USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 506 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: C 20 THR OG1 : rot -120:sc= 0.869 USER MOD Set 1.2: C 22 THR OG1 : rot 172:sc= -3! USER MOD Set 2.1: C 16 TYR OH : rot -124:sc= 0.844 USER MOD Set 2.2: C 18 SER OG : rot 67:sc= -1.58! USER MOD Single : C 9 THR OG1 : rot 23:sc= 0.309 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 25 SER OG : rot 180:sc= 0.00201 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 33 GLN : amide:sc= -4.21! C(o=-4.2!,f=-13!) USER MOD Single : C 36 ASN : amide:sc= 0.0297 K(o=0.03,f=-1.8!) USER MOD Single : C 37 ASN :FLIP amide:sc= -0.552 F(o=-1.2,f=-0.55) USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 46 HIS :FLIP no HE2:sc= -13! C(o=-14!,f=-13!) USER MOD Single : C 47 SER OG : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 56:sc= 0.797 USER MOD Single : C 50 THR OG1 : rot -160:sc= -1.84! USER MOD Single : C 52 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : C 53 THR OG1 : rot 180:sc= 0 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot 180:sc= -0.0989 USER MOD Single : C 59 ASN : amide:sc= -2.41! C(o=-2.4!,f=-8.9!) USER MOD Single : C 60 TYR OH : rot -39:sc= 0.603 USER MOD Single : C 64 SER OG : rot -61:sc= 1.11 USER MOD Single : R 79 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 4.699 3.085 -25.605 1.00 0.00 N ATOM 2 CA THR C 9 3.582 3.724 -24.852 1.00 0.00 C ATOM 3 C THR C 9 3.270 2.899 -23.602 1.00 0.00 C ATOM 4 O THR C 9 2.644 1.860 -23.673 1.00 0.00 O ATOM 5 CB THR C 9 2.339 3.789 -25.743 1.00 0.00 C ATOM 6 OG1 THR C 9 2.696 4.308 -27.017 1.00 0.00 O ATOM 7 CG2 THR C 9 1.292 4.698 -25.096 1.00 0.00 C ATOM 0 HA THR C 9 3.873 4.732 -24.558 1.00 0.00 H new ATOM 0 HB THR C 9 1.925 2.788 -25.862 1.00 0.00 H new ATOM 0 HG1 THR C 9 3.653 4.164 -27.173 1.00 0.00 H new ATOM 0 HG21 THR C 9 0.407 4.744 -25.731 1.00 0.00 H new ATOM 0 HG22 THR C 9 1.017 4.299 -24.119 1.00 0.00 H new ATOM 0 HG23 THR C 9 1.704 5.700 -24.976 1.00 0.00 H new ATOM 14 N PHE C 10 3.703 3.352 -22.457 1.00 0.00 N ATOM 15 CA PHE C 10 3.430 2.592 -21.205 1.00 0.00 C ATOM 16 C PHE C 10 2.093 3.046 -20.618 1.00 0.00 C ATOM 17 O PHE C 10 1.644 4.150 -20.855 1.00 0.00 O ATOM 18 CB PHE C 10 4.547 2.853 -20.194 1.00 0.00 C ATOM 19 CG PHE C 10 5.619 1.768 -20.327 1.00 0.00 C ATOM 20 CD1 PHE C 10 6.086 1.395 -21.574 1.00 0.00 C ATOM 21 CD2 PHE C 10 6.132 1.147 -19.202 1.00 0.00 C ATOM 22 CE1 PHE C 10 7.051 0.416 -21.695 1.00 0.00 C ATOM 23 CE2 PHE C 10 7.097 0.168 -19.325 1.00 0.00 C ATOM 24 CZ PHE C 10 7.556 -0.197 -20.570 1.00 0.00 C ATOM 0 H PHE C 10 4.233 4.215 -22.335 1.00 0.00 H new ATOM 0 HA PHE C 10 3.387 1.526 -21.428 1.00 0.00 H new ATOM 0 HB2 PHE C 10 4.986 3.836 -20.366 1.00 0.00 H new ATOM 0 HB3 PHE C 10 4.142 2.857 -19.182 1.00 0.00 H new ATOM 0 HD1 PHE C 10 5.693 1.873 -22.459 1.00 0.00 H new ATOM 0 HD2 PHE C 10 5.775 1.430 -18.223 1.00 0.00 H new ATOM 0 HE1 PHE C 10 7.410 0.130 -22.673 1.00 0.00 H new ATOM 0 HE2 PHE C 10 7.493 -0.313 -18.442 1.00 0.00 H new ATOM 0 HZ PHE C 10 8.311 -0.963 -20.665 1.00 0.00 H new ATOM 34 N VAL C 11 1.453 2.205 -19.853 1.00 0.00 N ATOM 35 CA VAL C 11 0.146 2.592 -19.253 1.00 0.00 C ATOM 36 C VAL C 11 0.150 2.261 -17.760 1.00 0.00 C ATOM 37 O VAL C 11 0.485 1.165 -17.357 1.00 0.00 O ATOM 38 CB VAL C 11 -0.981 1.821 -19.944 1.00 0.00 C ATOM 39 CG1 VAL C 11 -2.326 2.239 -19.347 1.00 0.00 C ATOM 40 CG2 VAL C 11 -0.968 2.136 -21.441 1.00 0.00 C ATOM 0 H VAL C 11 1.779 1.267 -19.618 1.00 0.00 H new ATOM 0 HA VAL C 11 -0.011 3.662 -19.386 1.00 0.00 H new ATOM 0 HB VAL C 11 -0.835 0.751 -19.795 1.00 0.00 H new ATOM 0 HG11 VAL C 11 -3.129 1.690 -19.839 1.00 0.00 H new ATOM 0 HG12 VAL C 11 -2.335 2.017 -18.280 1.00 0.00 H new ATOM 0 HG13 VAL C 11 -2.474 3.309 -19.496 1.00 0.00 H new ATOM 0 HG21 VAL C 11 -1.770 1.588 -21.935 1.00 0.00 H new ATOM 0 HG22 VAL C 11 -1.115 3.206 -21.589 1.00 0.00 H new ATOM 0 HG23 VAL C 11 -0.010 1.839 -21.867 1.00 0.00 H new ATOM 50 N ALA C 12 -0.221 3.202 -16.935 1.00 0.00 N ATOM 51 CA ALA C 12 -0.239 2.943 -15.468 1.00 0.00 C ATOM 52 C ALA C 12 -1.398 2.005 -15.129 1.00 0.00 C ATOM 53 O ALA C 12 -2.553 2.363 -15.243 1.00 0.00 O ATOM 54 CB ALA C 12 -0.418 4.266 -14.722 1.00 0.00 C ATOM 0 H ALA C 12 -0.512 4.139 -17.214 1.00 0.00 H new ATOM 0 HA ALA C 12 0.701 2.480 -15.168 1.00 0.00 H new ATOM 0 HB1 ALA C 12 -0.432 4.079 -13.648 1.00 0.00 H new ATOM 0 HB2 ALA C 12 0.408 4.935 -14.964 1.00 0.00 H new ATOM 0 HB3 ALA C 12 -1.358 4.728 -15.022 1.00 0.00 H new ATOM 60 N LEU C 13 -1.098 0.805 -14.712 1.00 0.00 N ATOM 61 CA LEU C 13 -2.184 -0.155 -14.366 1.00 0.00 C ATOM 62 C LEU C 13 -2.941 0.348 -13.137 1.00 0.00 C ATOM 63 O LEU C 13 -4.156 0.353 -13.104 1.00 0.00 O ATOM 64 CB LEU C 13 -1.578 -1.524 -14.052 1.00 0.00 C ATOM 65 CG LEU C 13 -0.628 -1.939 -15.176 1.00 0.00 C ATOM 66 CD1 LEU C 13 0.464 -2.846 -14.606 1.00 0.00 C ATOM 67 CD2 LEU C 13 -1.411 -2.698 -16.249 1.00 0.00 C ATOM 0 H LEU C 13 -0.149 0.449 -14.596 1.00 0.00 H new ATOM 0 HA LEU C 13 -2.868 -0.240 -15.210 1.00 0.00 H new ATOM 0 HB2 LEU C 13 -1.040 -1.485 -13.105 1.00 0.00 H new ATOM 0 HB3 LEU C 13 -2.369 -2.265 -13.940 1.00 0.00 H new ATOM 0 HG LEU C 13 -0.173 -1.052 -15.617 1.00 0.00 H new ATOM 0 HD11 LEU C 13 1.143 -3.144 -15.405 1.00 0.00 H new ATOM 0 HD12 LEU C 13 1.020 -2.308 -13.839 1.00 0.00 H new ATOM 0 HD13 LEU C 13 0.008 -3.734 -14.168 1.00 0.00 H new ATOM 0 HD21 LEU C 13 -0.735 -2.995 -17.051 1.00 0.00 H new ATOM 0 HD22 LEU C 13 -1.864 -3.586 -15.809 1.00 0.00 H new ATOM 0 HD23 LEU C 13 -2.193 -2.054 -16.653 1.00 0.00 H new ATOM 79 N TYR C 14 -2.236 0.772 -12.124 1.00 0.00 N ATOM 80 CA TYR C 14 -2.923 1.273 -10.899 1.00 0.00 C ATOM 81 C TYR C 14 -2.634 2.763 -10.718 1.00 0.00 C ATOM 82 O TYR C 14 -1.561 3.242 -11.029 1.00 0.00 O ATOM 83 CB TYR C 14 -2.418 0.508 -9.669 1.00 0.00 C ATOM 84 CG TYR C 14 -1.931 -0.884 -10.083 1.00 0.00 C ATOM 85 CD1 TYR C 14 -2.619 -1.615 -11.031 1.00 0.00 C ATOM 86 CD2 TYR C 14 -0.794 -1.424 -9.519 1.00 0.00 C ATOM 87 CE1 TYR C 14 -2.174 -2.866 -11.409 1.00 0.00 C ATOM 88 CE2 TYR C 14 -0.350 -2.674 -9.897 1.00 0.00 C ATOM 89 CZ TYR C 14 -1.036 -3.405 -10.844 1.00 0.00 C ATOM 90 OH TYR C 14 -0.592 -4.656 -11.221 1.00 0.00 O ATOM 0 H TYR C 14 -1.217 0.793 -12.091 1.00 0.00 H new ATOM 0 HA TYR C 14 -3.997 1.119 -11.007 1.00 0.00 H new ATOM 0 HB2 TYR C 14 -1.607 1.060 -9.195 1.00 0.00 H new ATOM 0 HB3 TYR C 14 -3.216 0.419 -8.932 1.00 0.00 H new ATOM 0 HD1 TYR C 14 -3.512 -1.205 -11.480 1.00 0.00 H new ATOM 0 HD2 TYR C 14 -0.247 -0.864 -8.775 1.00 0.00 H new ATOM 0 HE1 TYR C 14 -2.721 -3.427 -12.152 1.00 0.00 H new ATOM 0 HE2 TYR C 14 0.542 -3.084 -9.448 1.00 0.00 H new ATOM 0 HH TYR C 14 0.223 -4.878 -10.724 1.00 0.00 H new ATOM 100 N ASP C 15 -3.587 3.499 -10.219 1.00 0.00 N ATOM 101 CA ASP C 15 -3.375 4.960 -10.016 1.00 0.00 C ATOM 102 C ASP C 15 -2.237 5.176 -9.014 1.00 0.00 C ATOM 103 O ASP C 15 -2.333 4.806 -7.861 1.00 0.00 O ATOM 104 CB ASP C 15 -4.662 5.588 -9.472 1.00 0.00 C ATOM 105 CG ASP C 15 -4.374 7.004 -8.969 1.00 0.00 C ATOM 106 OD1 ASP C 15 -3.296 7.503 -9.246 1.00 0.00 O ATOM 107 OD2 ASP C 15 -5.237 7.566 -8.315 1.00 0.00 O ATOM 0 H ASP C 15 -4.505 3.152 -9.942 1.00 0.00 H new ATOM 0 HA ASP C 15 -3.115 5.427 -10.966 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -5.422 5.617 -10.253 