.448 1.00 0.00 C ATOM 352 C ARG A 24 8.352 7.545 12.007 1.00 0.00 C ATOM 353 O ARG A 24 8.638 8.675 11.614 1.00 0.00 O ATOM 354 CB ARG A 24 10.158 6.879 13.605 1.00 0.00 C ATOM 355 CG ARG A 24 10.579 6.589 15.045 1.00 0.00 C ATOM 356 CD ARG A 24 10.259 7.763 15.965 1.00 0.00 C ATOM 357 NE ARG A 24 10.984 8.974 15.569 1.00 0.00 N ATOM 358 CZ ARG A 24 10.801 10.172 16.136 1.00 0.00 C ATOM 359 NH1 ARG A 24 9.924 10.335 17.122 1.00 0.00 N ATOM 360 NH2 ARG A 24 11.500 11.219 15.711 1.00 0.00 N ATOM 0 H ARG A 24 8.046 5.163 13.211 1.00 0.00 H new ATOM 0 HA ARG A 24 8.346 7.968 14.090 1.00 0.00 H new ATOM 0 HB2 ARG A 24 10.437 6.034 12.976 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.712 7.744 13.240 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.068 5.695 15.402 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.648 6.380 15.078 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.187 7.958 15.947 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.518 7.503 16.991 1.00 0.00 H new ATOM 0 HE ARG A 24 11.669 8.899 14.817 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.379 9.540 17.457 1.00 0.00 H new ATOM 0 HH12 ARG A 24 9.796 11.255 17.544 1.00 0.00 H new ATOM 0 HH21 ARG A 24 12.175 11.109 14.954 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.362 12.133 16.142 1.00 0.00 H new ATOM 374 N THR A 25 7.772 6.637 11.218 1.00 0.00 N ATOM 375 CA THR A 25 7.324 6.950 9.868 1.00 0.00 C ATOM 376 C THR A 25 6.043 7.785 9.967 1.00 0.00 C ATOM 377 O THR A 25 5.446 7.871 11.041 1.00 0.00 O ATOM 378 CB THR A 25 7.125 5.646 9.088 1.00 0.00 C ATOM 379 OG1 THR A 25 8.339 4.928 9.061 1.00 0.00 O ATOM 380 CG2 THR A 25 6.707 5.883 7.638 1.00 0.00 C ATOM 0 H THR A 25 7.603 5.671 11.499 1.00 0.00 H new ATOM 0 HA THR A 25 8.065 7.536 9.325 1.00 0.00 H new ATOM 0 HB THR A 25 6.333 5.096 9.596 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.523 4.563 9.952 1.00 0.00 H new ATOM 0 HG21 THR A 25 6.581 4.925 7.134 1.00 0.00 H new ATOM 0 HG22 THR A 25 5.765 6.431 7.616 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.476 6.462 7.128 1.00 0.00 H new ATOM 387 N SER A 26 5.610 8.400 8.862 1.00 0.00 N ATOM 388 CA SER A 26 4.464 9.304 8.863 1.00 0.00 C ATOM 389 C SER A 26 3.627 9.103 7.600 1.00 0.00 C ATOM 390 O SER A 26 4.108 8.534 6.622 1.00 0.00 O ATOM 391 CB SER A 26 4.990 10.741 8.932 1.00 0.00 C ATOM 392 OG SER A 26 5.706 10.929 10.135 1.00 0.00 O ATOM 0 H SER A 26 6.045 8.283 7.947 1.00 0.00 H new ATOM 0 HA SER A 26 3.826 9.098 9.722 1.00 0.00 H new ATOM 0 HB2 SER A 26 5.636 10.943 8.078 1.00 0.00 H new ATOM 0 HB3 SER A 26 4.160 11.445 8.878 1.00 0.00 H new ATOM 0 HG SER A 26 6.042 11.849 10.175 1.00 0.00 H new ATOM 398 N PRO A 27 2.370 9.565 7.597 1.00 0.00 N ATOM 399 CA PRO A 27 1.507 9.453 6.432 1.00 0.00 C ATOM 400 C PRO A 27 1.997 10.349 5.296 1.00 0.00 C ATOM 401 O PRO A 27 1.594 10.159 4.152 1.00 0.00 O ATOM 402 CB PRO A 27 0.116 9.856 6.919 1.00 0.00 C ATOM 403 CG PRO A 27 0.398 10.787 8.093 1.00 0.00 C ATOM 404 CD PRO A 27 1.679 10.214 8.700 1.00 0.00 C ATOM 0 HA PRO A 27 1.503 8.443 6.022 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.452 10.359 6.136 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -0.467 8.988 7.228 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.535 11.817 7.765 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.422 10.787 8.811 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.292 11.001 9.140 1.00 0.00 H new ATOM 0 HD3 PRO A 27 1.454 9.504 9.495 1.00 0.00 H new ATOM 412 N ASP A 28 2.861 11.327 5.593 1.00 0.00 N ATOM 413 CA ASP A 28 3.431 12.183 4.563 1.00 0.00 C ATOM 414 C ASP A 28 4.401 11.369 3.705 1.00 0.00 C ATOM 415 O ASP A 28 4.400 11.485 2.476 1.00 0.00 O ATOM 416 CB ASP A 28 4.184 13.342 5.215 1.00 0.00 C ATOM 417 CG ASP A 28 3.267 14.200 6.083 1.00 0.00 C ATOM 418 OD1 ASP A 28 3.152 13.879 7.289 1.00 0.00 O ATOM 419 OD2 ASP A 28 2.692 15.168 5.536 1.00 0.00 O ATOM 0 H ASP A 28 3.176 11.540 6.539 1.00 0.00 H new ATOM 0 HA ASP A 28 2.630 12.577 3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.998 12.949 5.825 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.636 13.962 4.441 1.00 0.00 H new ATOM 424 N THR A 29 5.230 10.541 4.348 1.00 0.00 N ATOM 425 CA THR A 29 6.158 9.713 3.600 1.00 0.00 C ATOM 426 C THR A 29 5.356 8.712 2.800 1.00 0.00 C ATOM 427 O THR A 29 5.560 8.599 1.601 1.00 0.00 O ATOM 428 CB THR A 29 7.135 8.942 4.497 1.00 0.00 C ATOM 429 OG1 THR A 29 6.614 8.755 5.794 1.00 0.00 O ATOM 430 CG2 THR A 29 8.439 9.721 4.630 1.00 0.00 C ATOM 0 H THR A 29 5.273 10.433 5.361 1.00 0.00 H new ATOM 0 HA THR A 29 6.750 10.373 2.966 1.00 0.00 H new ATOM 0 HB THR A 29 7.302 7.971 4.031 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.663 8.526 5.735 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.129 9.169 5.268 1.00 0.00 H new ATOM 0 HG22 THR A 29 8.885 9.855 3.644 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.237 10.696 5.073 1.00 0.00 H new ATOM 437 N LEU A 30 4.447 7.985 3.448 1.00 0.00 N ATOM 438 CA LEU A 30 3.756 6.900 2.779 1.00 0.00 C ATOM 439 C LEU A 30 3.012 7.405 1.544 1.00 0.00 C ATOM 440 O LEU A 30 2.797 6.641 0.609 1.00 0.00 O ATOM 441 CB LEU A 30 2.805 6.197 3.746 1.00 0.00 C ATOM 442 CG LEU A 30 3.542 5.717 5.001 1.00 0.00 C ATOM 443 CD1 LEU A 30 2.506 5.381 6.068 1.00 0.00 C ATOM 444 CD2 LEU A 30 4.378 4.480 4.690 1.00 0.00 C ATOM 0 H LEU A 30 4.179 8.129 4.422 1.00 0.00 H new ATOM 0 HA LEU A 30 4.498 6.175 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.003 6.878 4.031 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.339 5.347 3.248 1.00 0.00 H new ATOM 0 HG LEU A 30 4.211 6.502 5.354 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.011 5.037 6.970 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.919 6.270 6.298 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.846 4.595 5.700 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.894 4.153 5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.727 3.681 4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.111 4.720 3.920 1.00 0.00 H new ATOM 456 N ARG A 31 2.618 8.680 1.522 1.00 0.00 N ATOM 457 CA ARG A 31 1.969 9.259 0.354 1.00 0.00 C ATOM 458 C ARG A 31 2.957 9.380 -0.804 1.00 0.00 C ATOM 459 O ARG A 31 2.604 9.087 -1.945 1.00 0.00 O ATOM 460 CB ARG A 31 1.389 10.623 0.758 1.00 0.00 C ATOM 461 CG ARG A 31 0.835 11.422 -0.420 1.00 0.00 C ATOM 462 CD ARG A 31 -0.248 10.653 -1.178 1.00 0.00 C ATOM 463 NE ARG A 31 -0.804 11.466 -2.263 1.00 0.00 N ATOM 464 CZ ARG A 31 -0.152 11.762 -3.390 1.00 0.00 C ATOM 465 NH1 ARG A 31 1.073 11.291 -3.609 1.00 0.00 N ATOM 466 NH2 ARG A 31 -0.721 12.531 -4.314 1.00 0.00 N ATOM 0 H ARG A 31 2.739 9.327 2.301 1.00 0.00 H new ATOM 0 HA ARG A 31 1.161 8.615 0.007 1.00 0.00 H new ATOM 0 HB2 ARG A 31 0.595 10.469 1.488 1.00 0.00 H new ATOM 0 HB3 ARG A 31 2.166 11.208 1.250 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.424 12.364 -0.057 1.00 0.00 H new ATOM 0 HG3 ARG A 31 1.647 11.671 -1.103 1.00 0.00 H new ATOM 0 HD2 ARG A 31 0.171 9.733 -1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.043 10.364 -0.491 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.750 11.829 -2.150 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.523 10.697 -2.912 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.562 11.524 -4.474 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.661 12.898 -4.164 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.218 12.754 -5.173 1.00 0.00 H new ATOM 480 N ARG A 32 4.191 9.809 -0.523 1.00 0.00 N ATOM 481 CA ARG A 32 5.180 10.047 -1.576 1.00 0.00 C ATOM 482 C ARG A 32 5.955 8.777 -1.932 1.00 0.00 C ATOM 483 O ARG A 32 6.195 8.513 -3.106 1.00 0.00 O ATOM 484 CB ARG A 32 6.141 11.125 -1.078 1.00 0.00 C ATOM 485 CG ARG A 32 7.188 11.456 -2.143 1.00 0.00 C ATOM 486 CD ARG A 32 8.145 12.507 -1.591 1.00 0.00 C ATOM 487 NE ARG A 32 9.180 12.852 -2.572 1.00 0.00 N ATOM 488 CZ ARG A 32 10.154 13.738 -2.350 1.00 0.00 C ATOM 489 NH1 ARG A 32 10.234 14.383 -1.188 1.00 0.00 N ATOM 490 NH2 ARG A 32 11.055 13.981 -3.295 1.00 0.00 N ATOM 0 H ARG A 32 4.527 9.998 0.421 1.00 0.00 H new ATOM 0 HA ARG A 32 4.667 10.367 -2.483 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.582 12.025 -0.819 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.636 10.785 -0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 32 7.737 10.557 -2.423 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.702 11.827 -3.046 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.587 13.402 -1.318 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.614 12.133 -0.681 1.00 0.00 H new ATOM 0 HE ARG A 32 9.154 12.387 -3.479 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.547 14.202 -0.456 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.982 15.058 -1.030 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.002 13.491 -4.188 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.800 14.657 -3.128 1.00 0.00 H new ATOM 504 N VAL A 33 6.346 7.994 -0.926 1.00 0.00 N ATOM 505 CA VAL A 33 7.110 6.766 -1.105 1.00 0.00 C ATOM 506 C VAL A 33 6.286 5.693 -1.817 1.00 0.00 C ATOM 507 O VAL A 33 6.863 4.810 -2.445 1.00 0.00 O ATOM 508 CB VAL A 33 7.621 6.267 0.256 1.00 0.00 C ATOM 509 CG1 VAL A 33 8.407 7.359 0.980 1.00 0.00 C ATOM 510 CG2 VAL A 33 6.470 5.738 1.091 1.00 0.00 C ATOM 0 H VAL A 33 6.136 8.201 0.050 1.00 0.00 H new ATOM 0 HA VAL A 33 7.968 6.982 -1.742 1.00 0.00 H new ATOM 0 HB VAL A 33 8.311 5.440 0.090 1.00 0.00 H new ATOM 0 HG11 VAL A 33 8.757 6.980 1.940 1.00 0.00 H new ATOM 0 HG12 VAL A 33 9.263 7.655 0.373 1.00 0.00 H new ATOM 0 HG13 VAL A 33 7.763 8.223 1.144 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.848 5.388 2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 33 5.743 6.534 1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.990 4.911 0.567 1.00 0.00 H new ATOM 520 N PHE A 34 4.947 5.758 -1.731 1.00 0.00 N ATOM 521 CA PHE A 34 4.081 4.855 -2.480 1.00 0.00 C ATOM 522 C PHE A 34 3.577 5.481 -3.782 1.00 0.00 C ATOM 523 O PHE A 34 3.102 4.761 -4.658 1.00 0.00 O ATOM 524 CB PHE A 34 2.893 4.415 -1.633 1.00 0.00 C ATOM 525 CG PHE A 34 3.215 3.290 -0.680 1.00 0.00 C ATOM 526 CD1 PHE A 34 3.812 3.552 0.559 1.00 0.00 C ATOM 527 CD2 PHE A 34 2.923 1.972 -1.050 1.00 0.00 C ATOM 528 CE1 PHE A 34 4.156 2.492 1.406 1.00 0.00 C ATOM 529 CE2 PHE A 34 3.256 0.911 -0.193 1.00 0.00 C ATOM 530 CZ PHE A 34 3.882 1.173 1.030 1.00 0.00 C ATOM 0 H PHE A 34 4.448 6.430 -1.148 1.00 0.00 H new ATOM 0 HA PHE A 34 4.686 3.986 -2.737 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.527 5.269 -1.063 1.00 0.00 H new ATOM 0 HB3 PHE A 34 2.084 4.101 -2.292 1.00 0.00 H new ATOM 0 HD1 PHE A 34 4.007 4.571 0.861 1.00 0.00 H new ATOM 0 HD2 PHE A 34 2.441 1.771 -1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 34 4.635 2.693 2.353 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.029 -0.106 -0.478 1.00 0.00 H new ATOM 0 HZ PHE A 34 4.154 0.357 1.684 1.00 0.00 H new ATOM 540 N GLU A 35 3.670 6.808 -3.921 1.00 0.00 N ATOM 541 CA GLU A 35 3.264 7.486 -5.149 1.00 0.00 C ATOM 542 C GLU A 35 3.942 6.884 -6.383 1.00 0.00 C ATOM 543 O GLU A 35 3.372 6.895 -7.474 1.00 0.00 O ATOM 544 CB GLU A 35 3.602 8.976 -5.044 1.00 0.00 C ATOM 545 CG GLU A 35 3.105 9.757 -6.257 1.00 0.00 C ATOM 546 CD GLU A 35 3.461 11.236 -6.143 1.00 0.00 C ATOM 547 OE1 GLU A 35 4.639 11.575 -6.395 1.00 0.00 O ATOM 548 OE2 GLU A 35 2.547 12.019 -5.806 1.00 0.00 O ATOM 0 H GLU A 35 4.024 7.431 -3.195 1.00 0.00 H new ATOM 0 HA GLU A 35 2.189 7.354 -5.267 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.155 9.387 -4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.681 9.098 -4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.544 9.343 -7.165 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.024 9.646 -6.347 1.00 0.00 H new ATOM 555 N LYS A 36 5.162 6.356 -6.218 1.00 0.00 N ATOM 556 CA LYS A 36 5.945 5.829 -7.327 1.00 0.00 C ATOM 557 C LYS A 36 5.399 4.513 -7.869 1.00 0.00 C ATOM 558 O LYS A 36 5.676 4.153 -9.012 1.00 0.00 O ATOM 559 CB LYS A 36 7.392 5.657 -6.868 1.00 0.00 C ATOM 560 CG LYS A 36 7.575 4.468 -5.925 1.00 0.00 C ATOM 561 CD LYS A 36 9.030 4.345 -5.468 1.00 0.00 C ATOM 562 CE LYS A 36 9.463 5.573 -4.666 1.00 0.00 C ATOM 563 NZ LYS A 36 10.852 5.439 -4.185 1.00 0.00 N ATOM 0 H LYS A 36 5.626 6.285 -5.313 1.00 0.00 H new ATOM 0 HA LYS A 36 5.885 6.543 -8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.032 5.525 -7.740 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.720 6.567 -6.366 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.927 4.586 -5.057 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.270 3.551 -6.428 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.148 3.449 -4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.678 4.227 -6.336 1.00 0.00 H new ATOM 0 HE2 LYS A 36 9.376 6.465 -5.287 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.794 5.709 -3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 11.116 6.288 -3.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 10.928 4.602 -3.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.492 5.333 -4.998 1.00 0.00 H new ATOM 577 N TYR A 37 4.621 3.801 -7.055 1.00 0.00 N ATOM 578 CA TYR A 37 4.042 2.523 -7.447 1.00 0.00 C ATOM 579 C TYR A 37 2.748 2.731 -8.218 1.00 0.00 C ATOM 580 O TYR A 37 2.276 1.808 -8.879 1.00 0.00 O ATOM 581 CB TYR A 37 3.758 1.682 -6.207 1.00 0.00 C ATOM 582 CG TYR A 37 5.012 1.292 -5.474 1.00 0.00 C ATOM 583 CD1 TYR A 37 5.623 2.206 -4.610 1.00 0.00 C ATOM 584 CD2 TYR A 37 5.571 0.021 -5.666 1.00 0.00 C ATOM 585 CE1 TYR A 37 6.802 1.865 -3.936 1.00 0.00 C ATOM 586 CE2 TYR A 37 6.746 -0.331 -4.991 1.00 0.00 C ATOM 587 CZ TYR A 37 7.372 0.589 -4.133 1.00 0.00 C ATOM 588 OH TYR A 37 8.530 0.252 -3.495 1.00 0.00 O ATOM 0 H TYR A 37 4.377 4.095 -6.109 1.00 0.00 H new ATOM 0 HA TYR A 37 4.756 2.007 -8.089 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.107 2.241 -5.535 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.217 0.782 -6.499 1.00 0.00 H new ATOM 0 HD1 TYR A 37 5.183 3.181 -4.462 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.097 -0.684 -6.332 1.00 0.00 H new ATOM 0 HE1 TYR A 37 7.272 2.574 -3.270 1.00 0.00 H new ATOM 0 HE2 TYR A 37 7.173 -1.313 -5.130 1.00 0.00 H new ATOM 0 HH TYR A 37 8.784 -0.662 -3.740 1.00 0.00 H new ATOM 598 N GLY A 38 2.170 3.930 -8.141 1.00 0.00 N ATOM 599 CA GLY A 38 0.933 4.223 -8.828 1.00 0.00 C ATOM 600 C GLY A 38 0.044 5.128 -7.988 1.00 0.00 C ATOM 601 O GLY A 38 0.499 5.809 -7.072 1.00 0.00 O ATOM 0 H GLY A 38 2.549 4.711 -7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.148 4.703 -9.783 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.407 3.294 -9.049 1.00 0.00 H new ATOM 605 N ARG A 39 -1.244 5.112 -8.333 1.00 0.00 N ATOM 606 CA ARG A 39 -2.290 5.902 -7.705 1.00 0.00 C ATOM 607 C ARG A 39 -2.454 5.566 -6.222 1.00 0.00 C ATOM 608 O ARG A 39 -3.226 4.687 -5.848 1.00 0.00 O ATOM 609 CB ARG A 39 -3.590 5.764 -8.509 1.00 0.00 C ATOM 610 CG ARG A 39 -4.214 4.368 -8.426 1.00 0.00 C ATOM 611 CD ARG A 39 -5.141 4.130 -9.615 1.00 0.00 C ATOM 612 NE ARG A 39 -4.371 3.881 -10.835 1.00 0.00 N ATOM 613 CZ ARG A 39 -4.823 4.080 -12.075 1.00 0.00 C ATOM 614 NH1 ARG A 39 -6.055 4.537 -12.284 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.038 3.821 -13.117 1.00 0.00 N ATOM 0 H ARG A 39 -1.595 4.523 -9.088 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.001 6.953 -7.722 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.311 6.498 -8.148 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.389 6.002 -9.554 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.429 3.612 -8.411 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.772 4.267 -7.495 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.791 3.279 -9.410 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.786 4.997 -9.758 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.419 3.530 -10.730 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.665 4.739 -11.492 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.389 4.685 -13.236 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.092 3.471 -12.968 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.382 3.973 -14.065 1.00 0.00 H new ATOM 629 N VAL A 40 -1.714 6.290 -5.380 1.00 0.00 N ATOM 630 CA VAL A 40 -1.877 6.309 -3.926 1.00 0.00 C ATOM 631 C VAL A 40 -3.171 7.075 -3.617 1.00 0.00 C ATOM 632 O VAL A 40 -3.200 8.026 -2.839 1.00 0.00 O ATOM 633 CB VAL A 40 -0.620 6.924 -3.303 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.304 8.287 -3.917 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.709 7.017 -1.776 1.00 0.00 C ATOM 0 H VAL A 40 -0.961 6.898 -5.702 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.977 5.314 -3.493 1.00 0.00 H new ATOM 0 HB VAL A 40 0.204 6.248 -3.533 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.593 8.696 -3.453 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.139 8.174 -4.989 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.141 8.965 -3.748 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.207 7.460 -1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.560 7.639 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.837 6.019 -1.358 1.00 0.00 H new ATOM 645 N GLY A 41 -4.263 6.640 -4.252 1.00 0.00 N ATOM 646 CA GLY A 41 -5.574 7.276 -4.200 1.00 0.00 C ATOM 647 C GLY A 41 -6.140 7.382 -2.784 1.00 0.00 C ATOM 648 O GLY A 41 -7.163 8.032 -2.584 1.00 0.00 O ATOM 0 H GLY A 41 -4.254 5.804 -4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -5.503 8.275 -4.631 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.269 6.710 -4.820 1.00 0.00 H new ATOM 652 N ASP A 42 -5.482 6.752 -1.810 1.00 0.00 N ATOM 653 CA ASP A 42 -5.867 6.832 -0.412 1.00 0.00 C ATOM 654 C ASP A 42 -4.631 6.699 0.465 1.00 0.00 C ATOM 655 O ASP A 42 -3.696 5.975 0.136 1.00 0.00 O ATOM 656 CB ASP A 42 -6.824 5.688 -0.082 1.00 0.00 C ATOM 657 CG ASP A 42 -8.273 6.136 -0.026 1.00 0.00 C ATOM 658 OD1 ASP A 42 -8.610 6.846 0.945 1.00 0.00 O ATOM 659 OD2 ASP A 42 -9.031 5.763 -0.948 1.00 0.00 O ATOM 0 H ASP A 42 -4.662 6.169 -1.977 1.00 0.00 H new ATOM 0 HA ASP A 42 -6.352 7.791 -0.229 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -6.719 4.904 -0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -6.545 5.251 0.877 1.00 0.00 H new ATOM 664 N VAL A 43 -4.642 7.406 1.594 1.00 0.00 N ATOM 665 CA VAL A 43 -3.584 7.355 2.590 1.00 0.00 C ATOM 666 C VAL A 43 -4.203 7.721 3.933 1.00 0.00 C ATOM 667 O VAL A 43 -4.538 8.877 4.180 1.00 0.00 O ATOM 668 CB VAL A 43 -2.408 8.264 2.186 1.00 0.00 C ATOM 669 CG1 VAL A 43 -2.868 9.621 1.646 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.425 8.457 3.340 1.00 0.00 C ATOM 0 H VAL A 43 -5.402 8.040 1.842 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.156 6.355 2.666 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.895 7.748 1.374 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.998 10.220 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.491 9.470 0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.444 10.141 2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.609 9.104 3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.940 8.916 4.184 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.024 7.489 3.642 1.00 0.00 H new ATOM 680 N TYR A 44 -4.358 6.720 4.804 1.00 0.00 N ATOM 681 CA TYR A 44 -4.983 6.912 6.103 1.00 0.00 C ATOM 682 C TYR A 44 -4.218 6.175 7.194 1.00 0.00 C ATOM 683 O TYR A 44 -3.383 5.320 6.907 1.00 0.00 O ATOM 684 CB TYR A 44 -6.441 6.471 6.051 1.00 0.00 C ATOM 685 CG TYR A 44 -7.227 6.998 7.229 1.00 0.00 C ATOM 686 CD1 TYR A 44 -7.488 8.376 7.320 1.00 0.00 C ATOM 687 CD2 TYR A 44 -7.665 6.130 8.233 1.00 0.00 C ATOM 688 CE1 TYR A 44 -8.181 8.885 8.425 1.00 0.00 C ATOM 689 CE2 TYR A 44 -8.362 6.633 9.338 1.00 0.00 C ATOM 690 CZ TYR A 44 -8.617 8.014 9.443 1.00 0.00 C ATOM 691 OH TYR A 44 -9.277 8.507 10.523 1.00 0.00 O ATOM 0 H TYR A 44 -4.054 5.763 4.625 1.00 0.00 H new ATOM 0 HA TYR A 44 -4.954 7.973 6.350 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -6.895 6.823 5.124 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.492 5.382 6.038 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.154 9.042 6.538 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -7.466 5.071 8.156 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.381 9.944 8.497 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -8.705 5.961 10.111 1.00 0.00 H new ATOM 0 HH TYR A 44 -9.776 9.309 10.263 1.00 0.00 H new ATOM 701 N ILE A 45 -4.513 6.510 8.451 1.00 0.00 N ATOM 702 CA ILE A 45 -3.928 5.876 9.624 1.00 0.00 C ATOM 703 C ILE A 45 -5.043 5.726 10.663 1.00 0.00 C ATOM 704 O ILE A 45 -5.340 6.669 11.394 1.00 0.00 O ATOM 705 CB ILE A 45 -2.737 6.693 10.146 1.00 0.00 C ATOM 706 CG1 ILE A 45 -1.567 6.583 9.156 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.292 6.157 11.506 1.00 0.00 C ATOM 708 CD1 ILE A 45 -0.349 7.400 9.594 1.00 0.00 C ATOM 0 H ILE A 45 -5.180 7.246 8.682 1.00 0.00 H new ATOM 0 HA ILE A 45 -3.527 4.892 9.383 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.040 7.735 10.249 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.280 5.537 9.052 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.894 6.923 8.173 