USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 477 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 16 TYR OH : rot 150:sc= 1.02 USER MOD Set 1.2: C 18 SER OG : rot 135:sc= 0.718! USER MOD Single : C 9 THR OG1 : rot 1:sc= 0.867 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 20 THR OG1 : rot 180:sc= -0.228 USER MOD Single : C 22 THR OG1 : rot -15:sc= 0.992 USER MOD Single : C 25 SER OG : rot 180:sc= 0.00639 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 :FLIP amide:sc= -0.317 F(o=-1,f=-0.32) USER MOD Single : C 36 ASN : amide:sc= -0.262 K(o=-0.26,f=-1.9) USER MOD Single : C 37 ASN : amide:sc= -6.51! C(o=-6.5!,f=-7.6!) USER MOD Single : C 38 THR OG1 : rot 180:sc= 0 USER MOD Single : C 46 HIS :FLIP no HE2:sc= -3.46 F(o=-4.8!,f=-3.5) USER MOD Single : C 47 SER OG : rot 180:sc= 0 USER MOD Single : C 49 THR OG1 : rot 180:sc= 0 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0 USER MOD Single : C 52 GLN :FLIP amide:sc= 0.586 F(o=-0.42,f=0.59) 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= -0.0208 USER MOD Single : C 59 ASN : amide:sc= -0.477 K(o=-0.48,f=-3.3!) USER MOD Single : C 60 TYR OH : rot 16:sc= 0.383 USER MOD Single : C 64 SER OG : rot -17:sc= -1.38! USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 5.393 3.513 -25.504 1.00 0.00 N ATOM 2 CA THR C 9 4.007 3.854 -25.078 1.00 0.00 C ATOM 3 C THR C 9 3.577 2.916 -23.947 1.00 0.00 C ATOM 4 O THR C 9 3.140 1.807 -24.180 1.00 0.00 O ATOM 5 CB THR C 9 3.053 3.694 -26.264 1.00 0.00 C ATOM 6 OG1 THR C 9 3.788 3.285 -27.408 1.00 0.00 O ATOM 7 CG2 THR C 9 2.361 5.028 -26.548 1.00 0.00 C ATOM 0 HA THR C 9 3.978 4.885 -24.727 1.00 0.00 H new ATOM 0 HB THR C 9 2.301 2.941 -26.028 1.00 0.00 H new ATOM 0 HG1 THR C 9 4.733 3.179 -27.169 1.00 0.00 H new ATOM 0 HG21 THR C 9 1.682 4.913 -27.393 1.00 0.00 H new ATOM 0 HG22 THR C 9 1.797 5.340 -25.669 1.00 0.00 H new ATOM 0 HG23 THR C 9 3.110 5.783 -26.785 1.00 0.00 H new ATOM 14 N PHE C 10 3.698 3.353 -22.723 1.00 0.00 N ATOM 15 CA PHE C 10 3.296 2.487 -21.580 1.00 0.00 C ATOM 16 C PHE C 10 1.969 2.986 -21.005 1.00 0.00 C ATOM 17 O PHE C 10 1.553 4.099 -21.256 1.00 0.00 O ATOM 18 CB PHE C 10 4.373 2.539 -20.495 1.00 0.00 C ATOM 19 CG PHE C 10 5.394 1.425 -20.735 1.00 0.00 C ATOM 20 CD1 PHE C 10 5.735 1.054 -22.023 1.00 0.00 C ATOM 21 CD2 PHE C 10 5.988 0.774 -19.668 1.00 0.00 C ATOM 22 CE1 PHE C 10 6.656 0.050 -22.241 1.00 0.00 C ATOM 23 CE2 PHE C 10 6.908 -0.230 -19.887 1.00 0.00 C ATOM 24 CZ PHE C 10 7.243 -0.592 -21.173 1.00 0.00 C ATOM 0 H PHE C 10 4.058 4.272 -22.466 1.00 0.00 H new ATOM 0 HA PHE C 10 3.180 1.460 -21.926 1.00 0.00 H new ATOM 0 HB2 PHE C 10 4.869 3.510 -20.506 1.00 0.00 H new ATOM 0 HB3 PHE C 10 3.919 2.424 -19.511 1.00 0.00 H new ATOM 0 HD1 PHE C 10 5.277 1.554 -22.864 1.00 0.00 H new ATOM 0 HD2 PHE C 10 5.730 1.054 -18.657 1.00 0.00 H new ATOM 0 HE1 PHE C 10 6.917 -0.233 -23.250 1.00 0.00 H new ATOM 0 HE2 PHE C 10 7.367 -0.733 -19.049 1.00 0.00 H new ATOM 0 HZ PHE C 10 7.964 -1.377 -21.344 1.00 0.00 H new ATOM 34 N VAL C 11 1.304 2.171 -20.233 1.00 0.00 N ATOM 35 CA VAL C 11 0.006 2.600 -19.644 1.00 0.00 C ATOM 36 C VAL C 11 0.042 2.393 -18.130 1.00 0.00 C ATOM 37 O VAL C 11 0.667 1.476 -17.633 1.00 0.00 O ATOM 38 CB VAL C 11 -1.126 1.767 -20.248 1.00 0.00 C ATOM 39 CG1 VAL C 11 -2.438 2.549 -20.158 1.00 0.00 C ATOM 40 CG2 VAL C 11 -0.810 1.468 -21.715 1.00 0.00 C ATOM 0 H VAL C 11 1.604 1.228 -19.985 1.00 0.00 H new ATOM 0 HA VAL C 11 -0.163 3.654 -19.862 1.00 0.00 H new ATOM 0 HB VAL C 11 -1.223 0.831 -19.698 1.00 0.00 H new ATOM 0 HG11 VAL C 11 -3.245 1.956 -20.588 1.00 0.00 H new ATOM 0 HG12 VAL C 11 -2.663 2.764 -19.113 1.00 0.00 H new ATOM 0 HG13 VAL C 11 -2.342 3.485 -20.708 1.00 0.00 H new ATOM 0 HG21 VAL C 11 -1.616 0.874 -22.147 1.00 0.00 H new ATOM 0 HG22 VAL C 11 -0.714 2.404 -22.265 1.00 0.00 H new ATOM 0 HG23 VAL C 11 0.125 0.912 -21.780 1.00 0.00 H new ATOM 50 N ALA C 12 -0.623 3.237 -17.390 1.00 0.00 N ATOM 51 CA ALA C 12 -0.626 3.088 -15.908 1.00 0.00 C ATOM 52 C ALA C 12 -1.700 2.079 -15.497 1.00 0.00 C ATOM 53 O ALA C 12 -2.882 2.327 -15.624 1.00 0.00 O ATOM 54 CB ALA C 12 -0.924 4.442 -15.260 1.00 0.00 C ATOM 0 H ALA C 12 -1.165 4.024 -17.748 1.00 0.00 H new ATOM 0 HA ALA C 12 0.350 2.733 -15.578 1.00 0.00 H new ATOM 0 HB1 ALA C 12 -0.926 4.334 -14.175 1.00 0.00 H new ATOM 0 HB2 ALA C 12 -0.158 5.161 -15.551 1.00 0.00 H new ATOM 0 HB3 ALA C 12 -1.900 4.797 -15.591 1.00 0.00 H new ATOM 60 N LEU C 13 -1.296 0.939 -15.005 1.00 0.00 N ATOM 61 CA LEU C 13 -2.291 -0.088 -14.585 1.00 0.00 C ATOM 62 C LEU C 13 -2.672 0.141 -13.122 1.00 0.00 C ATOM 63 O LEU C 13 -3.637 -0.411 -12.629 1.00 0.00 O ATOM 64 CB LEU C 13 -1.679 -1.482 -14.745 1.00 0.00 C ATOM 65 CG LEU C 13 -1.187 -1.661 -16.182 1.00 0.00 C ATOM 66 CD1 LEU C 13 0.108 -2.474 -16.180 1.00 0.00 C ATOM 67 CD2 LEU C 13 -2.249 -2.398 -16.999 1.00 0.00 C ATOM 0 H LEU C 13 -0.319 0.675 -14.876 1.00 0.00 H new ATOM 0 HA LEU C 13 -3.183 -0.010 -15.207 1.00 0.00 H new ATOM 0 HB2 LEU C 13 -0.851 -1.610 -14.047 1.00 0.00 H new ATOM 0 HB3 LEU C 13 -2.419 -2.245 -14.505 1.00 0.00 H new ATOM 0 HG LEU C 13 -1.002 -0.683 -16.626 1.00 0.00 H new ATOM 0 HD11 LEU C 13 0.459 -2.602 -17.204 1.00 0.00 H new ATOM 0 HD12 LEU C 13 0.866 -1.949 -15.599 1.00 0.00 H new ATOM 0 HD13 LEU C 13 -0.077 -3.452 -15.735 1.00 0.00 H new ATOM 0 HD21 LEU C 13 -1.897 -2.525 -18.023 1.00 0.00 H new ATOM 0 HD22 LEU C 13 -2.435 -3.376 -16.555 1.00 0.00 H new ATOM 0 HD23 LEU C 13 -3.173 -1.819 -17.002 1.00 0.00 H new ATOM 79 N TYR C 14 -1.925 0.951 -12.419 1.00 0.00 N ATOM 80 CA TYR C 14 -2.250 1.209 -10.987 1.00 0.00 C ATOM 81 C TYR C 14 -2.203 2.711 -10.698 1.00 0.00 C ATOM 82 O TYR C 14 -1.320 3.412 -11.147 1.00 0.00 O ATOM 83 CB TYR C 14 -1.234 0.488 -10.107 1.00 0.00 C ATOM 84 CG TYR C 14 -1.387 -1.009 -10.335 1.00 0.00 C ATOM 85 CD1 TYR C 14 -1.101 -1.546 -11.566 1.00 0.00 C ATOM 86 CD2 TYR C 14 -1.847 -1.833 -9.333 1.00 0.00 C ATOM 87 CE1 TYR C 14 -1.274 -2.890 -11.804 1.00 0.00 C ATOM 88 CE2 TYR C 14 -2.022 -3.182 -9.565 1.00 0.00 C ATOM 89 CZ TYR C 14 -1.735 -3.723 -10.804 1.00 0.00 C ATOM 90 OH TYR C 14 -1.907 -5.072 -11.038 1.00 0.00 O ATOM 0 H TYR C 14 -1.106 1.444 -12.774 1.00 0.00 H new ATOM 0 HA TYR C 14 -3.253 0.841 -10.773 1.00 0.00 H new ATOM 0 HB2 TYR C 14 -0.222 0.809 -10.353 1.00 0.00 H new ATOM 0 HB3 TYR C 14 -1.399 0.732 -9.057 1.00 0.00 H new ATOM 0 HD1 TYR C 14 -0.736 -0.906 -12.356 1.00 0.00 H new ATOM 0 HD2 TYR C 14 -2.072 -1.422 -8.360 1.00 0.00 H new ATOM 0 HE1 TYR C 14 -1.048 -3.296 -12.779 1.00 0.00 H new ATOM 0 HE2 TYR C 14 -2.386 -3.820 -8.773 1.00 0.00 H new ATOM 0 HH TYR C 14 -2.237 -5.506 -10.224 1.00 0.00 H new ATOM 100 N ASP C 15 -3.150 3.209 -9.949 1.00 0.00 N ATOM 101 CA ASP C 15 -3.160 4.664 -9.631 1.00 0.00 C ATOM 102 C ASP C 15 -1.961 4.991 -8.739 1.00 0.00 C ATOM 103 O ASP C 15 -1.981 4.765 -7.546 1.00 0.00 O ATOM 104 CB ASP C 15 -4.455 5.019 -8.899 1.00 0.00 C ATOM 105 CG ASP C 15 -4.410 6.485 -8.460 1.00 0.00 C ATOM 106 OD1 ASP C 15 -3.423 7.139 -8.752 1.00 0.00 O ATOM 107 OD2 ASP C 15 -5.363 6.926 -7.840 1.00 0.00 O ATOM 0 H ASP C 15 -3.916 2.671 -9.544 1.00 0.00 H new ATOM 0 HA ASP C 15 -3.099 5.241 -10.553 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -5.312 4.850 -9.551 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -4.583 4.372 -8.031 1.00 0.00 H new ATOM 112 N TYR C 16 -0.915 5.521 -9.310 1.00 0.00 N ATOM 113 CA TYR C 16 0.286 5.863 -8.499 1.00 0.00 C ATOM 114 C TYR C 16 0.065 7.203 -7.792 1.00 0.00 C ATOM 115 O TYR C 16 0.363 8.255 -8.324 1.00 0.00 O ATOM 116 CB TYR C 16 1.502 5.962 -9.423 1.00 0.00 C ATOM 117 CG TYR C 16 2.732 6.392 -8.622 1.00 0.00 C ATOM 118 CD1 TYR C 16 2.774 6.230 -7.252 1.00 0.00 C ATOM 119 CD2 TYR C 16 3.824 6.939 -9.265 1.00 0.00 C ATOM 120 CE1 TYR C 16 3.893 6.607 -6.536 1.00 0.00 C ATOM 121 CE2 TYR C 16 4.941 7.317 -8.549 1.00 0.00 C ATOM 122 CZ TYR C 16 4.984 7.154 -7.180 1.00 0.00 C ATOM 123 OH TYR C 16 6.102 7.532 -6.466 1.00 0.00 O ATOM 0 H TYR C 16 -0.840 5.732 -10.305 1.00 0.00 H new ATOM 0 HA TYR C 16 0.456 5.089 -7.751 1.00 0.00 H new ATOM 0 HB2 TYR C 16 1.686 4.999 -9.900 1.00 0.00 H new ATOM 0 HB3 TYR C 16 1.307 6.680 -10.219 1.00 0.00 H new ATOM 0 HD1 TYR C 16 1.926 5.805 -6.736 1.00 0.00 H new ATOM 0 HD2 TYR C 16 3.804 7.072 -10.337 1.00 0.00 H new ATOM 0 HE1 TYR C 16 3.914 6.473 -5.465 1.00 0.00 H new ATOM 0 HE2 TYR C 16 5.789 7.744 -9.065 1.00 0.00 H new ATOM 0 HH TYR C 16 6.898 7.438 -7.030 1.00 0.00 H new ATOM 133 N GLU C 17 -0.456 7.171 -6.595 1.00 0.00 N ATOM 134 CA GLU C 17 -0.698 8.438 -5.848 1.00 0.00 C ATOM 135 C GLU C 17 0.440 8.665 -4.850 1.00 0.00 C ATOM 136 O GLU C 17 0.248 8.606 -3.652 1.00 0.00 O ATOM 137 CB GLU C 17 -2.025 8.336 -5.091 1.00 0.00 C ATOM 138 CG GLU C 17 -2.460 9.728 -4.628 1.00 0.00 C ATOM 139 CD GLU C 17 -2.560 9.749 -3.101 1.00 0.00 C ATOM 140 OE1 GLU C 17 -2.824 8.704 -2.531 1.00 0.00 O ATOM 141 OE2 GLU C 17 -2.372 10.810 -2.530 1.00 0.00 O ATOM 0 H GLU C 17 -0.725 6.320 -6.102 1.00 0.00 H new ATOM 0 HA GLU C 17 -0.741 9.272 -6.549 1.00 0.00 H new ATOM 0 HB2 GLU C 17 -2.790 7.900 -5.734 1.00 0.00 H new ATOM 0 HB3 GLU C 17 -1.915 7.674 -4.232 1.00 0.00 H new ATOM 0 HG2 GLU C 17 -1.743 10.476 -4.967 1.00 0.00 H new ATOM 0 HG3 GLU C 17 -3.423 9.986 -5.070 1.00 0.00 H new ATOM 148 N SER C 18 1.622 8.927 -5.335 1.00 0.00 N ATOM 149 CA SER C 18 2.772 9.156 -4.414 1.00 0.00 C ATOM 150 C SER C 18 2.520 10.414 -3.581 1.00 0.00 C ATOM 151 O SER C 18 1.617 11.180 -3.850 1.00 0.00 O ATOM 152 CB SER C 18 4.052 9.337 -5.233 1.00 0.00 C ATOM 153 OG SER C 18 5.102 8.586 -4.641 1.00 0.00 O ATOM 0 H SER C 18 1.842 8.993 -6.329 1.00 0.00 H new ATOM 0 HA SER C 18 2.881 8.298 -3.751 1.00 0.00 H new ATOM 0 HB2 SER C 18 3.889 9.009 -6.260 1.00 0.00 H new ATOM 0 HB3 SER C 18 4.324 10.392 -5.275 1.00 0.00 H new ATOM 0 HG SER C 18 5.588 8.098 -5.338 1.00 0.00 H new ATOM 159 N ARG C 19 3.316 10.631 -2.568 1.00 0.00 N ATOM 160 CA ARG C 19 3.125 11.838 -1.715 1.00 0.00 C ATOM 161 C ARG C 19 4.465 12.561 -1.553 1.00 0.00 C ATOM 162 O ARG C 19 4.584 13.504 -0.795 1.00 0.00 O ATOM 163 CB ARG C 19 2.605 11.414 -0.339 1.00 0.00 C ATOM 164 CG ARG C 19 1.431 10.447 -0.514 1.00 0.00 C ATOM 165 CD ARG C 19 1.299 9.576 0.737 1.00 0.00 C ATOM 166 NE ARG C 19 1.036 8.165 0.334 1.00 0.00 N ATOM 167 CZ ARG C 19 0.534 7.317 1.192 1.00 0.00 C ATOM 168 NH1 ARG C 19 0.262 7.698 2.411 1.00 0.00 N ATOM 169 NH2 ARG C 19 0.304 6.084 0.830 1.00 0.00 N ATOM 0 H ARG C 19 4.089 10.025 -2.295 1.00 0.00 H new ATOM 0 HA ARG C 19 2.403 12.506 -2.185 1.00 0.00 H new ATOM 0 HB2 ARG C 19 3.402 10.937 0.232 1.00 0.00 H new ATOM 0 HB3 ARG C 19 2.288 12.289 0.228 1.00 0.00 H new ATOM 0 HG2 ARG C 19 0.509 11.004 -0.682 1.00 0.00 H new ATOM 0 HG3 ARG C 19 1.589 9.820 -1.392 1.00 0.00 H new ATOM 0 HD2 ARG C 19 2.212 9.632 1.330 1.00 0.00 H new ATOM 0 HD3 ARG C 19 0.488 9.943 1.365 1.00 0.00 H new ATOM 0 HE ARG C 19 1.249 7.860 -0.616 1.00 0.00 H new ATOM 0 HH11 ARG C 19 0.441 8.661 2.696 1.00 0.00 H new ATOM 0 HH12 ARG C 19 -0.130 7.033 3.078 1.00 0.00 H new ATOM 0 HH21 ARG C 19 0.516 5.784 -0.121 1.00 0.00 H new ATOM 0 HH22 ARG C 19 -0.088 5.421 1.499 1.00 0.00 H new ATOM 183 N