USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 849 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 44 TYR OH : rot 97:sc= 1.8 USER MOD Set 1.2: B 105 A O2' : rot -50:sc= 0.523 USER MOD Set 2.1: A 72 MET CE :methyl 172:sc= -0.941 (180deg=-1) USER MOD Set 2.2: A 89 MET CE :methyl 175:sc= -0.804 (180deg=-0.438) USER MOD Set 3.1: A 37 TYR OH : rot 180:sc= -0.0219 USER MOD Set 3.2: A 75 MET CE :methyl 170:sc= -2.37 (180deg=-2.42) USER MOD Set 4.1: A 26 SER OG : rot 180:sc= 0.402 USER MOD Set 4.2: A 29 THR OG1 : rot 87:sc= 0.437 USER MOD Set 5.1: A 13 MET CE :methyl -130:sc= -0.0368 (180deg=-1.35) USER MOD Set 5.2: A 15 SER OG : rot 180:sc= 0.206 USER MOD Set 6.1: A 2 SER OG : rot -75:sc= 0.627 USER MOD Set 6.2: B 106 G O2' : rot 30:sc= 0.698 USER MOD Set 6.3: B 107 U O2' : rot 149:sc= 0.716 USER MOD Single : A 1 MET CE :methyl -169:sc=-0.00275 (180deg=-0.191) USER MOD Single : A 1 MET N :NH3+ -128:sc=0.000911 (180deg=-0.201) USER MOD Single : A 3 TYR OH : rot 81:sc= 0.0259 USER MOD Single : A 14 THR OG1 : rot 100:sc= -0.941 USER MOD Single : A 17 LYS NZ :NH3+ -165:sc= 2.96 (180deg=2.59) USER MOD Single : A 20 ASN : amide:sc= -2.72! C(o=-2.7!,f=-5.4!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0103 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -170:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot -170:sc= -0.958 USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.102) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -2.5 K(o=-2.5,f=-0.64) USER MOD Single : A 65 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00109) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 154:sc= 1.27 USER MOD Single : A 99 HIS : no HD1:sc= -0.0146 K(o=-0.015,f=-0.97) USER MOD Single : A 100 HIS : no HD1:sc= -0.713 K(o=-0.71,f=-2.1!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : B 102 U O2' : rot 23:sc= 0.222 USER MOD Single : B 102 U O5' : rot 58:sc= 0.941 USER MOD Single : B 103 G O2' : rot -56:sc= 1.55 USER MOD Single : B 104 G O2' : rot 134:sc= 1.06 USER MOD Single : B 107 U O3' : rot -100:sc= -0.875 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.977 16.192 6.908 1.00 0.00 N ATOM 2 CA MET A 1 -16.529 16.208 7.194 1.00 0.00 C ATOM 3 C MET A 1 -15.828 15.075 6.450 1.00 0.00 C ATOM 4 O MET A 1 -16.060 13.901 6.742 1.00 0.00 O ATOM 5 CB MET A 1 -16.261 16.100 8.697 1.00 0.00 C ATOM 6 CG MET A 1 -16.838 17.294 9.454 1.00 0.00 C ATOM 7 SD MET A 1 -16.213 18.905 8.913 1.00 0.00 S ATOM 8 CE MET A 1 -14.479 18.749 9.407 1.00 0.00 C ATOM 0 H1 MET A 1 -18.279 17.136 6.594 1.00 0.00 H new ATOM 0 H2 MET A 1 -18.175 15.498 6.159 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.498 15.931 7.769 1.00 0.00 H new ATOM 0 HA MET A 1 -16.128 17.160 6.846 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.699 15.178 9.081 1.00 0.00 H new ATOM 0 HB3 MET A 1 -15.187 16.040 8.873 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.923 17.285 9.347 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.622 17.173 10.515 1.00 0.00 H new ATOM 0 HE1 MET A 1 -13.989 19.720 9.328 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.424 18.398 10.437 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.977 18.035 8.754 1.00 0.00 H new ATOM 18 N SER A 2 -14.969 15.429 5.492 1.00 0.00 N ATOM 19 CA SER A 2 -14.237 14.466 4.689 1.00 0.00 C ATOM 20 C SER A 2 -12.935 15.084 4.180 1.00 0.00 C ATOM 21 O SER A 2 -12.591 16.207 4.556 1.00 0.00 O ATOM 22 CB SER A 2 -15.111 14.028 3.515 1.00 0.00 C ATOM 23 OG SER A 2 -15.286 15.096 2.607 1.00 0.00 O ATOM 0 H SER A 2 -14.765 16.400 5.255 1.00 0.00 H new ATOM 0 HA SER A 2 -13.987 13.598 5.299 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.650 13.181 3.006 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.081 13.691 3.881 1.00 0.00 H new ATOM 0 HG SER A 2 -15.921 15.742 2.980 1.00 0.00 H new ATOM 29 N TYR A 3 -12.207 14.359 3.322 1.00 0.00 N ATOM 30 CA TYR A 3 -10.967 14.842 2.733 1.00 0.00 C ATOM 31 C TYR A 3 -11.196 16.147 1.969 1.00 0.00 C ATOM 32 O TYR A 3 -10.293 16.978 1.882 1.00 0.00 O ATOM 33 CB TYR A 3 -10.427 13.774 1.788 1.00 0.00 C ATOM 34 CG TYR A 3 -9.988 12.511 2.492 1.00 0.00 C ATOM 35 CD1 TYR A 3 -10.944 11.569 2.894 1.00 0.00 C ATOM 36 CD2 TYR A 3 -8.626 12.281 2.742 1.00 0.00 C ATOM 37 CE1 TYR A 3 -10.547 10.399 3.561 1.00 0.00 C ATOM 38 CE2 TYR A 3 -8.216 11.111 3.400 1.00 0.00 C ATOM 39 CZ TYR A 3 -9.176 10.166 3.819 1.00 0.00 C ATOM 40 OH TYR A 3 -8.784 9.037 4.468 1.00 0.00 O ATOM 0 H TYR A 3 -12.468 13.420 3.021 1.00 0.00 H new ATOM 0 HA TYR A 3 -10.247 15.041 3.527 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -11.196 13.524 1.057 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -9.582 14.184 1.234 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -11.990 11.743 2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -7.891 13.007 2.427 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -11.287 9.678 3.876 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -7.167 10.934 3.585 1.00 0.00 H new ATOM 0 HH TYR A 3 -8.757 8.289 3.836 1.00 0.00 H new ATOM 50 N GLY A 4 -12.402 16.321 1.418 1.00 0.00 N ATOM 51 CA GLY A 4 -12.776 17.531 0.708 1.00 0.00 C ATOM 52 C GLY A 4 -12.118 17.630 -0.667 1.00 0.00 C ATOM 53 O GLY A 4 -11.608 18.690 -1.026 1.00 0.00 O ATOM 0 H GLY A 4 -13.142 15.620 1.456 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.859 17.560 0.592 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.496 18.399 1.304 1.00 0.00 H new ATOM 57 N ARG A 5 -12.135 16.526 -1.429 1.00 0.00 N ATOM 58 CA ARG A 5 -11.636 16.442 -2.802 1.00 0.00 C ATOM 59 C ARG A 5 -10.346 17.236 -3.057 1.00 0.00 C ATOM 60 O ARG A 5 -10.279 18.014 -4.010 1.00 0.00 O ATOM 61 CB ARG A 5 -12.765 16.767 -3.777 1.00 0.00 C ATOM 62 CG ARG A 5 -13.240 18.211 -3.651 1.00 0.00 C ATOM 63 CD ARG A 5 -14.476 18.391 -4.515 1.00 0.00 C ATOM 64 NE ARG A 5 -14.665 19.794 -4.898 1.00 0.00 N ATOM 65 CZ ARG A 5 -15.164 20.753 -4.113 1.00 0.00 C ATOM 66 NH1 ARG A 5 -15.564 20.489 -2.871 1.00 0.00 N ATOM 67 NH2 ARG A 5 -15.263 21.999 -4.570 1.00 0.00 N ATOM 0 H ARG A 5 -12.510 15.640 -1.091 1.00 0.00 H new ATOM 0 HA ARG A 5 -11.321 15.413 -2.977 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.425 16.586 -4.797 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.603 16.094 -3.597 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -13.468 18.445 -2.611 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -12.454 18.897 -3.967 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -14.387 17.777 -5.411 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.354 18.039 -3.973 1.00 0.00 H new ATOM 0 HE ARG A 5 -14.392 20.060 -5.844 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -15.492 19.540 -2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -15.942 21.235 -2.288 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.958 22.220 -5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -15.644 22.733 -3.972 1.00 0.00 H new ATOM 81 N PRO A 6 -9.312 17.059 -2.220 1.00 0.00 N ATOM 82 CA PRO A 6 -8.100 17.856 -2.274 1.00 0.00 C ATOM 83 C PRO A 6 -7.261 17.491 -3.501 1.00 0.00 C ATOM 84 O PRO A 6 -7.288 16.343 -3.948 1.00 0.00 O ATOM 85 CB PRO A 6 -7.351 17.516 -0.986 1.00 0.00 C ATOM 86 CG PRO A 6 -7.784 16.081 -0.695 1.00 0.00 C ATOM 87 CD PRO A 6 -9.234 16.069 -1.163 1.00 0.00 C ATOM 0 HA PRO A 6 -8.314 18.921 -2.357 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -6.272 17.592 -1.117 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.622 18.190 -0.173 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -7.177 15.357 -1.238 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.698 15.839 0.364 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.520 15.083 -1.528 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -9.912 16.315 -0.345 1.00 0.00 H new ATOM 95 N PRO A 7 -6.516 18.456 -4.049 1.00 0.00 N ATOM 96 CA PRO A 7 -5.647 18.239 -5.193 1.00 0.00 C ATOM 97 C PRO A 7 -4.386 17.480 -4.772 1.00 0.00 C ATOM 98 O PRO A 7 -3.665 17.927 -3.876 1.00 0.00 O ATOM 99 CB PRO A 7 -5.303 19.647 -5.686 1.00 0.00 C ATOM 100 CG PRO A 7 -5.347 20.489 -4.414 1.00 0.00 C ATOM 101 CD PRO A 7 -6.462 19.836 -3.602 1.00 0.00 C ATOM 0 HA PRO A 7 -6.119 17.638 -5.970 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -4.320 19.679 -6.155 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -6.021 20.000 -6.426 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -4.396 20.466 -3.883 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -5.566 21.535 -4.631 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -6.254 19.894 -2.534 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.414 20.339 -3.769 1.00 0.00 H new ATOM 109 N PRO A 8 -4.104 16.333 -5.403 1.00 0.00 N ATOM 110 CA PRO A 8 -2.913 15.544 -5.150 1.00 0.00 C ATOM 111 C PRO A 8 -1.724 16.113 -5.923 1.00 0.00 C ATOM 112 O PRO A 8 -1.779 17.234 -6.431 1.00 0.00 O ATOM 113 CB PRO A 8 -3.286 14.149 -5.644 1.00 0.00 C ATOM 114 CG PRO A 8 -4.157 14.455 -6.861 1.00 0.00 C ATOM 115 CD PRO A 8 -4.932 15.694 -6.414 1.00 0.00 C ATOM 0 HA PRO A 8 -2.613 15.542 -4.102 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.406 13.564 -5.911 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.829 13.582 -4.888 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.557 14.651 -7.750 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.822 13.626 -7.102 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.114 16.366 -7.253 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.906 15.421 -6.007 1.00 0.00 H new ATOM 123 N ASP A 9 -0.640 15.336 -6.020 1.00 0.00 N ATOM 124 CA ASP A 9 0.589 15.734 -6.698 1.00 0.00 C ATOM 125 C ASP A 9 1.055 14.607 -7.626 1.00 0.00 C ATOM 126 O ASP A 9 2.250 14.430 -7.862 1.00 0.00 O ATOM 127 CB ASP A 9 1.636 16.110 -5.645 1.00 0.00 C ATOM 128 CG ASP A 9 2.881 16.734 -6.271 1.00 0.00 C ATOM 129 OD1 ASP A 9 2.714 17.645 -7.114 1.00 0.00 O ATOM 130 OD2 ASP A 9 3.994 16.297 -5.899 1.00 0.00 O ATOM 0 H ASP A 9 -0.596 14.398 -5.622 1.00 0.00 H new ATOM 0 HA ASP A 9 0.422 16.610 -7.325 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.199 16.810 -4.933 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.920 15.220 -5.083 1.00 0.00 H new ATOM 135 N VAL A 10 0.093 13.833 -8.148 1.00 0.00 N ATOM 136 CA VAL A 10 0.332 12.695 -9.028 1.00 0.00 C ATOM 137 C VAL A 10 1.121 13.076 -10.283 1.00 0.00 C ATOM 138 O VAL A 10 1.592 12.202 -11.010 1.00 0.00 O ATOM 139 CB VAL A 10 -1.001 12.056 -9.428 1.00 0.00 C ATOM 140 CG1 VAL A 10 -1.740 11.562 -8.194 1.00 0.00 C ATOM 141 CG2 VAL A 10 -1.901 13.044 -10.177 1.00 0.00 C ATOM 0 H VAL A 10 -0.897 13.991 -7.961 1.00 0.00 H new ATOM 0 HA VAL A 10 0.938 11.981 -8.470 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.771 11.221 -10.089 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.686 11.110 -8.493 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.131 10.820 -7.678 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.934 12.401 -7.526 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.837 12.553 -10.444 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -2.110 13.902 -9.538 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.397 13.381 -11.083 1.00 0.00 H new ATOM 151 N GLU A 11 1.261 14.380 -10.538 1.00 0.00 N ATOM 152 CA GLU A 11 1.996 14.910 -11.675 1.00 0.00 C ATOM 153 C GLU A 11 3.509 14.713 -11.535 1.00 0.00 C ATOM 154 O GLU A 11 4.257 15.109 -12.431 1.00 0.00 O ATOM 155 CB GLU A 11 1.660 16.397 -11.827 1.00 0.00 C ATOM 156 CG GLU A 11 2.059 17.193 -10.582 1.00 0.00 C ATOM 157 CD GLU A 11 1.724 18.671 -10.759 1.00 0.00 C ATOM 158 OE1 GLU A 11 0.559 19.039 -10.481 1.00 0.00 O ATOM 159 OE2 GLU A 11 2.634 19.424 -11.177 1.00 0.00 O ATOM 0 H GLU A 11 0.857 15.105 -9.945 1.00 0.00 H new ATOM 0 HA GLU A 11 1.694 14.360 -12.566 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.176 16.800 -12.699 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.591 16.513 -12.007 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.538 16.799 -9.709 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.127 17.076 -10.396 1.00 0.00 H new ATOM 166 N GLY A 12 3.976 14.106 -10.438 1.00 0.00 N ATOM 167 CA GLY A 12 5.403 13.931 -10.215 1.00 0.00 C ATOM 168 C GLY A 12 5.727 12.990 -9.055 1.00 0.00 C ATOM 169 O GLY A 12 6.741 13.194 -8.390 1.00 0.00 O ATOM 0 H GLY A 12 3.383 13.731 -9.697 1.00 0.00 H new ATOM 0 HA2 GLY A 12 5.860 13.544 -11.125 1.00 0.00 H new ATOM 0 HA3 GLY A 12 5.854 14.904 -10.020 1.00 0.00 H new ATOM 173 N MET A 13 4.893 11.973 -8.804 1.00 0.00 N ATOM 174 CA MET A 13 5.137 11.034 -7.713 1.00 0.00 C ATOM 175 C MET A 13 4.735 9.606 -8.095 1.00 0.00 C ATOM 176 O MET A 13 4.030 9.397 -9.081 1.00 0.00 O ATOM 177 CB MET A 13 4.431 11.524 -6.446 1.00 0.00 C ATOM 178 CG MET A 13 2.913 11.395 -6.559 1.00 0.00 C ATOM 179 SD MET A 13 2.022 12.320 -5.281 1.00 0.00 S ATOM 180 CE MET A 13 0.500 11.350 -5.226 1.00 0.00 C ATOM 0 H MET A 13 4.047 11.784 -9.342 1.00 0.00 H new ATOM 0 HA MET A 13 6.207 10.997 -7.510 1.00 0.00 H new ATOM 0 HB2 MET A 13 4.782 10.950 -5.589 1.00 0.00 H new ATOM 0 HB3 MET A 13 4.695 12.565 -6.262 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.597 11.747 -7.541 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.638 10.342 -6.495 1.00 0.00 H new ATOM 0 HE1 MET A 13 -0.359 12.017 -5.300 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.487 10.647 -6.059 1.00 0.00 H new ATOM 0 HE3 MET A 13 0.453 10.800 -4.286 1.00 0.00 H new ATOM 190 N THR A 14 5.197 8.629 -7.307 1.00 0.00 N ATOM 191 CA THR A 14 5.088 7.205 -7.624 1.00 0.00 C ATOM 192 C THR A 14 3.652 6.695 -7.775 1.00 0.00 C ATOM 193 O THR A 14 3.428 5.732 -8.509 1.00 0.00 O ATOM 194 CB THR A 14 5.844 6.411 -6.554 1.00 0.00 