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.447 6.742 11.869 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.117 6.233 12.215 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.994 5.113 11.406 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.448 7.287 8.859 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.625 8.452 9.671 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.002 7.044 10.564 1.00 0.00 H new ATOM 720 N PRO A 46 -5.659 4.534 10.721 1.00 0.00 N ATOM 721 CA PRO A 46 -6.720 4.140 11.647 1.00 0.00 C ATOM 722 C PRO A 46 -6.424 4.292 13.145 1.00 0.00 C ATOM 723 O PRO A 46 -7.082 3.638 13.955 1.00 0.00 O ATOM 724 CB PRO A 46 -7.034 2.684 11.308 1.00 0.00 C ATOM 725 CG PRO A 46 -6.588 2.539 9.859 1.00 0.00 C ATOM 726 CD PRO A 46 -5.369 3.448 9.804 1.00 0.00 C ATOM 0 HA PRO A 46 -7.556 4.825 11.505 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -6.497 1.997 11.962 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -8.096 2.468 11.422 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -6.338 1.507 9.612 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.363 2.855 9.161 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.466 2.914 10.100 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.202 3.821 8.793 1.00 0.00 H new ATOM 734 N ARG A 47 -5.458 5.126 13.527 1.00 0.00 N ATOM 735 CA ARG A 47 -5.170 5.426 14.924 1.00 0.00 C ATOM 736 C ARG A 47 -6.456 5.760 15.672 1.00 0.00 C ATOM 737 O ARG A 47 -7.373 6.357 15.109 1.00 0.00 O ATOM 738 CB ARG A 47 -4.200 6.609 14.995 1.00 0.00 C ATOM 739 CG ARG A 47 -2.760 6.103 14.938 1.00 0.00 C ATOM 740 CD ARG A 47 -1.783 7.231 14.590 1.00 0.00 C ATOM 741 NE ARG A 47 -1.301 7.930 15.781 1.00 0.00 N ATOM 742 CZ ARG A 47 -0.557 9.041 15.752 1.00 0.00 C ATOM 743 NH1 ARG A 47 -0.227 9.612 14.599 1.00 0.00 N ATOM 744 NH2 ARG A 47 -0.146 9.583 16.896 1.00 0.00 N ATOM 0 H ARG A 47 -4.850 5.615 12.869 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.717 4.552 15.393 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.387 7.294 14.168 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.362 7.169 15.916 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.488 5.668 15.900 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -2.681 5.309 14.195 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.934 6.819 14.044 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -2.274 7.943 13.926 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.548 7.545 16.693 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.542 9.203 13.719 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.341 10.459 14.594 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -0.399 9.151 17.785 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.422 10.430 16.884 1.00 0.00 H new ATOM 758 N ASP A 48 -6.521 5.372 16.948 1.00 0.00 N ATOM 759 CA ASP A 48 -7.682 5.635 17.780 1.00 0.00 C ATOM 760 C ASP A 48 -7.998 7.129 17.754 1.00 0.00 C ATOM 761 O ASP A 48 -7.146 7.964 18.048 1.00 0.00 O ATOM 762 CB ASP A 48 -7.422 5.142 19.204 1.00 0.00 C ATOM 763 CG ASP A 48 -7.293 3.620 19.249 1.00 0.00 C ATOM 764 OD1 ASP A 48 -6.179 3.120 18.974 1.00 0.00 O ATOM 765 OD2 ASP A 48 -8.315 2.968 19.562 1.00 0.00 O ATOM 0 H ASP A 48 -5.772 4.870 17.425 1.00 0.00 H new ATOM 0 HA ASP A 48 -8.547 5.096 17.393 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -6.510 5.598 19.588 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -8.236 5.460 19.856 1.00 0.00 H new ATOM 770 N ARG A 49 -9.247 7.443 17.391 1.00 0.00 N ATOM 771 CA ARG A 49 -9.750 8.792 17.162 1.00 0.00 C ATOM 772 C ARG A 49 -9.714 9.683 18.410 1.00 0.00 C ATOM 773 O ARG A 49 -10.203 10.808 18.360 1.00 0.00 O ATOM 774 CB ARG A 49 -11.163 8.635 16.590 1.00 0.00 C ATOM 775 CG ARG A 49 -11.808 9.938 16.114 1.00 0.00 C ATOM 776 CD ARG A 49 -13.056 9.554 15.326 1.00 0.00 C ATOM 777 NE ARG A 49 -13.820 10.722 14.881 1.00 0.00 N ATOM 778 CZ ARG A 49 -14.924 11.180 15.478 1.00 0.00 C ATOM 779 NH1 ARG A 49 -15.386 10.616 16.592 1.00 0.00 N ATOM 780 NH2 ARG A 49 -15.572 12.216 14.956 1.00 0.00 N ATOM 0 H ARG A 49 -9.961 6.730 17.244 1.00 0.00 H new ATOM 0 HA ARG A 49 -9.101 9.316 16.461 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.126 7.937 15.754 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -11.801 8.187 17.352 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -12.067 10.573 16.962 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -11.117 10.505 15.490 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -12.766 8.962 14.458 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -13.693 8.922 15.945 1.00 0.00 H new ATOM 0 HE ARG A 49 -13.485 11.221 14.057 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -14.896 9.822 17.003 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -16.230 10.978 17.035 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -15.226 12.657 14.104 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -16.415 12.570 15.407 1.00 0.00 H new ATOM 794 N TYR A 50 -9.147 9.201 19.522 1.00 0.00 N ATOM 795 CA TYR A 50 -9.179 9.944 20.781 1.00 0.00 C ATOM 796 C TYR A 50 -7.901 9.784 21.601 1.00 0.00 C ATOM 797 O TYR A 50 -7.735 10.471 22.608 1.00 0.00 O ATOM 798 CB TYR A 50 -10.358 9.466 21.632 1.00 0.00 C ATOM 799 CG TYR A 50 -11.618 9.156 20.855 1.00 0.00 C ATOM 800 CD1 TYR A 50 -12.429 10.188 20.360 1.00 0.00 C ATOM 801 CD2 TYR A 50 -11.968 7.817 20.633 1.00 0.00 C ATOM 802 CE1 TYR A 50 -13.585 9.881 19.629 1.00 0.00 C ATOM 803 CE2 TYR A 50 -13.128 7.504 19.911 1.00 0.00 C ATOM 804 CZ TYR A 50 -13.934 8.535 19.394 1.00 0.00 C ATOM 805 OH TYR A 50 -15.055 8.239 18.673 1.00 0.00 O ATOM 0 H TYR A 50 -8.664 8.304 19.573 1.00 0.00 H new ATOM 0 HA TYR A 50 -9.280 10.997 20.517 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -10.055 8.572 22.177 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -10.585 10.231 22.375 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -12.163 11.219 20.542 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -11.343 7.025 21.019 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -14.208 10.675 19.246 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -13.403 6.472 19.752 1.00 0.00 H new ATOM 0 HH TYR A 50 -15.151 7.266 18.602 1.00 0.00 H new ATOM 815 N THR A 51 -6.999 8.886 21.192 1.00 0.00 N ATOM 816 CA THR A 51 -5.782 8.611 21.948 1.00 0.00 C ATOM 817 C THR A 51 -4.573 8.443 21.029 1.00 0.00 C ATOM 818 O THR A 51 -3.442 8.626 21.472 1.00 0.00 O ATOM 819 CB THR A 51 -5.971 7.352 22.800 1.00 0.00 C ATOM 820 OG1 THR A 51 -6.055 6.223 21.963 1.00 0.00 O ATOM 821 CG2 THR A 51 -7.249 7.421 23.636 1.00 0.00 C ATOM 0 H THR A 51 -7.093 8.337 20.337 1.00 0.00 H new ATOM 0 HA THR A 51 -5.591 9.466 22.596 1.00 0.00 H new ATOM 0 HB THR A 51 -5.114 7.280 23.470 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.174 5.419 22.510 1.00 0.00 H new ATOM 0 HG21 THR A 51 -7.347 6.510 24.226 1.00 0.00 H new ATOM 0 HG22 THR A 51 -7.202 8.282 24.303 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.111 7.520 22.976 1.00 0.00 H new ATOM 828 N LYS A 52 -4.810 8.104 19.755 1.00 0.00 N ATOM 829 CA LYS A 52 -3.814 7.997 18.701 1.00 0.00 C ATOM 830 C LYS A 52 -2.549 7.228 19.103 1.00 0.00 C ATOM 831 O LYS A 52 -1.488 7.441 18.517 1.00 0.00 O ATOM 832 CB LYS A 52 -3.490 9.400 18.176 1.00 0.00 C ATOM 833 CG LYS A 52 -4.756 10.117 17.692 1.00 0.00 C ATOM 834 CD LYS A 52 -4.386 11.492 17.142 1.00 0.00 C ATOM 835 CE LYS A 52 -5.657 12.213 16.694 1.00 0.00 C ATOM 836 NZ LYS A 52 -5.348 13.545 16.144 1.00 0.00 N ATOM 0 H LYS A 52 -5.750 7.888 19.424 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.248 7.394 17.904 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.016 9.985 18.964 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.774 9.328 17.357 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.249 9.526 16.920 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.464 10.221 18.514 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.872 12.076 17.906 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.698 11.388 16.303 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.171 11.616 15.941 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.338 12.315 17.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -6.229 14.011 15.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.879 14.121 16.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.717 13.444 15.323 1.00 0.00 H new ATOM 850 N GLU A 53 -2.647 6.342 20.093 1.00 0.00 N ATOM 851 CA GLU A 53 -1.517 5.597 20.645 1.00 0.00 C ATOM 852 C GLU A 53 -1.108 4.399 19.781 1.00 0.00 C ATOM 853 O GLU A 53 -0.487 3.461 20.282 1.00 0.00 O ATOM 854 CB GLU A 53 -1.862 5.159 22.073 1.00 0.00 C ATOM 855 CG GLU A 53 -3.043 4.192 22.100 1.00 0.00 C ATOM 856 CD GLU A 53 -3.376 3.788 23.536 1.00 0.00 C ATOM 857 OE1 GLU A 53 -2.747 2.824 24.027 1.00 0.00 O ATOM 858 OE2 GLU A 53 -4.255 4.444 24.137 1.00 0.00 O ATOM 0 H GLU A 53 -3.534 6.117 20.543 1.00 0.00 H new ATOM 0 HA GLU A 53 -0.650 6.258 20.657 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.993 4.684 22.527 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.097 6.036 22.676 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.912 4.659 21.637 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.807 3.305 21.513 1.00 0.00 H new ATOM 865 N SER A 54 -1.447 4.414 18.489 1.00 0.00 N ATOM 866 CA SER A 54 -1.280 3.248 17.623 1.00 0.00 C ATOM 867 C SER A 54 -0.636 3.602 16.283 1.00 0.00 C ATOM 868 O SER A 54 -1.008 3.051 15.249 1.00 0.00 O ATOM 869 CB SER A 54 -2.641 2.570 17.424 1.00 0.00 C ATOM 870 OG SER A 54 -3.221 2.273 18.677 1.00 0.00 O ATOM 0 H SER A 54 -1.842 5.229 18.019 1.00 0.00 H new ATOM 0 HA SER A 54 -0.595 2.555 18.112 1.00 0.00 H new ATOM 0 HB2 SER A 54 -3.302 3.223 16.854 1.00 0.00 H new ATOM 0 HB3 SER A 54 -2.519 1.655 16.844 1.00 0.00 H new ATOM 0 HG SER A 54 -4.149 2.589 18.691 1.00 0.00 H new ATOM 876 N ARG A 55 0.334 4.524 16.298 1.00 0.00 N ATOM 877 CA ARG A 55 1.077 4.964 15.113 1.00 0.00 C ATOM 878 C ARG A 55 1.827 3.817 14.423 1.00 0.00 C ATOM 879 O ARG A 55 2.396 4.016 13.350 1.00 0.00 O ATOM 880 CB ARG A 55 2.035 6.080 15.554 1.00 0.00 C ATOM 881 CG ARG A 55 2.781 6.728 14.385 1.00 0.00 C ATOM 882 CD ARG A 55 3.619 7.900 14.894 1.00 0.00 C ATOM 883 NE ARG A 55 4.417 8.501 13.813 1.00 0.00 N ATOM 884 CZ ARG A 55 5.261 9.523 13.989 1.00 0.00 C ATOM 885 NH1 ARG A 55 5.434 10.064 15.192 1.00 0.00 N ATOM 886 NH2 ARG A 55 5.935 10.011 12.955 1.00 0.00 N ATOM 0 H ARG A 55 0.630 4.995 17.153 1.00 0.00 H new ATOM 0 HA ARG A 55 0.376 5.335 14.366 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.471 6.846 