THR C 20 5.476 12.129 -2.259 1.00 0.00 N ATOM 184 CA THR C 20 6.805 12.793 -2.143 1.00 0.00 C ATOM 185 C THR C 20 6.898 13.935 -3.157 1.00 0.00 C ATOM 186 O THR C 20 6.132 14.007 -4.098 1.00 0.00 O ATOM 187 CB THR C 20 7.914 11.775 -2.420 1.00 0.00 C ATOM 188 OG1 THR C 20 9.132 12.462 -2.671 1.00 0.00 O ATOM 189 CG2 THR C 20 7.542 10.929 -3.639 1.00 0.00 C ATOM 0 H THR C 20 5.438 11.345 -2.911 1.00 0.00 H new ATOM 0 HA THR C 20 6.922 13.191 -1.135 1.00 0.00 H new ATOM 0 HB THR C 20 8.035 11.124 -1.554 1.00 0.00 H new ATOM 0 HG1 THR C 20 9.844 11.812 -2.847 1.00 0.00 H new ATOM 0 HG21 THR C 20 8.333 10.205 -3.834 1.00 0.00 H new ATOM 0 HG22 THR C 20 6.608 10.402 -3.445 1.00 0.00 H new ATOM 0 HG23 THR C 20 7.420 11.576 -4.508 1.00 0.00 H new ATOM 197 N GLU C 21 7.829 14.830 -2.972 1.00 0.00 N ATOM 198 CA GLU C 21 7.974 15.968 -3.923 1.00 0.00 C ATOM 199 C GLU C 21 8.944 15.582 -5.043 1.00 0.00 C ATOM 200 O GLU C 21 9.954 16.225 -5.249 1.00 0.00 O ATOM 201 CB GLU C 21 8.517 17.186 -3.174 1.00 0.00 C ATOM 202 CG GLU C 21 8.058 18.463 -3.878 1.00 0.00 C ATOM 203 CD GLU C 21 8.101 19.632 -2.892 1.00 0.00 C ATOM 204 OE1 GLU C 21 9.195 20.052 -2.548 1.00 0.00 O ATOM 205 OE2 GLU C 21 7.040 20.087 -2.496 1.00 0.00 O ATOM 0 H GLU C 21 8.497 14.822 -2.201 1.00 0.00 H new ATOM 0 HA GLU C 21 7.002 16.207 -4.355 1.00 0.00 H new ATOM 0 HB2 GLU C 21 8.164 17.179 -2.143 1.00 0.00 H new ATOM 0 HB3 GLU C 21 9.606 17.149 -3.138 1.00 0.00 H new ATOM 0 HG2 GLU C 21 8.701 18.671 -4.733 1.00 0.00 H new ATOM 0 HG3 GLU C 21 7.046 18.335 -4.263 1.00 0.00 H new ATOM 212 N THR C 22 8.648 14.538 -5.769 1.00 0.00 N ATOM 213 CA THR C 22 9.558 14.119 -6.874 1.00 0.00 C ATOM 214 C THR C 22 8.775 13.291 -7.900 1.00 0.00 C ATOM 215 O THR C 22 8.113 13.829 -8.766 1.00 0.00 O ATOM 216 CB THR C 22 10.707 13.286 -6.299 1.00 0.00 C ATOM 217 OG1 THR C 22 11.476 14.089 -5.416 1.00 0.00 O ATOM 218 CG2 THR C 22 11.594 12.783 -7.439 1.00 0.00 C ATOM 0 H THR C 22 7.818 13.958 -5.646 1.00 0.00 H new ATOM 0 HA THR C 22 9.965 15.002 -7.366 1.00 0.00 H new ATOM 0 HB THR C 22 10.302 12.433 -5.754 1.00 0.00 H new ATOM 0 HG1 THR C 22 11.250 15.033 -5.552 1.00 0.00 H new ATOM 0 HG21 THR C 22 12.412 12.190 -7.029 1.00 0.00 H new ATOM 0 HG22 THR C 22 11.002 12.166 -8.116 1.00 0.00 H new ATOM 0 HG23 THR C 22 12.001 13.634 -7.986 1.00 0.00 H new ATOM 226 N ASP C 23 8.842 11.988 -7.814 1.00 0.00 N ATOM 227 CA ASP C 23 8.098 11.138 -8.789 1.00 0.00 C ATOM 228 C ASP C 23 6.666 11.658 -8.913 1.00 0.00 C ATOM 229 O ASP C 23 5.983 11.852 -7.927 1.00 0.00 O ATOM 230 CB ASP C 23 8.062 9.690 -8.289 1.00 0.00 C ATOM 231 CG ASP C 23 9.413 9.317 -7.676 1.00 0.00 C ATOM 232 OD1 ASP C 23 10.390 9.968 -8.002 1.00 0.00 O ATOM 233 OD2 ASP C 23 9.447 8.385 -6.889 1.00 0.00 O ATOM 0 H ASP C 23 9.378 11.477 -7.113 1.00 0.00 H new ATOM 0 HA ASP C 23 8.596 11.176 -9.758 1.00 0.00 H new ATOM 0 HB2 ASP C 23 7.271 9.572 -7.548 1.00 0.00 H new ATOM 0 HB3 ASP C 23 7.829 9.017 -9.114 1.00 0.00 H new ATOM 238 N LEU C 24 6.201 11.885 -10.110 1.00 0.00 N ATOM 239 CA LEU C 24 4.811 12.391 -10.268 1.00 0.00 C ATOM 240 C LEU C 24 3.831 11.252 -10.007 1.00 0.00 C ATOM 241 O LEU C 24 4.195 10.093 -9.997 1.00 0.00 O ATOM 242 CB LEU C 24 4.594 12.925 -11.688 1.00 0.00 C ATOM 243 CG LEU C 24 5.901 13.486 -12.252 1.00 0.00 C ATOM 244 CD1 LEU C 24 5.583 14.400 -13.438 1.00 0.00 C ATOM 245 CD2 LEU C 24 6.636 14.291 -11.180 1.00 0.00 C ATOM 0 H LEU C 24 6.718 11.743 -10.978 1.00 0.00 H new ATOM 0 HA LEU C 24 4.646 13.200 -9.557 1.00 0.00 H new ATOM 0 HB2 LEU C 24 4.226 12.126 -12.332 1.00 0.00 H new ATOM 0 HB3 LEU C 24 3.831 13.703 -11.678 1.00 0.00 H new ATOM 0 HG LEU C 24 6.535 12.660 -12.574 1.00 0.00 H new ATOM 0 HD11 LEU C 24 6.510 14.804 -13.845 1.00 0.00 H new ATOM 0 HD12 LEU C 24 5.066 13.829 -14.209 1.00 0.00 H new ATOM 0 HD13 LEU C 24 4.946 15.219 -13.105 1.00 0.00 H new ATOM 0 HD21 LEU C 24 7.564 14.685 -11.593 1.00 0.00 H new ATOM 0 HD22 LEU C 24 6.006 15.117 -10.850 1.00 0.00 H new ATOM 0 HD23 LEU C 24 6.862 13.645 -10.331 1.00 0.00 H new ATOM 257 N SER C 25 2.588 11.572 -9.794 1.00 0.00 N ATOM 258 CA SER C 25 1.579 10.514 -9.533 1.00 0.00 C ATOM 259 C SER C 25 0.648 10.395 -10.741 1.00 0.00 C ATOM 260 O SER C 25 0.260 11.381 -11.336 1.00 0.00 O ATOM 261 CB SER C 25 0.762 10.895 -8.300 1.00 0.00 C ATOM 262 OG SER C 25 1.216 12.144 -7.800 1.00 0.00 O ATOM 0 H SER C 25 2.226 12.526 -9.790 1.00 0.00 H new ATOM 0 HA SER C 25 2.079 9.561 -9.362 1.00 0.00 H new ATOM 0 HB2 SER C 25 -0.296 10.956 -8.556 1.00 0.00 H new ATOM 0 HB3 SER C 25 0.861 10.127 -7.533 1.00 0.00 H new ATOM 0 HG SER C 25 0.691 12.390 -7.010 1.00 0.00 H new ATOM 268 N PHE C 26 0.286 9.197 -11.114 1.00 0.00 N ATOM 269 CA PHE C 26 -0.620 9.034 -12.285 1.00 0.00 C ATOM 270 C PHE C 26 -1.812 8.163 -11.897 1.00 0.00 C ATOM 271 O PHE C 26 -1.922 7.703 -10.777 1.00 0.00 O ATOM 272 CB PHE C 26 0.134 8.381 -13.445 1.00 0.00 C ATOM 273 CG PHE C 26 0.784 7.077 -12.978 1.00 0.00 C ATOM 274 CD1 PHE C 26 0.079 5.891 -13.025 1.00 0.00 C ATOM 275 CD2 PHE C 26 2.091 7.066 -12.523 1.00 0.00 C ATOM 276 CE1 PHE C 26 0.669 4.709 -12.624 1.00 0.00 C ATOM 277 CE2 PHE C 26 2.680 5.883 -12.123 1.00 0.00 C ATOM 278 CZ PHE C 26 1.970 4.706 -12.174 1.00 0.00 C ATOM 0 H PHE C 26 0.577 8.330 -10.662 1.00 0.00 H new ATOM 0 HA PHE C 26 -0.974 10.016 -12.597 1.00 0.00 H new ATOM 0 HB2 PHE C 26 -0.552 8.181 -14.268 1.00 0.00 H new ATOM 0 HB3 PHE C 26 0.896 9.062 -13.823 1.00 0.00 H new ATOM 0 HD1 PHE C 26 -0.942 5.888 -13.378 1.00 0.00 H new ATOM 0 HD2 PHE C 26 2.653 7.987 -12.481 1.00 0.00 H new ATOM 0 HE1 PHE C 26 0.109 3.786 -12.663 1.00 0.00 H new ATOM 0 HE2 PHE C 26 3.700 5.882 -11.769 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.432 3.781 -11.862 1.00 0.00 H new ATOM 288 N LYS C 27 -2.702 7.931 -12.817 1.00 0.00 N ATOM 289 CA LYS C 27 -3.890 7.089 -12.508 1.00 0.00 C ATOM 290 C LYS C 27 -4.005 5.963 -13.536 1.00 0.00 C ATOM 291 O LYS C 27 -3.192 5.839 -14.430 1.00 0.00 O ATOM 292 CB LYS C 27 -5.151 7.953 -12.556 1.00 0.00 C ATOM 293 CG LYS C 27 -5.522 8.388 -11.137 1.00 0.00 C ATOM 294 CD LYS C 27 -6.979 8.017 -10.854 1.00 0.00 C ATOM 295 CE LYS C 27 -7.881 9.212 -11.169 1.00 0.00 C ATOM 296 NZ LYS C 27 -9.215 9.004 -10.540 1.00 0.00 N ATOM 0 H LYS C 27 -2.659 8.288 -13.772 1.00 0.00 H new ATOM 0 HA LYS C 27 -3.779 6.659 -11.513 1.00 0.00 H new ATOM 0 HB2 LYS C 27 -4.982 8.828 -13.184 1.00 0.00 H new ATOM 0 HB3 LYS C 27 -5.972 7.393 -13.003 1.00 0.00 H new ATOM 0 HG2 LYS C 27 -4.865 7.904 -10.414 1.00 0.00 H new ATOM 0 HG3 LYS C 27 -5.381 9.463 -11.026 1.00 0.00 H new ATOM 0 HD2 LYS C 27 -7.271 7.158 -11.459 1.00 0.00 H new ATOM 0 HD3 LYS C 27 -7.095 7.726 -9.810 1.00 0.00 H new ATOM 0 HE2 LYS C 27 -7.430 10.131 -10.795 1.00 0.00 H new ATOM 0 HE3 LYS C 27 -7.989 9.326 -12.248 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 -9.830 9.815 -10.753 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 -9.645 8.135 -10.917 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 -9.103 8.916 -9.510 1.00 0.00 H new ATOM 310 N LYS C 28 -5.012 5.143 -13.417 1.00 0.00 N ATOM 311 CA LYS C 28 -5.183 4.024 -14.386 1.00 0.00 C ATOM 312 C LYS C 28 -5.781 4.565 -15.686 1.00 0.00 C ATOM 313 O LYS C 28 -6.977 4.525 -15.894 1.00 0.00 O ATOM 314 CB LYS C 28 -6.121 2.974 -13.789 1.00 0.00 C ATOM 315 CG LYS C 28 -6.530 1.977 -14.876 1.00 0.00 C ATOM 316 CD LYS C 28 -7.223 0.777 -14.229 1.00 0.00 C ATOM 317 CE LYS C 28 -8.733 1.024 -14.180 1.00 0.00 C ATOM 318 NZ LYS C 28 -9.376 0.413 -15.377 1.00 0.00 N ATOM 0 H LYS C 28 -5.725 5.199 -12.690 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.215 3.569 -14.594 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -5.626 2.452 -12.970 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -7.005 3.456 -13.372 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -7.199 2.456 -15.591 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -5.652 1.648 -15.432 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -7.010 -0.129 -14.797 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -6.837 0.620 -13.222 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -9.153 0.595 -13.270 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -8.936 2.094 -14.151 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -10.402 0.581 -15.344 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -8.983 0.842 -16.239 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -9.193 -0.611 -15.385 1.00 0.00 H new ATOM 332 N GLY C 29 -4.957 5.071 -16.563 1.00 0.00 N ATOM 333 CA GLY C 29 -5.477 5.614 -17.849 1.00 0.00 C ATOM 334 C GLY C 29 -4.420 6.522 -18.481 1.00 0.00 C ATOM 335 O GLY C 29 -4.303 6.607 -19.687 1.00 0.00 O ATOM 0 H GLY C 29 -3.946 5.132 -16.444 1.00 0.00 H new ATOM 0 HA2 GLY C 29 -5.724 4.798 -18.528 1.00 0.00 H new ATOM 0 HA3 GLY C 29 -6.396 6.173 -17.675 1.00 0.00 H new ATOM 339 N GLU C 30 -3.651 7.201 -17.676 1.00 0.00 N ATOM 340 CA GLU C 30 -2.603 8.103 -18.230 1.00 0.00 C ATOM 341 C GLU C 30 -1.503 7.264 -18.884 1.00 0.00 C ATOM 342 O GLU C 30 -1.197 6.174 -18.442 1.00 0.00 O ATOM 343 CB GLU C 30 -2.001 8.942 -17.100 1.00 0.00 C ATOM 344 CG GLU C 30 -0.856 9.794 -17.650 1.00 0.00 C ATOM 345 CD GLU C 30 -1.163 11.274 -17.415 1.00 0.00 C ATOM 346 OE1 GLU C 30 -2.058 11.785 -18.068 1.00 0.00 O ATOM 347 OE2 GLU C 30 -0.498 11.872 -16.585 1.00 0.00 O ATOM 0 H GLU C 30 -3.703 7.170 -16.658 1.00 0.00 H new ATOM 0 HA GLU C 30 -3.048 8.763 -18.974 1.00 0.00 H new ATOM 0 HB2 GLU C 30 -2.766 9.582 -16.661 1.00 0.00 H new ATOM 0 HB3 GLU C 30 -1.635 8.292 -16.305 1.00 0.00 H new ATOM 0 HG2 GLU C 30 0.080 9.524 -17.161 1.00 0.00 H new ATOM 0 HG3 GLU C 30 -0.726 9.603 -18.715 1.00 0.00 H new ATOM 354 N ARG C 31 -0.907 7.761 -19.931 1.00 0.00 N ATOM 355 CA ARG C 31 0.171 6.990 -20.611 1.00 0.00 C ATOM 356 C ARG C 31 1.524 7.651 -20.337 1.00 0.00 C ATOM 357 O ARG C 31 1.651 8.859 -20.349 1.00 0.00 O ATOM 358 CB ARG C 31 -0.090 6.970 -22.118 1.00 0.00 C ATOM 359 CG ARG C 31 -0.790 5.663 -22.497 1.00 0.00 C ATOM 360 CD ARG C 31 -0.349 5.236 -23.898 1.00 0.00 C ATOM 361 NE ARG C 31 -1.393 5.626 -24.886 1.00 0.00 N ATOM 362 CZ ARG C 31 -1.396 5.097 -26.081 1.00 0.00 C ATOM 363 NH1 ARG C 31 -0.485 4.224 -26.414 1.00 0.00 N ATOM 364 NH2 ARG C 31 -2.313 5.444 -26.943 1.00 0.00 N ATOM 0 H ARG C 31 -1.120 8.668 -20.346 1.00 0.00 H new ATOM 0 HA ARG C 31 0.182 5.969 -20.230 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -0.708 7.822 -22.402 1.00 0.00 H new ATOM 0 HB3 ARG C 31 0.850 7.063 -22.662 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -0.546 4.884 -21.774 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -1.872 5.796 -22.469 1.00 0.00 H new ATOM 0 HD2 ARG C 31 0.601 5.707 -24.151 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -0.189 4.158 -23.928 1.00 0.00 H new ATOM 0 HE ARG C 31 -2.107 6.307 -24.629 1.00 0.00 H new ATOM 0 HH11 ARG C 31 0.232 3.953 -25.741 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -0.490 3.813 -27.347 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -3.025 6.127 -26.683 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -2.317 5.033 -27.876 1.00 0.00 H new ATOM 378 N LEU C 32 2.539 6.867 -20.090 1.00 0.00 N ATOM 379 CA