C ATOM 195 OG1 THR A 14 7.219 6.625 -6.745 1.00 0.00 O ATOM 196 CG2 THR A 14 5.586 4.908 -6.658 1.00 0.00 C ATOM 0 H THR A 14 5.664 8.810 -6.418 1.00 0.00 H new ATOM 0 HA THR A 14 5.534 7.058 -8.608 1.00 0.00 H new ATOM 0 HB THR A 14 5.501 6.750 -5.576 1.00 0.00 H new ATOM 0 HG1 THR A 14 7.537 7.299 -6.108 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.143 4.388 -5.879 1.00 0.00 H new ATOM 0 HG22 THR A 14 4.521 4.712 -6.534 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.909 4.550 -7.635 1.00 0.00 H new ATOM 203 N SER A 15 2.679 7.313 -7.101 1.00 0.00 N ATOM 204 CA SER A 15 1.279 6.900 -7.148 1.00 0.00 C ATOM 205 C SER A 15 1.089 5.385 -7.059 1.00 0.00 C ATOM 206 O SER A 15 0.520 4.778 -7.968 1.00 0.00 O ATOM 207 CB SER A 15 0.603 7.465 -8.395 1.00 0.00 C ATOM 208 OG SER A 15 0.526 8.870 -8.292 1.00 0.00 O ATOM 0 H SER A 15 2.845 8.122 -6.502 1.00 0.00 H new ATOM 0 HA SER A 15 0.800 7.313 -6.260 1.00 0.00 H new ATOM 0 HB2 SER A 15 1.166 7.185 -9.285 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.396 7.042 -8.504 1.00 0.00 H new ATOM 0 HG SER A 15 0.094 9.234 -9.093 1.00 0.00 H new ATOM 214 N LEU A 16 1.556 4.759 -5.975 1.00 0.00 N ATOM 215 CA LEU A 16 1.241 3.352 -5.733 1.00 0.00 C ATOM 216 C LEU A 16 -0.260 3.251 -5.470 1.00 0.00 C ATOM 217 O LEU A 16 -0.910 4.280 -5.294 1.00 0.00 O ATOM 218 CB LEU A 16 1.990 2.860 -4.494 1.00 0.00 C ATOM 219 CG LEU A 16 2.003 1.335 -4.323 1.00 0.00 C ATOM 220 CD1 LEU A 16 2.936 0.672 -5.330 1.00 0.00 C ATOM 221 CD2 LEU A 16 2.474 0.992 -2.916 1.00 0.00 C ATOM 0 H LEU A 16 2.143 5.196 -5.264 1.00 0.00 H new ATOM 0 HA LEU A 16 1.533 2.748 -6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.019 3.217 -4.541 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.538 3.308 -3.609 1.00 0.00 H new ATOM 0 HG LEU A 16 0.992 0.965 -4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.922 -0.408 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.603 0.904 -6.342 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.950 1.045 -5.187 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.485 -0.091 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.479 1.385 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.796 1.435 -2.187 1.00 0.00 H new ATOM 233 N LYS A 17 -0.818 2.038 -5.431 1.00 0.00 N ATOM 234 CA LYS A 17 -2.192 1.835 -5.002 1.00 0.00 C ATOM 235 C LYS A 17 -2.314 0.592 -4.120 1.00 0.00 C ATOM 236 O LYS A 17 -1.488 -0.313 -4.214 1.00 0.00 O ATOM 237 CB LYS A 17 -3.137 1.742 -6.207 1.00 0.00 C ATOM 238 CG LYS A 17 -2.897 0.478 -7.038 1.00 0.00 C ATOM 239 CD LYS A 17 -4.226 -0.043 -7.574 1.00 0.00 C ATOM 240 CE LYS A 17 -4.049 -1.453 -8.137 1.00 0.00 C ATOM 241 NZ LYS A 17 -5.345 -2.155 -8.212 1.00 0.00 N ATOM 0 H LYS A 17 -0.331 1.181 -5.694 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.486 2.700 -4.408 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.170 1.754 -5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.004 2.620 -6.839 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.221 0.697 -7.865 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.416 -0.285 -6.426 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.970 -0.052 -6.777 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.600 0.623 -8.352 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.602 -1.399 -9.130 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.361 -2.017 -7.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.181 -3.173 -8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.872 -2.006 -7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -5.896 -1.782 -9.011 1.00 0.00 H new ATOM 255 N VAL A 18 -3.342 0.552 -3.270 1.00 0.00 N ATOM 256 CA VAL A 18 -3.607 -0.625 -2.441 1.00 0.00 C ATOM 257 C VAL A 18 -5.084 -0.982 -2.480 1.00 0.00 C ATOM 258 O VAL A 18 -5.932 -0.095 -2.561 1.00 0.00 O ATOM 259 CB VAL A 18 -3.194 -0.389 -0.981 1.00 0.00 C ATOM 260 CG1 VAL A 18 -3.439 -1.649 -0.151 1.00 0.00 C ATOM 261 CG2 VAL A 18 -1.727 0.006 -0.846 1.00 0.00 C ATOM 0 H VAL A 18 -4.002 1.318 -3.138 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.015 -1.445 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.805 0.436 -0.615 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -3.142 -1.468 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -4.498 -1.906 -0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.852 -2.473 -0.558 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.487 0.161 0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.098 -0.788 -1.248 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -1.546 0.928 -1.399 1.00 0.00 H new ATOM 271 N ASP A 19 -5.360 -2.288 -2.414 1.00 0.00 N ATOM 272 CA ASP A 19 -6.704 -2.848 -2.424 1.00 0.00 C ATOM 273 C ASP A 19 -6.727 -4.159 -1.628 1.00 0.00 C ATOM 274 O ASP A 19 -5.723 -4.532 -1.024 1.00 0.00 O ATOM 275 CB ASP A 19 -7.113 -3.146 -3.870 1.00 0.00 C ATOM 276 CG ASP A 19 -7.074 -1.903 -4.748 1.00 0.00 C ATOM 277 OD1 ASP A 19 -7.942 -1.024 -4.545 1.00 0.00 O ATOM 278 OD2 ASP A 19 -6.170 -1.848 -5.613 1.00 0.00 O ATOM 0 H ASP A 19 -4.632 -2.999 -2.351 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.393 -2.133 -1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -6.447 -3.903 -4.285 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -8.119 -3.565 -3.882 1.00 0.00 H new ATOM 283 N ASN A 20 -7.882 -4.848 -1.646 1.00 0.00 N ATOM 284 CA ASN A 20 -8.059 -6.211 -1.146 1.00 0.00 C ATOM 285 C ASN A 20 -8.515 -6.257 0.316 1.00 0.00 C ATOM 286 O ASN A 20 -8.195 -7.201 1.035 1.00 0.00 O ATOM 287 CB ASN A 20 -6.792 -7.044 -1.377 1.00 0.00 C ATOM 288 CG ASN A 20 -7.102 -8.461 -1.815 1.00 0.00 C ATOM 289 OD1 ASN A 20 -8.011 -8.693 -2.607 1.00 0.00 O ATOM 290 ND2 ASN A 20 -6.353 -9.429 -1.304 1.00 0.00 N ATOM 0 H ASN A 20 -8.743 -4.452 -2.023 1.00 0.00 H new ATOM 0 HA ASN A 20 -8.869 -6.659 -1.722 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -6.175 -6.560 -2.134 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -6.206 -7.071 -0.458 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.525 -10.399 -1.567 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -5.605 -9.203 -0.648 1.00 0.00 H new ATOM 297 N LEU A 21 -9.256 -5.234 0.751 1.00 0.00 N ATOM 298 CA LEU A 21 -9.729 -5.080 2.121 1.00 0.00 C ATOM 299 C LEU A 21 -10.459 -6.343 2.560 1.00 0.00 C ATOM 300 O LEU A 21 -11.477 -6.721 1.981 1.00 0.00 O ATOM 301 CB LEU A 21 -10.678 -3.877 2.190 1.00 0.00 C ATOM 302 CG LEU A 21 -10.003 -2.499 2.163 1.00 0.00 C ATOM 303 CD1 LEU A 21 -9.742 -2.053 3.595 1.00 0.00 C ATOM 304 CD2 LEU A 21 -8.666 -2.464 1.413 1.00 0.00 C ATOM 0 H LEU A 21 -9.549 -4.472 0.140 1.00 0.00 H new ATOM 0 HA LEU A 21 -8.881 -4.915 2.786 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -11.374 -3.937 1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -11.269 -3.955 3.103 1.00 0.00 H new ATOM 0 HG LEU A 21 -10.688 -1.839 1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -9.262 -1.074 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -10.687 -1.991 4.135 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -9.090 -2.774 4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.258 -1.453 1.443 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -7.965 -3.152 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -8.823 -2.762 0.376 1.00 0.00 H new ATOM 316 N THR A 22 -9.928 -7.005 3.587 1.00 0.00 N ATOM 317 CA THR A 22 -10.513 -8.233 4.097 1.00 0.00 C ATOM 318 C THR A 22 -11.869 -7.949 4.743 1.00 0.00 C ATOM 319 O THR A 22 -12.239 -6.789 4.927 1.00 0.00 O ATOM 320 CB THR A 22 -9.534 -8.881 5.084 1.00 0.00 C ATOM 321 OG1 THR A 22 -8.218 -8.759 4.600 1.00 0.00 O ATOM 322 CG2 THR A 22 -9.827 -10.367 5.268 1.00 0.00 C ATOM 0 H THR A 22 -9.088 -6.705 4.082 1.00 0.00 H new ATOM 0 HA THR A 22 -10.689 -8.930 3.278 1.00 0.00 H new ATOM 0 HB THR A 22 -9.649 -8.369 6.039 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.596 -9.173 5.235 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.114 -10.794 5.974 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.839 -10.493 5.653 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.737 -10.877 4.309 1.00 0.00 H new ATOM 329 N TYR A 23 -12.608 -9.002 5.093 1.00 0.00 N ATOM 330 CA TYR A 23 -13.932 -8.907 5.699 1.00 0.00 C ATOM 331 C TYR A 23 -13.917 -8.212 7.068 1.00 0.00 C ATOM 332 O TYR A 23 -14.959 -8.117 7.715 1.00 0.00 O ATOM 333 CB TYR A 23 -14.519 -10.313 5.832 1.00 0.00 C ATOM 334 CG TYR A 23 -13.717 -11.228 6.733 1.00 0.00 C ATOM 335 CD1 TYR A 23 -13.938 -11.213 8.119 1.00 0.00 C ATOM 336 CD2 TYR A 23 -12.750 -12.084 6.188 1.00 0.00 C ATOM 337 CE1 TYR A 23 -13.195 -12.052 8.958 1.00 0.00 C ATOM 338 CE2 TYR A 23 -12.000 -12.926 7.026 1.00 0.00 C ATOM 339 CZ TYR A 23 -12.222 -12.914 8.417 1.00 0.00 C ATOM 340 OH TYR A 23 -11.490 -13.728 9.230 1.00 0.00 O ATOM 0 H TYR A 23 -12.295 -9.963 4.960 1.00 0.00 H new ATOM 0 HA TYR A 23 -14.550 -8.291 5.046 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -15.535 -10.237 6.219 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -14.588 -10.763 4.842 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -14.683 -10.553 8.539 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -12.581 -12.096 5.121 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -13.369 -12.038 10.024 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.253 -13.582 6.604 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.866 -14.256 8.689 1.00 0.00 H new ATOM 350 N ARG A 24 -12.756 -7.725 7.522 1.00 0.00 N ATOM 351 CA ARG A 24 -12.599 -7.124 8.841 1.00 0.00 C ATOM 352 C ARG A 24 -11.809 -5.815 8.780 1.00 0.00 C ATOM 353 O ARG A 24 -11.364 -5.322 9.814 1.00 0.00 O ATOM 354 CB ARG A 24 -11.910 -8.145 9.751 1.00 0.00 C ATOM 355 CG ARG A 24 -10.434 -8.292 9.374 1.00 0.00 C ATOM 356 CD ARG A 24 -9.839 -9.518 10.047 1.00 0.00 C ATOM 357 NE ARG A 24 -8.371 -9.464 10.018 1.00 0.00 N ATOM 358 CZ ARG A 24 -7.593 -10.131 9.162 1.00 0.00 C ATOM 359 NH1 ARG A 24 -8.109 -10.945 8.248 1.00 0.00 N ATOM 360 NH2 ARG A 24 -6.273 -9.993 9.208 1.00 0.00 N ATOM 0 H ARG A 24 -11.895 -7.740 6.975 1.00 0.00 H new ATOM 0 HA ARG A 24 -13.580 -6.869 9.241 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -11.996 -7.830 10.791 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -12.410 -9.110 9.668 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -10.335 -8.378 8.292 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -9.884 -7.400 9.675 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -10.186 -9.577 11.079 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -10.185 -10.420 9.542 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.909 -8.870 10.707 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.120 -11.071 8.190 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.495 -11.444 7.605 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.849 -9.375 9.900 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.684 -10.505 8.552 1.00 0.00 H new ATOM 374 N THR A 25 -11.635 -5.255 7.579 1.00 0.00 N ATOM 375 CA THR A 25 -10.780 -4.089 7.381 1.00 0.00 C ATOM 376 C THR A 25 -11.595 -2.861 6.973 1.00 0.00 C ATOM 377 O THR A 25 -12.759 -2.972 6.592 1.00 0.00 O ATOM 378 CB THR A 25 -9.702 -4.419 6.339 1.00 0.00 C ATOM 379 OG1 THR A 25 -9.282 -5.757 6.484 1.00 0.00 O ATOM 380 CG2 THR A 25 -8.469 -3.532 6.506 1.00 0.00 C ATOM 0 H THR A 25 -12.080 -5.596 6.727 1.00 0.00 H new ATOM 0 HA THR A 25 -10.294 -3.843 8.325 1.00 0.00 H new ATOM 0 HB THR A 25 -10.145 -4.250 5.358 1.00 0.00 H new ATOM 0 HG1 THR A 25 -8.491 -5.914 5.928 1.00 0.00 H new ATOM 0 HG21 THR A 25 -7.727 -3.794 5.751 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.754 -2.487 6.387 1.00 0.00 H new ATOM 0 HG23 THR A 25 -8.045 -3.682 7.499 1.00 0.00 H new ATOM 387 N SER A 26 -10.971 -1.681 7.056 1.00 0.00 N ATOM 388 CA SER A 26 -11.603 -0.393 6.808 1.00 0.00 C ATOM 389 C SER A 26 -10.545 0.585 6.286 1.00 0.00 C ATOM 390 O SER A 26 -9.353 0.284 6.357 1.00 0.00 O ATOM 391 CB SER A 26 -12.185 0.091 8.139 1.00 0.00 C ATOM 392 OG SER A 26 -11.137 0.385 9.045 1.00 0.00 O ATOM 0 H SER A 26 -9.985 -1.600 7.305 1.00 0.00 H new ATOM 0 HA SER A 26 -12.396 -0.467 6.064 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.797 0.978 7.977 1.00 0.00 H new ATOM 0 HB3 SER A 26 -12.838 -0.674 8.560 1.00 0.00 H new ATOM 0 HG SER A 26 -11.516 0.695 9.894 1.00 0.00 H new ATOM 398 N PRO A 27 -10.935 1.754 5.761 1.00 0.00 N ATOM 399 CA PRO A 27 -9.989 2.712 5.210 1.00 0.00 C ATOM 400 C PRO A 27 -9.148 3.336 6.316 1.00 0.00 C ATOM 401 O PRO A 27 -7.969 3.621 6.117 1.00 0.00 O ATOM 402 CB PRO A 27 -10.843 3.769 4.512 1.00 0.00 C ATOM 403 CG PRO A 27 -12.156 3.723 5.289 1.00 0.00 C ATOM 404 CD PRO A 27 -12.298 2.244 5.645 1.00 0.00 C ATOM 0 HA PRO A 27 -9.289 2.240 4.520 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -10.381 4.755 4.559 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -10.990 3.536 3.457 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -12.119 4.350 6.180 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -12.993 4.074 4.686 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.845 2.113 6.578 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.848 1.703 4.875 1.00 0.00 H new ATOM 412 N ASP A 28 -9.738 3.550 7.489 1.00 0.00 N ATOM 413 CA ASP A 28 -9.013 4.120 8.611 1.00 0.00 C ATOM 414 C ASP A 28 -7.856 3.198 9.006 1.00 0.00 C ATOM 415 O ASP A 28 -6.779 3.657 9.393 1.00 0.00 O ATOM 416 CB ASP A 28 -9.983 4.313 9.778 1.00 0.00 C ATOM 417 CG ASP A 28 -10.974 5.434 9.481 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.595 6.610 9.673 1.00 0.00 O ATOM 419 OD2 ASP A 28 -12.109 5.108 9.062 1.00 0.00 O ATOM 0 H ASP A 28 -10.716 3.336 7.683 1.00 0.00 H new ATOM 0 HA ASP