16.086 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.760 5.671 16.258 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.423 5.993 13.899 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.070 7.075 13.635 1.00 0.00 H new ATOM 0 HD2 ARG A 55 2.964 8.656 15.328 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.281 7.557 15.689 1.00 0.00 H new ATOM 0 HE ARG A 55 4.320 8.115 12.874 1.00 0.00 H new ATOM 0 HH11 ARG A 55 4.920 9.699 15.994 1.00 0.00 H new ATOM 0 HH12 ARG A 55 6.081 10.843 15.312 1.00 0.00 H new ATOM 0 HH21 ARG A 55 5.809 9.606 12.027 1.00 0.00 H new ATOM 0 HH22 ARG A 55 6.579 10.791 13.088 1.00 0.00 H new ATOM 900 N GLY A 56 1.842 2.624 15.020 1.00 0.00 N ATOM 901 CA GLY A 56 2.580 1.475 14.511 1.00 0.00 C ATOM 902 C GLY A 56 2.029 0.889 13.208 1.00 0.00 C ATOM 903 O GLY A 56 2.531 -0.139 12.752 1.00 0.00 O ATOM 0 H GLY A 56 1.334 2.430 15.883 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.618 1.768 14.352 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.582 0.695 15.272 1.00 0.00 H new ATOM 907 N PHE A 57 1.013 1.505 12.592 1.00 0.00 N ATOM 908 CA PHE A 57 0.476 1.005 11.338 1.00 0.00 C ATOM 909 C PHE A 57 -0.284 2.091 10.578 1.00 0.00 C ATOM 910 O PHE A 57 -0.446 3.208 11.066 1.00 0.00 O ATOM 911 CB PHE A 57 -0.434 -0.188 11.617 1.00 0.00 C ATOM 912 CG PHE A 57 -1.775 0.234 12.143 1.00 0.00 C ATOM 913 CD1 PHE A 57 -1.936 0.558 13.496 1.00 0.00 C ATOM 914 CD2 PHE A 57 -2.860 0.319 11.266 1.00 0.00 C ATOM 915 CE1 PHE A 57 -3.189 0.975 13.963 1.00 0.00 C ATOM 916 CE2 PHE A 57 -4.105 0.740 11.731 1.00 0.00 C ATOM 917 CZ PHE A 57 -4.273 1.066 13.083 1.00 0.00 C ATOM 0 H PHE A 57 0.554 2.345 12.945 1.00 0.00 H new ATOM 0 HA PHE A 57 1.308 0.691 10.708 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.569 -0.762 10.700 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.046 -0.848 12.339 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.099 0.487 14.175 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.734 0.058 10.226 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.319 1.227 15.005 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.939 0.815 11.049 1.00 0.00 H new ATOM 0 HZ PHE A 57 -5.238 1.387 13.446 1.00 0.00 H new ATOM 927 N ALA A 58 -0.751 1.743 9.375 1.00 0.00 N ATOM 928 CA ALA A 58 -1.461 2.651 8.485 1.00 0.00 C ATOM 929 C ALA A 58 -2.436 1.887 7.597 1.00 0.00 C ATOM 930 O ALA A 58 -2.641 0.685 7.762 1.00 0.00 O ATOM 931 CB ALA A 58 -0.455 3.411 7.613 1.00 0.00 C ATOM 0 H ALA A 58 -0.641 0.805 8.991 1.00 0.00 H new ATOM 0 HA ALA A 58 -2.027 3.358 9.092 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.989 4.090 6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.219 3.983 8.250 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.122 2.701 7.020 1.00 0.00 H new ATOM 937 N PHE A 59 -3.036 2.607 6.650 1.00 0.00 N ATOM 938 CA PHE A 59 -4.002 2.097 5.693 1.00 0.00 C ATOM 939 C PHE A 59 -3.875 2.893 4.390 1.00 0.00 C ATOM 940 O PHE A 59 -4.827 3.540 3.955 1.00 0.00 O ATOM 941 CB PHE A 59 -5.391 2.222 6.316 1.00 0.00 C ATOM 942 CG PHE A 59 -6.447 1.321 5.723 1.00 0.00 C ATOM 943 CD1 PHE A 59 -6.392 0.901 4.386 1.00 0.00 C ATOM 944 CD2 PHE A 59 -7.498 0.901 6.544 1.00 0.00 C ATOM 945 CE1 PHE A 59 -7.382 0.048 3.878 1.00 0.00 C ATOM 946 CE2 PHE A 59 -8.489 0.057 6.035 1.00 0.00 C ATOM 947 CZ PHE A 59 -8.428 -0.380 4.703 1.00 0.00 C ATOM 0 H PHE A 59 -2.851 3.603 6.528 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.824 1.048 5.455 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.313 2.010 7.382 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.723 3.256 6.220 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.587 1.235 3.748 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.544 1.229 7.572 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.337 -0.279 2.850 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -9.304 -0.260 6.669 1.00 0.00 H new ATOM 0 HZ PHE A 59 -9.186 -1.045 4.316 1.00 0.00 H new ATOM 957 N VAL A 60 -2.699 2.860 3.752 1.00 0.00 N ATOM 958 CA VAL A 60 -2.584 3.453 2.417 1.00 0.00 C ATOM 959 C VAL A 60 -3.338 2.540 1.469 1.00 0.00 C ATOM 960 O VAL A 60 -3.356 1.334 1.698 1.00 0.00 O ATOM 961 CB VAL A 60 -1.124 3.568 1.959 1.00 0.00 C ATOM 962 CG1 VAL A 60 -1.019 4.315 0.633 1.00 0.00 C ATOM 963 CG2 VAL A 60 -0.290 4.307 3.000 1.00 0.00 C ATOM 0 H VAL A 60 -1.844 2.445 4.122 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.992 4.464 2.430 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.745 2.554 1.833 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.027 4.381 0.334 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.582 3.780 -0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.427 5.319 0.748 1.00 0.00 H new ATOM 0 HG21 VAL A 60 0.742 4.378 2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.694 5.309 3.145 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.321 3.763 3.944 1.00 0.00 H new ATOM 973 N ARG A 61 -3.956 3.079 0.413 1.00 0.00 N ATOM 974 CA ARG A 61 -4.723 2.251 -0.505 1.00 0.00 C ATOM 975 C ARG A 61 -4.549 2.682 -1.955 1.00 0.00 C ATOM 976 O ARG A 61 -4.443 3.870 -2.267 1.00 0.00 O ATOM 977 CB ARG A 61 -6.198 2.238 -0.079 1.00 0.00 C ATOM 978 CG ARG A 61 -7.130 1.925 -1.252 1.00 0.00 C ATOM 979 CD ARG A 61 -8.598 1.832 -0.838 1.00 0.00 C ATOM 980 NE ARG A 61 -9.035 3.022 -0.092 1.00 0.00 N ATOM 981 CZ ARG A 61 -9.219 3.041 1.231 1.00 0.00 C ATOM 982 NH1 ARG A 61 -8.974 1.956 1.960 1.00 0.00 N ATOM 983 NH2 ARG A 61 -9.652 4.142 1.835 1.00 0.00 N ATOM 0 H ARG A 61 -3.938 4.072 0.180 1.00 0.00 H new ATOM 0 HA ARG A 61 -4.338 1.233 -0.452 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.342 1.496 0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.462 3.207 0.345 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -7.021 2.698 -2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.826 0.983 -1.709 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.219 1.712 -1.726 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.746 0.944 -0.224 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.207 3.881 -0.614 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.644 1.103 1.509 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.117 1.977 2.970 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.846 4.981 1.288 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.790 4.149 2.846 1.00 0.00 H new ATOM 997 N PHE A 62 -4.532 1.679 -2.837 1.00 0.00 N ATOM 998 CA PHE A 62 -4.564 1.879 -4.281 1.00 0.00 C ATOM 999 C PHE A 62 -5.917 1.439 -4.818 1.00 0.00 C ATOM 1000 O PHE A 62 -6.630 0.697 -4.143 1.00 0.00 O ATOM 1001 CB PHE A 62 -3.456 1.075 -4.958 1.00 0.00 C ATOM 1002 CG PHE A 62 -2.061 1.506 -4.566 1.00 0.00 C ATOM 1003 CD1 PHE A 62 -1.582 1.265 -3.270 1.00 0.00 C ATOM 1004 CD2 PHE A 62 -1.252 2.154 -5.509 1.00 0.00 C ATOM 1005 CE1 PHE A 62 -0.291 1.671 -2.913 1.00 0.00 C ATOM 1006 CE2 PHE A 62 0.043 2.547 -5.159 1.00 0.00 C ATOM 1007 CZ PHE A 62 0.524 2.301 -3.866 1.00 0.00 C ATOM 0 H PHE A 62 -4.495 0.697 -2.562 1.00 0.00 H new ATOM 0 HA PHE A 62 -4.406 2.936 -4.496 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.583 0.021 -4.712 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -3.563 1.165 -6.039 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -2.210 0.766 -2.547 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -1.628 2.349 -6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.075 1.501 -1.911 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.673 3.040 -5.885 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.528 2.598 -3.601 1.00 0.00 H new ATOM 1017 N HIS A 63 -6.261 1.892 -6.028 1.00 0.00 N ATOM 1018 CA HIS A 63 -7.566 1.650 -6.629 1.00 0.00 C ATOM 1019 C HIS A 63 -7.459 1.024 -8.019 1.00 0.00 C ATOM 1020 O HIS A 63 -8.439 1.026 -8.763 1.00 0.00 O ATOM 1021 CB HIS A 63 -8.342 2.967 -6.686 1.00 0.00 C ATOM 1022 CG HIS A 63 -8.570 3.585 -5.335 1.00 0.00 C ATOM 1023 ND1 HIS A 63 -9.734 3.455 -4.576 1.00 0.00 N ATOM 1024 CD2 HIS A 63 -7.673 4.359 -4.655 1.00 0.00 C ATOM 1025 CE1 HIS A 63 -9.507 4.161 -3.457 1.00 0.00 C ATOM 1026 NE2 HIS A 63 -8.282 4.718 -3.478 1.00 0.00 N ATOM 0 H HIS A 63 -5.634 2.440 -6.617 1.00 0.00 H new ATOM 0 HA HIS A 63 -8.100 0.931 -6.007 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.798 3.673 -7.313 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -9.306 2.792 -7.164 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -6.680 4.634 -4.979 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -10.214 4.268 -2.647 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -7.877 5.304 -2.748 1.00 0.00 H new ATOM 1034 N ASP A 64 -6.292 0.491 -8.383 1.00 0.00 N ATOM 1035 CA ASP A 64 -6.129 -0.200 -9.656 1.00 0.00 C ATOM 1036 C ASP A 64 -5.254 -1.439 -9.476 1.00 0.00 C ATOM 1037 O ASP A 64 -4.288 -1.418 -8.712 1.00 0.00 O ATOM 1038 CB ASP A 64 -5.547 0.750 -10.699 1.00 0.00 C ATOM 1039 CG ASP A 64 -5.433 0.084 -12.070 1.00 0.00 C ATOM 1040 OD1 ASP A 64 -4.520 -0.754 -12.227 1.00 0.00 O ATOM 1041 OD2 ASP A 64 -6.256 0.413 -12.953 1.00 0.00 O ATOM 0 H ASP A 64 -5.448 0.526 -7.812 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.105 -0.531 -10.012 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.177 1.636 -10.776 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.562 1.087 -10.375 1.00 0.00 H new ATOM 1046 N LYS A 65 -5.604 -2.519 -10.185 1.00 0.00 N ATOM 1047 CA LYS A 65 -4.964 -3.819 -10.043 1.00 0.00 C ATOM 1048 C LYS A 65 -3.471 -3.790 -10.357 1.00 0.00 C ATOM 1049 O LYS A 65 -2.702 -4.475 -9.687 1.00 0.00 O ATOM 1050 CB LYS A 65 -5.654 -4.807 -10.985 1.00 0.00 C ATOM 1051 CG LYS A 65 -6.984 -5.319 -10.419 1.00 0.00 C ATOM 1052 CD LYS A 65 -6.783 -6.189 -9.174 1.00 0.00 C ATOM 1053 CE LYS A 65 -5.797 -7.321 -9.463 1.00 0.00 C ATOM 1054 NZ LYS A 65 -5.633 -8.210 -8.299 1.00 0.00 N ATOM 0 H LYS A 65 -6.350 -2.508 -10.881 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.064 -4.121 -9.000 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.832 -4.325 -11.946 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -4.991 -5.652 -11.170 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.622 -4.471 -10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -7.505 -5.895 -11.183 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.412 -5.577 -8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.739 -6.604 -8.856 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.148 -7.900 -10.317 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -4.830 -6.900 -9.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.744 -8.741 -8.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.609 -7.641 -7.