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -5.061 4.978 -8.661 1.00 0.00 H new ATOM 112 N TYR C 16 -1.158 5.769 -9.448 1.00 0.00 N ATOM 113 CA TYR C 16 -0.013 6.009 -8.522 1.00 0.00 C ATOM 114 C TYR C 16 -0.149 7.399 -7.898 1.00 0.00 C ATOM 115 O TYR C 16 -0.096 8.404 -8.579 1.00 0.00 O ATOM 116 CB TYR C 16 1.299 5.924 -9.305 1.00 0.00 C ATOM 117 CG TYR C 16 2.464 6.333 -8.400 1.00 0.00 C ATOM 118 CD1 TYR C 16 2.452 6.021 -7.056 1.00 0.00 C ATOM 119 CD2 TYR C 16 3.546 7.015 -8.920 1.00 0.00 C ATOM 120 CE1 TYR C 16 3.507 6.387 -6.243 1.00 0.00 C ATOM 121 CE2 TYR C 16 4.600 7.380 -8.106 1.00 0.00 C ATOM 122 CZ TYR C 16 4.588 7.069 -6.762 1.00 0.00 C ATOM 123 OH TYR C 16 5.642 7.433 -5.950 1.00 0.00 O ATOM 0 H TYR C 16 -1.019 6.098 -10.404 1.00 0.00 H new ATOM 0 HA TYR C 16 -0.014 5.256 -7.734 1.00 0.00 H new ATOM 0 HB2 TYR C 16 1.450 4.909 -9.673 1.00 0.00 H new ATOM 0 HB3 TYR C 16 1.257 6.576 -10.177 1.00 0.00 H new ATOM 0 HD1 TYR C 16 1.612 5.487 -6.637 1.00 0.00 H new ATOM 0 HD2 TYR C 16 3.568 7.265 -9.971 1.00 0.00 H new ATOM 0 HE1 TYR C 16 3.485 6.137 -5.193 1.00 0.00 H new ATOM 0 HE2 TYR C 16 5.441 7.913 -8.525 1.00 0.00 H new ATOM 0 HH TYR C 16 5.783 8.401 -6.011 1.00 0.00 H new ATOM 133 N GLU C 17 -0.322 7.465 -6.605 1.00 0.00 N ATOM 134 CA GLU C 17 -0.461 8.789 -5.938 1.00 0.00 C ATOM 135 C GLU C 17 0.870 9.184 -5.293 1.00 0.00 C ATOM 136 O GLU C 17 1.028 9.131 -4.090 1.00 0.00 O ATOM 137 CB GLU C 17 -1.545 8.705 -4.861 1.00 0.00 C ATOM 138 CG GLU C 17 -2.857 9.266 -5.414 1.00 0.00 C ATOM 139 CD GLU C 17 -3.709 9.799 -4.260 1.00 0.00 C ATOM 140 OE1 GLU C 17 -3.426 9.447 -3.127 1.00 0.00 O ATOM 141 OE2 GLU C 17 -4.631 10.551 -4.530 1.00 0.00 O ATOM 0 H GLU C 17 -0.373 6.658 -5.983 1.00 0.00 H new ATOM 0 HA GLU C 17 -0.739 9.539 -6.678 1.00 0.00 H new ATOM 0 HB2 GLU C 17 -1.683 7.670 -4.548 1.00 0.00 H new ATOM 0 HB3 GLU C 17 -1.240 9.267 -3.978 1.00 0.00 H new ATOM 0 HG2 GLU C 17 -2.652 10.064 -6.128 1.00 0.00 H new ATOM 0 HG3 GLU C 17 -3.399 8.489 -5.952 1.00 0.00 H new ATOM 148 N SER C 18 1.830 9.579 -6.085 1.00 0.00 N ATOM 149 CA SER C 18 3.149 9.976 -5.517 1.00 0.00 C ATOM 150 C SER C 18 2.946 11.089 -4.486 1.00 0.00 C ATOM 151 O SER C 18 1.842 11.538 -4.252 1.00 0.00 O ATOM 152 CB SER C 18 4.053 10.484 -6.641 1.00 0.00 C ATOM 153 OG SER C 18 5.135 9.582 -6.822 1.00 0.00 O ATOM 0 H SER C 18 1.757 9.644 -7.100 1.00 0.00 H new ATOM 0 HA SER C 18 3.613 9.115 -5.036 1.00 0.00 H new ATOM 0 HB2 SER C 18 3.484 10.577 -7.566 1.00 0.00 H new ATOM 0 HB3 SER C 18 4.430 11.477 -6.398 1.00 0.00 H new ATOM 0 HG SER C 18 4.796 8.730 -7.167 1.00 0.00 H new ATOM 159 N ARG C 19 4.004 11.537 -3.868 1.00 0.00 N ATOM 160 CA ARG C 19 3.872 12.620 -2.853 1.00 0.00 C ATOM 161 C ARG C 19 5.053 13.585 -2.979 1.00 0.00 C ATOM 162 O ARG C 19 5.643 13.990 -1.997 1.00 0.00 O ATOM 163 CB ARG C 19 3.860 12.008 -1.451 1.00 0.00 C ATOM 164 CG ARG C 19 2.794 10.914 -1.380 1.00 0.00 C ATOM 165 CD ARG C 19 3.473 9.544 -1.311 1.00 0.00 C ATOM 166 NE ARG C 19 2.479 8.480 -1.627 1.00 0.00 N ATOM 167 CZ ARG C 19 2.882 7.275 -1.929 1.00 0.00 C ATOM 168 NH1 ARG C 19 4.159 6.998 -1.959 1.00 0.00 N ATOM 169 NH2 ARG C 19 2.009 6.345 -2.204 1.00 0.00 N ATOM 0 H ARG C 19 4.954 11.200 -4.022 1.00 0.00 H new ATOM 0 HA ARG C 19 2.941 13.162 -3.020 1.00 0.00 H new ATOM 0 HB2 ARG C 19 4.840 11.592 -1.216 1.00 0.00 H new ATOM 0 HB3 ARG C 19 3.655 12.779 -0.708 1.00 0.00 H new ATOM 0 HG2 ARG C 19 2.162 11.063 -0.504 1.00 0.00 H new ATOM 0 HG3 ARG C 19 2.145 10.967 -2.254 1.00 0.00 H new ATOM 0 HD2 ARG C 19 4.303 9.502 -2.016 1.00 0.00 H new ATOM 0 HD3 ARG C 19 3.890 9.383 -0.317 1.00 0.00 H new ATOM 0 HE ARG C 19 1.482 8.693 -1.607 1.00 0.00 H new ATOM 0 HH11 ARG C 19 4.843 7.724 -1.746 1.00 0.00 H new ATOM 0 HH12 ARG C 19 4.471 6.056 -2.195 1.00 0.00 H new ATOM 0 HH21 ARG C 19 1.012 6.559 -2.183 1.00 0.00 H new ATOM 0 HH22 ARG C 19 2.324 5.404 -2.440 1.00 0.00 H new ATOM 183 N THR C 20 5.404 13.956 -4.180 1.00 0.00 N ATOM 184 CA THR C 20 6.548 14.894 -4.367 1.00 0.00 C ATOM 185 C THR C 20 6.596 15.354 -5.827 1.00 0.00 C ATOM 186 O THR C 20 6.101 14.688 -6.715 1.00 0.00 O ATOM 187 CB THR C 20 7.856 14.181 -4.015 1.00 0.00 C ATOM 188 OG1 THR C 20 8.934 15.102 -4.110 1.00 0.00 O ATOM 189 CG2 THR C 20 8.086 13.021 -4.986 1.00 0.00 C ATOM 0 H THR C 20 4.948 13.650 -5.040 1.00 0.00 H new ATOM 0 HA THR C 20 6.419 15.759 -3.716 1.00 0.00 H new ATOM 0 HB THR C 20 7.797 13.793 -2.998 1.00 0.00 H new ATOM 0 HG1 THR C 20 9.579 14.784 -4.776 1.00 0.00 H new ATOM 0 HG21 THR C 20 9.018 12.515 -4.734 1.00 0.00 H new ATOM 0 HG22 THR C 20 7.258 12.316 -4.913 1.00 0.00 H new ATOM 0 HG23 THR C 20 8.146 13.405 -6.004 1.00 0.00 H new ATOM 197 N GLU C 21 7.186 16.491 -6.081 1.00 0.00 N ATOM 198 CA GLU C 21 7.266 16.993 -7.478 1.00 0.00 C ATOM 199 C GLU C 21 8.151 16.061 -8.312 1.00 0.00 C ATOM 200 O GLU C 21 8.074 16.038 -9.525 1.00 0.00 O ATOM 201 CB GLU C 21 7.859 18.407 -7.469 1.00 0.00 C ATOM 202 CG GLU C 21 9.381 18.340 -7.305 1.00 0.00 C ATOM 203 CD GLU C 21 9.725 17.702 -5.957 1.00 0.00 C ATOM 204 OE1 GLU C 21 9.256 18.205 -4.950 1.00 0.00 O ATOM 205 OE2 GLU C 21 10.450 16.721 -5.958 1.00 0.00 O ATOM 0 H GLU C 21 7.616 17.093 -5.379 1.00 0.00 H new ATOM 0 HA GLU C 21 6.269 17.019 -7.917 1.00 0.00 H new ATOM 0 HB2 GLU C 21 7.608 18.921 -8.397 1.00 0.00 H new ATOM 0 HB3 GLU C 21 7.423 18.987 -6.656 1.00 0.00 H new ATOM 0 HG2 GLU C 21 9.819 17.758 -8.116 1.00 0.00 H new ATOM 0 HG3 GLU C 21 9.808 19.341 -7.364 1.00 0.00 H new ATOM 212 N THR C 22 8.992 15.293 -7.674 1.00 0.00 N ATOM 213 CA THR C 22 9.879 14.366 -8.433 1.00 0.00 C ATOM 214 C THR C 22 9.026 13.339 -9.184 1.00 0.00 C ATOM 215 O THR C 22 8.599 13.570 -10.297 1.00 0.00 O ATOM 216 CB THR C 22 10.814 13.642 -7.462 1.00 0.00 C ATOM 217 OG1 THR C 22 10.277 13.713 -6.148 1.00 0.00 O ATOM 218 CG2 THR C 22 12.192 14.305 -7.487 1.00 0.00 C ATOM 0 H THR C 22 9.103 15.267 -6.660 1.00 0.00 H new ATOM 0 HA THR C 22 10.471 14.937 -9.148 1.00 0.00 H new ATOM 0 HB THR C 22 10.910 12.598 -7.761 1.00 0.00 H new ATOM 0 HG1 THR C 22 10.803 13.144 -5.548 1.00 0.00 H new ATOM 0 HG21 THR C 22 12.857 13.788 -6.795 1.00 0.00 H new ATOM 0 HG22 THR C 22 12.604 14.251 -8.495 1.00 0.00 H new ATOM 0 HG23 THR C 22 12.099 15.349 -7.189 1.00 0.00 H new ATOM 226 N ASP C 23 8.775 12.208 -8.584 1.00 0.00 N ATOM 227 CA ASP C 23 7.951 11.171 -9.266 1.00 0.00 C ATOM 228 C ASP C 23 6.621 11.787 -9.704 1.00 0.00 C ATOM 229 O ASP C 23 5.968 12.480 -8.950 1.00 0.00 O ATOM 230 CB ASP C 23 7.684 10.012 -8.302 1.00 0.00 C ATOM 231 CG ASP C 23 9.013 9.471 -7.768 1.00 0.00 C ATOM 232 OD1 ASP C 23 10.012 10.156 -7.917 1.00 0.00 O ATOM 233 OD2 ASP C 23 9.009 8.381 -7.221 1.00 0.00 O ATOM 0 H ASP C 23 9.105 11.957 -7.652 1.00 0.00 H new ATOM 0 HA ASP C 23 8.486 10.798 -10.140 1.00 0.00 H new ATOM 0 HB2 ASP C 23 7.059 10.350 -7.475 1.00 0.00 H new ATOM 0 HB3 ASP C 23 7.136 9.220 -8.813 1.00 0.00 H new ATOM 238 N LEU C 24 6.217 11.539 -10.919 1.00 0.00 N ATOM 239 CA LEU C 24 4.931 12.108 -11.410 1.00 0.00 C ATOM 240 C LEU C 24 3.794 11.125 -11.132 1.00 0.00 C ATOM 241 O LEU C 24 3.784 10.017 -11.631 1.00 0.00 O ATOM 242 CB LEU C 24 5.030 12.363 -12.915 1.00 0.00 C ATOM 243 CG LEU C 24 5.601 13.762 -13.158 1.00 0.00 C ATOM 244 CD1 LEU C 24 5.694 14.020 -14.664 1.00 0.00 C ATOM 245 CD2 LEU C 24 4.684 14.806 -12.518 1.00 0.00 C ATOM 0 H LEU