A 28 -8.592 5.087 8.335 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -10.523 3.385 9.965 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.425 4.546 10.685 1.00 0.00 H new ATOM 424 N THR A 29 -8.084 1.885 8.901 1.00 0.00 N ATOM 425 CA THR A 29 -7.044 0.918 9.196 1.00 0.00 C ATOM 426 C THR A 29 -6.003 0.958 8.087 1.00 0.00 C ATOM 427 O THR A 29 -4.809 0.952 8.362 1.00 0.00 O ATOM 428 CB THR A 29 -7.638 -0.485 9.315 1.00 0.00 C ATOM 429 OG1 THR A 29 -8.584 -0.520 10.360 1.00 0.00 O ATOM 430 CG2 THR A 29 -6.514 -1.472 9.627 1.00 0.00 C ATOM 0 H THR A 29 -8.975 1.478 8.616 1.00 0.00 H new ATOM 0 HA THR A 29 -6.575 1.169 10.147 1.00 0.00 H new ATOM 0 HB THR A 29 -8.128 -0.752 8.378 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.461 -0.250 10.016 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.926 -2.477 9.714 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.777 -1.450 8.824 1.00 0.00 H new ATOM 0 HG23 THR A 29 -6.035 -1.193 10.566 1.00 0.00 H new ATOM 437 N LEU A 30 -6.442 1.002 6.831 1.00 0.00 N ATOM 438 CA LEU A 30 -5.536 1.032 5.693 1.00 0.00 C ATOM 439 C LEU A 30 -4.537 2.177 5.802 1.00 0.00 C ATOM 440 O LEU A 30 -3.458 2.120 5.216 1.00 0.00 O ATOM 441 CB LEU A 30 -6.359 1.153 4.406 1.00 0.00 C ATOM 442 CG LEU A 30 -6.179 -0.034 3.457 1.00 0.00 C ATOM 443 CD1 LEU A 30 -4.751 -0.131 2.936 1.00 0.00 C ATOM 444 CD2 LEU A 30 -6.519 -1.342 4.166 1.00 0.00 C ATOM 0 H LEU A 30 -7.430 1.018 6.578 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.960 0.107 5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.414 1.245 4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.077 2.069 3.888 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.854 0.130 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.665 -0.986 2.266 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.499 0.781 2.395 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.066 -0.257 3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.385 -2.175 3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.860 -1.472 5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.555 -1.314 4.505 1.00 0.00 H new ATOM 456 N ARG A 31 -4.890 3.220 6.555 1.00 0.00 N ATOM 457 CA ARG A 31 -4.014 4.368 6.722 1.00 0.00 C ATOM 458 C ARG A 31 -2.934 4.043 7.732 1.00 0.00 C ATOM 459 O ARG A 31 -1.757 4.149 7.407 1.00 0.00 O ATOM 460 CB ARG A 31 -4.832 5.570 7.195 1.00 0.00 C ATOM 461 CG ARG A 31 -3.942 6.795 7.447 1.00 0.00 C ATOM 462 CD ARG A 31 -3.095 7.173 6.226 1.00 0.00 C ATOM 463 NE ARG A 31 -2.221 8.313 6.535 1.00 0.00 N ATOM 464 CZ ARG A 31 -2.064 9.400 5.775 1.00 0.00 C ATOM 465 NH1 ARG A 31 -2.739 9.555 4.638 1.00 0.00 N ATOM 466 NH2 ARG A 31 -1.212 10.345 6.165 1.00 0.00 N ATOM 0 H ARG A 31 -5.776 3.288 7.056 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.544 4.610 5.768 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.586 5.815 6.447 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -5.364 5.311 8.111 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.568 7.642 7.726 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.284 6.593 8.292 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.492 6.319 5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.746 7.424 5.389 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.689 8.271 7.404 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.393 8.835 4.331 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.602 10.394 4.074 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.689 10.234 7.034 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.081 11.181 5.595 1.00 0.00 H new ATOM 480 N ARG A 32 -3.309 3.647 8.953 1.00 0.00 N ATOM 481 CA ARG A 32 -2.307 3.353 9.972 1.00 0.00 C ATOM 482 C ARG A 32 -1.451 2.141 9.594 1.00 0.00 C ATOM 483 O ARG A 32 -0.353 1.983 10.118 1.00 0.00 O ATOM 484 CB ARG A 32 -2.997 3.107 11.311 1.00 0.00 C ATOM 485 CG ARG A 32 -3.999 1.961 11.172 1.00 0.00 C ATOM 486 CD ARG A 32 -4.395 1.401 12.529 1.00 0.00 C ATOM 487 NE ARG A 32 -5.083 2.408 13.349 1.00 0.00 N ATOM 488 CZ ARG A 32 -5.463 2.213 14.615 1.00 0.00 C ATOM 489 NH1 ARG A 32 -5.238 1.049 15.221 1.00 0.00 N ATOM 490 NH2 ARG A 32 -6.075 3.186 15.286 1.00 0.00 N ATOM 0 H ARG A 32 -4.277 3.526 9.251 1.00 0.00 H new ATOM 0 HA ARG A 32 -1.643 4.214 10.050 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -2.257 2.865 12.073 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.508 4.012 11.639 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -4.888 2.315 10.649 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.565 1.168 10.562 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.045 0.537 12.391 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -3.505 1.050 13.052 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.283 3.314 12.925 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.771 0.294 14.718 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -5.533 0.912 16.188 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.255 4.082 14.834 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -6.364 3.035 16.252 1.00 0.00 H new ATOM 504 N VAL A 33 -1.950 1.294 8.687 1.00 0.00 N ATOM 505 CA VAL A 33 -1.259 0.070 8.305 1.00 0.00 C ATOM 506 C VAL A 33 -0.222 0.326 7.215 1.00 0.00 C ATOM 507 O VAL A 33 0.798 -0.356 7.182 1.00 0.00 O ATOM 508 CB VAL A 33 -2.292 -0.952 7.826 1.00 0.00 C ATOM 509 CG1 VAL A 33 -1.632 -2.165 7.173 1.00 0.00 C ATOM 510 CG2 VAL A 33 -3.107 -1.443 9.015 1.00 0.00 C ATOM 0 H VAL A 33 -2.836 1.441 8.204 1.00 0.00 H new ATOM 0 HA VAL A 33 -0.725 -0.316 9.173 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.924 -0.456 7.089 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.401 -2.866 6.847 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.047 -1.841 6.312 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.977 -2.654 7.893 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.844 -2.171 8.675 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.444 -1.910 9.743 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.618 -0.599 9.479 1.00 0.00 H new ATOM 520 N PHE A 34 -0.468 1.291 6.327 1.00 0.00 N ATOM 521 CA PHE A 34 0.441 1.616 5.238 1.00 0.00 C ATOM 522 C PHE A 34 1.194 2.927 5.482 1.00 0.00 C ATOM 523 O PHE A 34 2.104 3.259 4.723 1.00 0.00 O ATOM 524 CB PHE A 34 -0.349 1.620 3.925 1.00 0.00 C ATOM 525 CG PHE A 34 -0.531 0.229 3.347 1.00 0.00 C ATOM 526 CD1 PHE A 34 -1.570 -0.587 3.808 1.00 0.00 C ATOM 527 CD2 PHE A 34 0.339 -0.248 2.351 1.00 0.00 C ATOM 528 CE1 PHE A 34 -1.743 -1.876 3.274 1.00 0.00 C ATOM 529 CE2 PHE A 34 0.167 -1.533 1.818 1.00 0.00 C ATOM 530 CZ PHE A 34 -0.877 -2.346 2.275 1.00 0.00 C ATOM 0 H PHE A 34 -1.308 1.869 6.347 1.00 0.00 H new ATOM 0 HA PHE A 34 1.218 0.854 5.177 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.327 2.069 4.096 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.167 2.247 3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.240 -0.226 4.575 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.143 0.378 1.995 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.544 -2.505 3.633 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.840 -1.896 1.055 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.016 -3.333 1.859 1.00 0.00 H new ATOM 540 N GLU A 35 0.834 3.677 6.527 1.00 0.00 N ATOM 541 CA GLU A 35 1.539 4.900 6.885 1.00 0.00 C ATOM 542 C GLU A 35 2.866 4.589 7.581 1.00 0.00 C ATOM 543 O GLU A 35 3.786 5.398 7.524 1.00 0.00 O ATOM 544 CB GLU A 35 0.631 5.739 7.793 1.00 0.00 C ATOM 545 CG GLU A 35 1.331 6.991 8.321 1.00 0.00 C ATOM 546 CD GLU A 35 0.354 7.908 9.057 1.00 0.00 C ATOM 547 OE1 GLU A 35 0.169 7.697 10.279 1.00 0.00 O ATOM 548 OE2 GLU A 35 -0.205 8.810 8.394 1.00 0.00 O ATOM 0 H GLU A 35 0.051 3.452 7.141 1.00 0.00 H new ATOM 0 HA GLU A 35 1.775 5.460 5.980 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.261 6.031 7.240 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.300 5.130 8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.138 6.702 8.994 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.786 7.532 7.492 1.00 0.00 H new ATOM 555 N LYS A 36 2.980 3.427 8.237 1.00 0.00 N ATOM 556 CA LYS A 36 4.192 3.068 8.961 1.00 0.00 C ATOM 557 C LYS A 36 5.372 2.831 8.028 1.00 0.00 C ATOM 558 O LYS A 36 6.524 2.955 8.447 1.00 0.00 O ATOM 559 CB LYS A 36 3.936 1.834 9.829 1.00 0.00 C ATOM 560 CG LYS A 36 3.600 0.591 8.998 1.00 0.00 C ATOM 561 CD LYS A 36 3.352 -0.598 9.931 1.00 0.00 C ATOM 562 CE LYS A 36 3.065 -1.854 9.112 1.00 0.00 C ATOM 563 NZ LYS A 36 2.863 -3.024 9.989 1.00 0.00 N ATOM 0 H LYS A 36 2.243 2.723 8.277 1.00 0.00 H new ATOM 0 HA LYS A 36 4.456 3.911 9.600 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.818 1.633 10.438 1.00 0.00 H new ATOM 0 HB3 LYS A 36 3.115 2.041 10.516 1.00 0.00 H new ATOM 0 HG2 LYS A 36 2.717 0.777 8.387 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.419 0.366 8.315 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.223 -0.760 10.567 1.00 0.00 H new ATOM 0 HD3 LYS A 36 2.511 -0.384 10.591 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.178 -1.697 8.499 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.894 -2.045 8.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.670 -3.864 9.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 3.720 -3.185 10.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.057 -2.848 10.622 1.00 0.00 H new ATOM 577 N TYR A 37 5.098 2.495 6.766 1.00 0.00 N ATOM 578 CA TYR A 37 6.135 2.291 5.764 1.00 0.00 C ATOM 579 C TYR A 37 6.744 3.616 5.310 1.00 0.00 C ATOM 580 O TYR A 37 7.831 3.622 4.735 1.00 0.00 O ATOM 581 CB TYR A 37 5.553 1.533 4.573 1.00 0.00 C ATOM 582 CG TYR A 37 5.151 0.122 4.923 1.00 0.00 C ATOM 583 CD1 TYR A 37 3.905 -0.130 5.516 1.00 0.00 C ATOM 584 CD2 TYR A 37 6.027 -0.942 4.660 1.00 0.00 C ATOM 585 CE1 TYR A 37 3.544 -1.436 5.864 1.00 0.00 C ATOM 586 CE2 TYR A 37 5.667 -2.254 4.995 1.00 0.00 C ATOM 587 CZ TYR A 37 4.424 -2.507 5.612 1.00 0.00 C ATOM 588 OH TYR A 37 4.082 -3.780 5.957 1.00 0.00 O ATOM 0 H TYR A 37 4.150 2.358 6.414 1.00 0.00 H new ATOM 0 HA TYR A 37 6.935 1.702 6.212 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.684 2.071 4.194 1.00 0.00 H new ATOM 0 HB3 TYR A 37 6.288 1.508 3.769 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.223 0.686 5.704 1.00 0.00 H new ATOM 0 HD2 TYR A 37 6.983 -0.749 4.197 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.587 -1.624 6.328 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.340 -3.071 4.781 1.00 0.00 H new ATOM 0 HH TYR A 37 4.806 -4.392 5.709 1.00 0.00 H new ATOM 598 N GLY A 38 6.061 4.736 5.564 1.00 0.00 N ATOM 599 CA GLY A 38 6.596 6.051 5.246 1.00 0.00 C ATOM 600 C GLY A 38 5.513 7.121 5.279 1.00 0.00 C ATOM 601 O GLY A 38 5.364 7.820 6.278 1.00 0.00 O ATOM 0 H GLY A 38 5.134 4.752 5.990 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.382 6.306 5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.055 6.028 4.258 1.00 0.00 H new ATOM 605 N ARG A 39 4.757 7.242 4.182 1.00 0.00 N ATOM 606 CA ARG A 39 3.638 8.172 4.083 1.00 0.00 C ATOM 607 C ARG A 39 2.676 7.744 2.986 1.00 0.00 C ATOM 608 O ARG A 39 3.015 6.938 2.123 1.00 0.00 O ATOM 609 CB ARG A 39 4.149 9.597 3.848 1.00 0.00 C ATOM 610 CG ARG A 39 5.151 9.680 2.697 1.00 0.00 C ATOM 611 CD ARG A 39 5.491 11.146 2.434 1.00 0.00 C ATOM 612 NE ARG A 39 6.237 11.728 3.556 1.00 0.00 N ATOM 613 CZ ARG A 39 7.563 11.622 3.708 1.00 0.00 C ATOM 614 NH1 ARG A 39 8.304 10.972 2.819 1.00 0.00 N ATOM 615 NH2 ARG A 39 8.155 12.179 4.762 1.00 0.00 N ATOM 0 H ARG A 39 4.909 6.692 3.336 1.00 0.00 H new ATOM 0 HA ARG A 39 3.091 8.159 5.026 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.304 10.252 3.637 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.618 9.966 4.760 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.055 9.123 2.944 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.732 9.225 1.800 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.081 11.227 1.521 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.573 11.711 2.272 1.00 0.00 H new ATOM 0 HE ARG A 39 5.714 12.245 4.263 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.864 10.544 2.004 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.313 10.901 2.950 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.599 12.685 5.451 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.165 12.100 4.881 1.00 0.00 H new ATOM 629 N VAL A 40 1.465 8.300 3.036 1.00 0.00 N ATOM 630 CA VAL A 40 0.377 7.967 2.129 1.00 0.00 C ATOM 631 C VAL A 40 -0.274 9.266 1.677 1.00 0.00 C ATOM 632 O VAL A 40 -0.438 10.189 2.474 1.00 0.00 O ATOM 633 CB VAL A 40 -0.630 7.075 2.868 1.00 0.00 C ATOM 634 CG1 VAL A 40 -1.800 6.686 1.971 1.00 0.00 C ATOM 635 CG2 VAL A 40 0.042 5.788 3.347 1.00 0.00 C ATOM 0 H VAL A 40 1.212 9.009 3.724 1.00 0.00 H new ATOM 0 HA VAL A 40 0.740 7.425 1.256 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.998 7.653 3.716 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.492 6.055 2.529 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -2.318 7.585 1.638 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.428 6.139 1.104 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.688 5.169 3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.435 5.242 2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.859 6.035 4.025 1.00 0.00 H new ATOM 645 N GLY A 41 -0.644 9.344 0.400 1.00 0.00 N ATOM 646 CA GLY A 41 -1.247 10.548 -0.153 1.00 0.00 C ATOM 647 C GLY A 41 -2.763 10.435 -0.161 1.00 0.00 C ATOM 648 O GLY A 41 -3.447 11.456 -0.207 1.00 0.00 O ATOM 0 H GLY A 41 -0.535 8.583 -0.270 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.945 11.415 0.435 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.884 