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.431 -8.876 -8.255 1.00 0.00 H new ATOM 1068 N ARG A 66 -3.034 -3.020 -11.354 1.00 0.00 N ATOM 1069 CA ARG A 66 -1.637 -3.083 -11.768 1.00 0.00 C ATOM 1070 C ARG A 66 -0.743 -2.393 -10.745 1.00 0.00 C ATOM 1071 O ARG A 66 0.364 -2.852 -10.477 1.00 0.00 O ATOM 1072 CB ARG A 66 -1.502 -2.483 -13.174 1.00 0.00 C ATOM 1073 CG ARG A 66 -1.360 -0.957 -13.175 1.00 0.00 C ATOM 1074 CD ARG A 66 -1.750 -0.371 -14.527 1.00 0.00 C ATOM 1075 NE ARG A 66 -3.211 -0.313 -14.643 1.00 0.00 N ATOM 1076 CZ ARG A 66 -3.882 -0.046 -15.765 1.00 0.00 C ATOM 1077 NH1 ARG A 66 -3.242 0.150 -16.917 1.00 0.00 N ATOM 1078 NH2 ARG A 66 -5.209 0.026 -15.735 1.00 0.00 N ATOM 0 H ARG A 66 -3.612 -2.362 -11.877 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.306 -4.120 -11.814 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.634 -2.921 -13.666 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.376 -2.759 -13.764 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.989 -0.529 -12.395 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.331 -0.684 -12.940 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.328 0.628 -14.636 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.337 -0.981 -15.330 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.757 -0.491 -13.800 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -2.224 0.097 -16.950 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -3.770 0.353 -17.766 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -5.708 -0.122 -14.858 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -5.728 0.230 -16.589 1.00 0.00 H new ATOM 1092 N ASP A 67 -1.224 -1.288 -10.170 1.00 0.00 N ATOM 1093 CA ASP A 67 -0.470 -0.544 -9.177 1.00 0.00 C ATOM 1094 C ASP A 67 -0.528 -1.284 -7.841 1.00 0.00 C ATOM 1095 O ASP A 67 0.414 -1.225 -7.056 1.00 0.00 O ATOM 1096 CB ASP A 67 -1.076 0.852 -9.021 1.00 0.00 C ATOM 1097 CG ASP A 67 -1.044 1.664 -10.315 1.00 0.00 C ATOM 1098 OD1 ASP A 67 -0.176 1.386 -11.172 1.00 0.00 O ATOM 1099 OD2 ASP A 67 -1.898 2.572 -10.434 1.00 0.00 O ATOM 0 H ASP A 67 -2.140 -0.892 -10.382 1.00 0.00 H new ATOM 0 HA ASP A 67 0.568 -0.452 -9.495 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.108 0.759 -8.682 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -0.534 1.393 -8.245 1.00 0.00 H new ATOM 1104 N ALA A 68 -1.641 -1.980 -7.595 1.00 0.00 N ATOM 1105 CA ALA A 68 -1.851 -2.718 -6.366 1.00 0.00 C ATOM 1106 C ALA A 68 -0.968 -3.960 -6.301 1.00 0.00 C ATOM 1107 O ALA A 68 -0.384 -4.252 -5.259 1.00 0.00 O ATOM 1108 CB ALA A 68 -3.323 -3.126 -6.311 1.00 0.00 C ATOM 0 H ALA A 68 -2.420 -2.042 -8.251 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.587 -2.087 -5.517 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.512 -3.685 -5.394 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.949 -2.234 -6.327 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.560 -3.751 -7.172 1.00 0.00 H new ATOM 1114 N GLU A 69 -0.860 -4.704 -7.408 1.00 0.00 N ATOM 1115 CA GLU A 69 -0.089 -5.937 -7.405 1.00 0.00 C ATOM 1116 C GLU A 69 1.411 -5.665 -7.342 1.00 0.00 C ATOM 1117 O GLU A 69 2.143 -6.461 -6.759 1.00 0.00 O ATOM 1118 CB GLU A 69 -0.433 -6.777 -8.634 1.00 0.00 C ATOM 1119 CG GLU A 69 -1.861 -7.311 -8.506 1.00 0.00 C ATOM 1120 CD GLU A 69 -2.229 -8.249 -9.653 1.00 0.00 C ATOM 1121 OE1 GLU A 69 -1.618 -8.119 -10.737 1.00 0.00 O ATOM 1122 OE2 GLU A 69 -3.128 -9.096 -9.432 1.00 0.00 O ATOM 0 H GLU A 69 -1.293 -4.472 -8.302 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.356 -6.496 -6.508 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -0.339 -6.174 -9.537 1.00 0.00 H new ATOM 0 HB3 GLU A 69 0.269 -7.605 -8.729 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.966 -7.839 -7.558 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.560 -6.475 -8.484 1.00 0.00 H new ATOM 1129 N ASP A 70 1.881 -4.560 -7.922 1.00 0.00 N ATOM 1130 CA ASP A 70 3.293 -4.221 -7.817 1.00 0.00 C ATOM 1131 C ASP A 70 3.618 -3.692 -6.421 1.00 0.00 C ATOM 1132 O ASP A 70 4.680 -3.987 -5.871 1.00 0.00 O ATOM 1133 CB ASP A 70 3.640 -3.150 -8.844 1.00 0.00 C ATOM 1134 CG ASP A 70 3.679 -3.680 -10.275 1.00 0.00 C ATOM 1135 OD1 ASP A 70 3.807 -4.914 -10.448 1.00 0.00 O ATOM 1136 OD2 ASP A 70 3.581 -2.842 -11.195 1.00 0.00 O ATOM 0 H ASP A 70 1.316 -3.900 -8.457 1.00 0.00 H new ATOM 0 HA ASP A 70 3.878 -5.122 -8.002 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.908 -2.345 -8.781 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.610 -2.719 -8.596 1.00 0.00 H new ATOM 1141 N ALA A 71 2.699 -2.905 -5.847 1.00 0.00 N ATOM 1142 CA ALA A 71 2.913 -2.295 -4.550 1.00 0.00 C ATOM 1143 C ALA A 71 3.146 -3.357 -3.485 1.00 0.00 C ATOM 1144 O ALA A 71 3.928 -3.129 -2.571 1.00 0.00 O ATOM 1145 CB ALA A 71 1.713 -1.425 -4.194 1.00 0.00 C ATOM 0 H ALA A 71 1.799 -2.681 -6.272 1.00 0.00 H new ATOM 0 HA ALA A 71 3.805 -1.670 -4.594 1.00 0.00 H new ATOM 0 HB1 ALA A 71 1.873 -0.966 -3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.593 -0.646 -4.947 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.814 -2.041 -4.162 1.00 0.00 H new ATOM 1151 N MET A 72 2.490 -4.518 -3.581 1.00 0.00 N ATOM 1152 CA MET A 72 2.693 -5.566 -2.584 1.00 0.00 C ATOM 1153 C MET A 72 3.856 -6.466 -2.985 1.00 0.00 C ATOM 1154 O MET A 72 4.528 -7.022 -2.122 1.00 0.00 O ATOM 1155 CB MET A 72 1.408 -6.376 -2.387 1.00 0.00 C ATOM 1156 CG MET A 72 1.103 -7.199 -3.626 1.00 0.00 C ATOM 1157 SD MET A 72 -0.467 -8.097 -3.576 1.00 0.00 S ATOM 1158 CE MET A 72 -0.261 -9.034 -5.115 1.00 0.00 C ATOM 0 H MET A 72 1.829 -4.750 -4.322 1.00 0.00 H new ATOM 0 HA MET A 72 2.943 -5.098 -1.632 1.00 0.00 H new ATOM 0 HB2 MET A 72 1.514 -7.033 -1.524 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.576 -5.704 -2.176 1.00 0.00 H new ATOM 0 HG2 MET A 72 1.099 -6.537 -4.492 1.00 0.00 H new ATOM 0 HG3 MET A 72 1.910 -7.916 -3.776 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.211 -9.072 -5.648 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.486 -8.546 -5.741 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.066 -10.048 -4.883 1.00 0.00 H new ATOM 1168 N ASP A 73 4.102 -6.622 -4.289 1.00 0.00 N ATOM 1169 CA ASP A 73 5.205 -7.443 -4.766 1.00 0.00 C ATOM 1170 C ASP A 73 6.559 -6.816 -4.415 1.00 0.00 C ATOM 1171 O ASP A 73 7.596 -7.461 -4.578 1.00 0.00 O ATOM 1172 CB ASP A 73 5.071 -7.627 -6.278 1.00 0.00 C ATOM 1173 CG ASP A 73 6.142 -8.555 -6.844 1.00 0.00 C ATOM 1174 OD1 ASP A 73 6.130 -9.747 -6.471 1.00 0.00 O ATOM 1175 OD2 ASP A 73 6.968 -8.062 -7.646 1.00 0.00 O ATOM 0 H ASP A 73 3.549 -6.188 -5.028 1.00 0.00 H new ATOM 0 HA ASP A 73 5.162 -8.415 -4.274 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.085 -8.031 -6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.139 -6.656 -6.768 1.00 0.00 H new ATOM 1180 N ALA A 74 6.562 -5.568 -3.930 1.00 0.00 N ATOM 1181 CA ALA A 74 7.800 -4.878 -3.595 1.00 0.00 C ATOM 1182 C ALA A 74 7.779 -4.199 -2.220 1.00 0.00 C ATOM 1183 O ALA A 74 8.813 -3.691 -1.782 1.00 0.00 O ATOM 1184 CB ALA A 74 8.048 -3.844 -4.685 1.00 0.00 C ATOM 0 H ALA A 74 5.717 -5.021 -3.763 1.00 0.00 H new ATOM 0 HA ALA A 74 8.599 -5.617 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.970 -3.303 -4.471 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.137 -4.345 -5.649 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.215 -3.142 -4.717 1.00 0.00 H new ATOM 1190 N MET A 75 6.636 -4.182 -1.530 1.00 0.00 N ATOM 1191 CA MET A 75 6.563 -3.664 -0.162 1.00 0.00 C ATOM 1192 C MET A 75 6.072 -4.710 0.837 1.00 0.00 C ATOM 1193 O MET A 75 6.358 -4.579 2.026 1.00 0.00 O ATOM 1194 CB MET A 75 5.614 -2.468 -0.086 1.00 0.00 C ATOM 1195 CG MET A 75 6.100 -1.207 -0.801 1.00 0.00 C ATOM 1196 SD MET A 75 7.066 -0.103 0.267 1.00 0.00 S ATOM 1197 CE MET A 75 6.887 1.443 -0.661 1.00 0.00 C ATOM 0 H MET A 75 5.747 -4.522 -1.897 1.00 0.00 H new ATOM 0 HA MET A 75 7.580 -3.372 0.100 1.00 0.00 H new ATOM 0 HB2 MET A 75 4.653 -2.759 -0.510 1.00 0.00 H new ATOM 0 HB3 MET A 75 5.440 -2.228 0.963 1.00 0.00 H new ATOM 0 HG2 MET A 75 6.708 -1.495 -1.658 1.00 0.00 H new ATOM 0 HG3 MET A 75 5.239 -0.663 -1.190 1.00 0.00 H new ATOM 0 HE1 MET A 75 6.815 2.279 0.035 1.00 0.00 H new ATOM 0 HE2 MET A 75 7.754 1.582 -1.307 1.00 0.00 H new ATOM 0 HE3 MET A 75 5.984 1.399 -1.270 1.00 0.00 H new ATOM 1207 N ASP A 76 5.344 -5.747 0.408 1.00 0.00 N ATOM 1208 CA ASP A 76 4.918 -6.763 1.363 1.00 0.00 C ATOM 1209 C ASP A 76 6.135 -7.538 1.866 1.00 0.00 C ATOM 1210 O ASP A 76 6.909 -8.079 1.077 1.00 0.00 O ATOM 1211 CB ASP A 76 3.902 -7.719 0.735 1.00 0.00 C ATOM 1212 CG ASP A 76 3.397 -8.728 1.760 1.00 0.00 C ATOM 1213 OD1 ASP A 76 3.108 -8.304 2.902 1.00 0.00 O ATOM 1214 OD2 ASP A 76 3.302 -9.920 1.396 1.00 0.00 O ATOM 0 H ASP A 76 5.049 -5.899 -0.557 1.00 0.00 H new ATOM 0 HA ASP A 76 4.433 -6.266 2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.062 -7.151 0.334 1.00 0.00 H new ATOM 0 HB3 ASP A 76 4.361 -8.244 -0.103 1.00 0.00 H new ATOM 1219 N GLY A 77 6.297 -7.589 3.191 1.00 0.00 N ATOM 1220 CA GLY A 77 7.398 -8.301 3.830 1.00 0.00 C ATOM 1221 C GLY A 77 8.692 -7.493 3.823 1.00 0.00 C ATOM 1222 O GLY A 77 9.720 -7.980 4.298 1.00 0.00 O ATOM 0 H GLY A 77 5.664 -7.135 3.850 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.126 -8.538 4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.561 -9.249 3.317 1.00 0.00 H new ATOM 1226 N ALA A 78 8.657 -6.268 3.288 1.00 0.00 N ATOM 1227 CA ALA A 78 9.813 -5.385 3.240 1.00 0.00 C ATOM 1228 C ALA A 78 10.190 -4.878 4.635 1.00 0.00 C ATOM 1229 O ALA A 78 9.613 -5.297 5.638 1.00 0.00 O ATOM 1230 CB ALA A 78 9.504 -4.223 2.294 1.00 0.00 C ATOM 0 H ALA A 78 7.816 -5.864 2.875 1.00 0.00 H new ATOM 0 HA ALA A 78 10.673 -5.940 2.866 1.00 0.00 H new ATOM 0 HB1 ALA A 78 10.362 -3.553 2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 78 9.293 -4.611 1.297 1.00 0.00 H new ATOM 0 HB3 ALA A 78 8.636 -3.676 2.661 1.00 0.00 H new ATOM 1236 N VAL A 79 11.168 -3.971 4.692 1.00 0.00 N ATOM 1237 CA VAL A 79 11.681 -3.424 5.946 1.00 0.00 C ATOM 1238 C VAL A 79 11.840 -1.914 5.807 1.00 0.00 C ATOM 1239 O VAL A 79 12.127 -1.420 4.715 1.00 0.00 O ATOM 1240 CB VAL A 79 13.022 -4.087 6.280 1.00 0.00 C ATOM 1241 CG1 VAL A 79 13.616 -3.538 7.573 1.00 0.00 C ATOM 1242 CG2 VAL A 79 12.857 -5.601 6.418 1.00 0.00 C ATOM 0 H VAL A 79 11.628 -3.594 3.863 1.00 0.00 H new ATOM 0 HA VAL A 79 10.983 -3.628 6.758 1.00 0.00 H new ATOM 0 HB VAL A 79 13.700 -3.861 5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.566 -4.033 7.776 1.00 0.00 H new ATOM 0 HG12 VAL A 79 13.780 -2.465 7.471 1.00 0.00 H new ATOM 0 HG13 