C 24 6.723 10.966 -11.594 1.00 0.00 H new ATOM 0 HA LEU C 24 4.730 13.047 -10.894 1.00 0.00 H new ATOM 0 HB2 LEU C 24 5.668 11.612 -13.381 1.00 0.00 H new ATOM 0 HB3 LEU C 24 4.046 12.275 -13.375 1.00 0.00 H new ATOM 0 HG LEU C 24 6.594 13.831 -12.715 1.00 0.00 H new ATOM 0 HD11 LEU C 24 6.101 15.016 -14.838 1.00 0.00 H new ATOM 0 HD12 LEU C 24 6.347 13.277 -15.121 1.00 0.00 H new ATOM 0 HD13 LEU C 24 4.700 13.951 -15.107 1.00 0.00 H new ATOM 0 HD21 LEU C 24 5.091 15.802 -12.691 1.00 0.00 H new ATOM 0 HD22 LEU C 24 3.690 14.738 -12.961 1.00 0.00 H new ATOM 0 HD23 LEU C 24 4.617 14.623 -11.446 1.00 0.00 H new ATOM 257 N SER C 25 2.834 11.517 -10.342 1.00 0.00 N ATOM 258 CA SER C 25 1.701 10.602 -10.037 1.00 0.00 C ATOM 259 C SER C 25 0.839 10.431 -11.288 1.00 0.00 C ATOM 260 O SER C 25 0.683 11.345 -12.074 1.00 0.00 O ATOM 261 CB SER C 25 0.852 11.197 -8.914 1.00 0.00 C ATOM 262 OG SER C 25 1.631 12.122 -8.170 1.00 0.00 O ATOM 0 H SER C 25 2.786 12.432 -9.894 1.00 0.00 H new ATOM 0 HA SER C 25 2.090 9.633 -9.724 1.00 0.00 H new ATOM 0 HB2 SER C 25 -0.024 11.695 -9.331 1.00 0.00 H new ATOM 0 HB3 SER C 25 0.487 10.404 -8.261 1.00 0.00 H new ATOM 0 HG SER C 25 1.086 12.505 -7.451 1.00 0.00 H new ATOM 268 N PHE C 26 0.274 9.272 -11.478 1.00 0.00 N ATOM 269 CA PHE C 26 -0.578 9.050 -12.679 1.00 0.00 C ATOM 270 C PHE C 26 -1.854 8.319 -12.267 1.00 0.00 C ATOM 271 O PHE C 26 -1.994 7.878 -11.145 1.00 0.00 O ATOM 272 CB PHE C 26 0.184 8.211 -13.709 1.00 0.00 C ATOM 273 CG PHE C 26 0.996 7.129 -13.000 1.00 0.00 C ATOM 274 CD1 PHE C 26 0.391 5.947 -12.621 1.00 0.00 C ATOM 275 CD2 PHE C 26 2.343 7.309 -12.742 1.00 0.00 C ATOM 276 CE1 PHE C 26 1.119 4.956 -11.996 1.00 0.00 C ATOM 277 CE2 PHE C 26 3.073 6.318 -12.116 1.00 0.00 C ATOM 278 CZ PHE C 26 2.460 5.142 -11.743 1.00 0.00 C ATOM 0 H PHE C 26 0.365 8.470 -10.855 1.00 0.00 H new ATOM 0 HA PHE C 26 -0.835 10.012 -13.122 1.00 0.00 H new ATOM 0 HB2 PHE C 26 -0.516 7.753 -14.408 1.00 0.00 H new ATOM 0 HB3 PHE C 26 0.846 8.850 -14.294 1.00 0.00 H new ATOM 0 HD1 PHE C 26 -0.661 5.797 -12.816 1.00 0.00 H new ATOM 0 HD2 PHE C 26 2.827 8.230 -13.032 1.00 0.00 H new ATOM 0 HE1 PHE C 26 0.637 4.034 -11.705 1.00 0.00 H new ATOM 0 HE2 PHE C 26 4.125 6.465 -11.919 1.00 0.00 H new ATOM 0 HZ PHE C 26 3.030 4.367 -11.253 1.00 0.00 H new ATOM 288 N LYS C 27 -2.787 8.186 -13.169 1.00 0.00 N ATOM 289 CA LYS C 27 -4.056 7.481 -12.828 1.00 0.00 C ATOM 290 C LYS C 27 -4.337 6.401 -13.874 1.00 0.00 C ATOM 291 O LYS C 27 -3.836 6.447 -14.980 1.00 0.00 O ATOM 292 CB LYS C 27 -5.209 8.487 -12.812 1.00 0.00 C ATOM 293 CG LYS C 27 -5.343 9.089 -11.412 1.00 0.00 C ATOM 294 CD LYS C 27 -6.623 8.571 -10.754 1.00 0.00 C ATOM 295 CE LYS C 27 -7.822 8.878 -11.654 1.00 0.00 C ATOM 296 NZ LYS C 27 -9.069 8.864 -10.840 1.00 0.00 N ATOM 0 H LYS C 27 -2.726 8.534 -14.126 1.00 0.00 H new ATOM 0 HA LYS C 27 -3.962 7.019 -11.845 1.00 0.00 H new ATOM 0 HB2 LYS C 27 -5.028 9.275 -13.542 1.00 0.00 H new ATOM 0 HB3 LYS C 27 -6.139 7.995 -13.098 1.00 0.00 H new ATOM 0 HG2 LYS C 27 -4.477 8.823 -10.806 1.00 0.00 H new ATOM 0 HG3 LYS C 27 -5.368 10.177 -11.473 1.00 0.00 H new ATOM 0 HD2 LYS C 27 -6.548 7.497 -10.585 1.00 0.00 H new ATOM 0 HD3 LYS C 27 -6.758 9.039 -9.779 1.00 0.00 H new ATOM 0 HE2 LYS C 27 -7.695 9.851 -12.128 1.00 0.00 H new ATOM 0 HE3 LYS C 27 -7.889 8.140 -12.454 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 -9.885 9.073 -11.451 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 -9.191 7.926 -10.408 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 -9.004 9.584 -10.092 1.00 0.00 H new ATOM 310 N LYS C 28 -5.137 5.429 -13.533 1.00 0.00 N ATOM 311 CA LYS C 28 -5.453 4.347 -14.507 1.00 0.00 C ATOM 312 C LYS C 28 -5.744 4.967 -15.874 1.00 0.00 C ATOM 313 O LYS C 28 -6.517 5.897 -15.993 1.00 0.00 O ATOM 314 CB LYS C 28 -6.679 3.570 -14.020 1.00 0.00 C ATOM 315 CG LYS C 28 -7.140 2.598 -15.110 1.00 0.00 C ATOM 316 CD LYS C 28 -6.222 1.374 -15.126 1.00 0.00 C ATOM 317 CE LYS C 28 -7.069 0.102 -15.203 1.00 0.00 C ATOM 318 NZ LYS C 28 -6.695 -0.671 -16.420 1.00 0.00 N ATOM 0 H LYS C 28 -5.586 5.337 -12.622 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.605 3.667 -14.592 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -6.436 3.022 -13.110 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -7.484 4.261 -13.771 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -8.170 2.291 -14.926 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -7.123 3.091 -16.082 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -5.545 1.425 -15.979 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -5.604 1.358 -14.229 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -6.914 -0.506 -14.311 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -8.128 0.359 -15.233 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -7.271 -1.536 -16.473 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -6.865 -0.090 -17.266 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -5.688 -0.928 -16.372 1.00 0.00 H new ATOM 332 N GLY C 29 -5.131 4.460 -16.910 1.00 0.00 N ATOM 333 CA GLY C 29 -5.376 5.021 -18.269 1.00 0.00 C ATOM 334 C GLY C 29 -4.399 6.169 -18.531 1.00 0.00 C ATOM 335 O GLY C 29 -4.555 6.927 -19.468 1.00 0.00 O ATOM 0 H GLY C 29 -4.472 3.682 -16.873 1.00 0.00 H new ATOM 0 HA2 GLY C 29 -5.251 4.244 -19.023 1.00 0.00 H new ATOM 0 HA3 GLY C 29 -6.403 5.378 -18.347 1.00 0.00 H new ATOM 339 N GLU C 30 -3.392 6.304 -17.712 1.00 0.00 N ATOM 340 CA GLU C 30 -2.408 7.404 -17.917 1.00 0.00 C ATOM 341 C GLU C 30 -1.310 6.936 -18.873 1.00 0.00 C ATOM 342 O GLU C 30 -0.705 5.900 -18.679 1.00 0.00 O ATOM 343 CB GLU C 30 -1.784 7.787 -16.573 1.00 0.00 C ATOM 344 CG GLU C 30 -0.856 8.988 -16.765 1.00 0.00 C ATOM 345 CD GLU C 30 -1.663 10.177 -17.288 1.00 0.00 C ATOM 346 OE1 GLU C 30 -2.875 10.152 -17.152 1.00 0.00 O ATOM 347 OE2 GLU C 30 -1.055 11.095 -17.815 1.00 0.00 O ATOM 0 H GLU C 30 -3.208 5.701 -16.910 1.00 0.00 H new ATOM 0 HA GLU C 30 -2.915 8.270 -18.343 1.00 0.00 H new ATOM 0 HB2 GLU C 30 -2.566 8.029 -15.853 1.00 0.00 H new ATOM 0 HB3 GLU C 30 -1.226 6.944 -16.166 1.00 0.00 H new ATOM 0 HG2 GLU C 30 -0.378 9.247 -15.820 1.00 0.00 H new ATOM 0 HG3 GLU C 30 -0.060 8.738 -17.467 1.00 0.00 H new ATOM 354 N ARG C 31 -1.047 7.691 -19.904 1.00 0.00 N ATOM 355 CA ARG C 31 0.011 7.289 -20.873 1.00 0.00 C ATOM 356 C ARG C 31 1.318 8.003 -20.526 1.00 0.00 C ATOM 357 O ARG C 31 1.390 9.217 -20.513 1.00 0.00 O ATOM 358 CB ARG C 31 -0.420 7.674 -22.290 1.00 0.00 C ATOM 359 CG ARG C 31 -1.284 6.559 -22.880 1.00 0.00 C ATOM 360 CD ARG C 31 -2.263 7.156 -23.893 1.00 0.00 C ATOM 361 NE ARG C 31 -3.458 7.684 -23.176 1.00 0.00 N ATOM 362 CZ ARG C 31 -4.253 8.537 -23.766 1.00 0.00 C ATOM 363 NH1 ARG C 31 -4.006 8.930 -24.987 1.00 0.00 N ATOM 364 NH2 ARG C 31 -5.297 8.996 -23.133 1.00 0.00 N ATOM 0 H ARG C 31 -1.519 8.569 -20.117 1.00 0.00 H new ATOM 0 HA ARG C 31 0.161 6.211 -20.820 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -0.979 8.610 -22.270 1.00 0.00 H new ATOM 0 HB3 ARG C 31 0.457 7.839 -22.916 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -0.654 5.813 -23.363 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -1.830 6.049 -22.087 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -1.780 7.956 -24.454 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -2.564 6.397 -24.615 1.00 0.00 H new ATOM 0 HE ARG C 31 -3.656 7.379 -22.223 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -3.190 8.571 -25.483 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -4.629 9.596 -25.444 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -5.491 8.689 -22.180 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -5.919 9.662 -23.591 1.00 0.00 H new ATOM 378 N LEU C 32 2.354 7.261 -20.244 1.00 0.00 N ATOM 379 CA LEU C 32 3.656 7.897 -19.898 1.00 0.00 C ATOM 380 C LEU C 32 4.777 7.216 -20.684 1.00 0.00 C ATOM 381 O LEU C 32 5.162 6.101 -20.394 1.00 0.00 O ATOM 382 CB LEU C 32 3.917 7.739 -18.399 1.00 0.00 C ATOM 383 CG LEU C 32 2.663 8.135 -17.616 1.00 0.00 C ATOM 384 CD1 LEU C 32 1.968 6.876 -17.095 1.00 0.00 C ATOM 385 CD2 LEU C 32 3.056 9.026 -16.436 1.00 0.00 C ATOM 0 H LEU C 32 2.355 6.241 -20.238 1.00 0.00 H new ATOM 0 HA LEU C 32 3.624 8.957 -20.152 1.00 0.00 H new ATOM 0 HB2 LEU C 32 4.189 6.708 -18.173 1.00 0.00 H new ATOM 0 HB3 LEU C 32 4.758 8.363 -18.098 1.00 0.00 H new ATOM 0 HG LEU C 32 1.984 8.680 -18.271 1.00 0.00 H new ATOM 0 HD11 LEU C 32 1.075 7.158 -16.537 1.00 0.00 H new ATOM 0 HD12 LEU C 32 1.686 6.242 -17.935 1.00 0.00 H new ATOM 0 HD13 LEU C 32 2.647 6.330 -16.440 1.00 0.00 H new ATOM 0 HD21 LEU C 32 2.162 9.307 -15.879 1.00 0.00 H new ATOM 0 HD22 LEU C 32 3.736 8.482 -15.780 1.00 0.00 H new ATOM 0 HD23 LEU C 32 3.550 9.924 -16.807 1.00 0.00 H new ATOM 397 N GLN C 33 5.303 7.876 -21.680 1.00 0.00 N ATOM 398 CA GLN C 33 6.398 7.262 -22.481 1.00 0.00 C ATOM 399 C GLN C 33 7.630 7.065 -21.596 1.00 0.00 C ATOM 400 O GLN C 33 8.367 7.992 -21.325 1.00 0.00 O ATOM 401 CB GLN C 33 6.752 8.178 -23.654 1.00 0.00 C ATOM 402 CG GLN C 33 5.992 7.721 -24.902 1.00 0.00 C ATOM 403 CD GLN C 33 4.561 8.259 -24.853 1.00 0.00 C ATOM 404 OE1 GLN C 33 4.065 8.604 -23.799 1.00 0.00 O ATOM 405 NE2 GLN C 33 3.872 8.347 -25.958 1.00 0.00 N ATOM 0 H GLN C 33 5.022 8.812 -21.973 1.00 0.00 H new ATOM 0 HA GLN C 33 6.068 6.296 -22.864 1.00 0.00 H new ATOM 0 HB2 GLN C 33 6.494 9.210 -23.415 1.00 0.00 H new ATOM 0 HB3 GLN C 33 7.826 8.152 -23.839 1.00 0.00 H new ATOM 0 HG2 GLN C 33 6.496 8.079 -25.799 1.00 0.00 H new ATOM 0 HG3 GLN C 33 5.981 6.632 -24.956 1.00 0.00 H new ATOM 0 HE21 GLN C 33 4.288 8.057 -26.843 1.00 0.00 H new ATOM 0 HE22 GLN C 33 2.917 8.705 -25.937 1.00 0.00 H new ATOM 414 N ILE C 34 7.856 5.863 -21.140 1.00 0.00 N ATOM 415 CA ILE C 34 9.038 5.606 -20.271 1.00 0.00 C ATOM 416 C ILE C 34 10.263 6.314 -20.853 1.00 0.00 C ATOM 417 O ILE C 34 10.278 6.702 -22.005 1.00 0.00 O ATOM 418 CB ILE C 34 9.303 4.101 -20.207 1.00 0.00 C ATOM 419 CG1 ILE C 34 8.102 3.397 -19.572 1.00 0.00 C ATOM 420 CG2 ILE C 34 10.551 3.838 -19.361 1.00 0.00 C ATOM 421 CD1 ILE C 34 7.747 4.083 -18.252 1.00 0.00 C ATOM 0 H ILE C 34 7.273 5.048 -21.332 1.00 0.00 H new ATOM 0 HA ILE C 34 8.842 5.985 -19.268 1.00 0.00 H new ATOM 0 HB ILE C 34 9.458 3.718 -21.215 1.00 0.00 H new ATOM 0 HG12 ILE C 34 7.249 3.427 -20.250 1.00 0.00 H new ATOM 0 HG13 ILE C 34 8.334 2.346 -19.397 1.00 0.00 H new ATOM 0 HG21 ILE C 34 10.740 2.766 -19.315 1.00 0.00 H new ATOM 0 HG22 ILE C 34 11.408 4.339 -19.811 1.00 0.00 H new ATOM 0 HG23 ILE C 34 10.395 4.222 -18.353 1.00 0.00 H new ATOM 0 HD11 ILE C 34 6.891 3.581 -17.800 1.00 0.00 H new ATOM 0 HD12 ILE C 34 8.599 4.030 -17.574 1.00 0.00 H new ATOM 0 HD13 ILE C 34 7.497 5.127 -18.440 1.00 0.00 H new ATOM 433 N VAL C 35 11.289 6.487 -20.067 1.00 0.00 N ATOM 434 CA VAL C 35 12.511 7.171 -20.577 1.00 0.00 C ATOM 435 C VAL C 35 13.687 6.194 -20.556 1.00 0.00 C ATOM 436 O VAL C 35 14.466 6.122 -21.486 1.00 0.00 O ATOM 437 CB VAL C 35 12.832 8.374 -19.687 1.00 0.00 C ATOM 438 CG1 VAL C 35 14.221 8.911 -20.036 1.00 0.00 C ATOM 439 CG2 VAL C 35 11.790 9.470 -19.917 1.00 0.00 C ATOM 0 H VAL C 35 11.335 6.185 -19.094 1.00 0.00 H new ATOM 0 HA VAL C 35 12.338 7.511 -21.598 1.00 0.00 H new ATOM 0 HB VAL C 35 12.813 8.067 -18.641 1.00 0.00 H new ATOM 0 HG11 VAL C 35 14.450 9.768 -19.402 1.00 0.00 H new ATOM 0 HG12 VAL C 35 14.964 8.131 -19.873 1.00 0.00 H new ATOM 0 HG13 VAL C 35 14.240 9.218 -21.082 1.00 0.00 H new ATOM 0 HG21 VAL C 35 12.018 10.327 -19.284 1.00 0.00 H new ATOM 0 HG22 VAL C 35 11.809 9.776 -20.963 1.00 0.00 H new ATOM 0 HG23 VAL C 35 10.800 9.088 -19.669 1.00 0.00 H new ATOM 449 N ASN C 36 13.820 5.443 -19.501 1.00 0.00 N ATOM 450 CA ASN C 36 14.945 4.469 -19.414 1.00 0.00 C ATOM 451 C ASN C 36 14.742 3.566 -18.196 1.00 0.00 C ATOM 452 O ASN C 36 13.660 3.479 -17.648 1.00 0.00 O ATOM 453 CB ASN C 36 16.265 5.229 -19.271 1.00 0.00 C ATOM 454 CG ASN C 36 17.289 4.662 -20.257 1.00 0.00 C ATOM 455 OD1 ASN C 36 17.952 3.687 -19.968 1.00 0.00 O ATOM 456 ND2 ASN C 36 17.446 5.238 -21.417 1.00 0.00 N ATOM 0 H ASN C 36 13.198 5.460 -18.693 1.00 0.00 H new ATOM 0 HA ASN C 36 14.972 3.860 -20.318 1.00 0.00 H new ATOM 0 HB2 ASN C 36 16.109 6.291 -19.463 1.00 0.00 H new ATOM 0 HB3 ASN C 36 16.639 5.141 -18.251 1.00 0.00 H new ATOM 0 HD21 ASN C 36 18.126 4.869 -22.082 1.00 0.00 H new ATOM 0 HD22 ASN C 36 16.889 6.057 -21.659 1.00 0.00 H new ATOM 463 N ASN C 37 15.773 2.892 -17.766 1.00 0.00 N ATOM 464 CA ASN C 37 15.637 1.995 -16.583 1.00 0.00 C ATOM 465 C ASN C 37 14.708 0.829 -16.926 1.00 0.00 C ATOM 466 O ASN C 37 13.515 1.000 -17.090 1.00 0.00 O ATOM 467 CB ASN C 37 15.054 2.786 -15.412 1.00 0.00 C ATOM 468 CG ASN C 37 15.760 4.140 -15.309 1.00 0.00 C ATOM 469 OD1 ASN C 37 15.193 5.198 -15.820 1.00 0.00 O flip ATOM 470 ND2 ASN C 37 16.840 4.234 -14.760 1.00 0.00 N flip ATOM 0 H ASN C 37 16.704 2.923 -18.182 1.00 0.00 H new ATOM 0 HA ASN C 37 16.617 1.605 -16.308 1.00 0.00 H new ATOM 0 HB2 ASN C 37 13.983 2.932 -15.555 1.00 0.00 H new ATOM 0 HB3 ASN C 37 15.178 2.228 -14.484 1.00 0.00 H new ATOM 0 HD21 ASN C 37 17.283 3.406 -14.361 1.00 0.00 H new ATOM 0 HD22 ASN C 37 17.304 5.140 -14.699 1.00 0.00 H new ATOM 477 N THR C 38 15.244 -0.356 -17.036 1.00 0.00 N ATOM 478 CA THR C 38 14.391 -1.532 -17.368 1.00 0.00 C ATOM 479 C THR C 38 14.312 -2.459 -16.154 1.00 0.00 C ATOM 480 O THR C 38 13.259 -2.955 -15.806 1.00 0.00 O ATOM 481 CB THR C 38 14.998 -2.291 -18.552 1.00 0.00 C ATOM 482 OG1 THR C 38 14.635 -3.662 -18.469 1.00 0.00 O ATOM 483 CG2 THR C 38 16.522 -2.163 -18.522 1.00 0.00 C ATOM 0 H THR C 38 16.235 -0.560 -16.910 1.00 0.00 H new ATOM 0 HA THR C 38 13.390 -1.191 -17.634 1.00 0.00 H new ATOM 0 HB THR C 38 14.621 -1.869 -19.483 1.00 0.00 H new ATOM 0 HG1 THR C 38 15.021 -4.149 -19.227 1.00 0.00 H new ATOM 0 HG21 THR C 38 16.949 -2.704 -19.366 1.00 0.00 H new ATOM 0 HG22 THR C 38 16.800 -1.111 -18.587 1.00 0.00 H new ATOM 0 HG23 THR C 38 16.904 -2.582 -17.591 1.00 0.00 H new ATOM 491 N GLU C 39 15.418 -2.693 -15.509 1.00 0.00 N ATOM 492 CA GLU C 39 15.421 -3.582 -14.321 1.00 0.00 C ATOM 493 C GLU C 39 14.992 -2.783 -13.086 1.00 0.00 C ATOM 494 O GLU C 39 14.278 -1.807 -13.185 1.00 0.00 O ATOM 495 CB GLU C 39 16.833 -4.126 -14.115 1.00 0.00 C ATOM 496 CG GLU C 39 17.303 -4.822 -15.394 1.00 0.00 C ATOM 497 CD GLU C 39 18.335 -5.895 -15.040 1.00 0.00 C ATOM 498 OE1 GLU C 39 19.476 -5.535 -14.799 1.00 0.00 O ATOM 499 OE2 GLU C 39 17.966 -7.058 -15.017 1.00 0.00 O ATOM 0 H GLU C 39 16.327 -2.302 -15.757 1.00 0.00 H new ATOM 0 HA GLU C 39 14.726 -4.408 -14.473 1.00 0.00 H new ATOM 0 HB2 GLU C 39 17.513 -3.314 -13.859 1.00 0.00 H new ATOM 0 HB3 GLU C 39 16.846 -4.827 -13.281 1.00 0.00 H new ATOM 0 HG2 GLU C 39 16.455 -5.274 -15.908 1.00 0.00 H new ATOM 0 HG3 GLU C 39 17.739 -4.094 -16.078 1.00 0.00 H new ATOM 506 N GLY C 40 15.425 -3.190 -11.924 1.00 0.00 N ATOM 507 CA GLY C 40 15.042 -2.452 -10.687 1.00 0.00 C ATOM 508 C GLY C 40 13.517 -2.370 -10.589 1.00 0.00 C ATOM 509 O GLY C 40 12.806 -3.230 -11.071 1.00 0.00 O ATOM 0 H GLY C 40 16.027 -4.001 -11.778 1.00 0.00 H new ATOM 0 HA2 GLY C 40 15.446 -2.958 -9.810 1.00 0.00 H new ATOM 0 HA3 GLY C 40 15.470 -1.450 -10.702 1.00 0.00 H new ATOM 513 N ASP C 41 13.009 -1.340 -9.969 1.00 0.00 N ATOM 514 CA ASP C 41 11.530 -1.201 -9.839 1.00 0.00 C ATOM 515 C ASP C 41 11.152 0.282 -9.876 1.00 0.00 C ATOM 516 O ASP C 41 10.221 0.712 -9.224 1.00 0.00 O ATOM 517 CB ASP C 41 11.075 -1.809 -8.510 1.00 0.00 C ATOM 518 CG ASP C 41 11.958 -3.014 -8.173 1.00 0.00 C ATOM 519 OD1 ASP C 41 11.872 -4.002 -8.881 1.00 0.00 O ATOM 520 OD2 ASP C 41 12.704 -2.925 -7.212 1.00 0.00 O ATOM 0 H ASP C 41 13.554 -0.588 -9.547 1.00 0.00 H new ATOM 0 HA ASP C 41 11.043 -1.722 -10.663 1.00 0.00 H new ATOM 0 HB2 ASP C 41 11.138 -1.065 -7.716 1.00 0.00 H new ATOM 0 HB3 ASP C 41 10.031 -2.116 -8.576 1.00 0.00 H new ATOM 525 N TRP C 42 11.867 1.069 -10.633 1.00 0.00 N ATOM 526 CA TRP C 42 11.548 2.522 -10.711 1.00 0.00 C ATOM 527 C TRP C 42 12.154 3.111 -11.987 1.00 0.00 C ATOM 528 O TRP C 42 13.351 3.074 -12.192 1.00 0.00 O ATOM 529 CB TRP C 42 12.130 3.238 -9.490 1.00 0.00 C ATOM 530 CG TRP C 42 11.282 2.914 -8.258 1.00 0.00 C ATOM 531 CD1 TRP C 42 11.617 2.029 -7.304 1.00 0.00 C ATOM 532 CD2 TRP C 42 10.103 3.462 -7.976 1.00 0.00 C ATOM 533 NE1 TRP C 42 10.589 2.079 -6.455 1.00 0.00 N ATOM 534 CE2 TRP C 42 9.602 2.945 -6.796 1.00 0.00 C ATOM 535 CE3 TRP C 42 9.382 4.411 -8.674 1.00 0.00 C ATOM 536 CZ2 TRP C 42 8.382 3.377 -6.317 1.00 0.00 C ATOM 537 CZ3 TRP C 42 8.162 4.842 -8.192 1.00 0.00 C ATOM 538 CH2 TRP C 42 7.663 4.325 -7.014 1.00 0.00 C ATOM 0 H TRP C 42 12.659 0.768 -11.201 1.00 0.00 H new ATOM 0 HA TRP C 42 10.466 2.656 -10.729 1.00 0.00 H new ATOM 0 HB2 TRP C 42 13.161 2.924 -9.328 1.00 0.00 H new ATOM 0 HB3 TRP C 42 12.147 4.315 -9.660 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.507 1.421 -7.240 1.00 0.00 H new ATOM 0 HE1 TRP C 42 10.548 1.508 -5.611 1.00 0.00 H new ATOM 0 HE3 TRP C 42 9.772 4.816 -9.596 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 7.990 2.972 -5.396 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 7.598 5.584 -8.737 1.00 0.00 H new ATOM 0 HH2 TRP C 42 6.709 4.663 -6.638 1.00 0.00 H new ATOM 549 N TRP C 43 11.337 3.655 -12.845 1.00 0.00 N ATOM 550 CA TRP C 43 11.864 4.246 -14.108 1.00 0.00 C ATOM 551 C TRP C 43 11.383 5.693 -14.234 1.00 0.00 C ATOM 552 O TRP C 43 10.589 6.165 -13.446 1.00 0.00 O ATOM 553 CB TRP C 43 11.347 3.443 -15.303 1.00 0.00 C ATOM 554 CG TRP C 43 11.462 1.947 -15.006 1.00 0.00 C ATOM 555 CD1 TRP C 43 12.514 1.353 -14.417 1.00 0.00 C ATOM 556 CD2 TRP C 43 10.536 1.038 -15.305 1.00 0.00 C ATOM 557 NE1 TRP C 43 12.169 0.065 -14.385 1.00 0.00 N ATOM 558 CE2 TRP C 43 10.953 -0.220 -14.918 1.00 0.00 C ATOM 559 CE3 TRP C 43 9.308 1.203 -15.912 1.00 0.00 C ATOM 560 CZ2 TRP C 43 10.139 -1.314 -15.138 1.00 0.00 C ATOM 561 CZ3 TRP C 43 8.495 0.109 -16.132 1.00 0.00 C ATOM 562 CH2 TRP C 43 8.910 -1.148 -15.745 1.00 0.00 C ATOM 0 H TRP C 43 10.326 3.716 -12.727 1.00 0.00 H new ATOM 0 HA TRP C 43 12.954 4.220 -14.090 1.00 0.00 H new ATOM 0 HB2 TRP C 43 10.309 3.704 -15.508 1.00 0.00 H new ATOM 0 HB3 TRP C 43 11.920 3.692 -16.196 1.00 0.00 H new ATOM 0 HD1 TRP C 43 13.423 1.810 -14.055 1.00 0.00 H new ATOM 0 HE1 TRP C 43 12.775 -0.654 -13.989 1.00 0.00 H new ATOM 0 HE3 TRP C 43 8.983 2.187 -16.215 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 10.464 -2.299 -14.835 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 7.534 0.238 -16.607 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.273 -2.003 -15.917 1.00 0.00 H new ATOM 573 N LEU C 44 11.862 6.402 -15.219 1.00 0.00 N ATOM 574 CA LEU C 44 11.431 7.816 -15.397 1.00 0.00 C ATOM 575 C LEU C 44 10.515 7.904 -16.618 1.00 0.00 C ATOM 576 O LEU C 44 10.937 7.688 -17.736 1.00 0.00 O ATOM 577 CB LEU C 44 12.661 8.702 -15.611 1.00 0.00 C ATOM 578 CG LEU C 44 12.266 10.172 -15.460 1.00 0.00 C ATOM 579 CD1 LEU C 44 11.885 10.452 -14.004 1.00 0.00 C ATOM 580 CD2 LEU C 44 13.449 11.058 -15.855 1.00 0.00 C ATOM 0 H LEU C 44 12.533 6.063 -15.908 1.00 0.00 H new ATOM 0 HA LEU C 44 10.896 8.155 -14.510 1.00 0.00 H new ATOM 0 HB2 LEU C 44 13.436 8.447 -14.888 1.00 0.00 H new ATOM 0 HB3 LEU C 44 13.080 8.527 -16.602 1.00 0.00 H new ATOM 0 HG LEU C 44 11.415 10.388 -16.106 1.00 0.00 H new ATOM 0 HD11 LEU C 44 11.604 11.500 -13.897 1.00 0.00 H new ATOM 0 HD12 LEU C 44 11.044 9.819 -13.720 1.00 0.00 H new ATOM 0 HD13 LEU C 44 12.736 10.237 -13.357 1.00 0.00 H new ATOM 0 HD21 LEU C 44 13.170 12.106 -15.748 1.00 0.00 H new ATOM 0 HD22 LEU C 44 14.298 10.841 -15.207 1.00 0.00 H new ATOM 0 HD23 LEU C 44 13.723 10.859 -16.891 1.00 0.00 H new ATOM 592 N ALA C 45 9.265 8.221 -16.418 1.00 0.00 N ATOM 593 CA ALA C 45 8.332 8.316 -17.575 1.00 0.00 C ATOM 594 C ALA C 45 8.016 9.781 -17.883 1.00 0.00 C ATOM 595 O ALA C 45 8.207 10.659 -17.062 1.00 0.00 O ATOM 596 CB ALA C 45 7.034 7.578 -17.243 1.00 0.00 C ATOM 0 H ALA C 45 8.851 8.418 -15.507 1.00 0.00 H new ATOM 0 HA ALA C 45 8.804 7.863 -18.447 1.00 0.00 H new ATOM 0 HB1 ALA C 45 6.350 7.647 -18.089 1.00 0.00 H new ATOM 0 HB2 ALA C 45 7.253 6.530 -17.038 1.00 0.00 H new ATOM 0 HB3 ALA C 45 6.572 8.031 -16.365 1.00 0.00 H new ATOM 602 N HIS C 46 7.533 10.042 -19.068 1.00 0.00 N ATOM 603 CA HIS C 46 7.194 11.440 -19.456 1.00 0.00 C ATOM 604 C HIS C 46 5.873 11.431 -20.232 1.00 0.00 C ATOM 605 O HIS C 46 5.647 10.591 -21.079 1.00 0.00 O ATOM 606 CB HIS C 46 8.307 12.006 -20.341 1.00 0.00 C ATOM 607 CG HIS C 46 7.933 13.416 -20.799 1.00 0.00 C ATOM 608 ND1 HIS C 46 8.202 14.061 -21.993 1.00 0.00 N flip ATOM 609 CD2 HIS C 46 7.285 14.260 -20.110 1.00 0.00 C flip ATOM 610 CE1 HIS C 46 7.685 15.300 -21.963 1.00 0.00 C flip ATOM 611 NE2 HIS C 46 7.131 15.352 -20.761 1.00 0.00 N flip ATOM 0 H HIS C 46 7.358 9.341 -19.788 1.00 0.00 H new ATOM 0 HA HIS C 46 7.094 12.060 -18.565 1.00 0.00 H new ATOM 0 HB2 HIS C 46 9.247 12.029 -19.790 1.00 0.00 H new ATOM 0 HB3 HIS C 46 8.461 11.361 -21.206 1.00 0.00 H new ATOM 0 HD1 HIS C 46 8.715 13.657 -22.777 1.00 0.00 H new ATOM 0 HD2 HIS C 46 6.914 14.083 -19.111 1.00 0.00 H new ATOM 0 HE1 HIS C 46 7.714 16.063 -22.727 1.00 0.00 H new ATOM 619 N SER C 47 4.998 12.360 -19.951 1.00 0.00 N ATOM 620 CA SER C 47 3.695 12.399 -20.676 1.00 0.00 C ATOM 621 C SER C 47 3.886 13.012 -22.066 1.00 0.00 C ATOM 622 O SER C 47 2.939 13.226 -22.794 1.00 0.00 O ATOM 623 CB SER C 47 2.696 13.243 -19.880 1.00 0.00 C ATOM 624 OG SER C 47 2.170 12.470 -18.811 1.00 0.00 O ATOM 0 H SER C 47 5.129 13.092 -19.252 1.00 0.00 H new ATOM 0 HA SER C 47 3.315 11.383 -20.784 1.00 0.00 H new ATOM 0 HB2 SER C 47 3.186 14.135 -19.491 1.00 0.00 H new ATOM 0 HB3 SER C 47 1.889 13.581 -20.530 1.00 0.00 H new ATOM 0 HG SER C 47 1.532 13.010 -18.300 1.00 0.00 H new ATOM 630 N LEU C 48 5.103 13.296 -22.440 1.00 0.00 N ATOM 631 CA LEU C 48 5.351 13.895 -23.784 1.00 0.00 C ATOM 632 C LEU C 48 4.317 14.990 -24.059 1.00 0.00 C ATOM 633 O LEU C 48 3.920 15.209 -25.187 1.00 0.00 O ATOM 634 CB LEU C 48 