10.709 -1.168 1.00 0.00 H new ATOM 652 N ASP A 42 -3.294 9.212 -0.116 1.00 0.00 N ATOM 653 CA ASP A 42 -4.732 9.021 -0.062 1.00 0.00 C ATOM 654 C ASP A 42 -5.097 7.624 0.422 1.00 0.00 C ATOM 655 O ASP A 42 -4.300 6.701 0.289 1.00 0.00 O ATOM 656 CB ASP A 42 -5.293 9.238 -1.472 1.00 0.00 C ATOM 657 CG ASP A 42 -6.813 9.261 -1.485 1.00 0.00 C ATOM 658 OD1 ASP A 42 -7.392 9.650 -0.448 1.00 0.00 O ATOM 659 OD2 ASP A 42 -7.387 8.893 -2.531 1.00 0.00 O ATOM 0 H ASP A 42 -2.749 8.350 -0.116 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.158 9.733 0.645 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.913 10.178 -1.872 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.937 8.445 -2.129 1.00 0.00 H new ATOM 664 N VAL A 43 -6.308 7.499 0.977 1.00 0.00 N ATOM 665 CA VAL A 43 -6.967 6.251 1.357 1.00 0.00 C ATOM 666 C VAL A 43 -8.455 6.510 1.140 1.00 0.00 C ATOM 667 O VAL A 43 -8.986 7.478 1.682 1.00 0.00 O ATOM 668 CB VAL A 43 -6.692 5.889 2.823 1.00 0.00 C ATOM 669 CG1 VAL A 43 -7.397 4.583 3.163 1.00 0.00 C ATOM 670 CG2 VAL A 43 -5.203 5.729 3.124 1.00 0.00 C ATOM 0 H VAL A 43 -6.885 8.315 1.183 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.599 5.411 0.768 1.00 0.00 H new ATOM 0 HB VAL A 43 -7.069 6.713 3.429 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.202 4.325 4.204 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.470 4.699 3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.024 3.789 2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -5.070 5.473 4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -4.789 4.935 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.686 6.664 2.910 1.00 0.00 H new ATOM 680 N TYR A 44 -9.140 5.673 0.357 1.00 0.00 N ATOM 681 CA TYR A 44 -10.459 6.043 -0.117 1.00 0.00 C ATOM 682 C TYR A 44 -11.323 4.840 -0.515 1.00 0.00 C ATOM 683 O TYR A 44 -10.798 3.797 -0.902 1.00 0.00 O ATOM 684 CB TYR A 44 -10.143 6.911 -1.332 1.00 0.00 C ATOM 685 CG TYR A 44 -11.242 7.751 -1.903 1.00 0.00 C ATOM 686 CD1 TYR A 44 -12.393 8.062 -1.164 1.00 0.00 C ATOM 687 CD2 TYR A 44 -11.080 8.232 -3.205 1.00 0.00 C ATOM 688 CE1 TYR A 44 -13.399 8.836 -1.750 1.00 0.00 C ATOM 689 CE2 TYR A 44 -12.070 9.024 -3.795 1.00 0.00 C ATOM 690 CZ TYR A 44 -13.227 9.345 -3.052 1.00 0.00 C ATOM 691 OH TYR A 44 -14.186 10.144 -3.587 1.00 0.00 O ATOM 0 H TYR A 44 -8.807 4.759 0.049 1.00 0.00 H new ATOM 0 HA TYR A 44 -11.045 6.542 0.655 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -9.321 7.575 -1.063 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.778 6.257 -2.124 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.501 7.706 -0.150 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -10.185 7.991 -3.759 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -14.308 9.044 -1.205 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -11.951 9.385 -4.806 1.00 0.00 H new ATOM 0 HH TYR A 44 -13.934 11.083 -3.466 1.00 0.00 H new ATOM 701 N ILE A 45 -12.652 4.993 -0.417 1.00 0.00 N ATOM 702 CA ILE A 45 -13.628 3.947 -0.737 1.00 0.00 C ATOM 703 C ILE A 45 -14.795 4.564 -1.521 1.00 0.00 C ATOM 704 O ILE A 45 -15.906 4.708 -1.011 1.00 0.00 O ATOM 705 CB ILE A 45 -14.076 3.212 0.538 1.00 0.00 C ATOM 706 CG1 ILE A 45 -12.827 2.699 1.266 1.00 0.00 C ATOM 707 CG2 ILE A 45 -14.982 2.020 0.217 1.00 0.00 C ATOM 708 CD1 ILE A 45 -13.147 1.684 2.359 1.00 0.00 C ATOM 0 H ILE A 45 -13.084 5.864 -0.107 1.00 0.00 H new ATOM 0 HA ILE A 45 -13.170 3.190 -1.374 1.00 0.00 H new ATOM 0 HB ILE A 45 -14.640 3.909 1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -12.153 2.243 0.541 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -12.298 3.544 1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -15.277 1.527 1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -15.871 2.370 -0.307 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -14.443 1.313 -0.414 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -12.222 1.360 2.836 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -13.798 2.144 3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -13.650 0.823 1.920 1.00 0.00 H new ATOM 720 N PRO A 46 -14.518 4.936 -2.779 1.00 0.00 N ATOM 721 CA PRO A 46 -15.354 5.760 -3.643 1.00 0.00 C ATOM 722 C PRO A 46 -16.328 5.051 -4.589 1.00 0.00 C ATOM 723 O PRO A 46 -17.111 5.749 -5.233 1.00 0.00 O ATOM 724 CB PRO A 46 -14.328 6.433 -4.544 1.00 0.00 C ATOM 725 CG PRO A 46 -13.324 5.310 -4.781 1.00 0.00 C ATOM 726 CD PRO A 46 -13.259 4.627 -3.428 1.00 0.00 C ATOM 0 HA PRO A 46 -15.990 6.370 -3.002 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.772 6.786 -5.475 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -13.868 7.296 -4.063 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.657 4.628 -5.563 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.351 5.695 -5.087 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.127 3.551 -3.537 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -12.415 4.993 -2.843 1.00 0.00 H new ATOM 734 N ARG A 47 -16.309 3.716 -4.705 1.00 0.00 N ATOM 735 CA ARG A 47 -17.105 3.032 -5.729 1.00 0.00 C ATOM 736 C ARG A 47 -18.558 3.518 -5.745 1.00 0.00 C ATOM 737 O ARG A 47 -19.160 3.629 -6.811 1.00 0.00 O ATOM 738 CB ARG A 47 -16.985 1.514 -5.562 1.00 0.00 C ATOM 739 CG ARG A 47 -17.863 0.724 -6.536 1.00 0.00 C ATOM 740 CD ARG A 47 -17.734 1.164 -8.003 1.00 0.00 C ATOM 741 NE ARG A 47 -16.389 0.960 -8.550 1.00 0.00 N ATOM 742 CZ ARG A 47 -16.118 1.048 -9.854 1.00 0.00 C ATOM 743 NH1 ARG A 47 -17.080 1.330 -10.731 1.00 0.00 N ATOM 744 NH2 ARG A 47 -14.882 0.858 -10.293 1.00 0.00 N ATOM 0 H ARG A 47 -15.758 3.097 -4.110 1.00 0.00 H new ATOM 0 HA ARG A 47 -16.703 3.287 -6.709 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -15.945 1.222 -5.703 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -17.256 1.246 -4.541 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -17.607 -0.333 -6.462 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -18.904 0.822 -6.230 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -18.453 0.610 -8.607 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -17.996 2.219 -8.084 1.00 0.00 H new ATOM 0 HE ARG A 47 -15.628 0.742 -7.907 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -18.036 1.481 -10.408 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -16.861 1.395 -11.725 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -14.134 0.644 -9.634 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.679 0.926 -11.290 1.00 0.00 H new ATOM 758 N ASP A 48 -19.123 3.817 -4.577 1.00 0.00 N ATOM 759 CA ASP A 48 -20.394 4.506 -4.477 1.00 0.00 C ATOM 760 C ASP A 48 -20.291 5.413 -3.264 1.00 0.00 C ATOM 761 O ASP A 48 -20.411 4.959 -2.126 1.00 0.00 O ATOM 762 CB ASP A 48 -21.553 3.531 -4.358 1.00 0.00 C ATOM 763 CG ASP A 48 -21.774 2.725 -5.634 1.00 0.00 C ATOM 764 OD1 ASP A 48 -22.368 3.293 -6.578 1.00 0.00 O ATOM 765 OD2 ASP A 48 -21.348 1.550 -5.658 1.00 0.00 O ATOM 0 H ASP A 48 -18.706 3.585 -3.675 1.00 0.00 H new ATOM 0 HA ASP A 48 -20.597 5.085 -5.378 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.365 2.848 -3.529 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -22.463 4.081 -4.118 1.00 0.00 H new ATOM 770 N ARG A 49 -20.060 6.699 -3.533 1.00 0.00 N ATOM 771 CA ARG A 49 -19.701 7.721 -2.558 1.00 0.00 C ATOM 772 C ARG A 49 -20.759 7.981 -1.473 1.00 0.00 C ATOM 773 O ARG A 49 -20.622 8.934 -0.711 1.00 0.00 O ATOM 774 CB ARG A 49 -19.326 8.977 -3.351 1.00 0.00 C ATOM 775 CG ARG A 49 -20.528 9.762 -3.857 1.00 0.00 C ATOM 776 CD ARG A 49 -20.073 10.879 -4.792 1.00 0.00 C ATOM 777 NE ARG A 49 -21.150 11.855 -4.988 1.00 0.00 N ATOM 778 CZ ARG A 49 -20.961 13.166 -5.146 1.00 0.00 C ATOM 779 NH1 ARG A 49 -19.734 13.679 -5.204 1.00 0.00 N ATOM 780 NH2 ARG A 49 -22.012 13.978 -5.247 1.00 0.00 N ATOM 0 H ARG A 49 -20.122 7.070 -4.481 1.00 0.00 H new ATOM 0 HA ARG A 49 -18.855 7.368 -1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -18.718 9.626 -2.721 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -18.708 8.688 -4.201 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -21.212 9.095 -4.381 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -21.077 10.184 -3.015 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -19.196 11.375 -4.376 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -19.776 10.459 -5.753 1.00 0.00 H new ATOM 0 HE ARG A 49 -22.109 11.508 -5.005 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -18.921 13.067 -5.127 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -19.606 14.684 -5.325 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -22.957 13.597 -5.203 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -21.872 14.981 -5.368 1.00 0.00 H new ATOM 794 N TYR A 50 -21.803 7.150 -1.405 1.00 0.00 N ATOM 795 CA TYR A 50 -22.887 7.266 -0.431 1.00 0.00 C ATOM 796 C TYR A 50 -23.513 5.907 -0.093 1.00 0.00 C ATOM 797 O TYR A 50 -24.507 5.867 0.629 1.00 0.00 O ATOM 798 CB TYR A 50 -23.949 8.206 -1.002 1.00 0.00 C ATOM 799 CG TYR A 50 -24.260 7.867 -2.437 1.00 0.00 C ATOM 800 CD1 TYR A 50 -25.206 6.886 -2.748 1.00 0.00 C ATOM 801 CD2 TYR A 50 -23.558 8.522 -3.452 1.00 0.00 C ATOM 802 CE1 TYR A 50 -25.401 6.509 -4.085 1.00 0.00 C ATOM 803 CE2 TYR A 50 -23.725 8.141 -4.786 1.00 0.00 C ATOM 804 CZ TYR A 50 -24.655 7.132 -5.112 1.00 0.00 C ATOM 805 OH TYR A 50 -24.831 6.762 -6.412 1.00 0.00 O ATOM 0 H TYR A 50 -21.919 6.361 -2.041 1.00 0.00 H new ATOM 0 HA TYR A 50 -22.478 7.663 0.498 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -24.858 8.138 -0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -23.600 9.237 -0.936 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -25.784 6.421 -1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -22.882 9.327 -3.204 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -26.121 5.743 -4.330 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -23.145 8.617 -5.563 1.00 0.00 H new ATOM 0 HH TYR A 50 -24.240 7.292 -6.986 1.00 0.00 H new ATOM 815 N THR A 51 -22.956 4.797 -0.592 1.00 0.00 N ATOM 816 CA THR A 51 -23.450 3.463 -0.237 1.00 0.00 C ATOM 817 C THR A 51 -22.318 2.538 0.190 1.00 0.00 C ATOM 818 O THR A 51 -22.540 1.635 0.994 1.00 0.00 O ATOM 819 CB THR A 51 -24.211 2.792 -1.387 1.00 0.00 C ATOM 820 OG1 THR A 51 -23.300 2.306 -2.338 1.00 0.00 O ATOM 821 CG2 THR A 51 -25.148 3.752 -2.104 1.00 0.00 C ATOM 0 H THR A 51 -22.168 4.796 -1.239 1.00 0.00 H new ATOM 0 HA THR A 51 -24.134 3.621 0.597 1.00 0.00 H new ATOM 0 HB THR A 51 -24.799 1.989 -0.943 1.00 0.00 H new ATOM 0 HG1 THR A 51 -23.785 2.021 -3.140 1.00 0.00 H new ATOM 0 HG21 THR A 51 -25.662 3.226 -2.909 1.00 0.00 H new ATOM 0 HG22 THR A 51 -25.882 4.140 -1.398 1.00 0.00 H new ATOM 0 HG23 THR A 51 -24.573 4.579 -2.520 1.00 0.00 H new ATOM 828 N LYS A 52 -21.113 2.768 -0.344 1.00 0.00 N ATOM 829 CA LYS A 52 -19.902 2.005 -0.061 1.00 0.00 C ATOM 830 C LYS A 52 -20.122 0.488 -0.116 1.00 0.00 C ATOM 831 O LYS A 52 -19.371 -0.265 0.505 1.00 0.00 O ATOM 832 CB LYS A 52 -19.333 2.440 1.294 1.00 0.00 C ATOM 833 CG LYS A 52 -19.272 3.968 1.421 1.00 0.00 C ATOM 834 CD LYS A 52 -20.208 4.485 2.517 1.00 0.00 C ATOM 835 CE LYS A 52 -19.831 3.946 3.898 1.00 0.00 C ATOM 836 NZ LYS A 52 -18.502 4.431 4.324 1.00 0.00 N ATOM 0 H LYS A 52 -20.953 3.522 -1.012 1.00 0.00 H new ATOM 0 HA LYS A 52 -19.179 2.224 -0.847 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -19.950 2.033 2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -18.333 2.024 1.419 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -18.249 4.274 1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -19.542 4.423 0.468 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -20.179 5.574 2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -21.233 4.197 2.283 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -20.582 4.252 4.627 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -19.832 2.856 3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.342 4.175 5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -17.767 3.995 3.