VAL A 79 12.927 -3.723 8.397 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.821 -6.052 6.655 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.148 -5.818 7.217 1.00 0.00 H new ATOM 0 HG23 VAL A 79 12.484 -6.013 5.480 1.00 0.00 H new ATOM 1252 N LEU A 80 11.657 -1.185 6.911 1.00 0.00 N ATOM 1253 CA LEU A 80 11.774 0.268 6.934 1.00 0.00 C ATOM 1254 C LEU A 80 13.034 0.674 7.699 1.00 0.00 C ATOM 1255 O LEU A 80 13.859 1.423 7.180 1.00 0.00 O ATOM 1256 CB LEU A 80 10.509 0.828 7.601 1.00 0.00 C ATOM 1257 CG LEU A 80 10.289 2.342 7.486 1.00 0.00 C ATOM 1258 CD1 LEU A 80 11.327 3.168 8.244 1.00 0.00 C ATOM 1259 CD2 LEU A 80 10.246 2.790 6.029 1.00 0.00 C ATOM 0 H LEU A 80 11.422 -1.592 7.816 1.00 0.00 H new ATOM 0 HA LEU A 80 11.862 0.670 5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.644 0.324 7.170 1.00 0.00 H new ATOM 0 HB3 LEU A 80 10.536 0.566 8.659 1.00 0.00 H new ATOM 0 HG LEU A 80 9.322 2.527 7.954 1.00 0.00 H new ATOM 0 HD11 LEU A 80 11.110 4.229 8.119 1.00 0.00 H new ATOM 0 HD12 LEU A 80 11.292 2.913 9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 80 12.321 2.952 7.852 1.00 0.00 H new ATOM 0 HD21 LEU A 80 10.089 3.868 5.984 1.00 0.00 H new ATOM 0 HD22 LEU A 80 11.190 2.540 5.544 1.00 0.00 H new ATOM 0 HD23 LEU A 80 9.429 2.283 5.516 1.00 0.00 H new ATOM 1271 N ASP A 81 13.180 0.175 8.932 1.00 0.00 N ATOM 1272 CA ASP A 81 14.336 0.473 9.765 1.00 0.00 C ATOM 1273 C ASP A 81 14.810 -0.746 10.563 1.00 0.00 C ATOM 1274 O ASP A 81 15.822 -0.669 11.260 1.00 0.00 O ATOM 1275 CB ASP A 81 13.974 1.636 10.696 1.00 0.00 C ATOM 1276 CG ASP A 81 15.182 2.137 11.490 1.00 0.00 C ATOM 1277 OD1 ASP A 81 16.165 2.551 10.836 1.00 0.00 O ATOM 1278 OD2 ASP A 81 15.110 2.102 12.739 1.00 0.00 O ATOM 0 H ASP A 81 12.499 -0.444 9.373 1.00 0.00 H new ATOM 0 HA ASP A 81 15.170 0.753 9.122 1.00 0.00 H new ATOM 0 HB2 ASP A 81 13.563 2.456 10.107 1.00 0.00 H new ATOM 0 HB3 ASP A 81 13.194 1.317 11.387 1.00 0.00 H new ATOM 1283 N GLY A 82 14.094 -1.876 10.469 1.00 0.00 N ATOM 1284 CA GLY A 82 14.486 -3.107 11.145 1.00 0.00 C ATOM 1285 C GLY A 82 13.298 -4.016 11.448 1.00 0.00 C ATOM 1286 O GLY A 82 13.488 -5.184 11.784 1.00 0.00 O ATOM 0 H GLY A 82 13.235 -1.956 9.925 1.00 0.00 H new ATOM 0 HA2 GLY A 82 15.202 -3.646 10.524 1.00 0.00 H new ATOM 0 HA3 GLY A 82 14.995 -2.859 12.076 1.00 0.00 H new ATOM 1290 N ARG A 83 12.071 -3.494 11.333 1.00 0.00 N ATOM 1291 CA ARG A 83 10.855 -4.270 11.537 1.00 0.00 C ATOM 1292 C ARG A 83 10.386 -4.851 10.210 1.00 0.00 C ATOM 1293 O ARG A 83 11.178 -5.031 9.288 1.00 0.00 O ATOM 1294 CB ARG A 83 9.777 -3.409 12.194 1.00 0.00 C ATOM 1295 CG ARG A 83 9.373 -2.212 11.329 1.00 0.00 C ATOM 1296 CD ARG A 83 7.987 -1.720 11.733 1.00 0.00 C ATOM 1297 NE ARG A 83 7.877 -1.499 13.181 1.00 0.00 N ATOM 1298 CZ ARG A 83 6.745 -1.670 13.870 1.00 0.00 C ATOM 1299 NH1 ARG A 83 5.611 -2.010 13.257 1.00 0.00 N ATOM 1300 NH2 ARG A 83 6.738 -1.500 15.189 1.00 0.00 N ATOM 0 H ARG A 83 11.899 -2.517 11.095 1.00 0.00 H new ATOM 0 HA ARG A 83 11.063 -5.100 12.212 1.00 0.00 H new ATOM 0 HB2 ARG A 83 8.898 -4.022 12.393 1.00 0.00 H new ATOM 0 HB3 ARG A 83 10.140 -3.051 13.157 1.00 0.00 H new ATOM 0 HG2 ARG A 83 10.101 -1.408 11.443 1.00 0.00 H new ATOM 0 HG3 ARG A 83 9.374 -2.496 10.277 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.766 -0.791 11.208 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.239 -2.449 11.421 1.00 0.00 H new ATOM 0 HE ARG A 83 8.710 -1.199 13.688 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.598 -2.144 12.246 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.756 -2.136 13.799 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.596 -1.239 15.674 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.874 -1.630 15.715 1.00 0.00 H new ATOM 1314 N GLU A 84 9.091 -5.139 10.120 1.00 0.00 N ATOM 1315 CA GLU A 84 8.475 -5.679 8.924 1.00 0.00 C ATOM 1316 C GLU A 84 7.472 -4.679 8.368 1.00 0.00 C ATOM 1317 O GLU A 84 7.121 -3.710 9.035 1.00 0.00 O ATOM 1318 CB GLU A 84 7.769 -6.996 9.260 1.00 0.00 C ATOM 1319 CG GLU A 84 8.801 -8.094 9.496 1.00 0.00 C ATOM 1320 CD GLU A 84 8.126 -9.441 9.737 1.00 0.00 C ATOM 1321 OE1 GLU A 84 7.814 -10.117 8.731 1.00 0.00 O ATOM 1322 OE2 GLU A 84 7.929 -9.783 10.927 1.00 0.00 O ATOM 0 H GLU A 84 8.436 -5.000 10.889 1.00 0.00 H new ATOM 0 HA GLU A 84 9.243 -5.867 8.174 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.150 -6.870 10.148 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.103 -7.280 8.445 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.464 -8.165 8.634 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.421 -7.836 10.354 1.00 0.00 H new ATOM 1329 N LEU A 85 7.011 -4.926 7.143 1.00 0.00 N ATOM 1330 CA LEU A 85 6.028 -4.096 6.468 1.00 0.00 C ATOM 1331 C LEU A 85 5.007 -5.020 5.815 1.00 0.00 C ATOM 1332 O LEU A 85 5.310 -6.180 5.530 1.00 0.00 O ATOM 1333 CB LEU A 85 6.725 -3.207 5.432 1.00 0.00 C ATOM 1334 CG LEU A 85 7.696 -2.205 6.071 1.00 0.00 C ATOM 1335 CD1 LEU A 85 8.377 -1.409 4.963 1.00 0.00 C ATOM 1336 CD2 LEU A 85 6.977 -1.231 7.000 1.00 0.00 C ATOM 0 H LEU A 85 7.319 -5.723 6.586 1.00 0.00 H new ATOM 0 HA LEU A 85 5.520 -3.438 7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.269 -3.835 4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.973 -2.664 4.860 1.00 0.00 H new ATOM 0 HG LEU A 85 8.422 -2.765 6.661 1.00 0.00 H new ATOM 0 HD11 LEU A 85 9.070 -0.692 5.403 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.924 -2.089 4.310 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.624 -0.876 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.700 -0.539 7.432 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.232 -0.671 6.434 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.485 -1.786 7.798 1.00 0.00 H new ATOM 1348 N ARG A 86 3.794 -4.514 5.573 1.00 0.00 N ATOM 1349 CA ARG A 86 2.700 -5.330 5.067 1.00 0.00 C ATOM 1350 C ARG A 86 1.872 -4.557 4.059 1.00 0.00 C ATOM 1351 O ARG A 86 1.681 -3.350 4.191 1.00 0.00 O ATOM 1352 CB ARG A 86 1.820 -5.767 6.245 1.00 0.00 C ATOM 1353 CG ARG A 86 2.406 -6.967 6.998 1.00 0.00 C ATOM 1354 CD ARG A 86 2.559 -8.169 6.063 1.00 0.00 C ATOM 1355 NE ARG A 86 3.026 -9.361 6.774 1.00 0.00 N ATOM 1356 CZ ARG A 86 3.549 -10.422 6.150 1.00 0.00 C ATOM 1357 NH1 ARG A 86 3.674 -10.444 4.828 1.00 0.00 N ATOM 1358 NH2 ARG A 86 3.949 -11.475 6.856 1.00 0.00 N ATOM 0 H ARG A 86 3.550 -3.535 5.723 1.00 0.00 H new ATOM 0 HA ARG A 86 3.110 -6.206 4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.700 -4.932 6.935 1.00 0.00 H new ATOM 0 HB3 ARG A 86 0.826 -6.022 5.878 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.376 -6.701 7.418 1.00 0.00 H new ATOM 0 HG3 ARG A 86 1.758 -7.230 7.834 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.602 -8.382 5.587 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.262 -7.922 5.268 1.00 0.00 H new ATOM 0 HE ARG A 86 2.949 -9.383 7.791 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.369 -9.644 4.274 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.075 -11.261 4.367 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.857 -11.473 7.872 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.348 -12.285 6.382 1.00 0.00 H new ATOM 1372 N VAL A 87 1.383 -5.284 3.051 1.00 0.00 N ATOM 1373 CA VAL A 87 0.577 -4.745 1.969 1.00 0.00 C ATOM 1374 C VAL A 87 -0.309 -5.863 1.431 1.00 0.00 C ATOM 1375 O VAL A 87 0.203 -6.916 1.051 1.00 0.00 O ATOM 1376 CB VAL A 87 1.488 -4.233 0.853 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.640 -3.630 -0.256 1.00 0.00 C ATOM 1378 CG2 VAL A 87 2.450 -3.158 1.351 1.00 0.00 C ATOM 0 H VAL A 87 1.544 -6.288 2.969 1.00 0.00 H new ATOM 0 HA VAL A 87 -0.034 -3.919 2.332 1.00 0.00 H new ATOM 0 HB VAL A 87 2.068 -5.082 0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.289 -3.265 -1.052 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -0.031 -4.390 -0.655 1.00 0.00 H new ATOM 0 HG13 VAL A 87 0.054 -2.802 0.143 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.079 -2.822 0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.882 -2.314 1.741 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.078 -3.569 2.142 1.00 0.00 H new ATOM 1388 N GLN A 88 -1.629 -5.649 1.391 1.00 0.00 N ATOM 1389 CA GLN A 88 -2.561 -6.656 0.898 1.00 0.00 C ATOM 1390 C GLN A 88 -3.927 -6.034 0.619 1.00 0.00 C ATOM 1391 O GLN A 88 -4.208 -4.923 1.058 1.00 0.00 O ATOM 1392 CB GLN A 88 -2.701 -7.801 1.914 1.00 0.00 C ATOM 1393 CG GLN A 88 -3.255 -7.354 3.269 1.00 0.00 C ATOM 1394 CD GLN A 88 -2.231 -6.579 4.092 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -1.087 -7.000 4.232 1.00 0.00 O ATOM 1396 NE2 GLN A 88 -2.636 -5.440 4.641 1.00 0.00 N ATOM 0 H GLN A 88 -2.072 -4.783 1.696 1.00 0.00 H new ATOM 0 HA GLN A 88 -2.165 -7.059 -0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -3.356 -8.567 1.498 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -1.725 -8.263 2.064 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -4.135 -6.731 3.110 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.581 -8.229 3.831 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.595 -5.120 4.504 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.988 -4.885 5.200 1.00 0.00 H new ATOM 1405 N MET A 89 -4.779 -6.752 -0.116 1.00 0.00 N ATOM 1406 CA MET A 89 -6.096 -6.260 -0.495 1.00 0.00 C ATOM 1407 C MET A 89 -6.967 -6.019 0.740 1.00 0.00 C ATOM 1408 O MET A 89 -6.766 -6.647 1.779 1.00 0.00 O ATOM 1409 CB MET A 89 -6.759 -7.257 -1.454 1.00 0.00 C ATOM 1410 CG MET A 89 -5.865 -7.527 -2.662 1.00 0.00 C ATOM 1411 SD MET A 89 -5.495 -6.069 -3.675 1.00 0.00 S ATOM 1412 CE MET A 89 -4.069 -6.694 -4.596 1.00 0.00 C ATOM 0 H MET A 89 -4.572 -7.689 -0.462 1.00 0.00 H new ATOM 0 HA MET A 89 -5.984 -5.303 -1.005 1.00 0.00 H new ATOM 0 HB2 MET A 89 -6.962 -8.191 -0.931 1.00 0.00 H new ATOM 0 HB3 MET A 89 -7.719 -6.863 -1.788 1.00 0.00 H new ATOM 0 HG2 MET A 89 -4.926 -7.957 -2.313 1.00 0.00 H new ATOM 0 HG3 MET A 89 -6.345 -8.277 -3.291 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.182 -6.122 -4.324 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.912 -7.745 -4.354 1.00 0.00 H new ATOM 0 HE3 MET A 89 -4.253 -6.592 -5.665 1.00 0.00 H new ATOM 1422 N ALA A 90 -7.937 -5.106 0.622 1.00 0.00 N ATOM 1423 CA ALA A 90 -8.820 -4.750 1.726 1.00 0.00 C ATOM 1424 C ALA A 90 -9.787 -5.876 2.095 1.00 0.00 C ATOM 1425 O ALA A 90 -9.840 -6.902 1.411 1.00 0.00 O ATOM 1426 CB ALA A 90 -9.599 -3.490 1.347 1.00 0.00 C ATOM 0 H ALA A 90 -8.128 -4.597 -0.241 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.203 -4.570 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.264 -3.213 