5.233 12.812 -24.859 1.00 0.00 C ATOM 635 CG LEU C 48 6.144 11.633 -24.509 1.00 0.00 C ATOM 636 CD1 LEU C 48 6.216 10.676 -25.701 1.00 0.00 C ATOM 637 CD2 LEU C 48 7.549 12.145 -24.187 1.00 0.00 C ATOM 0 H LEU C 48 5.937 13.140 -21.874 1.00 0.00 H new ATOM 0 HA LEU C 48 6.353 14.324 -23.804 1.00 0.00 H new ATOM 0 HB2 LEU C 48 4.199 12.474 -24.936 1.00 0.00 H new ATOM 0 HB3 LEU C 48 5.509 13.220 -25.831 1.00 0.00 H new ATOM 0 HG LEU C 48 5.741 11.111 -23.641 1.00 0.00 H new ATOM 0 HD11 LEU C 48 6.864 9.835 -25.454 1.00 0.00 H new ATOM 0 HD12 LEU C 48 5.217 10.308 -25.933 1.00 0.00 H new ATOM 0 HD13 LEU C 48 6.618 11.202 -26.566 1.00 0.00 H new ATOM 0 HD21 LEU C 48 8.195 11.303 -23.938 1.00 0.00 H new ATOM 0 HD22 LEU C 48 7.953 12.669 -25.053 1.00 0.00 H new ATOM 0 HD23 LEU C 48 7.502 12.829 -23.339 1.00 0.00 H new ATOM 649 N THR C 49 3.876 15.680 -23.043 1.00 0.00 N ATOM 650 CA THR C 49 2.868 16.757 -23.261 1.00 0.00 C ATOM 651 C THR C 49 3.493 18.118 -22.944 1.00 0.00 C ATOM 652 O THR C 49 4.110 18.739 -23.787 1.00 0.00 O ATOM 653 CB THR C 49 1.661 16.522 -22.350 1.00 0.00 C ATOM 654 OG1 THR C 49 0.980 15.345 -22.764 1.00 0.00 O ATOM 655 CG2 THR C 49 0.714 17.720 -22.439 1.00 0.00 C ATOM 0 H THR C 49 4.168 15.546 -22.075 1.00 0.00 H new ATOM 0 HA THR C 49 2.544 16.742 -24.302 1.00 0.00 H new ATOM 0 HB THR C 49 1.998 16.404 -21.320 1.00 0.00 H new ATOM 0 HG1 THR C 49 1.606 14.591 -22.775 1.00 0.00 H new ATOM 0 HG21 THR C 49 -0.146 17.553 -21.790 1.00 0.00 H new ATOM 0 HG22 THR C 49 1.238 18.622 -22.122 1.00 0.00 H new ATOM 0 HG23 THR C 49 0.374 17.840 -23.468 1.00 0.00 H new ATOM 663 N THR C 50 3.338 18.590 -21.737 1.00 0.00 N ATOM 664 CA THR C 50 3.924 19.912 -21.373 1.00 0.00 C ATOM 665 C THR C 50 5.435 19.768 -21.184 1.00 0.00 C ATOM 666 O THR C 50 6.184 20.711 -21.348 1.00 0.00 O ATOM 667 CB THR C 50 3.296 20.408 -20.070 1.00 0.00 C ATOM 668 OG1 THR C 50 3.145 19.317 -19.173 1.00 0.00 O ATOM 669 CG2 THR C 50 1.928 21.024 -20.361 1.00 0.00 C ATOM 0 H THR C 50 2.832 18.118 -20.988 1.00 0.00 H new ATOM 0 HA THR C 50 3.723 20.627 -22.170 1.00 0.00 H new ATOM 0 HB THR C 50 3.942 21.162 -19.620 1.00 0.00 H new ATOM 0 HG1 THR C 50 2.478 19.544 -18.492 1.00 0.00 H new ATOM 0 HG21 THR C 50 1.482 21.377 -19.431 1.00 0.00 H new ATOM 0 HG22 THR C 50 2.045 21.862 -21.048 1.00 0.00 H new ATOM 0 HG23 THR C 50 1.279 20.273 -20.812 1.00 0.00 H new ATOM 677 N GLY C 51 5.889 18.595 -20.841 1.00 0.00 N ATOM 678 CA GLY C 51 7.351 18.393 -20.641 1.00 0.00 C ATOM 679 C GLY C 51 7.622 18.084 -19.167 1.00 0.00 C ATOM 680 O GLY C 51 8.705 18.310 -18.664 1.00 0.00 O ATOM 0 H GLY C 51 5.311 17.768 -20.691 1.00 0.00 H new ATOM 0 HA2 GLY C 51 7.706 17.574 -21.267 1.00 0.00 H new ATOM 0 HA3 GLY C 51 7.898 19.286 -20.944 1.00 0.00 H new ATOM 684 N GLN C 52 6.646 17.567 -18.471 1.00 0.00 N ATOM 685 CA GLN C 52 6.850 17.245 -17.032 1.00 0.00 C ATOM 686 C GLN C 52 7.242 15.775 -16.889 1.00 0.00 C ATOM 687 O GLN C 52 6.524 14.887 -17.305 1.00 0.00 O ATOM 688 CB GLN C 52 5.555 17.502 -16.259 1.00 0.00 C ATOM 689 CG GLN C 52 4.879 18.762 -16.801 1.00 0.00 C ATOM 690 CD GLN C 52 3.624 19.062 -15.978 1.00 0.00 C ATOM 691 OE1 GLN C 52 2.975 18.078 -15.418 1.00 0.00 O flip ATOM 692 NE2 GLN C 52 3.230 20.204 -15.844 1.00 0.00 N flip ATOM 0 H GLN C 52 5.718 17.354 -18.837 1.00 0.00 H new ATOM 0 HA GLN C 52 7.643 17.875 -16.631 1.00 0.00 H new ATOM 0 HB2 GLN C 52 4.886 16.647 -16.356 1.00 0.00 H new ATOM 0 HB3 GLN C 52 5.770 17.620 -15.197 1.00 0.00 H new ATOM 0 HG2 GLN C 52 5.568 19.606 -16.754 1.00 0.00 H new ATOM 0 HG3 GLN C 52 4.615 18.624 -17.849 1.00 0.00 H new ATOM 0 HE21 GLN C 52 3.737 20.973 -16.282 1.00 0.00 H new ATOM 0 HE22 GLN C 52 2.392 20.393 -15.294 1.00 0.00 H new ATOM 701 N THR C 53 8.373 15.511 -16.300 1.00 0.00 N ATOM 702 CA THR C 53 8.815 14.099 -16.128 1.00 0.00 C ATOM 703 C THR C 53 8.580 13.674 -14.675 1.00 0.00 C ATOM 704 O THR C 53 8.307 14.488 -13.815 1.00 0.00 O ATOM 705 CB THR C 53 10.310 13.988 -16.498 1.00 0.00 C ATOM 706 OG1 THR C 53 10.421 13.465 -17.813 1.00 0.00 O ATOM 707 CG2 THR C 53 11.052 13.060 -15.525 1.00 0.00 C ATOM 0 H THR C 53 9.013 16.213 -15.929 1.00 0.00 H new ATOM 0 HA THR C 53 8.244 13.439 -16.782 1.00 0.00 H new ATOM 0 HB THR C 53 10.758 14.980 -16.439 1.00 0.00 H new ATOM 0 HG1 THR C 53 11.367 13.393 -18.057 1.00 0.00 H new ATOM 0 HG21 THR C 53 12.103 13.000 -15.809 1.00 0.00 H new ATOM 0 HG22 THR C 53 10.972 13.455 -14.512 1.00 0.00 H new ATOM 0 HG23 THR C 53 10.609 12.065 -15.562 1.00 0.00 H new ATOM 715 N GLY C 54 8.684 12.404 -14.399 1.00 0.00 N ATOM 716 CA GLY C 54 8.469 11.929 -13.006 1.00 0.00 C ATOM 717 C GLY C 54 8.672 10.414 -12.943 1.00 0.00 C ATOM 718 O GLY C 54 8.141 9.673 -13.748 1.00 0.00 O ATOM 0 H GLY C 54 8.908 11.676 -15.077 1.00 0.00 H new ATOM 0 HA2 GLY C 54 9.164 12.427 -12.330 1.00 0.00 H new ATOM 0 HA3 GLY C 54 7.463 12.185 -12.675 1.00 0.00 H new ATOM 722 N TYR C 55 9.441 9.946 -11.997 1.00 0.00 N ATOM 723 CA TYR C 55 9.677 8.484 -11.883 1.00 0.00 C ATOM 724 C TYR C 55 8.332 7.756 -11.850 1.00 0.00 C ATOM 725 O TYR C 55 7.284 8.372 -11.811 1.00 0.00 O ATOM 726 CB TYR C 55 10.443 8.201 -10.592 1.00 0.00 C ATOM 727 CG TYR C 55 11.878 8.721 -10.713 1.00 0.00 C ATOM 728 CD1 TYR C 55 12.642 8.429 -11.825 1.00 0.00 C ATOM 729 CD2 TYR C 55 12.432 9.484 -9.705 1.00 0.00 C ATOM 730 CE1 TYR C 55 13.939 8.891 -11.925 1.00 0.00 C ATOM 731 CE2 TYR C 55 13.728 9.946 -9.806 1.00 0.00 C ATOM 732 CZ TYR C 55 14.492 9.653 -10.916 1.00 0.00 C ATOM 733 OH TYR C 55 15.788 10.117 -11.018 1.00 0.00 O ATOM 0 H TYR C 55 9.916 10.517 -11.298 1.00 0.00 H new ATOM 0 HA TYR C 55 10.257 8.135 -12.737 1.00 0.00 H new ATOM 0 HB2 TYR C 55 9.943 8.680 -9.750 1.00 0.00 H new ATOM 0 HB3 TYR C 55 10.451 7.130 -10.391 1.00 0.00 H new ATOM 0 HD1 TYR C 55 12.222 7.835 -12.623 1.00 0.00 H new ATOM 0 HD2 TYR C 55 11.846 9.721 -8.830 1.00 0.00 H new ATOM 0 HE1 TYR C 55 14.526 8.654 -12.800 1.00 0.00 H new ATOM 0 HE2 TYR C 55 14.148 10.542 -9.009 1.00 0.00 H new ATOM 0 HH TYR C 55 16.013 10.637 -10.218 1.00 0.00 H new ATOM 743 N ILE C 56 8.349 6.451 -11.862 1.00 0.00 N ATOM 744 CA ILE C 56 7.070 5.689 -11.831 1.00 0.00 C ATOM 745 C ILE C 56 7.348 4.256 -11.356 1.00 0.00 C ATOM 746 O ILE C 56 8.266 3.619 -11.833 1.00 0.00 O ATOM 747 CB ILE C 56 6.470 5.646 -13.239 1.00 0.00 C ATOM 748 CG1 ILE C 56 7.486 5.041 -14.209 1.00 0.00 C ATOM 749 CG2 ILE C 56 6.121 7.066 -13.688 1.00 0.00 C ATOM 750 CD1 ILE C 56 7.217 3.543 -14.364 1.00 0.00 C ATOM 0 H ILE C 56 9.194 5.880 -11.892 1.00 0.00 H new ATOM 0 HA ILE C 56 6.371 6.174 -11.150 1.00 0.00 H new ATOM 0 HB ILE C 56 5.568 5.035 -13.230 1.00 0.00 H new ATOM 0 HG12 ILE C 56 7.418 5.535 -15.178 1.00 0.00 H new ATOM 0 HG13 ILE C 56 8.498 5.203 -13.839 1.00 0.00 H new ATOM 0 HG21 ILE C 56 5.694 7.036 -14.690 1.00 0.00 H new ATOM 0 HG22 ILE C 56 5.397 7.498 -12.998 1.00 0.00 H new ATOM 0 HG23 ILE C 56 7.024 7.677 -13.696 1.00 0.00 H new ATOM 0 HD11 ILE C 56 7.942 3.113 -15.055 1.00 0.00 H new ATOM 0 HD12 ILE C 56 7.307 3.055 -13.394 1.00 0.00 H new ATOM 0 HD13 ILE C 56 6.210 3.393 -14.754 1.00 0.00 H new ATOM 762 N PRO C 57 6.550 3.788 -10.427 1.00 0.00 N ATOM 763 CA PRO C 57 6.704 2.428 -9.882 1.00 0.00 C ATOM 764 C PRO C 57 6.510 1.392 -10.993 1.00 0.00 C ATOM 765 O PRO C 57 5.543 1.429 -11.727 1.00 0.00 O ATOM 766 CB PRO C 57 5.601 2.300 -8.823 1.00 