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -18.461 5.465 4.221 1.00 0.00 H new ATOM 850 N GLU A 53 -21.141 0.031 -0.847 1.00 0.00 N ATOM 851 CA GLU A 53 -21.504 -1.383 -0.938 1.00 0.00 C ATOM 852 C GLU A 53 -20.468 -2.233 -1.690 1.00 0.00 C ATOM 853 O GLU A 53 -20.742 -3.386 -2.024 1.00 0.00 O ATOM 854 CB GLU A 53 -22.888 -1.509 -1.574 1.00 0.00 C ATOM 855 CG GLU A 53 -22.916 -0.953 -2.997 1.00 0.00 C ATOM 856 CD GLU A 53 -24.302 -1.112 -3.621 1.00 0.00 C ATOM 857 OE1 GLU A 53 -24.573 -2.208 -4.168 1.00 0.00 O ATOM 858 OE2 GLU A 53 -25.087 -0.140 -3.545 1.00 0.00 O ATOM 0 H GLU A 53 -21.744 0.641 -1.399 1.00 0.00 H new ATOM 0 HA GLU A 53 -21.524 -1.781 0.076 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -23.186 -2.557 -1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -23.618 -0.978 -0.963 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -22.638 0.101 -2.985 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -22.177 -1.471 -3.608 1.00 0.00 H new ATOM 865 N SER A 54 -19.289 -1.670 -1.962 1.00 0.00 N ATOM 866 CA SER A 54 -18.209 -2.360 -2.667 1.00 0.00 C ATOM 867 C SER A 54 -16.890 -2.178 -1.919 1.00 0.00 C ATOM 868 O SER A 54 -15.817 -2.246 -2.515 1.00 0.00 O ATOM 869 CB SER A 54 -18.109 -1.834 -4.099 1.00 0.00 C ATOM 870 OG SER A 54 -19.327 -2.038 -4.786 1.00 0.00 O ATOM 0 H SER A 54 -19.056 -0.713 -1.696 1.00 0.00 H new ATOM 0 HA SER A 54 -18.427 -3.427 -2.707 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.865 -0.772 -4.087 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.299 -2.341 -4.624 1.00 0.00 H new ATOM 0 HG SER A 54 -19.248 -1.695 -5.701 1.00 0.00 H new ATOM 876 N ARG A 55 -16.977 -1.943 -0.605 1.00 0.00 N ATOM 877 CA ARG A 55 -15.854 -1.752 0.309 1.00 0.00 C ATOM 878 C ARG A 55 -14.863 -2.920 0.364 1.00 0.00 C ATOM 879 O ARG A 55 -13.975 -2.923 1.218 1.00 0.00 O ATOM 880 CB ARG A 55 -16.390 -1.391 1.702 1.00 0.00 C ATOM 881 CG ARG A 55 -17.420 -2.376 2.279 1.00 0.00 C ATOM 882 CD ARG A 55 -16.852 -3.768 2.559 1.00 0.00 C ATOM 883 NE ARG A 55 -15.745 -3.723 3.525 1.00 0.00 N ATOM 884 CZ ARG A 55 -14.830 -4.686 3.662 1.00 0.00 C ATOM 885 NH1 ARG A 55 -14.884 -5.791 2.923 1.00 0.00 N ATOM 886 NH2 ARG A 55 -13.847 -4.554 4.542 1.00 0.00 N ATOM 0 H ARG A 55 -17.878 -1.878 -0.131 1.00 0.00 H new ATOM 0 HA ARG A 55 -15.263 -0.927 -0.089 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -15.549 -1.323 2.392 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -16.844 -0.401 1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -17.823 -1.965 3.205 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -18.253 -2.467 1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -17.643 -4.413 2.943 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -16.503 -4.212 1.627 1.00 0.00 H new ATOM 0 HE ARG A 55 -15.671 -2.904 4.129 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -15.632 -5.912 2.240 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -14.178 -6.517 3.039 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.787 -3.714 5.118 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.150 -5.292 4.643 1.00 0.00 H new ATOM 900 N GLY A 56 -14.994 -3.910 -0.525 1.00 0.00 N ATOM 901 CA GLY A 56 -14.058 -5.024 -0.627 1.00 0.00 C ATOM 902 C GLY A 56 -12.642 -4.547 -0.953 1.00 0.00 C ATOM 903 O GLY A 56 -11.713 -5.350 -1.010 1.00 0.00 O ATOM 0 H GLY A 56 -15.760 -3.957 -1.197 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.048 -5.578 0.312 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -14.396 -5.714 -1.400 1.00 0.00 H new ATOM 907 N PHE A 57 -12.471 -3.240 -1.165 1.00 0.00 N ATOM 908 CA PHE A 57 -11.187 -2.608 -1.386 1.00 0.00 C ATOM 909 C PHE A 57 -11.261 -1.155 -0.928 1.00 0.00 C ATOM 910 O PHE A 57 -12.341 -0.631 -0.665 1.00 0.00 O ATOM 911 CB PHE A 57 -10.828 -2.665 -2.871 1.00 0.00 C ATOM 912 CG PHE A 57 -11.740 -1.842 -3.749 1.00 0.00 C ATOM 913 CD1 PHE A 57 -13.048 -2.282 -4.006 1.00 0.00 C ATOM 914 CD2 PHE A 57 -11.285 -0.635 -4.304 1.00 0.00 C ATOM 915 CE1 PHE A 57 -13.900 -1.525 -4.817 1.00 0.00 C ATOM 916 CE2 PHE A 57 -12.133 0.116 -5.130 1.00 0.00 C ATOM 917 CZ PHE A 57 -13.438 -0.331 -5.388 1.00 0.00 C ATOM 0 H PHE A 57 -13.250 -2.582 -1.186 1.00 0.00 H new ATOM 0 HA PHE A 57 -10.419 -3.133 -0.818 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -9.803 -2.318 -3.001 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -10.858 -3.703 -3.203 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.398 -3.209 -3.576 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -10.284 -0.286 -4.095 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.910 -1.859 -5.003 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -11.782 1.039 -5.568 1.00 0.00 H new ATOM 0 HZ PHE A 57 -14.088 0.247 -6.028 1.00 0.00 H new ATOM 927 N ALA A 58 -10.098 -0.508 -0.835 1.00 0.00 N ATOM 928 CA ALA A 58 -9.990 0.892 -0.477 1.00 0.00 C ATOM 929 C ALA A 58 -8.759 1.441 -1.182 1.00 0.00 C ATOM 930 O ALA A 58 -7.643 1.287 -0.698 1.00 0.00 O ATOM 931 CB ALA A 58 -9.875 1.050 1.046 1.00 0.00 C ATOM 0 H ALA A 58 -9.198 -0.955 -1.010 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.878 1.443 -0.786 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -9.795 2.108 1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.760 0.630 1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -8.988 0.525 1.400 1.00 0.00 H new ATOM 937 N PHE A 59 -8.973 2.082 -2.335 1.00 0.00 N ATOM 938 CA PHE A 59 -7.883 2.595 -3.145 1.00 0.00 C ATOM 939 C PHE A 59 -7.111 3.632 -2.334 1.00 0.00 C ATOM 940 O PHE A 59 -7.610 4.722 -2.066 1.00 0.00 O ATOM 941 CB PHE A 59 -8.435 3.185 -4.449 1.00 0.00 C ATOM 942 CG PHE A 59 -7.406 3.931 -5.273 1.00 0.00 C ATOM 943 CD1 PHE A 59 -7.182 5.292 -5.019 1.00 0.00 C ATOM 944 CD2 PHE A 59 -6.675 3.289 -6.289 1.00 0.00 C ATOM 945 CE1 PHE A 59 -6.226 6.001 -5.750 1.00 0.00 C ATOM 946 CE2 PHE A 59 -5.700 3.997 -7.008 1.00 0.00 C ATOM 947 CZ PHE A 59 -5.469 5.349 -6.733 1.00 0.00 C ATOM 0 H PHE A 59 -9.900 2.255 -2.723 1.00 0.00 H new ATOM 0 HA PHE A 59 -7.199 1.791 -3.416 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -8.853 2.379 -5.052 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -9.255 3.863 -4.211 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.753 5.795 -4.253 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.864 2.250 -6.516 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.070 7.052 -5.558 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -5.127 3.497 -7.775 1.00 0.00 H new ATOM 0 HZ PHE A 59 -4.709 5.889 -7.277 1.00 0.00 H new ATOM 957 N VAL A 60 -5.886 3.283 -1.940 1.00 0.00 N ATOM 958 CA VAL A 60 -4.986 4.232 -1.300 1.00 0.00 C ATOM 959 C VAL A 60 -3.904 4.583 -2.304 1.00 0.00 C ATOM 960 O VAL A 60 -3.826 3.927 -3.341 1.00 0.00 O ATOM 961 CB VAL A 60 -4.373 3.661 -0.015 1.00 0.00 C ATOM 962 CG1 VAL A 60 -5.371 2.767 0.714 1.00 0.00 C ATOM 963 CG2 VAL A 60 -3.079 2.899 -0.276 1.00 0.00 C ATOM 0 H VAL A 60 -5.497 2.347 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.541 5.122 -1.004 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.128 4.513 0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.912 2.374 1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.256 3.347 0.976 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.659 1.939 0.066 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.686 2.516 0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.277 2.067 -0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.347 3.569 -0.728 1.00 0.00 H new ATOM 973 N ARG A 61 -3.078 5.589 -2.016 1.00 0.00 N ATOM 974 CA ARG A 61 -1.989 5.924 -2.921 1.00 0.00 C ATOM 975 C ARG A 61 -0.744 6.388 -2.163 1.00 0.00 C ATOM 976 O ARG A 61 -0.867 7.034 -1.121 1.00 0.00 O ATOM 977 CB ARG A 61 -2.475 6.960 -3.947 1.00 0.00 C ATOM 978 CG ARG A 61 -2.171 8.401 -3.525 1.00 0.00 C ATOM 979 CD ARG A 61 -2.757 9.380 -4.541 1.00 0.00 C ATOM 980 NE ARG A 61 -2.277 9.080 -5.896 1.00 0.00 N ATOM 981 CZ ARG A 61 -3.079 8.837 -6.938 1.00 0.00 C ATOM 982 NH1 ARG A 61 -4.400 8.894 -6.812 1.00 0.00 N ATOM 983 NH2 ARG A 61 -2.560 8.537 -8.123 1.00 0.00 N ATOM 0 H ARG A 61 -3.142 6.172 -1.182 1.00 0.00 H new ATOM 0 HA ARG A 61 -1.688 5.027 -3.461 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.003 6.761 -4.909 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.550 6.847 -4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.590 8.595 -2.538 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.093 8.546 -3.448 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.845 9.327 -4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -2.481 10.399 -4.271 1.00 0.00 H new ATOM 0 HE ARG A 61 -1.269 9.055 -6.052 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -4.817 9.126 -5.910 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -4.998 8.706 -7.617 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.548 8.492 -8.240 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.174 8.352 -8.916 1.00 0.00 H new ATOM 997 N PHE A 62 0.437 6.060 -2.690 1.00 0.00 N ATOM 998 CA PHE A 62 1.715 6.491 -2.118 1.00 0.00 C ATOM 999 C PHE A 62 2.406 7.463 -3.065 1.00 0.00 C ATOM 1000 O PHE A 62 2.018 7.587 -4.223 1.00 0.00 O ATOM 1001 CB PHE A 62 2.668 5.312 -1.905 1.00 0.00 C ATOM 1002 CG PHE A 62 2.430 4.468 -0.676 1.00 0.00 C ATOM 1003 CD1 PHE A 62 1.301 3.639 -0.582 1.00 0.00 C ATOM 1004 CD2 PHE A 62 3.363 4.507 0.370 1.00 0.00 C ATOM 1005 CE1 PHE A 62 1.116 2.836 0.552 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.181 3.700 1.501 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.061 2.866 1.591 1.00 0.00 C ATOM 0 H PHE A 62 0.535 5.486 -3.528 1.00 0.00 H new ATOM 0 HA PHE A 62 1.491 6.959 -1.159 1.00 0.00 H new ATOM 0 HB2 PHE A 62 2.611 4.665 -2.780 1.00 0.00 H new ATOM 0 HB3 PHE A 62 3.686 5.699 -1.861 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.576 3.620 -1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.222 5.159 0.304 1.00 0.00 H new ATOM 0 HE1 PHE A 62 0.249 2.196 0.627 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.905 3.722 2.303 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.923 2.243 2.462 1.00 0.00 H new ATOM 1017 N HIS A 63 3.435 8.140 -2.552 1.00 0.00 N ATOM 1018 CA HIS A 63 4.187 9.118 -3.319 1.00 0.00 C ATOM 1019 C HIS A 63 5.683 8.837 -3.323 1.00 0.00 C ATOM 1020 O HIS A 63 6.358 9.154 -4.301 1.00 0.00 O ATOM 1021 CB HIS A 63 3.923 10.537 -2.809 1.00 0.00 C ATOM 1022 CG HIS A 63 3.175 10.712 -1.504 1.00 0.00 C ATOM 1023 ND1 HIS A 63 2.150 11.646 -1.335 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.367 10.043 -0.320 1.00 0.00 C ATOM 1025 CE1 HIS A 63 1.760 11.533 -0.060 1.00 0.00 C ATOM 1026 NE2 HIS A 63 2.463 10.579 0.572 1.00 0.00 N ATOM 0 H HIS A 63 3.765 8.022 -1.594 1.00 0.00 H new ATOM 0 HA HIS A 63 3.836 9.035 -4.348 1.00 0.00 H new ATOM 0 HB2 HIS A 63 4.886 11.037 -2.708 1.00 0.00 H new ATOM 0 HB3 HIS A 63 3.368 11.068 -3.582 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.081 9.256 -0.127 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.985 12.129 0.399 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.348 10.299 1.546 1.00 0.00 H new ATOM 1034 N ASP A 64 6.204 8.247 -2.251 1.00 0.00 N ATOM 1035 CA ASP A 64 7.602 7.866 -2.186 1.00 0.00 C ATOM 1036 C ASP A 64 7.803 6.529 -2.890 1.00 0.00 C ATOM 1037 O ASP A 64 7.135 5.553 -2.555 1.00 0.00 O ATOM 1038 CB ASP A 64 8.000 7.728 -0.718 1.00 0.00 C ATOM 1039 CG ASP A 64 8.430 9.071 -0.140 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.633 9.394 -0.281 1.00 0.00 O ATOM 1041 OD2 ASP A 64 7.561 9.764 0.432 1.00 0.00 O ATOM 0 H ASP A 64 5.670 8.023 -1.412 1.00 0.00 H new ATOM 0 HA ASP A 64 8.216 8.623 -2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.160 7.334 -0.145 1.00 0.00 H new ATOM 0 HB3 ASP A 64 8.815 7.010 -0.624 1.00 0.00 H new ATOM 1046 N LYS A 65 8.719 6.472 -3.861 1.00 0.00 N ATOM 1047 CA LYS A 65 9.015 5.229 -4.564 1.00 0.00 C ATOM 1048 C LYS A 65 9.533 4.192 -3.582 1.00 0.00 C ATOM 1049 O LYS A 65 8.990 3.094 -3.517 1.00 0.00 O ATOM 1050 CB LYS A 65 10.035 5.507 -5.672 1.00 0.00 C ATOM 1051 CG LYS A 65 10.664 4.235 -6.255 1.00 0.00 C ATOM 1052 CD LYS A 65 9.643 3.199 -6.742 1.00 0.00 C ATOM 1053 CE LYS A 65 8.660 3.765 -7.766 1.00 0.00 C ATOM 1054 NZ LYS A 65 9.345 4.209 -8.996 1.00 0.00 N ATOM 0 H LYS A 65 9.266 7.274 -4.175 1.00 0.00 H new ATOM 0 HA LYS A 65 8.108 4.833 -5.021 1.00 0.00 H new ATOM 0 HB2 LYS A 65 9.547 6.062 -6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 65 10.825 6.146 -5.276 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.311 4.511 -7.088 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.298 3.776 -5.497 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.173 2.355 -7.183 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.087 2.815 -5.887 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.919 3.006 -8.016 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.121 4.604 -7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.643 4.571 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 10.022 4.963 -8.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 9.853 3.406 -9.420 1.00 0.00 H new ATOM 1068 N ARG A 66 10.580 4.526 -2.818 1.00 0.00 N ATOM 1069 CA ARG A 66 11.209 3.570 -1.917 1.00 0.00 C ATOM 1070 C ARG A 66 10.234 3.012 -0.880 1.00 0.00 C ATOM 1071 O ARG A 66 10.370 1.861 -0.470 1.00 0.00 O ATOM 1072 CB ARG A 66 12.461 4.164 -1.266 1.00 0.00 C ATOM 1073 CG ARG A 66 12.196 5.288 -0.257 1.00 0.00 C ATOM 1074 CD ARG A 66 11.723 6.595 -0.893 1.00 0.00 C ATOM 1075 NE ARG A 66 12.685 7.084 -1.885 1.00 0.00 N ATOM 1076 CZ ARG A 66 12.686 8.319 -2.394 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.785 9.220 -2.013 1.00 0.00 N ATOM 1078 NH2 ARG A 66 13.600 8.663 -3.297 1.00 0.00 N ATOM 0 H ARG A 66 11.005 5.453 -2.810 1.00 0.00 H new ATOM 0 HA ARG A 66 11.524 2.721 -2.523 1.00 0.00 H new ATOM 0 HB2 ARG A 66 13.004 3.365 -0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 66 13.113 4.547 -2.051 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.445 4.951 0.458 1.00 0.00 H new ATOM 0 HG3 ARG A 66 13.109 5.480 0.306 1.00 0.00 H new ATOM 0 HD2 ARG A 66 10.754 6.441 -1.368 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.582 7.349 -0.118 1.00 0.00 H new ATOM 0 HE ARG A 66 13.403 6.436 -2.209 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.078 8.973 -1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.801 10.158 -2.413 1.00 0.00 H new ATOM 0 HH21 ARG A 66 14.299 7.984 -3.600 1.00 0.00 H new ATOM 0 HH22 ARG A 66 13.602 9.606 -3.687 1.00 0.00 H new ATOM 1092 N ASP A 67 9.251 3.810 -0.451 1.00 0.00 N ATOM 1093 CA ASP A 67 8.298 3.364 0.555 1.00 0.00 C ATOM 1094 C ASP A 67 7.133 2.632 -0.093 1.00 0.00 C ATOM 1095 O ASP A 67 6.412 1.903 0.589 1.00 0.00 O ATOM 1096 CB ASP A 67 7.785 4.564 1.355 1.00 0.00 C ATOM 1097 CG ASP A 67 8.910 5.282 2.100 1.00 0.00 C ATOM 1098 OD1 ASP A 67 9.871 4.597 2.514 1.00 0.00 O ATOM 1099 OD2 ASP A 67 8.793 6.520 2.251 1.00 0.00 O ATOM 0 H ASP A 67 9.100 4.762 -0.786 1.00 0.00 H new ATOM 0 HA ASP A 67 8.804 2.673 1.229 1.00 0.00 H new ATOM 0 HB2 ASP A 67 7.292 5.265 0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 67 7.034 4.228 2.070 1.00 0.00 H new ATOM 1104 N ALA A 68 6.938 2.818 -1.402 1.00 0.00 N ATOM 1105 CA ALA A 68 5.875 2.168 -2.133 1.00 0.00 C ATOM 1106 C ALA A 68 6.293 0.756 -2.522 1.00 0.00 C ATOM 1107 O ALA A 68 5.504 -0.179 -2.388 1.00 0.00 O ATOM 