2.165 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.901 -2.675 1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.188 -3.682 0.450 1.00 0.00 H new ATOM 1432 N ARG A 91 -10.556 -5.686 3.176 1.00 0.00 N ATOM 1433 CA ARG A 91 -11.528 -6.667 3.652 1.00 0.00 C ATOM 1434 C ARG A 91 -12.919 -6.070 3.845 1.00 0.00 C ATOM 1435 O ARG A 91 -13.878 -6.822 4.007 1.00 0.00 O ATOM 1436 CB ARG A 91 -11.060 -7.247 4.988 1.00 0.00 C ATOM 1437 CG ARG A 91 -9.721 -7.970 4.848 1.00 0.00 C ATOM 1438 CD ARG A 91 -9.223 -8.419 6.226 1.00 0.00 C ATOM 1439 NE ARG A 91 -10.136 -9.388 6.841 1.00 0.00 N ATOM 1440 CZ ARG A 91 -10.135 -10.697 6.589 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -9.269 -11.233 5.730 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -11.011 -11.489 7.202 1.00 0.00 N ATOM 0 H ARG A 91 -10.517 -4.840 3.745 1.00 0.00 H new ATOM 0 HA ARG A 91 -11.596 -7.442 2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -10.967 -6.445 5.721 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -11.811 -7.940 5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.831 -8.834 4.193 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -8.988 -7.310 4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -8.232 -8.863 6.128 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -9.121 -7.551 6.877 1.00 0.00 H new ATOM 0 HE ARG A 91 -10.821 -9.035 7.509 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -8.591 -10.639 5.252 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -9.284 -12.237 5.550 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -11.681 -11.094 7.862 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -11.013 -12.491 7.011 1.00 0.00 H new ATOM 1456 N TYR A 92 -13.041 -4.740 3.829 1.00 0.00 N ATOM 1457 CA TYR A 92 -14.315 -4.069 4.065 1.00 0.00 C ATOM 1458 C TYR A 92 -14.370 -2.754 3.297 1.00 0.00 C ATOM 1459 O TYR A 92 -13.343 -2.261 2.826 1.00 0.00 O ATOM 1460 CB TYR A 92 -14.472 -3.771 5.559 1.00 0.00 C ATOM 1461 CG TYR A 92 -14.320 -4.977 6.459 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -15.375 -5.892 6.595 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -13.120 -5.177 7.155 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -15.234 -7.007 7.434 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -12.974 -6.291 7.998 1.00 0.00 C ATOM 1466 CZ TYR A 92 -14.030 -7.208 8.140 1.00 0.00 C ATOM 1467 OH TYR A 92 -13.888 -8.286 8.963 1.00 0.00 O ATOM 0 H TYR A 92 -12.263 -4.105 3.653 1.00 0.00 H new ATOM 0 HA TYR A 92 -15.119 -4.723 3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -13.733 -3.023 5.847 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -15.454 -3.330 5.727 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -16.296 -5.738 6.053 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -12.307 -4.474 7.043 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -16.046 -7.711 7.539 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -12.051 -6.443 8.537 1.00 0.00 H new ATOM 0 HH TYR A 92 -12.997 -8.272 9.370 1.00 0.00 H new ATOM 1477 N GLY A 93 -15.570 -2.174 3.165 1.00 0.00 N ATOM 1478 CA GLY A 93 -15.727 -0.872 2.535 1.00 0.00 C ATOM 1479 C GLY A 93 -15.216 0.226 3.462 1.00 0.00 C ATOM 1480 O GLY A 93 -14.610 1.184 2.990 1.00 0.00 O ATOM 0 H GLY A 93 -16.442 -2.592 3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -15.179 -0.847 1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -16.777 -0.699 2.298 1.00 0.00 H new ATOM 1484 N ARG A 94 -15.473 0.049 4.768 1.00 0.00 N ATOM 1485 CA ARG A 94 -14.999 0.803 5.924 1.00 0.00 C ATOM 1486 C ARG A 94 -15.947 0.568 7.110 1.00 0.00 C ATOM 1487 O ARG A 94 -17.032 0.016 6.921 1.00 0.00 O ATOM 1488 CB ARG A 94 -14.720 2.267 5.577 1.00 0.00 C ATOM 1489 CG ARG A 94 -15.912 3.098 5.107 1.00 0.00 C ATOM 1490 CD ARG A 94 -16.990 3.322 6.167 1.00 0.00 C ATOM 1491 NE ARG A 94 -17.983 4.293 5.697 1.00 0.00 N ATOM 1492 CZ ARG A 94 -18.983 4.777 6.442 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -19.142 4.391 7.701 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -19.833 5.662 5.921 1.00 0.00 N ATOM 0 H ARG A 94 -16.086 -0.711 5.064 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.024 0.434 6.241 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -14.294 2.750 6.456 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -13.958 2.293 4.798 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -15.550 4.068 4.766 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.364 2.606 4.246 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -17.480 2.377 6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -16.532 3.680 7.089 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.906 4.622 4.735 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -18.497 3.717 8.113 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.909 4.769 8.257 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -19.721 5.970 4.955 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -20.596 6.032 6.488 1.00 0.00 H new ATOM 1508 N PRO A 95 -15.550 0.969 8.325 1.00 0.00 N ATOM 1509 CA PRO A 95 -16.244 0.701 9.577 1.00 0.00 C ATOM 1510 C PRO A 95 -17.703 1.161 9.544 1.00 0.00 C ATOM 1511 O PRO A 95 -18.008 2.175 8.918 1.00 0.00 O ATOM 1512 CB PRO A 95 -15.460 1.462 10.651 1.00 0.00 C ATOM 1513 CG PRO A 95 -14.075 1.661 10.038 1.00 0.00 C ATOM 1514 CD PRO A 95 -14.346 1.722 8.552 1.00 0.00 C ATOM 0 HA PRO A 95 -16.282 -0.370 9.774 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -15.932 2.416 10.886 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -15.406 0.895 11.580 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -13.606 2.577 10.397 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -13.404 0.839 10.289 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.466 2.754 8.222 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.513 1.301 7.988 1.00 0.00 H new ATOM 1522 N PRO A 96 -18.609 0.431 10.211 1.00 0.00 N ATOM 1523 CA PRO A 96 -20.025 0.744 10.217 1.00 0.00 C ATOM 1524 C PRO A 96 -20.391 1.853 11.207 1.00 0.00 C ATOM 1525 O PRO A 96 -21.161 2.746 10.858 1.00 0.00 O ATOM 1526 CB PRO A 96 -20.695 -0.568 10.628 1.00 0.00 C ATOM 1527 CG PRO A 96 -19.669 -1.202 11.567 1.00 0.00 C ATOM 1528 CD PRO A 96 -18.333 -0.779 10.963 1.00 0.00 C ATOM 0 HA PRO A 96 -20.345 1.117 9.244 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -21.647 -0.395 11.129 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -20.900 -1.203 9.766 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -19.781 -0.840 12.589 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -19.770 -2.287 11.600 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -17.592 -0.596 11.741 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -17.931 -1.559 10.316 1.00 0.00 H new ATOM 1536 N ASP A 97 -19.852 1.814 12.437 1.00 0.00 N ATOM 1537 CA ASP A 97 -20.251 2.719 13.511 1.00 0.00 C ATOM 1538 C ASP A 97 -19.141 2.892 14.556 1.00 0.00 C ATOM 1539 O ASP A 97 -19.418 3.202 15.713 1.00 0.00 O ATOM 1540 CB ASP A 97 -21.509 2.171 14.200 1.00 0.00 C ATOM 1541 CG ASP A 97 -22.735 2.184 13.292 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -23.286 3.287 13.082 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -23.115 1.089 12.817 1.00 0.00 O ATOM 0 H ASP A 97 -19.126 1.150 12.708 1.00 0.00 H new ATOM 0 HA ASP A 97 -20.451 3.694 13.066 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -21.320 1.150 14.532 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -21.717 2.763 15.091 1.00 0.00 H new ATOM 1548 N SER A 98 -17.881 2.690 14.158 1.00 0.00 N ATOM 1549 CA SER A 98 -16.742 2.758 15.069 1.00 0.00 C ATOM 1550 C SER A 98 -16.486 4.151 15.653 1.00 0.00 C ATOM 1551 O SER A 98 -15.527 4.322 16.402 1.00 0.00 O ATOM 1552 CB SER A 98 -15.479 2.272 14.358 1.00 0.00 C ATOM 1553 OG SER A 98 -15.635 0.919 13.995 1.00 0.00 O ATOM 0 H SER A 98 -17.626 2.475 13.194 1.00 0.00 H new ATOM 0 HA SER A 98 -16.995 2.111 15.909 1.00 0.00 H new ATOM 0 HB2 SER A 98 -15.292 2.878 13.472 1.00 0.00 H new ATOM 0 HB3 SER A 98 -14.614 2.387 15.011 1.00 0.00 H new ATOM 0 HG SER A 98 -14.777 0.563 13.684 1.00 0.00 H new ATOM 1559 N HIS A 99 -17.320 5.148 15.333 1.00 0.00 N ATOM 1560 CA HIS A 99 -17.120 6.507 15.808 1.00 0.00 C ATOM 1561 C HIS A 99 -18.457 7.204 16.081 1.00 0.00 C ATOM 1562 O HIS A 99 -19.512 6.732 15.648 1.00 0.00 O ATOM 1563 CB HIS A 99 -16.336 7.294 14.754 1.00 0.00 C ATOM 1564 CG HIS A 99 -17.149 7.574 13.517 1.00 0.00 C ATOM 1565 ND1 HIS A 99 -17.665 6.615 12.642 1.00 0.00 N ATOM 1566 CD2 HIS A 99 -17.497 8.820 13.073 1.00 0.00 C ATOM 1567 CE1 HIS A 99 -18.311 7.306 11.691 1.00 0.00 C ATOM 1568 NE2 HIS A 99 -18.227 8.628 11.923 1.00 0.00 N ATOM 0 H HIS A 99 -18.143 5.029 14.742 1.00 0.00 H new ATOM 0 HA HIS A 99 -16.563 6.469 16.744 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -16.001 8.237 15.185 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -15.442 6.734 14.478 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -17.249 9.765 13.533 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -18.828 6.861 10.853 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -18.635 9.363 11.345 1.00 0.00 H new ATOM 1576 N HIS A 100 -18.394 8.330 16.798 1.00 0.00 N ATOM 1577 CA HIS A 100 -19.562 9.127 17.150 1.00 0.00 C ATOM 1578 C HIS A 100 -19.170 10.599 17.253 1.00 0.00 C ATOM 1579 O HIS A 100 -17.990 10.924 17.402 1.00 0.00 O ATOM 1580 CB HIS A 100 -20.128 8.652 18.492 1.00 0.00 C ATOM 1581 CG HIS A 100 -20.561 7.211 18.486 1.00 0.00 C ATOM 1582 ND1 HIS A 100 -19.830 6.142 19.011 1.00 0.00 N ATOM 1583 CD2 HIS A 100 -21.732 6.740 17.959 1.00 0.00 C ATOM 1584 CE1 HIS A 100 -20.581 5.051 18.782 1.00 0.00 C ATOM 1585 NE2 HIS A 100 -21.722 5.377 18.150 1.00 0.00 N ATOM 0 H HIS A 100 -17.518 8.714 17.152 1.00 0.00 H new ATOM 0 HA HIS A 100 -20.321 9.009 16.377 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -19.373 8.793 19.266 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -20.979 9.278 18.760 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -22.510 7.322 17.487 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -20.305 4.047 19.068 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -22.453 4.727 17.862 1.00 0.00 H new ATOM 1593 N SER A 101 -20.163 11.492 17.174 1.00 0.00 N ATOM 1594 CA SER A 101 -19.950 12.932 17.245 1.00 0.00 C ATOM 1595 C SER A 101 -21.147 13.611 17.906 1.00 0.00 C ATOM 1596 O SER A 101 -20.905 14.417 18.832 1.00 0.00 O ATOM 1597 CB SER A 101 -19.748 13.493 15.839 1.00 0.00 C ATOM 1598 OG SER A 101 -18.584 12.938 15.256 1.00 0.00 O ATOM 1599 OXT SER A 101 -22.287 13.322 17.482 1.00 0.00 O ATOM 0 H SER A 101 -21.142 