0.00 C ATOM 767 CG PRO C 57 4.808 3.633 -8.805 1.00 0.00 C ATOM 768 CD PRO C 57 5.441 4.567 -9.848 1.00 0.00 C ATOM 0 HA PRO C 57 7.694 2.258 -9.460 1.00 0.00 H new ATOM 0 HB2 PRO C 57 4.941 1.465 -9.058 1.00 0.00 H new ATOM 0 HB3 PRO C 57 6.033 2.099 -7.843 1.00 0.00 H new ATOM 0 HG2 PRO C 57 3.758 3.456 -9.037 1.00 0.00 H new ATOM 0 HG3 PRO C 57 4.844 4.086 -7.814 1.00 0.00 H new ATOM 0 HD2 PRO C 57 4.718 4.854 -10.612 1.00 0.00 H new ATOM 0 HD3 PRO C 57 5.802 5.487 -9.388 1.00 0.00 H new ATOM 776 N SER C 58 7.423 0.468 -11.124 1.00 0.00 N ATOM 777 CA SER C 58 7.288 -0.566 -12.187 1.00 0.00 C ATOM 778 C SER C 58 6.060 -1.434 -11.904 1.00 0.00 C ATOM 779 O SER C 58 5.329 -1.803 -12.801 1.00 0.00 O ATOM 780 CB SER C 58 8.541 -1.444 -12.207 1.00 0.00 C ATOM 781 OG SER C 58 8.291 -2.644 -11.490 1.00 0.00 O ATOM 0 H SER C 58 8.256 0.385 -10.541 1.00 0.00 H new ATOM 0 HA SER C 58 7.171 -0.078 -13.155 1.00 0.00 H new ATOM 0 HB2 SER C 58 8.820 -1.674 -13.235 1.00 0.00 H new ATOM 0 HB3 SER C 58 9.380 -0.909 -11.761 1.00 0.00 H new ATOM 0 HG SER C 58 9.093 -3.207 -11.504 1.00 0.00 H new ATOM 787 N ASN C 59 5.828 -1.762 -10.664 1.00 0.00 N ATOM 788 CA ASN C 59 4.648 -2.606 -10.324 1.00 0.00 C ATOM 789 C ASN C 59 3.366 -1.788 -10.496 1.00 0.00 C ATOM 790 O ASN C 59 2.272 -2.295 -10.345 1.00 0.00 O ATOM 791 CB ASN C 59 4.760 -3.078 -8.874 1.00 0.00 C ATOM 792 CG ASN C 59 5.163 -4.553 -8.848 1.00 0.00 C ATOM 793 OD1 ASN C 59 4.732 -5.298 -7.989 1.00 0.00 O ATOM 794 ND2 ASN C 59 5.978 -5.010 -9.758 1.00 0.00 N ATOM 0 H ASN C 59 6.405 -1.482 -9.870 1.00 0.00 H new ATOM 0 HA ASN C 59 4.618 -3.470 -10.987 1.00 0.00 H new ATOM 0 HB2 ASN C 59 5.498 -2.479 -8.341 1.00 0.00 H new ATOM 0 HB3 ASN C 59 3.808 -2.941 -8.361 1.00 0.00 H new ATOM 0 HD21 ASN C 59 6.254 -5.992 -9.749 1.00 0.00 H new ATOM 0 HD22 ASN C 59 6.340 -4.385 -10.479 1.00 0.00 H new ATOM 801 N TYR C 60 3.487 -0.528 -10.810 1.00 0.00 N ATOM 802 CA TYR C 60 2.271 0.314 -10.989 1.00 0.00 C ATOM 803 C TYR C 60 2.008 0.529 -12.481 1.00 0.00 C ATOM 804 O TYR C 60 0.931 0.928 -12.879 1.00 0.00 O ATOM 805 CB TYR C 60 2.484 1.668 -10.309 1.00 0.00 C ATOM 806 CG TYR C 60 1.899 1.623 -8.896 1.00 0.00 C ATOM 807 CD1 TYR C 60 2.433 0.781 -7.942 1.00 0.00 C ATOM 808 CD2 TYR C 60 0.827 2.422 -8.556 1.00 0.00 C ATOM 809 CE1 TYR C 60 1.904 0.738 -6.669 1.00 0.00 C ATOM 810 CE2 TYR C 60 0.296 2.379 -7.282 1.00 0.00 C ATOM 811 CZ TYR C 60 0.831 1.537 -6.328 1.00 0.00 C ATOM 812 OH TYR C 60 0.301 1.493 -5.055 1.00 0.00 O ATOM 0 H TYR C 60 4.374 -0.045 -10.950 1.00 0.00 H new ATOM 0 HA TYR C 60 1.414 -0.189 -10.540 1.00 0.00 H new ATOM 0 HB2 TYR C 60 3.547 1.903 -10.267 1.00 0.00 H new ATOM 0 HB3 TYR C 60 2.005 2.458 -10.888 1.00 0.00 H new ATOM 0 HD1 TYR C 60 3.272 0.150 -8.194 1.00 0.00 H new ATOM 0 HD2 TYR C 60 0.400 3.087 -9.292 1.00 0.00 H new ATOM 0 HE1 TYR C 60 2.333 0.074 -5.933 1.00 0.00 H new ATOM 0 HE2 TYR C 60 -0.544 3.009 -7.030 1.00 0.00 H new ATOM 0 HH TYR C 60 0.293 0.567 -4.736 1.00 0.00 H new ATOM 822 N VAL C 61 2.981 0.268 -13.311 1.00 0.00 N ATOM 823 CA VAL C 61 2.780 0.458 -14.776 1.00 0.00 C ATOM 824 C VAL C 61 3.099 -0.847 -15.507 1.00 0.00 C ATOM 825 O VAL C 61 3.665 -1.764 -14.948 1.00 0.00 O ATOM 826 CB VAL C 61 3.704 1.578 -15.276 1.00 0.00 C ATOM 827 CG1 VAL C 61 5.070 1.456 -14.598 1.00 0.00 C ATOM 828 CG2 VAL C 61 3.880 1.486 -16.795 1.00 0.00 C ATOM 0 H VAL C 61 3.905 -0.068 -13.039 1.00 0.00 H new ATOM 0 HA VAL C 61 1.744 0.734 -14.972 1.00 0.00 H new ATOM 0 HB VAL C 61 3.255 2.540 -15.029 1.00 0.00 H new ATOM 0 HG11 VAL C 61 5.725 2.251 -14.954 1.00 0.00 H new ATOM 0 HG12 VAL C 61 4.949 1.541 -13.518 1.00 0.00 H new ATOM 0 HG13 VAL C 61 5.511 0.488 -14.839 1.00 0.00 H new ATOM 0 HG21 VAL C 61 4.537 2.286 -17.134 1.00 0.00 H new ATOM 0 HG22 VAL C 61 4.319 0.522 -17.053 1.00 0.00 H new ATOM 0 HG23 VAL C 61 2.909 1.584 -17.280 1.00 0.00 H new ATOM 838 N ALA C 62 2.735 -0.931 -16.754 1.00 0.00 N ATOM 839 CA ALA C 62 3.010 -2.172 -17.532 1.00 0.00 C ATOM 840 C ALA C 62 2.894 -1.871 -19.030 1.00 0.00 C ATOM 841 O ALA C 62 2.250 -0.918 -19.420 1.00 0.00 O ATOM 842 CB ALA C 62 1.994 -3.250 -17.149 1.00 0.00 C ATOM 0 H ALA C 62 2.257 -0.193 -17.271 1.00 0.00 H new ATOM 0 HA ALA C 62 4.017 -2.526 -17.308 1.00 0.00 H new ATOM 0 HB1 ALA C 62 2.195 -4.158 -17.718 1.00 0.00 H new ATOM 0 HB2 ALA C 62 2.075 -3.464 -16.083 1.00 0.00 H new ATOM 0 HB3 ALA C 62 0.987 -2.897 -17.373 1.00 0.00 H new ATOM 848 N PRO C 63 3.527 -2.697 -19.825 1.00 0.00 N ATOM 849 CA PRO C 63 3.513 -2.544 -21.290 1.00 0.00 C ATOM 850 C PRO C 63 2.078 -2.639 -21.818 1.00 0.00 C ATOM 851 O PRO C 63 1.352 -3.563 -21.508 1.00 0.00 O ATOM 852 CB PRO C 63 4.361 -3.708 -21.817 1.00 0.00 C ATOM 853 CG PRO C 63 4.851 -4.526 -20.594 1.00 0.00 C ATOM 854 CD PRO C 63 4.302 -3.848 -19.328 1.00 0.00 C ATOM 0 HA PRO C 63 3.904 -1.578 -21.610 1.00 0.00 H new ATOM 0 HB2 PRO C 63 3.774 -4.336 -22.487 1.00 0.00 H new ATOM 0 HB3 PRO C 63 5.209 -3.334 -22.392 1.00 0.00 H new ATOM 0 HG2 PRO C 63 4.501 -5.556 -20.658 1.00 0.00 H new ATOM 0 HG3 PRO C 63 5.940 -4.560 -20.568 1.00 0.00 H new ATOM 0 HD2 PRO C 63 3.674 -4.530 -18.754 1.00 0.00 H new ATOM 0 HD3 PRO C 63 5.109 -3.527 -18.669 1.00 0.00 H new ATOM 862 N SER C 64 1.664 -1.690 -22.613 1.00 0.00 N ATOM 863 CA SER C 64 0.278 -1.728 -23.159 1.00 0.00 C ATOM 864 C SER C 64 0.037 -0.489 -24.022 1.00 0.00 C ATOM 865 O SER C 64 -1.046 0.069 -23.934 1.00 0.00 O ATOM 866 CB SER C 64 -0.724 -1.747 -22.003 1.00 0.00 C ATOM 867 OG SER C 64 -2.046 -1.762 -22.523 1.00 0.00 O ATOM 868 OXT SER C 64 0.936 -0.118 -24.758 1.00 0.00 O ATOM 0 H SER C 64 2.225 -0.891 -22.908 1.00 0.00 H new ATOM 0 HA SER C 64 0.150 -2.624 -23.766 1.00 0.00 H new ATOM 0 HB2 SER C 64 -0.558 -2.624 -21.378 1.00 0.00 H new ATOM 0 HB3 SER C 64 -0.581 -0.872 -21.369 1.00 0.00 H new ATOM 0 HG SER C 64 -2.197 -0.954 -23.056 1.00 0.00 H new TER 874 SER C 64 ATOM 875 N ARG R 71 14.164 2.497 -2.228 1.00 0.00 N ATOM 876 CA ARG R 71 12.827 2.806 -2.808 1.00 0.00 C ATOM 877 C ARG R 71 11.987 1.527 -2.859 1.00 0.00 C ATOM 878 O ARG R 71 11.927 0.853 -3.868 1.00 0.00 O ATOM 879 CB ARG R 71 13.000 3.362 -4.222 1.00 0.00 C ATOM 880 CG ARG R 71 12.116 4.599 -4.397 1.00 0.00 C ATOM 881 CD ARG R 71 12.750 5.786 -3.670 1.00 0.00 C ATOM 882 NE ARG R 71 11.678 6.663 -3.121 1.00 0.00 N ATOM 883 CZ ARG R 71 11.032 7.484 -3.906 1.00 0.00 C ATOM 884 NH1 ARG R 71 11.323 7.539 -5.179 1.00 0.00 N ATOM 885 NH2 ARG R 71 10.095 8.250 -3.419 1.00 0.00 N ATOM 0 HA ARG R 71 12.323 3.547 -2.188 1.00 0.00 H new ATOM 0 HB2 ARG R 71 14.044 3.621 -4.397 1.00 0.00 H new ATOM 0 HB3 ARG R 71 12.732 2.604 -4.958 1.00 0.00 H new ATOM 0 HG2 ARG R 71 11.998 4.828 -5.456 1.00 0.00 H new ATOM 0 HG3 ARG R 71 11.119 4.406 -4.000 1.00 0.00 H new ATOM 0 HD2 ARG R 71 13.393 5.431 -2.864 1.00 0.00 H new ATOM 0 HD3 ARG R 71 13.381 6.351 -4.356 1.00 0.00 H new ATOM 0 HE ARG R 71 11.447 6.622 -2.128 1.00 0.00 H new ATOM 0 HH11 ARG R 71 12.055 6.941 -5.561 1.00 0.00 H new ATOM 0 HH12 ARG R 71 10.818 8.180 -5.790 1.00 0.00 H new ATOM 0 HH21 ARG R 71 9.867 8.208 -2.426 1.00 0.00 H new ATOM 0 HH22 ARG R 71 9.591 8.891 -4.031 1.00 0.00 H new ATOM 901 N ALA R 72 11.338 1.189 -1.778 1.00 0.00 N ATOM 902 CA ALA R 72 10.503 -0.044 -1.766 1.00 0.00 C ATOM 903 C ALA R 72 9.238 0.189 -2.594 1.00 0.00 C ATOM 904 O ALA R 72 8.694 1.275 -2.621 