1108 CB ALA A 68 5.609 2.980 -3.398 1.00 0.00 C ATOM 0 H ALA A 68 7.521 3.428 -1.975 1.00 0.00 H new ATOM 0 HA ALA A 68 4.980 2.109 -1.514 1.00 0.00 H new ATOM 0 HB1 ALA A 68 4.809 2.510 -3.970 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.313 3.993 -3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 68 6.515 3.017 -4.004 1.00 0.00 H new ATOM 1114 N GLU A 69 7.529 0.591 -3.006 1.00 0.00 N ATOM 1115 CA GLU A 69 8.006 -0.724 -3.386 1.00 0.00 C ATOM 1116 C GLU A 69 8.290 -1.566 -2.139 1.00 0.00 C ATOM 1117 O GLU A 69 8.217 -2.793 -2.207 1.00 0.00 O ATOM 1118 CB GLU A 69 9.248 -0.624 -4.276 1.00 0.00 C ATOM 1119 CG GLU A 69 10.409 0.089 -3.579 1.00 0.00 C ATOM 1120 CD GLU A 69 11.699 -0.050 -4.380 1.00 0.00 C ATOM 1121 OE1 GLU A 69 11.896 0.765 -5.309 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.482 -0.972 -4.058 1.00 0.00 O ATOM 0 H GLU A 69 8.202 1.346 -3.139 1.00 0.00 H new ATOM 0 HA GLU A 69 7.226 -1.218 -3.965 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.563 -1.625 -4.569 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.994 -0.089 -5.191 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.168 1.144 -3.452 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.550 -0.328 -2.582 1.00 0.00 H new ATOM 1129 N ASP A 70 8.607 -0.933 -1.005 1.00 0.00 N ATOM 1130 CA ASP A 70 8.861 -1.674 0.222 1.00 0.00 C ATOM 1131 C ASP A 70 7.556 -2.208 0.811 1.00 0.00 C ATOM 1132 O ASP A 70 7.490 -3.376 1.188 1.00 0.00 O ATOM 1133 CB ASP A 70 9.580 -0.769 1.224 1.00 0.00 C ATOM 1134 CG ASP A 70 9.964 -1.534 2.486 1.00 0.00 C ATOM 1135 OD1 ASP A 70 10.863 -2.401 2.391 1.00 0.00 O ATOM 1136 OD2 ASP A 70 9.357 -1.251 3.541 1.00 0.00 O ATOM 0 H ASP A 70 8.692 0.080 -0.917 1.00 0.00 H new ATOM 0 HA ASP A 70 9.497 -2.530 -0.003 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.475 -0.351 0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 70 8.936 0.070 1.487 1.00 0.00 H new ATOM 1141 N ALA A 71 6.517 -1.372 0.892 1.00 0.00 N ATOM 1142 CA ALA A 71 5.234 -1.798 1.438 1.00 0.00 C ATOM 1143 C ALA A 71 4.627 -2.900 0.573 1.00 0.00 C ATOM 1144 O ALA A 71 3.913 -3.772 1.067 1.00 0.00 O ATOM 1145 CB ALA A 71 4.296 -0.590 1.515 1.00 0.00 C ATOM 0 H ALA A 71 6.543 -0.399 0.586 1.00 0.00 H new ATOM 0 HA ALA A 71 5.380 -2.202 2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 71 3.334 -0.902 1.923 1.00 0.00 H new ATOM 0 HB2 ALA A 71 4.735 0.171 2.161 1.00 0.00 H new ATOM 0 HB3 ALA A 71 4.151 -0.178 0.516 1.00 0.00 H new ATOM 1151 N MET A 72 4.914 -2.862 -0.731 1.00 0.00 N ATOM 1152 CA MET A 72 4.463 -3.867 -1.669 1.00 0.00 C ATOM 1153 C MET A 72 5.275 -5.143 -1.508 1.00 0.00 C ATOM 1154 O MET A 72 4.717 -6.239 -1.555 1.00 0.00 O ATOM 1155 CB MET A 72 4.640 -3.280 -3.064 1.00 0.00 C ATOM 1156 CG MET A 72 4.595 -4.305 -4.190 1.00 0.00 C ATOM 1157 SD MET A 72 4.379 -3.571 -5.837 1.00 0.00 S ATOM 1158 CE MET A 72 5.535 -2.173 -5.751 1.00 0.00 C ATOM 0 H MET A 72 5.471 -2.122 -1.159 1.00 0.00 H new ATOM 0 HA MET A 72 3.419 -4.128 -1.494 1.00 0.00 H new ATOM 0 HB2 MET A 72 3.860 -2.538 -3.234 1.00 0.00 H new ATOM 0 HB3 MET A 72 5.594 -2.755 -3.105 1.00 0.00 H new ATOM 0 HG2 MET A 72 5.518 -4.885 -4.179 1.00 0.00 H new ATOM 0 HG3 MET A 72 3.778 -5.002 -4.003 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.621 -1.711 -6.734 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.165 -1.438 -5.036 1.00 0.00 H new ATOM 0 HE3 MET A 72 6.514 -2.530 -5.431 1.00 0.00 H new ATOM 1168 N ASP A 73 6.586 -5.013 -1.314 1.00 0.00 N ATOM 1169 CA ASP A 73 7.463 -6.162 -1.181 1.00 0.00 C ATOM 1170 C ASP A 73 7.453 -6.707 0.253 1.00 0.00 C ATOM 1171 O ASP A 73 8.186 -7.647 0.560 1.00 0.00 O ATOM 1172 CB ASP A 73 8.873 -5.772 -1.616 1.00 0.00 C ATOM 1173 CG ASP A 73 9.811 -6.976 -1.674 1.00 0.00 C ATOM 1174 OD1 ASP A 73 9.474 -7.932 -2.409 1.00 0.00 O ATOM 1175 OD2 ASP A 73 10.855 -6.932 -0.983 1.00 0.00 O ATOM 0 H ASP A 73 7.062 -4.113 -1.246 1.00 0.00 H new ATOM 0 HA ASP A 73 7.101 -6.962 -1.826 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.831 -5.298 -2.597 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.275 -5.033 -0.922 1.00 0.00 H new ATOM 1180 N ALA A 74 6.632 -6.124 1.134 1.00 0.00 N ATOM 1181 CA ALA A 74 6.596 -6.500 2.538 1.00 0.00 C ATOM 1182 C ALA A 74 5.181 -6.778 3.044 1.00 0.00 C ATOM 1183 O ALA A 74 5.023 -7.211 4.182 1.00 0.00 O ATOM 1184 CB ALA A 74 7.205 -5.360 3.345 1.00 0.00 C ATOM 0 H ALA A 74 5.978 -5.381 0.887 1.00 0.00 H new ATOM 0 HA ALA A 74 7.159 -7.426 2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.191 -5.616 4.404 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.234 -5.197 3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.626 -4.450 3.184 1.00 0.00 H new ATOM 1190 N MET A 75 4.151 -6.540 2.221 1.00 0.00 N ATOM 1191 CA MET A 75 2.790 -6.837 2.649 1.00 0.00 C ATOM 1192 C MET A 75 1.923 -7.503 1.586 1.00 0.00 C ATOM 1193 O MET A 75 1.018 -8.255 1.945 1.00 0.00 O ATOM 1194 CB MET A 75 2.089 -5.556 3.093 1.00 0.00 C ATOM 1195 CG MET A 75 1.142 -5.882 4.245 1.00 0.00 C ATOM 1196 SD MET A 75 -0.069 -4.591 4.624 1.00 0.00 S ATOM 1197 CE MET A 75 1.060 -3.219 4.955 1.00 0.00 C ATOM 0 H MET A 75 4.235 -6.153 1.281 1.00 0.00 H new ATOM 0 HA MET A 75 2.900 -7.547 3.469 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.823 -4.814 3.408 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.534 -5.122 2.261 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.608 -6.802 4.008 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.734 -6.078 5.139 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.493 -2.292 5.034 1.00 0.00 H new ATOM 0 HE2 MET A 75 1.589 -3.401 5.890 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.780 -3.136 4.141 1.00 0.00 H new ATOM 1207 N ASP A 76 2.151 -7.268 0.288 1.00 0.00 N ATOM 1208 CA ASP A 76 1.311 -7.935 -0.694 1.00 0.00 C ATOM 1209 C ASP A 76 1.526 -9.444 -0.626 1.00 0.00 C ATOM 1210 O ASP A 76 2.653 -9.925 -0.504 1.00 0.00 O ATOM 1211 CB ASP A 76 1.582 -7.404 -2.102 1.00 0.00 C ATOM 1212 CG ASP A 76 1.173 -8.404 -3.180 1.00 0.00 C ATOM 1213 OD1 ASP A 76 -0.053 -8.607 -3.338 1.00 0.00 O ATOM 1214 OD2 ASP A 76 2.080 -8.959 -3.838 1.00 0.00 O ATOM 0 H ASP A 76 2.873 -6.653 -0.086 1.00 0.00 H new ATOM 0 HA ASP A 76 0.268 -7.722 -0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.038 -6.471 -2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.643 -7.174 -2.205 1.00 0.00 H new ATOM 1219 N GLY A 77 0.420 -10.182 -0.710 1.00 0.00 N ATOM 1220 CA GLY A 77 0.440 -11.639 -0.699 1.00 0.00 C ATOM 1221 C GLY A 77 0.734 -12.216 0.688 1.00 0.00 C ATOM 1222 O GLY A 77 1.079 -13.390 0.792 1.00 0.00 O ATOM 0 H GLY A 77 -0.516 -9.783 -0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.522 -12.014 -1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.194 -11.993 -1.402 1.00 0.00 H new ATOM 1226 N ALA A 78 0.603 -11.411 1.745 1.00 0.00 N ATOM 1227 CA ALA A 78 0.891 -11.842 3.110 1.00 0.00 C ATOM 1228 C ALA A 78 -0.355 -12.447 3.750 1.00 0.00 C ATOM 1229 O ALA A 78 -0.553 -12.383 4.965 1.00 0.00 O ATOM 1230 CB ALA A 78 1.406 -10.652 3.920 1.00 0.00 C ATOM 0 H ALA A 78 0.294 -10.441 1.676 1.00 0.00 H new ATOM 0 HA ALA A 78 1.662 -12.613 3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 78 1.622 -10.972 4.939 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.316 -10.266 3.461 1.00 0.00 H new ATOM 0 HB3 ALA A 78 0.648 -9.869 3.938 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.199 -13.030 2.902 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.536 -13.497 3.238 1.00 0.00 C ATOM 1238 C VAL A 79 -2.515 -14.760 4.097 1.00 0.00 C ATOM 1239 O VAL A 79 -1.466 -15.380 4.281 1.00 0.00 O ATOM 1240 CB VAL A 79 -3.278 -13.765 1.926 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -4.737 -14.161 2.056 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.150 -12.587 0.962 1.00 0.00 C ATOM 0 H VAL A 79 -0.958 -13.195 1.925 1.00 0.00 H new ATOM 0 HA VAL A 79 -3.039 -12.732 3.829 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.773 -14.645 1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -5.159 -14.325 1.065 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.814 -15.078 2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.287 -13.364 2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.688 -12.811 0.041 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -3.572 -11.693 1.421 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -2.098 -12.415 0.735 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.685 -15.150 4.618 1.00 0.00 N ATOM 1253 CA LEU A 80 -3.792 -16.407 5.364 1.00 0.00 C ATOM 1254 C LEU A 80 -5.191 -17.032 5.351 1.00 0.00 C ATOM 1255 O LEU A 80 -5.401 -18.054 6.003 1.00 0.00 O ATOM 1256 CB LEU A 80 -3.268 -16.235 6.799 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.315 -15.736 7.803 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -3.659 -15.597 9.174 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -4.885 -14.383 7.401 1.00 0.00 C ATOM 0 H LEU A 80 -4.555 -14.624 4.539 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.159 -17.120 4.836 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.877 -17.191 7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.433 -15.535 6.786 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.130 -16.459 7.825 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.395 -15.243 9.895 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.275 -16.566 9.494 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.837 -14.883 9.114 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.623 -14.065 8.138 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.081 -13.649 7.353 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.361 -14.464 6.424 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.155 -16.443 4.630 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.523 -16.950 4.637 1.00 0.00 C ATOM 1273 C ASP A 81 -8.181 -16.921 3.255 1.00 0.00 C ATOM 1274 O ASP A 81 -9.351 -17.284 3.116 1.00 0.00 O ATOM 1275 CB ASP A 81 -8.331 -16.157 5.666 1.00 0.00 C ATOM 1276 CG ASP A 81 -9.706 -16.772 5.910 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -9.740 -17.940 6.363 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -10.712 -16.074 5.650 1.00 0.00 O ATOM 0 H ASP A 81 -6.009 -15.623 4.041 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.499 -18.003 4.917 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.780 -16.116 6.606 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.449 -15.130 5.321 1.00 0.00 H new ATOM 1283 N GLY A 82 -7.446 -16.493 2.225 1.00 0.00 N ATOM 1284 CA GLY A 82 -7.945 -16.467 0.855 1.00 0.00 C ATOM 1285 C GLY A 82 -7.658 -15.139 0.161 1.00 0.00 C ATOM 1286 O GLY A 82 -7.667 -15.077 -1.068 1.00 0.00 O ATOM 0 H GLY A 82 -6.488 -16.155 2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.487 -17.277 0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.020 -16.648 0.858 1.00 0.00 H new ATOM 1290 N ARG A 83 -7.400 -14.085 0.949 1.00 0.00 N ATOM 1291 CA ARG A 83 -7.082 -12.744 0.474 1.00 0.00 C ATOM 1292 C ARG A 83 -6.805 -11.865 1.689 1.00 0.00 C ATOM 1293 O ARG A 83 -7.542 -11.915 2.669 1.00 0.00 O ATOM 1294 CB ARG A 83 -8.226 -12.164 -0.377 1.00 0.00 C ATOM 1295 CG ARG A 83 -9.427 -11.724 0.459 1.00 0.00 C ATOM 1296 CD ARG A 83 -9.487 -10.211 0.660 1.00 0.00 C ATOM 1297 NE ARG A 83 -9.768 -9.533 -0.610 1.00 0.00 N ATOM 1298 CZ ARG A 83 -10.957 -9.041 -0.973 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -12.021 -9.130 -0.182 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -11.080 -8.447 -2.158 1.00 0.00 N ATOM 0 H ARG A 83 -7.409 -14.152 1.967 1.00 0.00 H new ATOM 0 HA ARG A 83 -6.202 -12.782 -0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -7.853 -11.311 -0.945 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -8.549 -12.912 -1.101 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.344 -12.058 -0.027 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -9.385 -12.214 1.432 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -10.260 -9.966 1.388 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -8.541 -9.855 1.067 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.996 -9.429 -1.268 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -11.943 -9.583 0.729 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -12.916 -8.745 -0.485 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.273 -8.371 -2.777 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -11.982 -8.067 -2.447 1.00 0.00 H new ATOM 1314 N GLU A 84 -5.745 -11.058 1.643 1.00 0.00 N ATOM 1315 CA GLU A 84 -5.525 -10.071 2.691 1.00 0.00 C ATOM 1316 C GLU A 84 -5.001 -8.763 2.109 1.00 0.00 C ATOM 1317 O GLU A 84 -5.377 -7.690 2.574 1.00 0.00 O ATOM 1318 CB GLU A 84 -4.555 -10.535 3.776 1.00 0.00 C ATOM 1319 CG GLU A 84 -5.133 -11.651 4.644 1.00 0.00 C ATOM 1320 CD GLU A 84 -4.649 -11.496 6.082 1.00 0.00 C ATOM 1321 OE1 GLU A 84 -3.417 -11.482 6.288 1.00 0.00 O ATOM 1322 OE2 GLU A 84 -5.524 -11.394 6.971 1.00 0.00 O ATOM 0 H GLU A 84 -5.040 -11.069 0.906 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.502 -9.925 3.153 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.634 -10.883 3.309 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.291 -9.688 4.409 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.222 -11.620 4.613 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.830 -12.622 4.252 1.00 0.00 H new ATOM 1329 N LEU A 85 -4.137 -8.854 1.089 1.00 0.00 N ATOM 1330 CA LEU A 85 -3.524 -7.684 0.468 1.00 0.00 C ATOM 1331 C LEU A 85 -3.340 -7.869 -1.032 1.00 0.00 C ATOM 1332 O LEU A 85 -3.145 -8.987 -1.505 1.00 0.00 O ATOM 1333 CB LEU A 85 -2.101 -7.449 1.000 1.00 0.00 C ATOM 1334 CG LEU A 85 -1.926 -6.781 