LEU C 32 3.881 7.450 -19.815 1.00 0.00 C ATOM 380 C LEU C 32 4.884 6.920 -20.841 1.00 0.00 C ATOM 381 O LEU C 32 4.849 5.764 -21.216 1.00 0.00 O ATOM 382 CB LEU C 32 4.331 7.056 -18.407 1.00 0.00 C ATOM 383 CG LEU C 32 3.377 7.665 -17.377 1.00 0.00 C ATOM 384 CD1 LEU C 32 2.438 6.579 -16.848 1.00 0.00 C ATOM 385 CD2 LEU C 32 4.182 8.252 -16.217 1.00 0.00 C ATOM 0 H LEU C 32 2.495 5.848 -20.067 1.00 0.00 H new ATOM 0 HA LEU C 32 3.828 8.536 -19.886 1.00 0.00 H new ATOM 0 HB2 LEU C 32 4.345 5.971 -18.309 1.00 0.00 H new ATOM 0 HB3 LEU C 32 5.348 7.405 -18.228 1.00 0.00 H new ATOM 0 HG LEU C 32 2.792 8.455 -17.848 1.00 0.00 H new ATOM 0 HD11 LEU C 32 1.758 7.012 -16.114 1.00 0.00 H new ATOM 0 HD12 LEU C 32 1.862 6.162 -17.674 1.00 0.00 H new ATOM 0 HD13 LEU C 32 3.024 5.789 -16.378 1.00 0.00 H new ATOM 0 HD21 LEU C 32 3.501 8.685 -15.484 1.00 0.00 H new ATOM 0 HD22 LEU C 32 4.769 7.464 -15.745 1.00 0.00 H new ATOM 0 HD23 LEU C 32 4.851 9.026 -16.593 1.00 0.00 H new ATOM 397 N GLN C 33 5.780 7.752 -21.298 1.00 0.00 N ATOM 398 CA GLN C 33 6.781 7.291 -22.298 1.00 0.00 C ATOM 399 C GLN C 33 8.032 6.779 -21.578 1.00 0.00 C ATOM 400 O GLN C 33 8.840 7.547 -21.096 1.00 0.00 O ATOM 401 CB GLN C 33 7.159 8.456 -23.216 1.00 0.00 C ATOM 402 CG GLN C 33 7.782 7.911 -24.502 1.00 0.00 C ATOM 403 CD GLN C 33 7.420 8.826 -25.673 1.00 0.00 C ATOM 404 OE1 GLN C 33 7.624 10.111 -25.569 1.00 0.00 O flip ATOM 405 NE2 GLN C 33 6.948 8.367 -26.695 1.00 0.00 N flip ATOM 0 H GLN C 33 5.861 8.730 -21.021 1.00 0.00 H new ATOM 0 HA GLN C 33 6.352 6.484 -22.892 1.00 0.00 H new ATOM 0 HB2 GLN C 33 6.275 9.049 -23.451 1.00 0.00 H new ATOM 0 HB3 GLN C 33 7.862 9.118 -22.711 1.00 0.00 H new ATOM 0 HG2 GLN C 33 8.865 7.850 -24.396 1.00 0.00 H new ATOM 0 HG3 GLN C 33 7.423 6.900 -24.692 1.00 0.00 H new ATOM 0 HE21 GLN C 33 6.788 7.363 -26.777 1.00 0.00 H new ATOM 0 HE22 GLN C 33 6.712 8.986 -27.471 1.00 0.00 H new ATOM 414 N ILE C 34 8.196 5.486 -21.502 1.00 0.00 N ATOM 415 CA ILE C 34 9.392 4.922 -20.814 1.00 0.00 C ATOM 416 C ILE C 34 10.655 5.587 -21.365 1.00 0.00 C ATOM 417 O ILE C 34 10.703 5.995 -22.508 1.00 0.00 O ATOM 418 CB ILE C 34 9.455 3.413 -21.063 1.00 0.00 C ATOM 419 CG1 ILE C 34 8.144 2.765 -20.614 1.00 0.00 C ATOM 420 CG2 ILE C 34 10.617 2.814 -20.269 1.00 0.00 C ATOM 421 CD1 ILE C 34 7.765 3.285 -19.225 1.00 0.00 C ATOM 0 H ILE C 34 7.552 4.795 -21.887 1.00 0.00 H new ATOM 0 HA ILE C 34 9.322 5.110 -19.743 1.00 0.00 H new ATOM 0 HB ILE C 34 9.606 3.227 -22.126 1.00 0.00 H new ATOM 0 HG12 ILE C 34 7.351 2.992 -21.327 1.00 0.00 H new ATOM 0 HG13 ILE C 34 8.252 1.681 -20.591 1.00 0.00 H new ATOM 0 HG21 ILE C 34 10.663 1.739 -20.446 1.00 0.00 H new ATOM 0 HG22 ILE C 34 11.552 3.274 -20.589 1.00 0.00 H new ATOM 0 HG23 ILE C 34 10.466 3.001 -19.206 1.00 0.00 H new ATOM 0 HD11 ILE C 34 6.831 2.823 -18.906 1.00 0.00 H new ATOM 0 HD12 ILE C 34 8.554 3.036 -18.515 1.00 0.00 H new ATOM 0 HD13 ILE C 34 7.640 4.367 -19.263 1.00 0.00 H new ATOM 433 N VAL C 35 11.680 5.701 -20.562 1.00 0.00 N ATOM 434 CA VAL C 35 12.934 6.343 -21.051 1.00 0.00 C ATOM 435 C VAL C 35 14.086 5.341 -21.018 1.00 0.00 C ATOM 436 O VAL C 35 14.967 5.369 -21.856 1.00 0.00 O ATOM 437 CB VAL C 35 13.279 7.535 -20.159 1.00 0.00 C ATOM 438 CG1 VAL C 35 14.681 8.040 -20.506 1.00 0.00 C ATOM 439 CG2 VAL C 35 12.263 8.656 -20.395 1.00 0.00 C ATOM 0 H VAL C 35 11.703 5.379 -19.594 1.00 0.00 H new ATOM 0 HA VAL C 35 12.781 6.680 -22.076 1.00 0.00 H new ATOM 0 HB VAL C 35 13.250 7.229 -19.113 1.00 0.00 H new ATOM 0 HG11 VAL C 35 14.929 8.890 -19.871 1.00 0.00 H new ATOM 0 HG12 VAL C 35 15.406 7.242 -20.344 1.00 0.00 H new ATOM 0 HG13 VAL C 35 14.709 8.348 -21.551 1.00 0.00 H new ATOM 0 HG21 VAL C 35 12.507 9.508 -19.760 1.00 0.00 H new ATOM 0 HG22 VAL C 35 12.295 8.962 -21.441 1.00 0.00 H new ATOM 0 HG23 VAL C 35 11.263 8.297 -20.153 1.00 0.00 H new ATOM 449 N ASN C 36 14.097 4.456 -20.063 1.00 0.00 N ATOM 450 CA ASN C 36 15.209 3.464 -19.997 1.00 0.00 C ATOM 451 C ASN C 36 14.689 2.101 -19.529 1.00 0.00 C ATOM 452 O ASN C 36 14.849 1.107 -20.205 1.00 0.00 O ATOM 453 CB ASN C 36 16.271 3.965 -19.017 1.00 0.00 C ATOM 454 CG ASN C 36 17.395 2.933 -18.905 1.00 0.00 C ATOM 455 OD1 ASN C 36 17.533 2.073 -19.753 1.00 0.00 O ATOM 456 ND2 ASN C 36 18.211 2.983 -17.888 1.00 0.00 N ATOM 0 H ASN C 36 13.392 4.375 -19.330 1.00 0.00 H new ATOM 0 HA ASN C 36 15.640 3.350 -20.992 1.00 0.00 H new ATOM 0 HB2 ASN C 36 16.673 4.919 -19.357 1.00 0.00 H new ATOM 0 HB3 ASN C 36 15.824 4.138 -18.038 1.00 0.00 H new ATOM 0 HD21 ASN C 36 18.964 2.301 -17.805 1.00 0.00 H new ATOM 0 HD22 ASN C 36 18.095 3.705 -17.176 1.00 0.00 H new ATOM 463 N ASN C 37 14.079 2.052 -18.377 1.00 0.00 N ATOM 464 CA ASN C 37 13.545 0.761 -17.848 1.00 0.00 C ATOM 465 C ASN C 37 14.650 -0.302 -17.839 1.00 0.00 C ATOM 466 O ASN C 37 15.120 -0.744 -18.868 1.00 0.00 O ATOM 467 CB ASN C 37 12.348 0.290 -18.692 1.00 0.00 C ATOM 468 CG ASN C 37 12.827 -0.440 -19.952 1.00 0.00 C ATOM 469 OD1 ASN C 37 13.216 -1.591 -19.890 1.00 0.00 O ATOM 470 ND2 ASN C 37 12.805 0.180 -21.100 1.00 0.00 N ATOM 0 H ASN C 37 13.925 2.859 -17.772 1.00 0.00 H new ATOM 0 HA ASN C 37 13.203 0.915 -16.825 1.00 0.00 H new ATOM 0 HB2 ASN C 37 11.717 -0.373 -18.099 1.00 0.00 H new ATOM 0 HB3 ASN C 37 11.735 1.147 -18.973 1.00 0.00 H new ATOM 0 HD21 ASN C 37 13.114 -0.300 -21.945 1.00 0.00 H new ATOM 0 HD22 ASN C 37 12.479 1.145 -21.152 1.00 0.00 H new ATOM 477 N THR C 38 15.066 -0.713 -16.674 1.00 0.00 N ATOM 478 CA THR C 38 16.138 -1.743 -16.580 1.00 0.00 C ATOM 479 C THR C 38 16.483 -1.997 -15.109 1.00 0.00 C ATOM 