1.00 0.00 O ATOM 905 CB ALA R 72 10.115 -0.383 -0.325 1.00 0.00 C ATOM 0 H ALA R 72 11.350 1.714 -0.903 1.00 0.00 H new ATOM 0 HA ALA R 72 11.070 -0.871 -2.194 1.00 0.00 H new ATOM 0 HB1 ALA R 72 9.504 -1.285 -0.315 1.00 0.00 H new ATOM 0 HB2 ALA R 72 11.016 -0.549 0.265 1.00 0.00 H new ATOM 0 HB3 ALA R 72 9.548 0.444 0.103 1.00 0.00 H new ATOM 911 N LEU R 73 8.765 -0.820 -3.272 1.00 0.00 N ATOM 912 CA LEU R 73 7.535 -0.653 -4.097 1.00 0.00 C ATOM 913 C LEU R 73 6.363 -0.260 -3.191 1.00 0.00 C ATOM 914 O LEU R 73 6.251 -0.747 -2.083 1.00 0.00 O ATOM 915 CB LEU R 73 7.211 -1.971 -4.804 1.00 0.00 C ATOM 916 CG LEU R 73 8.293 -2.275 -5.842 1.00 0.00 C ATOM 917 CD1 LEU R 73 7.910 -3.533 -6.624 1.00 0.00 C ATOM 918 CD2 LEU R 73 8.421 -1.094 -6.807 1.00 0.00 C ATOM 0 H LEU R 73 9.177 -1.753 -3.291 1.00 0.00 H new ATOM 0 HA LEU R 73 7.700 0.127 -4.840 1.00 0.00 H new ATOM 0 HB2 LEU R 73 7.152 -2.781 -4.077 1.00 0.00 H new ATOM 0 HB3 LEU R 73 6.236 -1.906 -5.288 1.00 0.00 H new ATOM 0 HG LEU R 73 9.245 -2.436 -5.337 1.00 0.00 H new ATOM 0 HD11 LEU R 73 8.680 -3.750 -7.364 1.00 0.00 H new ATOM 0 HD12 LEU R 73 7.819 -4.375 -5.937 1.00 0.00 H new ATOM 0 HD13 LEU R 73 6.958 -3.372 -7.129 1.00 0.00 H new ATOM 0 HD21 LEU R 73 9.192 -1.310 -7.547 1.00 0.00 H new ATOM 0 HD22 LEU R 73 7.469 -0.932 -7.312 1.00 0.00 H new ATOM 0 HD23 LEU R 73 8.694 -0.197 -6.250 1.00 0.00 H new ATOM 930 N PRO R 74 5.521 0.613 -3.688 1.00 0.00 N ATOM 931 CA PRO R 74 4.346 1.085 -2.933 1.00 0.00 C ATOM 932 C PRO R 74 3.374 -0.075 -2.689 1.00 0.00 C ATOM 933 O PRO R 74 3.471 -1.105 -3.326 1.00 0.00 O ATOM 934 CB PRO R 74 3.704 2.145 -3.829 1.00 0.00 C ATOM 935 CG PRO R 74 4.494 2.178 -5.164 1.00 0.00 C ATOM 936 CD PRO R 74 5.672 1.200 -5.032 1.00 0.00 C ATOM 0 HA PRO R 74 4.614 1.485 -1.955 1.00 0.00 H new ATOM 0 HB2 PRO R 74 2.656 1.908 -4.011 1.00 0.00 H new ATOM 0 HB3 PRO R 74 3.730 3.121 -3.345 1.00 0.00 H new ATOM 0 HG2 PRO R 74 3.851 1.892 -5.996 1.00 0.00 H new ATOM 0 HG3 PRO R 74 4.854 3.186 -5.371 1.00 0.00 H new ATOM 0 HD2 PRO R 74 5.638 0.433 -5.805 1.00 0.00 H new ATOM 0 HD3 PRO R 74 6.627 1.714 -5.135 1.00 0.00 H new ATOM 944 N PRO R 75 2.465 0.130 -1.770 1.00 0.00 N ATOM 945 CA PRO R 75 1.459 -0.889 -1.421 1.00 0.00 C ATOM 946 C PRO R 75 0.600 -1.225 -2.642 1.00 0.00 C ATOM 947 O PRO R 75 -0.187 -0.419 -3.100 1.00 0.00 O ATOM 948 CB PRO R 75 0.607 -0.240 -0.322 1.00 0.00 C ATOM 949 CG PRO R 75 1.169 1.183 -0.067 1.00 0.00 C ATOM 950 CD PRO R 75 2.366 1.389 -1.010 1.00 0.00 C ATOM 0 HA PRO R 75 1.912 -1.823 -1.088 1.00 0.00 H new ATOM 0 HB2 PRO R 75 -0.438 -0.189 -0.628 1.00 0.00 H new ATOM 0 HB3 PRO R 75 0.643 -0.835 0.591 1.00 0.00 H new ATOM 0 HG2 PRO R 75 0.403 1.936 -0.252 1.00 0.00 H new ATOM 0 HG3 PRO R 75 1.478 1.291 0.973 1.00 0.00 H new ATOM 0 HD2 PRO R 75 2.206 2.240 -1.672 1.00 0.00 H new ATOM 0 HD3 PRO R 75 3.281 1.587 -0.451 1.00 0.00 H new ATOM 958 N LEU R 76 0.742 -2.407 -3.173 1.00 0.00 N ATOM 959 CA LEU R 76 -0.067 -2.792 -4.364 1.00 0.00 C ATOM 960 C LEU R 76 -1.477 -3.190 -3.914 1.00 0.00 C ATOM 961 O LEU R 76 -1.658 -3.686 -2.820 1.00 0.00 O ATOM 962 CB LEU R 76 0.597 -3.973 -5.075 1.00 0.00 C ATOM 963 CG LEU R 76 1.934 -3.525 -5.669 1.00 0.00 C ATOM 964 CD1 LEU R 76 2.832 -4.745 -5.881 1.00 0.00 C ATOM 965 CD2 LEU R 76 1.689 -2.833 -7.011 1.00 0.00 C ATOM 0 H LEU R 76 1.383 -3.124 -2.834 1.00 0.00 H new ATOM 0 HA LEU R 76 -0.129 -1.947 -5.050 1.00 0.00 H new ATOM 0 HB2 LEU R 76 0.755 -4.792 -4.373 1.00 0.00 H new ATOM 0 HB3 LEU R 76 -0.055 -4.350 -5.863 1.00 0.00 H new ATOM 0 HG LEU R 76 2.421 -2.830 -4.985 1.00 0.00 H new ATOM 0 HD11 LEU R 76 3.785 -4.426 -6.304 1.00 0.00 H new ATOM 0 HD12 LEU R 76 3.007 -5.239 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU R 76 2.346 -5.440 -6.565 1.00 0.00 H new ATOM 0 HD21 LEU R 76 2.641 -2.514 -7.435 1.00 0.00 H new ATOM 0 HD22 LEU R 76 1.202 -3.528 -7.695 1.00 0.00 H new ATOM 0 HD23 LEU R 76 1.049 -1.964 -6.861 1.00 0.00 H new ATOM 977 N PRO R 77 -2.435 -2.960 -4.777 1.00 0.00 N ATOM 978 CA PRO R 77 -3.843 -3.286 -4.492 1.00 0.00 C ATOM 979 C PRO R 77 -4.003 -4.791 -4.259 1.00 0.00 C ATOM 980 O PRO R 77 -3.035 -5.517 -4.140 1.00 0.00 O ATOM 981 CB PRO R 77 -4.609 -2.852 -5.749 1.00 0.00 C ATOM 982 CG PRO R 77 -3.576 -2.284 -6.758 1.00 0.00 C ATOM 983 CD PRO R 77 -2.190 -2.358 -6.100 1.00 0.00 C ATOM 0 HA PRO R 77 -4.210 -2.787 -3.595 1.00 0.00 H new ATOM 0 HB2 PRO R 77 -5.142 -3.698 -6.183 1.00 0.00 H new ATOM 0 HB3 PRO R 77 -5.356 -2.098 -5.501 1.00 0.00 H new ATOM 0 HG2 PRO R 77 -3.591 -2.858 -7.684 1.00 0.00 H new ATOM 0 HG3 PRO R 77 -3.821 -1.254 -7.018 1.00 0.00 H new ATOM 0 HD2 PRO R 77 -1.503 -2.965 -6.690 1.00 0.00 H new ATOM 0 HD3 PRO R 77 -1.742 -1.369 -6.008 1.00 0.00 H new ATOM 991 N ARG R 78 -5.217 -5.263 -4.192 1.00 0.00 N ATOM 992 CA ARG R 78 -5.440 -6.719 -3.966 1.00 0.00 C ATOM 993 C ARG R 78 -5.136 -7.487 -5.253 1.00 0.00 C ATOM 994 O ARG R 78 -4.305 -7.088 -6.045 1.00 0.00 O ATOM 995 CB ARG R 78 -6.897 -6.955 -3.563 1.00 0.00 C ATOM 996 CG ARG R 78 -7.289 -5.969 -2.462 1.00 0.00 C ATOM 997 CD ARG R 78 -8.807 -5.780 -2.461 1.00 0.00 C ATOM 998 NE ARG R 78 -9.473 -7.092 -2.700 1.00 0.00 N ATOM 999 CZ ARG R 78 -10.719 -7.135 -3.090 1.00 0.00 C ATOM 1000 NH1 ARG R 78 -11.388 -6.028 -3.274 1.00 0.00 N ATOM 1001 NH2 ARG R 78 -11.298 -8.286 -3.297 1.00 0.00 N ATOM 0 H ARG R 78 -6.065 -4.703 -4.284 1.00 0.00 H new ATOM 0 HA ARG R 78 -4.782 -7.068 -3.170 1.00 0.00 H new ATOM 0 HB2 ARG R 78 -7.549 -6.829 -4.427 1.00 0.00 H new ATOM 0 HB3 ARG R 78 -7.027 -7.979 -3.212 1.00 0.00 H new ATOM 0 HG2 ARG R 78 -6.958 -6.340 -1.492 1.00 0.00 H new ATOM 0 HG3 ARG R 78 -6.793 -5.012 -2.623 1.00 0.00 H new ATOM 0 HD2 ARG R 78 -9.131 -5.364 -1.507 1.00 0.00 H new ATOM 0 HD3 ARG R 78 -9.096 -5.068 -3.234 1.00 0.00 H new ATOM 0 HE ARG R 78 -8.954 -7.959 -2.559 1.00 0.00 H new ATOM 0 HH11 ARG R 78 -10.938 -5.127 -3.113 1.00 0.00 H new ATOM 0 HH12 ARG R 78 -12.361 -6.065 -3.579 1.00 0.00 H new ATOM 0 HH21 ARG R 78 -10.778 -9.152 -3.154 1.00 0.00 H new ATOM 0 HH22 ARG R 78 -12.271 -8.320 -3.602 1.00 0.00 H new ATOM 1015 N TYR R 79 -5.804 -8.587 -5.470 1.00 0.00 N ATOM 1016 CA TYR R 79 -5.553 -9.380 -6.706 1.00 0.00 C ATOM 1017 C TYR R 79 -5.858 -8.520 -7.934 1.00 0.00 C ATOM 1018 O TYR R 79 -5.999 -9.083 -9.007 1.00 0.00 O ATOM 1019 CB TYR R 79 -6.455 -10.616 -6.713 1.00 0.00 C ATOM 1020 CG TYR R 79 -5.649 -11.834 -7.166 1.00 0.00 C ATOM 1021 CD1 TYR R 79 -4.945 -11.807 -8.352 1.00 0.00 C ATOM 1022 CD2 TYR R 79 -5.614 -12.977 -6.393 1.00 0.00 C ATOM 1023 CE1 TYR R 79 -4.218 -12.906 -8.760 1.00 0.00 C ATOM 1024 CE2 TYR R 79 -4.886 -14.076 -6.801 1.00 0.00 C ATOM 1025 CZ TYR R 79 -4.182 -14.049 -7.988 1.00 0.00 C ATOM 1026 OH TYR R 79 -3.454 -15.149 -8.397 1.00 0.00 O ATOM 1027 OXT TYR R 79 -5.945 -7.313 -7.780 1.00 0.00 O ATOM 0 H TYR R 79 -6.513 -8.971 -4.845 1.00 0.00 H new ATOM 0 HA TYR R 79 -4.509 -9.693 -6.730 1.00 0.00 H new ATOM 0 HB2 TYR R 79 -6.863 -10.787 -5.717 1.00 0.00 H new ATOM 0 HB3 TYR R 79 -7.301 -10.458 -7.381 1.00 0.00 H new ATOM 0 HD1 TYR R 79 -4.963 -10.919 -8.966 1.00 0.00 H new ATOM 0 HD2 TYR R 79 -6.160 -13.011 -5.462 1.00 0.00 H new ATOM 0 HE1 TYR R 79 -3.672 -12.871 -9.691 1.00 0.00 H new ATOM 0 HE2 TYR R 79 -4.867 -14.964 -6.187 1.00 0.00 H new ATOM 0 HH TYR R 79 -3.540 -15.864 -7.732 1.00 0.00 H new TER 1037 TYR R 79