2.365 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -2.839 -5.568 2.518 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -2.104 -7.784 3.498 1.00 0.00 C ATOM 0 H LEU A 85 -3.847 -9.741 0.676 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.196 -6.857 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.599 -8.416 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.570 -6.844 0.266 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.903 -6.411 2.425 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.687 -5.120 3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.605 -4.836 1.745 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.879 -5.880 2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.974 -7.279 4.455 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -3.104 -8.215 3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.362 -8.577 3.402 1.00 0.00 H new ATOM 1348 N ARG A 86 -3.397 -6.745 -1.754 1.00 0.00 N ATOM 1349 CA ARG A 86 -2.993 -6.610 -3.146 1.00 0.00 C ATOM 1350 C ARG A 86 -2.554 -5.164 -3.341 1.00 0.00 C ATOM 1351 O ARG A 86 -3.386 -4.258 -3.373 1.00 0.00 O ATOM 1352 CB ARG A 86 -4.125 -6.974 -4.118 1.00 0.00 C ATOM 1353 CG ARG A 86 -4.348 -8.486 -4.232 1.00 0.00 C ATOM 1354 CD ARG A 86 -3.048 -9.197 -4.612 1.00 0.00 C ATOM 1355 NE ARG A 86 -3.249 -10.636 -4.771 1.00 0.00 N ATOM 1356 CZ ARG A 86 -2.293 -11.551 -4.578 1.00 0.00 C ATOM 1357 NH1 ARG A 86 -1.074 -11.190 -4.186 1.00 0.00 N ATOM 1358 NH2 ARG A 86 -2.556 -12.837 -4.777 1.00 0.00 N ATOM 0 H ARG A 86 -3.742 -5.869 -1.361 1.00 0.00 H new ATOM 0 HA ARG A 86 -2.180 -7.303 -3.365 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.049 -6.499 -3.787 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.895 -6.570 -5.104 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.718 -8.877 -3.284 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.113 -8.690 -4.981 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.662 -8.778 -5.541 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.296 -9.017 -3.844 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.175 -10.962 -5.046 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.860 -10.205 -4.029 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.354 -11.898 -4.042 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.487 -13.127 -5.077 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.827 -13.535 -4.630 1.00 0.00 H new ATOM 1372 N VAL A 87 -1.242 -4.951 -3.461 1.00 0.00 N ATOM 1373 CA VAL A 87 -0.666 -3.619 -3.607 1.00 0.00 C ATOM 1374 C VAL A 87 0.369 -3.605 -4.725 1.00 0.00 C ATOM 1375 O VAL A 87 1.297 -4.410 -4.744 1.00 0.00 O ATOM 1376 CB VAL A 87 -0.096 -3.133 -2.264 1.00 0.00 C ATOM 1377 CG1 VAL A 87 0.713 -4.186 -1.522 1.00 0.00 C ATOM 1378 CG2 VAL A 87 0.797 -1.911 -2.451 1.00 0.00 C ATOM 0 H VAL A 87 -0.550 -5.701 -3.459 1.00 0.00 H new ATOM 0 HA VAL A 87 -1.449 -2.916 -3.893 1.00 0.00 H new ATOM 0 HB VAL A 87 -0.974 -2.890 -1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.081 -3.768 -0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 87 0.081 -5.049 -1.311 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.557 -4.497 -2.137 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.184 -1.592 -1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 87 1.628 -2.165 -3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 87 0.218 -1.101 -2.895 1.00 0.00 H new ATOM 1388 N GLN A 88 0.182 -2.666 -5.659 1.00 0.00 N ATOM 1389 CA GLN A 88 0.986 -2.493 -6.865 1.00 0.00 C ATOM 1390 C GLN A 88 0.858 -1.050 -7.342 1.00 0.00 C ATOM 1391 O GLN A 88 0.093 -0.265 -6.786 1.00 0.00 O ATOM 1392 CB GLN A 88 0.491 -3.429 -7.978 1.00 0.00 C ATOM 1393 CG GLN A 88 0.666 -4.909 -7.627 1.00 0.00 C ATOM 1394 CD GLN A 88 0.300 -5.810 -8.803 1.00 0.00 C ATOM 1395 OE1 GLN A 88 -0.430 -5.417 -9.708 1.00 0.00 O ATOM 1396 NE2 GLN A 88 0.810 -7.038 -8.797 1.00 0.00 N ATOM 0 H GLN A 88 -0.568 -1.978 -5.588 1.00 0.00 H new ATOM 0 HA GLN A 88 2.025 -2.730 -6.636 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -0.562 -3.228 -8.174 1.00 0.00 H new ATOM 0 HB3 GLN A 88 1.033 -3.211 -8.898 1.00 0.00 H new ATOM 0 HG2 GLN A 88 1.699 -5.095 -7.333 1.00 0.00 H new ATOM 0 HG3 GLN A 88 0.041 -5.157 -6.769 1.00 0.00 H new ATOM 0 HE21 GLN A 88 1.414 -7.336 -8.031 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.598 -7.682 -9.559 1.00 0.00 H new ATOM 1405 N MET A 89 1.617 -0.713 -8.384 1.00 0.00 N ATOM 1406 CA MET A 89 1.642 0.614 -8.977 1.00 0.00 C ATOM 1407 C MET A 89 0.317 0.907 -9.684 1.00 0.00 C ATOM 1408 O MET A 89 -0.309 0.006 -10.243 1.00 0.00 O ATOM 1409 CB MET A 89 2.820 0.647 -9.946 1.00 0.00 C ATOM 1410 CG MET A 89 4.094 0.445 -9.126 1.00 0.00 C ATOM 1411 SD MET A 89 4.665 1.953 -8.303 1.00 0.00 S ATOM 1412 CE MET A 89 5.972 1.236 -7.284 1.00 0.00 C ATOM 0 H MET A 89 2.243 -1.372 -8.846 1.00 0.00 H new ATOM 0 HA MET A 89 1.764 1.386 -8.217 1.00 0.00 H new ATOM 0 HB2 MET A 89 2.720 -0.135 -10.698 1.00 0.00 H new ATOM 0 HB3 MET A 89 2.853 1.598 -10.478 1.00 0.00 H new ATOM 0 HG2 MET A 89 3.916 -0.325 -8.375 1.00 0.00 H new ATOM 0 HG3 MET A 89 4.884 0.076 -9.780 1.00 0.00 H new ATOM 0 HE1 MET A 89 6.506 2.032 -6.764 1.00 0.00 H new ATOM 0 HE2 MET A 89 5.533 0.556 -6.554 1.00 0.00 H new ATOM 0 HE3 MET A 89 6.668 0.687 -7.918 1.00 0.00 H new ATOM 1422 N ALA A 90 -0.107 2.170 -9.651 1.00 0.00 N ATOM 1423 CA ALA A 90 -1.349 2.607 -10.279 1.00 0.00 C ATOM 1424 C ALA A 90 -1.210 2.701 -11.800 1.00 0.00 C ATOM 1425 O ALA A 90 -0.107 2.600 -12.340 1.00 0.00 O ATOM 1426 CB ALA A 90 -1.737 3.968 -9.703 1.00 0.00 C ATOM 0 H ALA A 90 0.405 2.920 -9.186 1.00 0.00 H new ATOM 0 HA ALA A 90 -2.125 1.871 -10.069 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.665 4.307 -10.164 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.878 3.880 -8.626 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.945 4.689 -9.908 1.00 0.00 H new ATOM 1432 N ARG A 91 -2.339 2.898 -12.490 1.00 0.00 N ATOM 1433 CA ARG A 91 -2.369 3.075 -13.939 1.00 0.00 C ATOM 1434 C ARG A 91 -3.496 4.025 -14.352 1.00 0.00 C ATOM 1435 O ARG A 91 -3.711 4.251 -15.543 1.00 0.00 O ATOM 1436 CB ARG A 91 -2.516 1.698 -14.594 1.00 0.00 C ATOM 1437 CG ARG A 91 -2.190 1.727 -16.089 1.00 0.00 C ATOM 1438 CD ARG A 91 -2.217 0.310 -16.650 1.00 0.00 C ATOM 1439 NE ARG A 91 -1.875 0.296 -18.077 1.00 0.00 N ATOM 1440 CZ ARG A 91 -1.797 -0.814 -18.816 1.00 0.00 C ATOM 1441 NH1 ARG A 91 -2.033 -2.010 -18.276 1.00 0.00 N ATOM 1442 NH2 ARG A 91 -1.478 -0.731 -20.104 1.00 0.00 N ATOM 0 H ARG A 91 -3.260 2.939 -12.053 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.439 3.533 -14.277 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.856 0.988 -14.094 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -3.535 1.339 -14.454 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -2.912 2.351 -16.616 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -1.208 2.172 -16.248 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.514 -0.315 -16.099 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.208 -0.122 -16.507 1.00 0.00 H new ATOM 0 HE ARG A 91 -1.685 1.189 -18.533 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.276 -2.085 -17.288 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.970 -2.850 -18.851 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.293 0.179 -20.526 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.418 -1.577 -20.670 1.00 0.00 H new ATOM 1456 N TYR A 92 -4.218 4.589 -13.378 1.00 0.00 N ATOM 1457 CA TYR A 92 -5.333 5.491 -13.629 1.00 0.00 C ATOM 1458 C TYR A 92 -5.188 6.741 -12.757 1.00 0.00 C ATOM 1459 O TYR A 92 -4.278 6.808 -11.932 1.00 0.00 O ATOM 1460 CB TYR A 92 -6.655 4.775 -13.363 1.00 0.00 C ATOM 1461 CG TYR A 92 -6.853 3.458 -14.082 1.00 0.00 C ATOM 1462 CD1 TYR A 92 -6.611 3.355 -15.459 1.00 0.00 C ATOM 1463 CD2 TYR A 92 -7.289 2.338 -13.361 1.00 0.00 C ATOM 1464 CE1 TYR A 92 -6.790 2.127 -16.114 1.00 0.00 C ATOM 1465 CE2 TYR A 92 -7.464 1.106 -14.003 1.00 0.00 C ATOM 1466 CZ TYR A 92 -7.214 0.992 -15.387 1.00 0.00 C ATOM 1467 OH TYR A 92 -7.382 -0.201 -16.028 1.00 0.00 O ATOM 0 H TYR A 92 -4.039 4.427 -12.387 1.00 0.00 H new ATOM 0 HA TYR A 92 -5.327 5.801 -14.674 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.740 4.597 -12.291 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.470 5.444 -13.641 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.287 4.221 -16.016 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.491 2.426 -12.304 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -6.603 2.049 -17.175 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.790 0.244 -13.440 1.00 0.00 H new ATOM 0 HH TYR A 92 -7.676 -0.880 -15.385 1.00 0.00 H new ATOM 1477 N GLY A 93 -6.078 7.728 -12.931 1.00 0.00 N ATOM 1478 CA GLY A 93 -5.939 9.029 -12.287 1.00 0.00 C ATOM 1479 C GLY A 93 -7.121 9.419 -11.405 1.00 0.00 C ATOM 1480 O GLY A 93 -8.117 8.699 -11.307 1.00 0.00 O ATOM 0 H GLY A 93 -6.907 7.642 -13.519 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.033 9.027 -11.681 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.807 9.790 -13.056 1.00 0.00 H new ATOM 1484 N ARG A 94 -6.982 10.584 -10.761 1.00 0.00 N ATOM 1485 CA ARG A 94 -7.943 11.150 -9.818 1.00 0.00 C ATOM 1486 C ARG A 94 -9.298 11.450 -10.466 1.00 0.00 C ATOM 1487 O ARG A 94 -9.380 11.565 -11.690 1.00 0.00 O ATOM 1488 CB ARG A 94 -7.326 12.425 -9.227 1.00 0.00 C ATOM 1489 CG ARG A 94 -7.140 13.507 -10.294 1.00 0.00 C ATOM 1490 CD ARG A 94 -6.534 14.755 -9.660 1.00 0.00 C ATOM 1491 NE ARG A 94 -6.351 15.815 -10.661 1.00 0.00 N ATOM 1492 CZ ARG A 94 -7.304 16.663 -11.053 1.00 0.00 C ATOM 1493 NH1 ARG A 94 -8.531 16.590 -10.543 1.00 0.00 N ATOM 1494 NH2 ARG A 94 -7.037 17.591 -11.967 1.00 0.00 N ATOM 0 H ARG A 94 -6.163 11.178 -10.890 1.00 0.00 H new ATOM 0 HA ARG A 94 -8.144 10.418 -9.035 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.966 12.805 -8.431 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.362 12.188 -8.776 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -6.491 13.140 -11.089 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.099 13.749 -10.752 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -7.182 15.113 -8.860 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -5.574 14.508 -9.206 1.00 0.00 H new ATOM 0 HE ARG A 94 -5.429 15.910 -11.087 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -8.752 15.880 -9.844 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -9.251 17.244 -10.851 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.102 17.656 -12.370 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -7.767 18.238 -12.265 1.00 0.00 H new ATOM 1508 N PRO A 95 -10.359 11.578 -9.655 1.00 0.00 N ATOM 1509 CA PRO A 95 -11.722 11.898 -10.055 1.00 0.00 C ATOM 1510 C PRO A 95 -11.883 12.845 -11.246 1.00 0.00 C ATOM 1511 O PRO A 95 -11.706 14.054 -11.093 1.00 0.00 O ATOM 1512 CB PRO A 95 -12.354 12.474 -8.790 1.00 0.00 C ATOM 1513 CG PRO A 95 -11.773 11.551 -7.728 1.00 0.00 C ATOM 1514 CD PRO A 95 -10.325 11.405 -8.208 1.00 0.00 C ATOM 0 HA PRO A 95 -12.206 10.997 -10.432 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -12.076 13.515 -8.628 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.443 12.435 -8.819 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -11.832 11.986 -6.730 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -12.291 10.593 -7.690 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -9.683 12.152 -7.741 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -9.923 10.427 -7.942 1.00 0.00 H new ATOM 1522 N PRO A 96 -12.218 12.320 -12.435 1.00 0.00 N ATOM 1523 CA PRO A 96 -12.604 13.131 -13.574 1.00 0.00 C ATOM 1524 C PRO A 96 -14.076 13.533 -13.438 1.00 0.00 C ATOM 1525 O PRO A 96 -14.388 14.721 -13.366 1.00 0.00 O ATOM 1526 CB PRO A 96 -12.391 12.219 -14.784 1.00 0.00 C ATOM 1527 CG PRO A 96 -12.628 10.808 -14.237 1.00 0.00 C ATOM 1528 CD PRO A 96 -12.249 10.903 -12.759 1.00 0.00 C ATOM 0 HA PRO A 96 -12.030 14.054 -13.660 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -13.087 12.456 -15.589 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -11.385 12.325 -15.190 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -13.667 10.503 -14.362 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -12.015 10.072 -14.758 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -12.974 10.378 -12.137 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -11.279 10.441 -12.576 1.00 0.00 H new ATOM 1536 N ASP A 97 -14.973 12.539 -13.401 1.00 0.00 N ATOM 1537 CA ASP A 97 -16.406 12.704 -13.185 1.00 0.00 C ATOM 1538 C ASP A 97 -17.092 11.340 -13.188 1.00 0.00 C ATOM 1539 O ASP A 97 -16.875 10.531 -14.090 1.00 0.00 O ATOM 1540 CB ASP A 97 -17.024 13.559 -14.292 1.00 0.00 C ATOM 1541 CG ASP A 97 -18.546 13.619 -14.175 1.00 0.00 C ATOM 1542 OD1 ASP A 97 -19.034 13.733 -13.030 1.00 0.00 O ATOM 1543 OD2 ASP A 97 -19.208 13.553 -15.233 1.00 0.00 O ATOM 0 H ASP A 97 -14.705 11.563 -13.526 1.00 0.00 H new ATOM 0 HA ASP A 97 -16.548 13.196 -12.223 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -16.615 14.568 -14.244 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -16.749 13.150 -15.264 1.00 0.00 H new ATOM 1548 N SER A 98 -17.922 11.108 -12.171 1.00 0.00 N ATOM 1549 CA SER A 98 -18.743 9.909 -12.007 1.00 0.00 C ATOM 1550 C SER A 98 -19.918 10.204 -11.082 1.00 0.00 C ATOM 1551 O SER A 98 -20.592 9.282 -10.620 1.00 0.00 O ATOM 1552 CB SER A 98 -17.934 8.789 -11.348 1.00 0.00 C ATOM 1553 OG SER A 98 -16.858 8.394 -12.169 1.00 0.00 O ATOM 0 H SER A 98 -18.045 11.776 -11.410 1.00 0.00 H new ATOM 0 HA SER A 98 -19.084 9.607 -12.997 1.00 0.00 H new ATOM 0 HB2 SER A 98 -17.555 9.128 -10.384 1.00 0.00 H new ATOM 0 HB3 SER