480 O THR C 38 16.906 -3.073 -14.740 1.00 0.00 O ATOM 481 CB THR C 38 17.384 -1.251 -17.319 1.00 0.00 C ATOM 482 OG1 THR C 38 18.368 -2.276 -17.320 1.00 0.00 O ATOM 483 CG2 THR C 38 17.940 -0.008 -16.623 1.00 0.00 C ATOM 0 H THR C 38 14.708 -0.379 -15.779 1.00 0.00 H new ATOM 0 HA THR C 38 15.788 -2.670 -17.033 1.00 0.00 H new ATOM 0 HB THR C 38 17.119 -0.999 -18.346 1.00 0.00 H new ATOM 0 HG1 THR C 38 19.166 -1.963 -17.794 1.00 0.00 H new ATOM 0 HG21 THR C 38 18.827 0.339 -17.152 1.00 0.00 H new ATOM 0 HG22 THR C 38 17.185 0.778 -16.625 1.00 0.00 H new ATOM 0 HG23 THR C 38 18.204 -0.254 -15.595 1.00 0.00 H new ATOM 491 N GLU C 39 16.306 -1.015 -14.266 1.00 0.00 N ATOM 492 CA GLU C 39 16.625 -1.205 -12.823 1.00 0.00 C ATOM 493 C GLU C 39 15.923 -2.462 -12.308 1.00 0.00 C ATOM 494 O GLU C 39 16.453 -3.552 -12.377 1.00 0.00 O ATOM 495 CB GLU C 39 16.148 0.013 -12.031 1.00 0.00 C ATOM 496 CG GLU C 39 17.329 0.957 -11.790 1.00 0.00 C ATOM 497 CD GLU C 39 17.750 1.594 -13.115 1.00 0.00 C ATOM 498 OE1 GLU C 39 16.916 1.680 -14.001 1.00 0.00 O ATOM 499 OE2 GLU C 39 18.901 1.987 -13.222 1.00 0.00 O ATOM 0 H GLU C 39 15.954 -0.090 -14.515 1.00 0.00 H new ATOM 0 HA GLU C 39 17.702 -1.316 -12.699 1.00 0.00 H new ATOM 0 HB2 GLU C 39 15.360 0.531 -12.578 1.00 0.00 H new ATOM 0 HB3 GLU C 39 15.721 -0.303 -11.079 1.00 0.00 H new ATOM 0 HG2 GLU C 39 17.050 1.731 -11.075 1.00 0.00 H new ATOM 0 HG3 GLU C 39 18.165 0.408 -11.356 1.00 0.00 H new ATOM 506 N GLY C 40 14.734 -2.322 -11.787 1.00 0.00 N ATOM 507 CA GLY C 40 14.006 -3.515 -11.270 1.00 0.00 C ATOM 508 C GLY C 40 12.550 -3.150 -10.973 1.00 0.00 C ATOM 509 O GLY C 40 11.652 -3.946 -11.162 1.00 0.00 O ATOM 0 H GLY C 40 14.237 -1.436 -11.697 1.00 0.00 H new ATOM 0 HA2 GLY C 40 14.045 -4.321 -12.002 1.00 0.00 H new ATOM 0 HA3 GLY C 40 14.490 -3.883 -10.365 1.00 0.00 H new ATOM 513 N ASP C 41 12.305 -1.955 -10.511 1.00 0.00 N ATOM 514 CA ASP C 41 10.903 -1.551 -10.206 1.00 0.00 C ATOM 515 C ASP C 41 10.790 -0.025 -10.198 1.00 0.00 C ATOM 516 O ASP C 41 9.996 0.543 -9.475 1.00 0.00 O ATOM 517 CB ASP C 41 10.502 -2.096 -8.835 1.00 0.00 C ATOM 518 CG ASP C 41 10.150 -3.580 -8.959 1.00 0.00 C ATOM 519 OD1 ASP C 41 11.046 -4.396 -8.819 1.00 0.00 O ATOM 520 OD2 ASP C 41 8.989 -3.875 -9.195 1.00 0.00 O ATOM 0 H ASP C 41 13.012 -1.242 -10.332 1.00 0.00 H new ATOM 0 HA ASP C 41 10.240 -1.956 -10.971 1.00 0.00 H new ATOM 0 HB2 ASP C 41 11.319 -1.963 -8.126 1.00 0.00 H new ATOM 0 HB3 ASP C 41 9.649 -1.540 -8.446 1.00 0.00 H new ATOM 525 N TRP C 42 11.575 0.645 -10.997 1.00 0.00 N ATOM 526 CA TRP C 42 11.506 2.133 -11.030 1.00 0.00 C ATOM 527 C TRP C 42 12.122 2.646 -12.331 1.00 0.00 C ATOM 528 O TRP C 42 13.297 2.471 -12.584 1.00 0.00 O ATOM 529 CB TRP C 42 12.276 2.703 -9.838 1.00 0.00 C ATOM 530 CG TRP C 42 11.504 2.410 -8.551 1.00 0.00 C ATOM 531 CD1 TRP C 42 11.821 1.454 -7.662 1.00 0.00 C ATOM 532 CD2 TRP C 42 10.413 3.058 -8.152 1.00 0.00 C ATOM 533 NE1 TRP C 42 10.874 1.566 -6.730 1.00 0.00 N ATOM 534 CE2 TRP C 42 9.955 2.540 -6.956 1.00 0.00 C ATOM 535 CE3 TRP C 42 9.741 4.102 -8.753 1.00 0.00 C ATOM 536 CZ2 TRP C 42 8.827 3.067 -6.362 1.00 0.00 C ATOM 537 CZ3 TRP C 42 8.612 4.630 -8.158 1.00 0.00 C ATOM 538 CH2 TRP C 42 8.156 4.112 -6.963 1.00 0.00 C ATOM 0 H TRP C 42 12.260 0.227 -11.627 1.00 0.00 H new ATOM 0 HA TRP C 42 10.465 2.450 -10.976 1.00 0.00 H new ATOM 0 HB2 TRP C 42 13.271 2.260 -9.788 1.00 0.00 H new ATOM 0 HB3 TRP C 42 12.411 3.778 -9.958 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.647 0.759 -7.694 1.00 0.00 H new ATOM 0 HE1 TRP C 42 10.842 0.964 -5.907 1.00 0.00 H new ATOM 0 HE3 TRP C 42 10.098 4.506 -9.689 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 8.469 2.662 -5.427 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 8.086 5.448 -8.628 1.00 0.00 H new ATOM 0 HH2 TRP C 42 7.273 4.525 -6.498 1.00 0.00 H new ATOM 549 N TRP C 43 11.338 3.280 -13.159 1.00 0.00 N ATOM 550 CA TRP C 43 11.882 3.802 -14.443 1.00 0.00 C ATOM 551 C TRP C 43 11.584 5.296 -14.561 1.00 0.00 C ATOM 552 O TRP C 43 10.701 5.821 -13.906 1.00 0.00 O ATOM 553 CB TRP C 43 11.220 3.081 -15.617 1.00 0.00 C ATOM 554 CG TRP C 43 11.240 1.569 -15.387 1.00 0.00 C ATOM 555 CD1 TRP C 43 12.220 0.893 -14.765 1.00 0.00 C ATOM 556 CD2 TRP C 43 10.306 0.724 -15.818 1.00 0.00 C ATOM 557 NE1 TRP C 43 11.827 -0.379 -14.856 1.00 0.00 N ATOM 558 CE2 TRP C 43 10.647 -0.575 -15.494 1.00 0.00 C ATOM 559 CE3 TRP C 43 9.132 0.981 -16.494 1.00 0.00 C ATOM 560 CZ2 TRP C 43 9.814 -1.615 -15.850 1.00 0.00 C ATOM 561 CZ3 TRP C 43 8.298 -0.059 -16.850 1.00 0.00 C ATOM 562 CH2 TRP C 43 8.638 -1.358 -16.527 1.00 0.00 C ATOM 0 H TRP C 43 10.346 3.459 -13.002 1.00 0.00 H new ATOM 0 HA TRP C 43 12.959 3.633 -14.461 1.00 0.00 H new ATOM 0 HB2 TRP C 43 10.192 3.425 -15.732 1.00 0.00 H new ATOM 0 HB3 TRP C 43 11.742 3.322 -16.543 1.00 0.00 H new ATOM 0 HD1 TRP C 43 13.113 1.285 -14.302 1.00 0.00 H new ATOM 0 HE1 TRP C 43 12.375 -1.149 -14.473 1.00 0.00 H new ATOM 0 HE3 TRP C 43 8.865 1.997 -16.745 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 10.081 -2.631 -15.599 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 7.380 0.143 -17.381 1.00 0.00 H new ATOM 0 HH2 TRP C 43 7.985 -2.172 -16.804 1.00 0.00 H new ATOM 573 N LEU C 44 12.305 5.983 -15.403 1.00 0.00 N ATOM 574 CA LEU C 44 12.069 7.438 -15.569 1.00 0.00 C ATOM 575 C LEU C 44 11.201 7.631 -16.806 1.00 0.00 C ATOM 576 O LEU C 44 11.655 7.488 -17.917 1.00 0.00 O ATOM 577 CB LEU C 44 13.406 8.160 -15.759 1.00 0.00 C ATOM 578 CG LEU C 44 13.153 9.623 -16.127 1.00 0.00 C ATOM 579 CD1 LEU C 44 14.394 10.450 -15.790 1.00 0.00 C ATOM 580 CD2 LEU C 44 12.862 9.735 -17.624 1.00 0.00 C ATOM 0 H LEU C 44 13.049 5.595 -15.983 1.00 0.00 H new ATOM 0 HA LEU C 44 11.575 7.847 -14.688 1.00 0.00 H new ATOM 0 HB2 LEU C 44 13.995 8.102 -14.844 1.00 0.00 H new ATOM 0 HB3 LEU C 44 13.986 7.673 -16.543 1.00 0.00 H new ATOM 0 HG LEU C 44 12.297 9.995 -15.564 1.00 0.00 H new ATOM 0 HD11 LEU C 44 14.218 11.494 -16.051 1.00 0.00 H new ATOM 0 HD12 LEU C 44 14.604 10.373 -14.723 1.00 0.00 H new ATOM 0 HD13 LEU C 44 15.247 10.074 -16.355 1.00 0.00 H new ATOM 0 HD21 LEU C 44 12.682 10.778 -17.883 1.00 0.00 H new ATOM 0 HD22 LEU C 44 13.716 9.363 -18.190 1.00 0.00 H new ATOM 0 HD23 LEU C 44 11.980 9.143 -17.868 1.00 0.00 H new ATOM 592 N ALA C 45 9.953 7.940 -16.634 1.00 0.00 N ATOM 593 CA ALA C 45 9.086 8.132 -17.823 1.00 0.00 C ATOM 594 C ALA C 45 8.741 9.613 -17.982 1.00 0.00 C ATOM 595 O ALA C 45 8.613 10.342 -17.018 1.00 0.00 O ATOM 596 CB ALA C 45 7.799 7.322 -17.654 1.00 0.00 C ATOM 0 H ALA C 45 9.497 8.067 -15.731 1.00 0.00 H new ATOM 0 HA ALA C 45 9.617 7.791 -18.712 1.00 0.00 H new ATOM 0 HB1 ALA C 45 7.163 7.463 -18.528 1.00 0.00 H new ATOM 0 HB2 ALA C 45 8.045 6.265 -17.552 1.00 0.00 H new ATOM 0 HB3 ALA C 45 7.271 7.660 -16.762 1.00 0.00 H new ATOM 602 N HIS C 46 8.595 10.058 -19.199 1.00 0.00 N ATOM 603 CA HIS C 46 8.258 11.488 -19.442 1.00 0.00 C ATOM 604 C HIS C 46 6.800 11.574 -19.913 1.00 0.00 C ATOM 605 O HIS C 46 6.396 10.900 -20.839 1.00 0.00 O ATOM 606 CB HIS C 46 9.209 12.050 -20.515 1.00 0.00 C ATOM 607 CG HIS C 46 8.527 13.170 -21.310 1.00 0.00 C ATOM 608 ND1 HIS C 46 7.598 13.092 -22.331 1.00 0.00 N flip ATOM 609 CD2 HIS C 46 8.726 14.410 -21.143 1.00 0.00 C flip ATOM 610 CE1 HIS C 46 7.273 14.328 -22.742 1.00 0.00 C flip ATOM 611 NE2 HIS C 46 8.013 15.095 -21.957 1.00 0.00 N flip ATOM 0 H HIS C 46 8.695 9.489 -20.040 1.00 0.00 H new ATOM 0 HA HIS C 46 8.373 12.073 -18.530 1.00 0.00 H new ATOM 0 HB2 HIS C 46 10.114 12.432 -20.042 1.00 0.00 H new ATOM 0 HB3 HIS C 46 9.515 11.252 -21.191 1.00 0.00 H new ATOM 0 HD1 HIS C 46 7.217 12.227 -22.714 1.00 0.00 H new ATOM 0 HD2 HIS C 46 9.403 14.831 -20.415 1.00 0.00 H new ATOM 0 HE1 HIS C 46 6.582 14.622 -23.518 1.00 0.00 H new ATOM 619 N SER C 47 6.009 12.396 -19.279 1.00 0.00 N ATOM 620 CA SER C 47 4.583 12.523 -19.691 1.00 0.00 C ATOM 621 C SER C 47 4.478 13.446 -20.907 1.00 0.00 C ATOM 622 O SER C 47 5.180 14.431 -21.013 1.00 0.00 O ATOM 623 CB SER C 47 3.769 13.108 -18.535 1.00 0.00 C ATOM 624 OG SER C 47 3.827 12.228 -17.423 1.00 0.00 O ATOM 0 H SER C 47 6.289 12.985 -18.494 1.00 0.00 H new ATOM 0 HA SER C 47 4.193 11.539 -19.951 1.00 0.00 H new ATOM 0 HB2 SER C 47 4.161 14.087 -18.259 1.00 0.00 H new ATOM 0 HB3 SER C 47 2.734 13.255 -18.843 1.00 0.00 H new ATOM 0 HG SER C 47 3.307 12.603 -16.682 1.00 0.00 H new ATOM 630 N LEU C 48 3.605 13.133 -21.826 1.00 0.00 N ATOM 631 CA LEU C 48 3.454 13.993 -23.035 1.00 0.00 C ATOM 632 C LEU C 48 2.499 15.147 -22.725 1.00 0.00 C ATOM 633 O LEU C 48 2.401 16.102 -23.472 1.00 0.00 O ATOM 634 CB LEU C 48 2.887 13.160 -24.187 1.00 0.00 C ATOM 635 CG LEU C 48 3.637 11.829 -24.275 1.00 0.00 C ATOM 636 CD1 LEU C 48 2.885 10.882 -25.212 1.00 0.00 C ATOM 637 CD2 LEU C 48 5.047 12.071 -24.818 1.00 0.00 C ATOM 0 H LEU C 48 2.990 12.320 -21.792 1.00 0.00 H new ATOM 0 HA LEU C 48 4.428 14.392 -23.319 1.00 0.00 H new ATOM 0 HB2 LEU C 48 1.823 12.980 -24.030 1.00 0.00 H new ATOM 0 HB3 LEU C 48 2.983 13.706 -25.126 1.00 0.00 H new ATOM 0 HG LEU C 48 3.703 11.383 -23.283 1.00 0.00 H new ATOM 0 HD11 LEU C 48 3.418 9.934 -25.275 1.00 0.00 H new ATOM 0 HD12 LEU C 48 1.881 10.709 -24.825 1.00 0.00 H new ATOM 0 HD13 LEU C 48 2.819 11.328 -26.204 1.00 0.00 H new ATOM 0 HD21 LEU C 48 5.581 11.123 -24.880 1.00 0.00 H new ATOM 0 HD22 LEU C 48 4.983 12.517 -25.810 1.00 0.00 H new ATOM 0 HD23 LEU C 48 5.583 12.746 -24.151 1.00 0.00 H new ATOM 649 N THR C 49 1.790 15.069 -21.632 1.00 0.00 N ATOM 650 CA THR C 49 0.843 16.164 -21.278 1.00 0.00 C ATOM 651 C THR C 49 1.551 17.513 -21.410 1.00 0.00 C ATOM 652 O THR C 49 1.563 18.119 -22.464 1.00 0.00 O ATOM 653 CB THR C 49 0.360 15.977 -19.838 1.00 0.00 C ATOM 654 OG1 THR C 49 -0.445 14.809 -19.758 1.00 0.00 O ATOM 655 CG2 THR C 49 -0.460 17.195 -19.410 1.00 0.00 C ATOM 0 H THR C 49 1.826 14.295 -20.969 1.00 0.00 H new ATOM 0 HA THR C 49 -0.013 16.136 -21.953 1.00 0.00 H new ATOM 0 HB THR C 49 1.220 15.872 -19.177 1.00 0.00 H new ATOM 0 HG1 THR C 49 -0.754 14.687 -18.836 1.00 0.00 H new ATOM 0 HG21 THR C 49 -0.803 17.060 -18.384 1.00 0.00 H new ATOM 0 HG22 THR C 49 0.159 18.090 -19.471 1.00 0.00 H new ATOM 0 HG23 THR C 49 -1.321 17.304 -20.069 1.00 0.00 H new ATOM 663 N THR C 50 2.142 17.990 -20.350 1.00 0.00 N ATOM 664 CA THR C 50 2.848 19.301 -20.416 1.00 0.00 C ATOM 665 C THR C 50 4.308 19.072 -20.817 1.00 0.00 C ATOM 666 O THR C 50 4.971 19.961 -21.313 1.00 0.00 O ATOM 667 CB THR C 50 2.798 19.978 -19.045 1.00 0.00 C ATOM 668 OG1 THR C 50 3.531 21.193 -19.094 1.00 0.00 O ATOM 669 CG2 THR C 50 3.412 19.052 -17.993 1.00 0.00 C ATOM 0 H THR C 50 2.167 17.529 -19.440 1.00 0.00 H new ATOM 0 HA THR C 50 2.362 19.939 -21.154 1.00 0.00 H new ATOM 0 HB THR C 50 1.762 20.187 -18.780 1.00 0.00 H new ATOM 0 HG1 THR C 50 3.499 21.630 -18.217 1.00 0.00 H new ATOM 0 HG21 THR C 50 3.376 19.536 -17.017 1.00 0.00 H new ATOM 0 HG22 THR C 50 2.850 18.119 -17.957 1.00 0.00 H new ATOM 0 HG23 THR C 50 4.449 18.841 -18.255 1.00 0.00 H new ATOM 677 N GLY C 51 4.812 17.887 -20.605 1.00 0.00 N ATOM 678 CA GLY C 51 6.228 17.602 -20.974 1.00 0.00 C ATOM 679 C GLY C 51 7.101 17.669 -19.720 