11.228 17.058 1.00 0.00 H new ATOM 0 HA SER A 101 -19.060 13.128 17.843 1.00 0.00 H new ATOM 0 HB2 SER A 101 -20.617 13.267 15.221 1.00 0.00 H new ATOM 0 HB3 SER A 101 -19.661 14.579 15.881 1.00 0.00 H new ATOM 0 HG SER A 101 -18.464 13.303 14.354 1.00 0.00 H new TER 1605 SER A 101 ATOM 1606 O5' U B 102 -4.662 -7.027 14.845 1.00 0.00 O ATOM 1607 C5' U B 102 -4.186 -6.381 13.680 1.00 0.00 C ATOM 1608 C4' U B 102 -4.070 -4.882 13.924 1.00 0.00 C ATOM 1609 O4' U B 102 -2.916 -4.608 14.692 1.00 0.00 O ATOM 1610 C3' U B 102 -3.860 -4.120 12.622 1.00 0.00 C ATOM 1611 O3' U B 102 -5.065 -3.886 11.915 1.00 0.00 O ATOM 1612 C2' U B 102 -3.236 -2.832 13.149 1.00 0.00 C ATOM 1613 O2' U B 102 -4.258 -1.926 13.520 1.00 0.00 O ATOM 1614 C1' U B 102 -2.524 -3.276 14.427 1.00 0.00 C ATOM 1615 N1 U B 102 -1.051 -3.171 14.338 1.00 0.00 N ATOM 1616 C2 U B 102 -0.345 -3.926 13.405 1.00 0.00 C ATOM 1617 O2 U B 102 -0.886 -4.705 12.625 1.00 0.00 O ATOM 1618 N3 U B 102 1.031 -3.755 13.392 1.00 0.00 N ATOM 1619 C4 U B 102 1.752 -2.911 14.220 1.00 0.00 C ATOM 1620 O4 U B 102 2.975 -2.838 14.125 1.00 0.00 O ATOM 1621 C5 U B 102 0.940 -2.169 15.155 1.00 0.00 C ATOM 1622 C6 U B 102 -0.407 -2.319 15.185 1.00 0.00 C ATOM 0 H5' U B 102 -4.863 -6.571 12.847 1.00 0.00 H new ATOM 0 H5'' U B 102 -3.214 -6.788 13.400 1.00 0.00 H new ATOM 0 H4' U B 102 -4.992 -4.578 14.419 1.00 0.00 H new ATOM 0 H3' U B 102 -3.254 -4.653 11.889 1.00 0.00 H new ATOM 0 H2' U B 102 -2.588 -2.350 12.417 1.00 0.00 H new ATOM 0 HO2' U B 102 -3.912 -1.010 13.483 1.00 0.00 H new ATOM 0 HO5' U B 102 -4.735 -7.990 14.678 1.00 0.00 H new ATOM 0 H1' U B 102 -2.814 -2.610 15.240 1.00 0.00 H new ATOM 0 H3 U B 102 1.560 -4.300 12.711 1.00 0.00 H new ATOM 0 H5 U B 102 1.413 -1.483 15.842 1.00 0.00 H new ATOM 0 H6 U B 102 -0.984 -1.749 15.898 1.00 0.00 H new ATOM 1634 P C B 103 -5.031 -3.519 10.354 1.00 0.00 P ATOM 1635 OP1 C B 103 -4.789 -4.769 9.603 1.00 0.00 O ATOM 1636 OP2 C B 103 -4.128 -2.363 10.150 1.00 0.00 O ATOM 1637 O5' C B 103 -6.531 -3.032 10.024 1.00 0.00 O ATOM 1638 C5' C B 103 -6.911 -1.682 10.171 1.00 0.00 C ATOM 1639 C4' C B 103 -8.282 -1.414 9.540 1.00 0.00 C ATOM 1640 O4' C B 103 -8.278 -1.782 8.168 1.00 0.00 O ATOM 1641 C3' C B 103 -9.404 -2.192 10.225 1.00 0.00 C ATOM 1642 O3' C B 103 -10.601 -1.433 10.213 1.00 0.00 O ATOM 1643 C2' C B 103 -9.530 -3.422 9.330 1.00 0.00 C ATOM 1644 O2' C B 103 -10.837 -3.967 9.372 1.00 0.00 O ATOM 1645 C1' C B 103 -9.177 -2.861 7.955 1.00 0.00 C ATOM 1646 N1 C B 103 -8.529 -3.877 7.093 1.00 0.00 N ATOM 1647 C2 C B 103 -8.957 -3.993 5.773 1.00 0.00 C ATOM 1648 O2 C B 103 -9.906 -3.332 5.354 1.00 0.00 O ATOM 1649 N3 C B 103 -8.302 -4.857 4.953 1.00 0.00 N ATOM 1650 C4 C B 103 -7.292 -5.598 5.414 1.00 0.00 C ATOM 1651 N4 C B 103 -6.654 -6.403 4.573 1.00 0.00 N ATOM 1652 C5 C B 103 -6.883 -5.541 6.778 1.00 0.00 C ATOM 1653 C6 C B 103 -7.535 -4.673 7.576 1.00 0.00 C ATOM 0 H5' C B 103 -6.163 -1.039 9.706 1.00 0.00 H new ATOM 0 H5'' C B 103 -6.939 -1.424 11.230 1.00 0.00 H new ATOM 0 H4' C B 103 -8.466 -0.346 9.660 1.00 0.00 H new ATOM 0 H3' C B 103 -9.211 -2.432 11.271 1.00 0.00 H new ATOM 0 H2' C B 103 -8.890 -4.252 9.630 1.00 0.00 H new ATOM 0 HO2' C B 103 -11.452 -3.312 9.763 1.00 0.00 H new ATOM 0 H1' C B 103 -10.087 -2.542 7.446 1.00 0.00 H new ATOM 0 H41 C B 103 -5.879 -6.977 4.905 1.00 0.00 H new ATOM 0 H42 C B 103 -6.938 -6.447 3.594 1.00 0.00 H new ATOM 0 H5 C B 103 -6.086 -6.165 7.155 1.00 0.00 H new ATOM 0 H6 C B 103 -7.264 -4.607 8.619 1.00 0.00 H new ATOM 1665 P C B 104 -10.769 -0.150 11.176 1.00 0.00 P ATOM 1666 OP1 C B 104 -9.536 -0.028 11.987 1.00 0.00 O ATOM 1667 OP2 C B 104 -12.079 -0.263 11.860 1.00 0.00 O ATOM 1668 O5' C B 104 -10.825 1.114 10.170 1.00 0.00 O ATOM 1669 C5' C B 104 -10.844 2.428 10.699 1.00 0.00 C ATOM 1670 C4' C B 104 -10.686 3.533 9.642 1.00 0.00 C ATOM 1671 O4' C B 104 -9.747 3.149 8.654 1.00 0.00 O ATOM 1672 C3' C B 104 -11.965 3.945 8.912 1.00 0.00 C ATOM 1673 O3' C B 104 -12.785 4.871 9.603 1.00 0.00 O ATOM 1674 C2' C B 104 -11.403 4.527 7.628 1.00 0.00 C ATOM 1675 O2' C B 104 -11.055 5.889 7.769 1.00 0.00 O ATOM 1676 C1' C B 104 -10.141 3.709 7.414 1.00 0.00 C ATOM 1677 N1 C B 104 -10.494 2.657 6.444 1.00 0.00 N ATOM 1678 C2 C B 104 -10.155 2.838 5.114 1.00 0.00 C ATOM 1679 O2 C B 104 -9.504 3.818 4.751 1.00 0.00 O ATOM 1680 N3 C B 104 -10.557 1.910 4.210 1.00 0.00 N ATOM 1681 C4 C B 104 -11.228 0.827 4.598 1.00 0.00 C ATOM 1682 N4 C B 104 -11.599 -0.048 3.668 1.00 0.00 N ATOM 1683 C5 C B 104 -11.545 0.593 5.971 1.00 0.00 C ATOM 1684 C6 C B 104 -11.170 1.548 6.848 1.00 0.00 C ATOM 0 H5' C B 104 -10.043 2.524 11.432 1.00 0.00 H new ATOM 0 H5'' C B 104 -11.783 2.580 11.231 1.00 0.00 H new ATOM 0 H4' C B 104 -10.356 4.394 10.224 1.00 0.00 H new ATOM 0 H3' C B 104 -12.650 3.107 8.782 1.00 0.00 H new ATOM 0 H2' C B 104 -12.122 4.484 6.810 1.00 0.00 H new ATOM 0 HO2' C B 104 -11.543 6.422 7.107 1.00 0.00 H new ATOM 0 H1' C B 104 -9.311 4.307 7.039 1.00 0.00 H new ATOM 0 H41 C B 104 -12.114 -0.887 3.934 1.00 0.00 H new ATOM 0 H42 C B 104 -11.368 0.120 2.689 1.00 0.00 H new ATOM 0 H5 C B 104 -12.058 -0.302 6.291 1.00 0.00 H new ATOM 0 H6 C B 104 -11.412 1.429 7.894 1.00 0.00 H new ATOM 1696 P A B 105 -14.227 5.291 9.002 1.00 0.00 P ATOM 1697 OP1 A B 105 -15.276 4.716 9.874 1.00 0.00 O ATOM 1698 OP2 A B 105 -14.240 4.976 7.558 1.00 0.00 O ATOM 1699 O5' A B 105 -14.288 6.897 9.118 1.00 0.00 O ATOM 1700 C5' A B 105 -15.142 7.535 10.048 1.00 0.00 C ATOM 1701 C4' A B 105 -14.471 7.728 11.407 1.00 0.00 C ATOM 1702 O4' A B 105 -14.217 6.494 12.069 1.00 0.00 O ATOM 1703 C3' A B 105 -13.142 8.481 11.270 1.00 0.00 C ATOM 1704 O3' A B 105 -13.169 9.698 11.993 1.00 0.00 O ATOM 1705 C2' A B 105 -12.165 7.509 11.920 1.00 0.00 C ATOM 1706 O2' A B 105 -11.121 8.163 12.615 1.00 0.00 O ATOM 1707 C1' A B 105 -13.080 6.749 12.865 1.00 0.00 C ATOM 1708 N9 A B 105 -12.414 5.564 13.435 1.00 0.00 N ATOM 1709 C8 A B 105 -11.685 4.616 12.781 1.00 0.00 C ATOM 1710 N7 A B 105 -11.174 3.697 13.553 1.00 0.00 N ATOM 1711 C5 A B 105 -11.590 4.082 14.830 1.00 0.00 C ATOM 1712 C6 A B 105 -11.353 3.564 16.118 1.00 0.00 C ATOM 1713 N6 A B 105 -10.619 2.473 16.357 1.00 0.00 N ATOM 1714 N1 A B 105 -11.888 4.200 17.168 1.00 0.00 N ATOM 1715 C2 A B 105 -12.607 5.290 16.952 1.00 0.00 C ATOM 1716 N3 A B 105 -12.898 5.887 15.806 1.00 0.00 N ATOM 1717 C4 A B 105 -12.355 5.213 14.764 1.00 0.00 C ATOM 0 H5' A B 105 -16.048 6.943 10.173 1.00 0.00 H new ATOM 0 H5'' A B 105 -15.447 8.504 9.654 1.00 0.00 H new ATOM 0 H4' A B 105 -15.174 8.311 12.003 1.00 0.00 H new ATOM 0 H3' A B 105 -12.897 8.751 10.243 1.00 0.00 H new ATOM 0 H2' A B 105 -11.637 6.882 11.202 1.00 0.00 H new ATOM 0 HO2' A B 105 -10.391 8.366 11.993 1.00 0.00 H new ATOM 0 H1' A B 105 -13.360 7.295 13.766 1.00 0.00 H new ATOM 0 H8 A B 105 -11.542 4.625 11.711 1.00 0.00 H new ATOM 0 H61 A B 105 -10.485 2.148 17.315 1.00 0.00 H new ATOM 0 H62 A B 105 -10.193 1.965 15.582 1.00 0.00 H new ATOM 0 H2 A B 105 -13.014 5.759 17.835 1.00 0.00 H new ATOM 1729 P G B 106 -13.947 10.989 11.425 1.00 0.00 P ATOM 1730 OP1 G B 106 -13.770 12.095 12.395 1.00 0.00 O ATOM 1731 OP2 G B 106 -15.315 10.583 11.032 1.00 0.00 O ATOM 1732 O5' G B 106 -13.124 11.347 10.089 1.00 0.00 O ATOM 1733 C5' G B 106 -11.923 12.088 10.144 1.00 0.00 C ATOM 1734 C4' G B 106 -11.317 12.234 8.746 1.00 0.00 C ATOM 1735 O4' G B 106 -10.687 11.038 8.320 1.00 0.00 O ATOM 1736 C3' G B 106 -12.360 12.569 7.685 1.00 0.00 C ATOM 1737 O3' G B 106 -12.679 13.948 7.643 1.00 0.00 O ATOM 1738 C2' G B 106 -11.646 12.107 6.420 1.00 0.00 C ATOM 1739 O2' G B 106 -10.809 13.134 5.927 1.00 0.00 O ATOM 1740 C1' G B 106 -10.746 10.975 6.903 1.00 0.00 C ATOM 1741 N9 G B 106 -11.277 9.673 6.469 1.00 0.00 N ATOM 1742 C8 G B 106 -12.412 9.016 6.857 1.00 0.00 C ATOM 1743 N7 G B 106 -12.601 7.880 6.241 1.00 0.00 N ATOM 1744 C5 G B 106 -11.503 7.771 5.391 1.00 0.00 C ATOM 1745 C6 G B 106 -11.154 6.751 4.455 1.00 0.00 C ATOM 1746 O6 G B 106 -11.741 5.699 4.205 1.00 0.00 O ATOM 1747 N1 G B 106 -9.987 7.060 3.763 1.00 0.00 N ATOM 1748 C2 G B 106 -9.243 8.197 3.959 1.00 0.00 C ATOM 1749 N2 G B 106 -8.168 8.350 3.189 1.00 0.00 N ATOM 1750 N3 G B 106 -9.544 9.137 4.852 1.00 0.00 N ATOM 1751 C4 G B 106 -10.688 8.864 5.527 1.00 0.00 C ATOM 0 H5' G B 106 -11.212 11.591 10.804 1.00 0.00 H new ATOM 0 H5'' G B 106 -12.116 13.074 10.567 1.00 0.00 H new ATOM 0 H4' G B 106 -10.598 13.048 8.840 1.00 0.00 H new ATOM 0 H3' G B 106 -13.328 12.098 7.856 1.00 0.00 H new ATOM 0 H2' G B 106 -12.348 11.825 5.635 1.00 0.00 H new ATOM 0 HO2' G B 106 -10.826 13.894 6.545 1.00 0.00 H new ATOM 0 H1' G B 106 -9.748 11.083 6.479 1.00 0.00 H new ATOM 0 H8 G B 106 -13.090 9.401 7.604 1.00 0.00 H new ATOM 0 H1 G B 106 -9.662 6.395 3.061 1.00 0.00 H new ATOM 0 H21 G B 106 -7.580 9.177 3.293 1.00 0.00 H new ATOM 0 H22 G B 106 -7.933 7.640 2.495 1.00 0.00 H new ATOM 1763 P U B 107 -13.899 14.492 6.740 1.00 0.00 P ATOM 1764 OP1 U B 107 -14.927 15.032 7.656 1.00 0.00 O ATOM 1765 OP2 U B 107 -14.270 13.439 5.770 1.00 0.00 O ATOM 1766 O5' U B 107 -13.277 15.732 5.912 1.00 0.00 O ATOM 1767 C5' U B 107 -12.359 15.536 4.856 1.00 0.00 C ATOM 1768 C4' U B 107 -12.485 16.673 3.840 1.00 0.00 C ATOM 1769 O4' U B 107 -11.810 16.385 2.629 1.00 0.00 O ATOM 1770 C3' U B 107 -13.952 16.905 3.469 1.00 0.00 C ATOM 1771 O3' U B 107 -14.387 18.139 4.011 1.00 0.00 O ATOM 1772 C2' U B 107 -13.937 16.938 1.938 1.00 0.00 C ATOM 1773 O2' U B 107 -14.733 17.989 1.420 1.00 0.00 O ATOM 1774 C1' U B 107 -12.461 17.119 1.609 1.00 0.00 C ATOM 1775 N1 U B 107 -12.092 16.686 0.235 1.00 0.00 N ATOM 1776 C2 U B 107 -10.770 16.334 -0.021 1.00 0.00 C ATOM 1777 O2 U B 107 -9.872 16.447 0.812 1.00 0.00 O ATOM 1778 N3 U B 107 -10.498 15.838 -1.284 1.00 0.00 N ATOM 1779 C4 U B 107 -11.398 15.730 -2.327 1.00 0.00 C ATOM 1780 O4 U B 107 -11.054 15.272 -3.413 1.00 0.00 O ATOM 1781 C5 U B 107 -12.725 16.199 -2.002 1.00 0.00 C ATOM 1782 C6 U B 107 -13.025 16.658 -0.767 1.00 0.00 C ATOM 0 H5' U B 107 -12.549 14.579 4.370 1.00 0.00 H new ATOM 0 H5'' U B 107 -11.343 15.498 5.248 1.00 0.00 H new ATOM 0 H4' U B 107 -12.045 17.549 4.317 1.00 0.00 H new ATOM 0 H3' U B 107 -14.631 16.144 3.854 1.00 0.00 H new ATOM 0 H2' U B 107 -14.362 16.040 1.491 1.00 0.00 H new ATOM 0 HO2' U B 107 -14.704 18.754 2.032 1.00 0.00 H new ATOM 0 HO3' U B 107 -14.294 18.119 4.986 1.00 0.00 H new ATOM 0 H1' U B 107 -12.166 18.168 1.595 1.00 0.00 H new ATOM 0 H3 U B 107 -9.544 15.523 -1.462 1.00 0.00 H new ATOM 0 H5 U B 107 -13.493 16.182 -2.761 1.00 0.00 H new ATOM 0 H6 U B 107 -14.025 17.012 -0.565 1.00 0.00 H new TER 1794 U B 107