A 98 -18.581 7.934 -11.154 1.00 0.00 H new ATOM 0 HG SER A 98 -16.142 8.022 -11.613 1.00 0.00 H new ATOM 1559 N HIS A 99 -20.167 11.485 -10.806 1.00 0.00 N ATOM 1560 CA HIS A 99 -21.064 11.886 -9.736 1.00 0.00 C ATOM 1561 C HIS A 99 -21.873 13.134 -10.093 1.00 0.00 C ATOM 1562 O HIS A 99 -22.535 13.708 -9.230 1.00 0.00 O ATOM 1563 CB HIS A 99 -20.183 12.137 -8.508 1.00 0.00 C ATOM 1564 CG HIS A 99 -19.257 13.307 -8.717 1.00 0.00 C ATOM 1565 ND1 HIS A 99 -18.044 13.263 -9.415 1.00 0.00 N ATOM 1566 CD2 HIS A 99 -19.475 14.578 -8.270 1.00 0.00 C ATOM 1567 CE1 HIS A 99 -17.560 14.515 -9.365 1.00 0.00 C ATOM 1568 NE2 HIS A 99 -18.394 15.322 -8.682 1.00 0.00 N ATOM 0 H HIS A 99 -19.753 12.264 -11.317 1.00 0.00 H new ATOM 0 HA HIS A 99 -21.801 11.105 -9.549 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -20.814 12.323 -7.639 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -19.597 11.244 -8.291 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -20.326 14.929 -7.706 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -16.629 14.831 -9.812 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -18.249 16.315 -8.501 1.00 0.00 H new ATOM 1576 N HIS A 100 -21.824 13.564 -11.359 1.00 0.00 N ATOM 1577 CA HIS A 100 -22.543 14.744 -11.818 1.00 0.00 C ATOM 1578 C HIS A 100 -22.967 14.574 -13.277 1.00 0.00 C ATOM 1579 O HIS A 100 -22.555 13.621 -13.940 1.00 0.00 O ATOM 1580 CB HIS A 100 -21.631 15.963 -11.650 1.00 0.00 C ATOM 1581 CG HIS A 100 -22.310 17.270 -11.967 1.00 0.00 C ATOM 1582 ND1 HIS A 100 -23.571 17.651 -11.508 1.00 0.00 N ATOM 1583 CD2 HIS A 100 -21.793 18.267 -12.745 1.00 0.00 C ATOM 1584 CE1 HIS A 100 -23.783 18.873 -12.021 1.00 0.00 C ATOM 1585 NE2 HIS A 100 -22.736 19.270 -12.769 1.00 0.00 N ATOM 0 H HIS A 100 -21.283 13.100 -12.089 1.00 0.00 H new ATOM 0 HA HIS A 100 -23.448 14.884 -11.228 1.00 0.00 H new ATOM 0 HB2 HIS A 100 -21.263 15.993 -10.624 1.00 0.00 H new ATOM 0 HB3 HIS A 100 -20.761 15.848 -12.297 1.00 0.00 H new ATOM 0 HD2 HIS A 100 -20.834 18.268 -13.243 1.00 0.00 H new ATOM 0 HE1 HIS A 100 -24.675 19.460 -11.856 1.00 0.00 H new ATOM 0 HE2 HIS A 100 -22.656 20.157 -13.266 1.00 0.00 H new ATOM 1593 N SER A 101 -23.788 15.503 -13.777 1.00 0.00 N ATOM 1594 CA SER A 101 -24.309 15.468 -15.139 1.00 0.00 C ATOM 1595 C SER A 101 -24.502 16.887 -15.664 1.00 0.00 C ATOM 1596 O SER A 101 -25.297 17.632 -15.045 1.00 0.00 O ATOM 1597 CB SER A 101 -25.640 14.719 -15.170 1.00 0.00 C ATOM 1598 OG SER A 101 -25.473 13.398 -14.706 1.00 0.00 O ATOM 1599 OXT SER A 101 -23.855 17.213 -16.681 1.00 0.00 O ATOM 0 H SER A 101 -24.110 16.307 -13.238 1.00 0.00 H new ATOM 0 HA SER A 101 -23.592 14.949 -15.776 1.00 0.00 H new ATOM 0 HB2 SER A 101 -26.371 15.239 -14.551 1.00 0.00 H new ATOM 0 HB3 SER A 101 -26.034 14.707 -16.186 1.00 0.00 H new ATOM 0 HG SER A 101 -26.334 12.931 -14.730 1.00 0.00 H new TER 1605 SER A 101 ATOM 1606 O5' U B 102 -13.648 -4.658 -11.648 1.00 0.00 O ATOM 1607 C5' U B 102 -12.407 -3.980 -11.672 1.00 0.00 C ATOM 1608 C4' U B 102 -12.037 -3.417 -10.295 1.00 0.00 C ATOM 1609 O4' U B 102 -12.869 -2.315 -9.969 1.00 0.00 O ATOM 1610 C3' U B 102 -12.205 -4.478 -9.207 1.00 0.00 C ATOM 1611 O3' U B 102 -11.260 -4.334 -8.161 1.00 0.00 O ATOM 1612 C2' U B 102 -13.614 -4.188 -8.691 1.00 0.00 C ATOM 1613 O2' U B 102 -13.749 -4.505 -7.316 1.00 0.00 O ATOM 1614 C1' U B 102 -13.795 -2.696 -8.963 1.00 0.00 C ATOM 1615 N1 U B 102 -15.194 -2.430 -9.376 1.00 0.00 N ATOM 1616 C2 U B 102 -16.161 -2.320 -8.387 1.00 0.00 C ATOM 1617 O2 U B 102 -15.897 -2.377 -7.192 1.00 0.00 O ATOM 1618 N3 U B 102 -17.467 -2.137 -8.816 1.00 0.00 N ATOM 1619 C4 U B 102 -17.879 -2.018 -10.130 1.00 0.00 C ATOM 1620 O4 U B 102 -19.063 -1.849 -10.398 1.00 0.00 O ATOM 1621 C5 U B 102 -16.805 -2.111 -11.093 1.00 0.00 C ATOM 1622 C6 U B 102 -15.527 -2.312 -10.697 1.00 0.00 C ATOM 0 H5' U B 102 -12.451 -3.167 -12.397 1.00 0.00 H new ATOM 0 H5'' U B 102 -11.626 -4.663 -12.007 1.00 0.00 H new ATOM 0 H4' U B 102 -10.995 -3.101 -10.343 1.00 0.00 H new ATOM 0 H3' U B 102 -12.056 -5.491 -9.581 1.00 0.00 H new ATOM 0 H2' U B 102 -14.376 -4.795 -9.180 1.00 0.00 H new ATOM 0 HO2' U B 102 -12.866 -4.498 -6.891 1.00 0.00 H new ATOM 0 HO5' U B 102 -14.350 -4.045 -11.345 1.00 0.00 H new ATOM 0 H1' U B 102 -13.603 -2.109 -8.065 1.00 0.00 H new ATOM 0 H3 U B 102 -18.189 -2.086 -8.097 1.00 0.00 H new ATOM 0 H5 U B 102 -17.026 -2.019 -12.146 1.00 0.00 H new ATOM 0 H6 U B 102 -14.750 -2.381 -11.444 1.00 0.00 H new ATOM 1634 P G B 103 -9.676 -4.384 -8.441 1.00 0.00 P ATOM 1635 OP1 G B 103 -9.443 -5.015 -9.764 1.00 0.00 O ATOM 1636 OP2 G B 103 -8.999 -4.923 -7.240 1.00 0.00 O ATOM 1637 O5' G B 103 -9.334 -2.818 -8.555 1.00 0.00 O ATOM 1638 C5' G B 103 -9.369 -2.005 -7.401 1.00 0.00 C ATOM 1639 C4' G B 103 -9.014 -0.562 -7.740 1.00 0.00 C ATOM 1640 O4' G B 103 -7.707 -0.478 -8.268 1.00 0.00 O ATOM 1641 C3' G B 103 -9.965 0.068 -8.762 1.00 0.00 C ATOM 1642 O3' G B 103 -10.663 1.128 -8.149 1.00 0.00 O ATOM 1643 C2' G B 103 -9.037 0.560 -9.870 1.00 0.00 C ATOM 1644 O2' G B 103 -9.389 1.818 -10.399 1.00 0.00 O ATOM 1645 C1' G B 103 -7.710 0.629 -9.135 1.00 0.00 C ATOM 1646 N9 G B 103 -6.589 0.603 -10.084 1.00 0.00 N ATOM 1647 C8 G B 103 -5.786 1.648 -10.433 1.00 0.00 C ATOM 1648 N7 G B 103 -4.840 1.334 -11.272 1.00 0.00 N ATOM 1649 C5 G B 103 -5.047 -0.028 -11.513 1.00 0.00 C ATOM 1650 C6 G B 103 -4.333 -0.943 -12.341 1.00 0.00 C ATOM 1651 O6 G B 103 -3.338 -0.736 -13.031 1.00 0.00 O ATOM 1652 N1 G B 103 -4.891 -2.213 -12.321 1.00 0.00 N ATOM 1653 C2 G B 103 -5.992 -2.572 -11.585 1.00 0.00 C ATOM 1654 N2 G B 103 -6.398 -3.836 -11.673 1.00 0.00 N ATOM 1655 N3 G B 103 -6.655 -1.727 -10.793 1.00 0.00 N ATOM 1656 C4 G B 103 -6.133 -0.476 -10.804 1.00 0.00 C ATOM 0 H5' G B 103 -8.670 -2.391 -6.659 1.00 0.00 H new ATOM 0 H5'' G B 103 -10.362 -2.044 -6.954 1.00 0.00 H new ATOM 0 H4' G B 103 -9.096 -0.016 -6.800 1.00 0.00 H new ATOM 0 H3' G B 103 -10.721 -0.615 -9.150 1.00 0.00 H new ATOM 0 H2' G B 103 -9.054 -0.087 -10.747 1.00 0.00 H new ATOM 0 HO2' G B 103 -10.313 1.789 -10.725 1.00 0.00 H new ATOM 0 H1' G B 103 -7.592 1.557 -8.575 1.00 0.00 H new ATOM 0 H8 G B 103 -5.922 2.648 -10.048 1.00 0.00 H new ATOM 0 H1 G B 103 -4.451 -2.932 -12.895 1.00 0.00 H new ATOM 0 H21 G B 103 -7.212 -4.148 -11.144 1.00 0.00 H new ATOM 0 H22 G B 103 -5.895 -4.493 -12.270 1.00 0.00 H new ATOM 1668 P G B 104 -12.063 1.643 -8.738 1.00 0.00 P ATOM 1669 OP1 G B 104 -13.145 0.778 -8.213 1.00 0.00 O ATOM 1670 OP2 G B 104 -11.936 1.829 -10.200 1.00 0.00 O ATOM 1671 O5' G B 104 -12.199 3.088 -8.049 1.00 0.00 O ATOM 1672 C5' G B 104 -11.514 4.200 -8.587 1.00 0.00 C ATOM 1673 C4' G B 104 -11.731 5.401 -7.674 1.00 0.00 C ATOM 1674 O4' G B 104 -10.673 5.582 -6.743 1.00 0.00 O ATOM 1675 C3' G B 104 -11.861 6.703 -8.444 1.00 0.00 C ATOM 1676 O3' G B 104 -13.162 6.821 -8.988 1.00 0.00 O ATOM 1677 C2' G B 104 -11.549 7.712 -7.352 1.00 0.00 C ATOM 1678 O2' G B 104 -12.696 7.951 -6.570 1.00 0.00 O ATOM 1679 C1' G B 104 -10.495 6.980 -6.527 1.00 0.00 C ATOM 1680 N9 G B 104 -9.160 7.434 -6.976 1.00 0.00 N ATOM 1681 C8 G B 104 -8.429 8.509 -6.532 1.00 0.00 C ATOM 1682 N7 G B 104 -7.315 8.702 -7.181 1.00 0.00 N ATOM 1683 C5 G B 104 -7.282 7.654 -8.101 1.00 0.00 C ATOM 1684 C6 G B 104 -6.280 7.304 -9.054 1.00 0.00 C ATOM 1685 O6 G B 104 -5.233 7.894 -9.314 1.00 0.00 O ATOM 1686 N1 G B 104 -6.591 6.139 -9.734 1.00 0.00 N ATOM 1687 C2 G B 104 -7.732 5.402 -9.526 1.00 0.00 C ATOM 1688 N2 G B 104 -7.889 4.293 -10.238 1.00 0.00 N ATOM 1689 N3 G B 104 -8.683 5.730 -8.656 1.00 0.00 N ATOM 1690 C4 G B 104 -8.391 6.861 -7.964 1.00 0.00 C ATOM 0 H5' G B 104 -11.879 4.418 -9.591 1.00 0.00 H new ATOM 0 H5'' G B 104 -10.450 3.981 -8.675 1.00 0.00 H new ATOM 0 H4' G B 104 -12.660 5.173 -7.151 1.00 0.00 H new ATOM 0 H3' G B 104 -11.212 6.817 -9.313 1.00 0.00 H new ATOM 0 H2' G B 104 -11.222 8.682 -7.727 1.00 0.00 H new ATOM 0 HO2' G B 104 -12.457 7.916 -5.620 1.00 0.00 H new ATOM 0 H1' G B 104 -10.587 7.188 -5.461 1.00 0.00 H new ATOM 0 H8 G B 104 -8.749 9.140 -5.716 1.00 0.00 H new ATOM 0 H1 G B 104 -5.930 5.806 -10.436 1.00 0.00 H new ATOM 0 H21 G B 104 -8.723 3.720 -10.112 1.00 0.00 H new ATOM 0 H22 G B 104 -7.176 4.014 -10.912 1.00 0.00 H new ATOM 1702 P A B 105 -13.598 8.098 -9.857 1.00 0.00 P ATOM 1703 OP1 A B 105 -14.676 7.664 -10.775 1.00 0.00 O ATOM 1704 OP2 A B 105 -12.377 8.724 -10.406 1.00 0.00 O ATOM 1705 O5' A B 105 -14.250 9.088 -8.764 1.00 0.00 O ATOM 1706 C5' A B 105 -14.978 10.229 -9.174 1.00 0.00 C ATOM 1707 C4' A B 105 -15.655 10.977 -8.010 1.00 0.00 C ATOM 1708 O4' A B 105 -17.042 10.679 -8.005 1.00 0.00 O ATOM 1709 C3' A B 105 -15.115 10.578 -6.631 1.00 0.00 C ATOM 1710 O3' A B 105 -14.995 11.662 -5.715 1.00 0.00 O ATOM 1711 C2' A B 105 -16.069 9.468 -6.196 1.00 0.00 C ATOM 1712 O2' A B 105 -16.417 9.520 -4.829 1.00 0.00 O ATOM 1713 C1' A B 105 -17.310 9.664 -7.058 1.00 0.00 C ATOM 1714 N9 A B 105 -17.701 8.402 -7.712 1.00 0.00 N ATOM 1715 C8 A B 105 -16.871 7.452 -8.230 1.00 0.00 C ATOM 1716 N7 A B 105 -17.474 6.437 -8.780 1.00 0.00 N ATOM 1717 C5 A B 105 -18.822 6.727 -8.584 1.00 0.00 C ATOM 1718 C6 A B 105 -20.009 6.043 -8.917 1.00 0.00 C ATOM 1719 N6 A B 105 -20.036 4.887 -9.584 1.00 0.00 N ATOM 1720 N1 A B 105 -21.177 6.581 -8.546 1.00 0.00 N ATOM 1721 C2 A B 105 -21.161 7.731 -7.889 1.00 0.00 C ATOM 1722 N3 A B 105 -20.132 8.484 -7.521 1.00 0.00 N ATOM 1723 C4 A B 105 -18.970 7.914 -7.915 1.00 0.00 C ATOM 0 H5' A B 105 -15.740 9.925 -9.892 1.00 0.00 H new ATOM 0 H5'' A B 105 -14.305 10.912 -9.692 1.00 0.00 H new ATOM 0 H4' A B 105 -15.449 12.035 -8.173 1.00 0.00 H new ATOM 0 H3' A B 105 -14.080 10.237 -6.665 1.00 0.00 H new ATOM 0 H2' A B 105 -15.594 8.496 -6.324 1.00 0.00 H new ATOM 0 HO2' A B 105 -15.605 9.606 -4.288 1.00 0.00 H new ATOM 0 H1' A B 105 -18.151 9.968 -6.435 1.00 0.00 H new ATOM 0 H8 A B 105 -15.795 7.535 -8.187 1.00 0.00 H new ATOM 0 H61 A B 105 -20.929 4.441 -9.795 1.00 0.00 H new ATOM 0 H62 A B 105 -19.164 4.450 -9.883 1.00 0.00 H new ATOM 0 H2 A B 105 -22.132 8.114 -7.611 1.00 0.00 H new ATOM 1735 P G B 106 -16.124 12.784 -5.441 1.00 0.00 P ATOM 1736 OP1 G B 106 -17.469 12.236 -5.730 1.00 0.00 O ATOM 1737 OP2 G B 106 -15.688 14.035 -6.103 1.00 0.00 O ATOM 1738 O5' G B 106 -16.028 13.012 -3.843 1.00 0.00 O ATOM 1739 C5' G B 106 -16.761 12.188 -2.958 1.00 0.00 C ATOM 1740 C4' G B 106 -16.382 12.390 -1.492 1.00 0.00 C ATOM 1741 O4' G B 106 -15.104 11.837 -1.211 1.00 0.00 O ATOM 1742 C3' G B 106 -16.327 13.858 -1.091 1.00 0.00 C ATOM 1743 O3' G B 106 -16.664 13.996 0.278 1.00 0.00 O ATOM 1744 C2' G B 106 -14.864 14.207 -1.322 1.00 0.00 C ATOM 1745 O2' G B 106 -14.431 15.181 -0.397 1.00 0.00 O ATOM 1746 C1' G B 106 -14.141 12.875 -1.128 1.00 0.00 C ATOM 1747 N9 G B 106 -13.059 12.696 -2.116 1.00 0.00 N ATOM 1748 C8 G B 106 -12.955 13.152 -3.407 1.00 0.00 C ATOM 1749 N7 G B 106 -11.837 12.822 -3.996 1.00 0.00 N ATOM 1750 C5 G B 106 -11.156 12.086 -3.030 1.00 0.00 C ATOM 1751 C6 G B 106 -9.883 11.446 -3.084 1.00 0.00 C ATOM 1752 O6 G B 106 -9.085 11.411 -4.016 1.00 0.00 O ATOM 1753 N1 G B 106 -9.574 10.808 -1.891 1.00 0.00 N ATOM 1754 C2 G B 106 -10.380 10.794 -0.777 1.00 0.00 C ATOM 1755 N2 G B 106 -9.923 10.149 0.291 1.00 0.00 N ATOM 1756 N3 G B 106 -11.570 11.393 -0.716 1.00 0.00 N ATOM 1757 C4 G B 106 -11.898 12.011 -1.878 1.00 0.00 C ATOM 0 H5' G B 106 -16.600 11.144 -3.227 1.00 0.00 H new ATOM 0 H5'' G B 106 -17.825 12.389 -3.082 1.00 0.00 H new ATOM 0 H4' G B 106 -17.165 11.886 -0.925 1.00 0.00 H new ATOM 0 H3' G B 106 -17.016 14.497 -1.644 1.00 0.00 H new ATOM 0 H2' G B 106 -14.673 14.639 -2.304 1.00 0.00 H new ATOM 0 HO2' G B 106 -14.930 15.082 0.440 1.00 0.00 H new ATOM 0 H1' G B 106 -13.661 12.854 -0.150 1.00 0.00 H new ATOM 0 H8 G B 106 -13.727 13.731 -3.891 1.00 0.00 H new ATOM 0 H1 G B 106 -8.684 10.313 -1.836 1.00 0.00 H new ATOM 0 H21 G B 106 -10.484 10.110 1.142 1.00 0.00 H new ATOM 0 H22 G B 106 -9.011 9.693 0.260 1.00 0.00 H new ATOM 1769 P U B 107 -18.200 14.099 0.741 1.00 0.00 P ATOM 1770 OP1 U B 107 -18.232 14.180 2.219 1.00 0.00 O ATOM 1771 OP2 U B 107 -18.989 13.055 0.046 1.00 0.00 O ATOM 1772 O5' U B 107 -18.598 15.538 0.150 1.00 0.00 O ATOM 1773 C5' U B 107 -19.237 15.663 -1.106 1.00 0.00 C ATOM 1774 C4' U B 107 -18.932 17.024 -1.747 1.00 0.00 C ATOM 1775 O4' U B 107 -19.107 18.061 -0.797 1.00 0.00 O ATOM 1776 C3' U B 107 -17.502 17.149 -2.265 1.00 0.00 C ATOM 1777 O3' U B 107 -17.476 18.181 -3.230 1.00 0.00 O ATOM 1778 C2' U B 107 -16.803 17.555 -0.990 1.00 0.00 C ATOM 1779 O2' U B 107 -15.548 18.152 -1.223 1.00 0.00 O ATOM 1780 C1' U B 107 -17.824 18.518 -0.388 1.00 0.00 C ATOM 1781 N1 U B 107 -17.725 18.605 1.087 1.00 0.00 N ATOM 1782 C2 U B 107 -18.681 19.351 1.769 1.00 0.00 C ATOM 1783 O2 U B 107 -19.587 19.961 1.199 1.00 0.00 O ATOM 1784 N3 U B 107 -18.571 19.374 3.152 1.00 0.00 N ATOM 1785 C4 U B 107 -17.593 18.748 3.901 1.00 0.00 C ATOM 1786 O4 U B 107 -17.591 18.824 5.128 1.00 0.00 O ATOM 1787 C5 U B 107 -16.620 18.027 3.109 1.00 0.00 C ATOM 1788 C6 U B 107 -16.715 17.979 1.762 1.00 0.00 C ATOM 0 H5' U B 107 -20.314 15.549 -0.983 1.00 0.00 H new ATOM 0 H5'' U B 107 -18.905 14.863 -1.768 1.00 0.00 H new ATOM 0 H4' U B 107 -19.622 17.106 -2.587 1.00 0.00 H new ATOM 0 H3' U B 107 -17.066 16.272 -2.744 1.00 0.00 H new ATOM 0 H2' U B 107 -16.547 16.721 -0.336 1.00 0.00 H new ATOM 0 HO2' U B 107 -15.366 18.814 -0.524 1.00 0.00 H new ATOM 0 HO3' U B 107 -17.495 17.790 -4.128 1.00 0.00 H new ATOM 0 H1' U B 107 -17.635 19.531 -0.744 1.00 0.00 H new ATOM 0 H3 U B 107 -19.278 19.902 3.663 1.00 0.00 H new ATOM 0 H5 U B 107 -15.805 17.519 3.603 1.00 0.00 H new ATOM 0 H6 U B 107 -15.972 17.430 1.203 1.00 0.00 H new TER 1800 U B 107