1.00 0.00 C ATOM 680 O GLY C 51 7.972 18.507 -19.601 1.00 0.00 O ATOM 0 H GLY C 51 4.305 17.104 -20.192 1.00 0.00 H new ATOM 0 HA2 GLY C 51 6.305 16.616 -21.432 1.00 0.00 H new ATOM 0 HA3 GLY C 51 6.576 18.325 -21.712 1.00 0.00 H new ATOM 684 N GLN C 52 6.875 16.789 -18.781 1.00 0.00 N ATOM 685 CA GLN C 52 7.694 16.803 -17.537 1.00 0.00 C ATOM 686 C GLN C 52 8.230 15.397 -17.263 1.00 0.00 C ATOM 687 O GLN C 52 8.102 14.503 -18.075 1.00 0.00 O ATOM 688 CB GLN C 52 6.825 17.254 -16.361 1.00 0.00 C ATOM 689 CG GLN C 52 6.294 18.663 -16.631 1.00 0.00 C ATOM 690 CD GLN C 52 7.432 19.675 -16.475 1.00 0.00 C ATOM 691 OE1 GLN C 52 7.633 20.238 -15.314 1.00 0.00 O flip ATOM 692 NE2 GLN C 52 8.144 19.954 -17.417 1.00 0.00 N flip ATOM 0 H GLN C 52 6.160 16.063 -18.823 1.00 0.00 H new ATOM 0 HA GLN C 52 8.529 17.493 -17.659 1.00 0.00 H new ATOM 0 HB2 GLN C 52 5.995 16.561 -16.222 1.00 0.00 H new ATOM 0 HB3 GLN C 52 7.407 17.243 -15.440 1.00 0.00 H new ATOM 0 HG2 GLN C 52 5.878 18.720 -17.637 1.00 0.00 H new ATOM 0 HG3 GLN C 52 5.486 18.898 -15.938 1.00 0.00 H new ATOM 0 HE21 GLN C 52 7.986 19.514 -18.323 1.00 0.00 H new ATOM 0 HE22 GLN C 52 8.900 20.629 -17.302 1.00 0.00 H new ATOM 701 N THR C 53 8.832 15.197 -16.124 1.00 0.00 N ATOM 702 CA THR C 53 9.378 13.850 -15.795 1.00 0.00 C ATOM 703 C THR C 53 8.242 12.950 -15.308 1.00 0.00 C ATOM 704 O THR C 53 7.108 13.369 -15.213 1.00 0.00 O ATOM 705 CB THR C 53 10.435 13.986 -14.695 1.00 0.00 C ATOM 706 OG1 THR C 53 11.238 15.129 -14.955 1.00 0.00 O ATOM 707 CG2 THR C 53 11.315 12.737 -14.670 1.00 0.00 C ATOM 0 H THR C 53 8.970 15.908 -15.406 1.00 0.00 H new ATOM 0 HA THR C 53 9.834 13.411 -16.682 1.00 0.00 H new ATOM 0 HB THR C 53 9.943 14.097 -13.729 1.00 0.00 H new ATOM 0 HG1 THR C 53 11.915 15.220 -14.252 1.00 0.00 H new ATOM 0 HG21 THR C 53 12.066 12.837 -13.886 1.00 0.00 H new ATOM 0 HG22 THR C 53 10.698 11.861 -14.472 1.00 0.00 H new ATOM 0 HG23 THR C 53 11.810 12.621 -15.634 1.00 0.00 H new ATOM 715 N GLY C 54 8.532 11.713 -15.010 1.00 0.00 N ATOM 716 CA GLY C 54 7.457 10.802 -14.533 1.00 0.00 C ATOM 717 C GLY C 54 8.070 9.553 -13.896 1.00 0.00 C ATOM 718 O GLY C 54 7.892 8.454 -14.381 1.00 0.00 O ATOM 0 H GLY C 54 9.461 11.297 -15.076 1.00 0.00 H new ATOM 0 HA2 GLY C 54 6.828 11.318 -13.808 1.00 0.00 H new ATOM 0 HA3 GLY C 54 6.815 10.517 -15.366 1.00 0.00 H new ATOM 722 N TYR C 55 8.793 9.704 -12.817 1.00 0.00 N ATOM 723 CA TYR C 55 9.402 8.513 -12.173 1.00 0.00 C ATOM 724 C TYR C 55 8.268 7.572 -11.766 1.00 0.00 C ATOM 725 O TYR C 55 7.662 7.729 -10.726 1.00 0.00 O ATOM 726 CB TYR C 55 10.189 8.957 -10.938 1.00 0.00 C ATOM 727 CG TYR C 55 11.356 9.862 -11.357 1.00 0.00 C ATOM 728 CD1 TYR C 55 11.640 10.077 -12.692 1.00 0.00 C ATOM 729 CD2 TYR C 55 12.141 10.481 -10.403 1.00 0.00 C ATOM 730 CE1 TYR C 55 12.688 10.894 -13.064 1.00 0.00 C ATOM 731 CE2 TYR C 55 13.188 11.298 -10.777 1.00 0.00 C ATOM 732 CZ TYR C 55 13.470 11.510 -12.110 1.00 0.00 C ATOM 733 OH TYR C 55 14.518 12.327 -12.484 1.00 0.00 O ATOM 0 H TYR C 55 8.985 10.595 -12.360 1.00 0.00 H new ATOM 0 HA TYR C 55 10.083 8.004 -12.856 1.00 0.00 H new ATOM 0 HB2 TYR C 55 9.533 9.491 -10.251 1.00 0.00 H new ATOM 0 HB3 TYR C 55 10.567 8.085 -10.405 1.00 0.00 H new ATOM 0 HD1 TYR C 55 11.036 9.601 -13.451 1.00 0.00 H new ATOM 0 HD2 TYR C 55 11.933 10.324 -9.355 1.00 0.00 H new ATOM 0 HE1 TYR C 55 12.898 11.052 -14.112 1.00 0.00 H new ATOM 0 HE2 TYR C 55 13.792 11.775 -10.019 1.00 0.00 H new ATOM 0 HH TYR C 55 14.961 12.678 -11.683 1.00 0.00 H new ATOM 743 N ILE C 56 7.973 6.592 -12.575 1.00 0.00 N ATOM 744 CA ILE C 56 6.872 5.653 -12.220 1.00 0.00 C ATOM 745 C ILE C 56 7.429 4.259 -11.918 1.00 0.00 C ATOM 746 O ILE C 56 8.353 3.809 -12.566 1.00 0.00 O ATOM 747 CB ILE C 56 5.898 5.560 -13.395 1.00 0.00 C ATOM 748 CG1 ILE C 56 6.614 4.945 -14.600 1.00 0.00 C ATOM 749 CG2 ILE C 56 5.402 6.962 -13.758 1.00 0.00 C ATOM 750 CD1 ILE C 56 5.593 4.626 -15.693 1.00 0.00 C ATOM 0 H ILE C 56 8.443 6.402 -13.460 1.00 0.00 H new ATOM 0 HA ILE C 56 6.361 6.027 -11.333 1.00 0.00 H new ATOM 0 HB ILE C 56 5.049 4.935 -13.117 1.00 0.00 H new ATOM 0 HG12 ILE C 56 7.366 5.636 -14.981 1.00 0.00 H new ATOM 0 HG13 ILE C 56 7.138 4.037 -14.301 1.00 0.00 H new ATOM 0 HG21 ILE C 56 4.708 6.897 -14.596 1.00 0.00 H new ATOM 0 HG22 ILE C 56 4.895 7.402 -12.899 1.00 0.00 H new ATOM 0 HG23 ILE C 56 6.250 7.587 -14.038 1.00 0.00 H new ATOM 0 HD11 ILE C 56 6.103 4.188 -16.551 1.00 0.00 H new ATOM 0 HD12 ILE C 56 4.857 3.919 -15.309 1.00 0.00 H new ATOM 0 HD13 ILE C 56 5.090 5.543 -15.999 1.00 0.00 H new ATOM 762 N PRO C 57 6.845 3.615 -10.935 1.00 0.00 N ATOM 763 CA PRO C 57 7.264 2.263 -10.525 1.00 0.00 C ATOM 764 C PRO C 57 6.935 1.265 -11.638 1.00 0.00 C ATOM 765 O PRO C 57 6.115 1.527 -12.495 1.00 0.00 O ATOM 766 CB PRO C 57 6.438 1.959 -9.268 1.00 0.00 C ATOM 767 CG PRO C 57 5.461 3.145 -9.050 1.00 0.00 C ATOM 768 CD PRO C 57 5.740 4.188 -10.142 1.00 0.00 C ATOM 0 HA PRO C 57 8.335 2.193 -10.333 1.00 0.00 H new ATOM 0 HB2 PRO C 57 5.887 1.026 -9.388 1.00 0.00 H new ATOM 0 HB3 PRO C 57 7.089 1.835 -8.403 1.00 0.00 H new ATOM 0 HG2 PRO C 57 4.427 2.803 -9.103 1.00 0.00 H new ATOM 0 HG3 PRO C 57 5.603 3.580 -8.061 1.00 0.00 H new ATOM 0 HD2 PRO C 57 4.858 4.361 -10.759 1.00 0.00 H new ATOM 0 HD3 PRO C 57 6.020 5.149 -9.710 1.00 0.00 H new ATOM 776 N SER C 58 7.562 0.123 -11.635 1.00 0.00 N ATOM 777 CA SER C 58 7.280 -0.883 -12.694 1.00 0.00 C ATOM 778 C SER C 58 6.051 -1.714 -12.311 1.00 0.00 C ATOM 779 O SER C 58 5.314 -2.176 -13.160 1.00 0.00 O ATOM 780 CB SER C 58 8.489 -1.805 -12.843 1.00 0.00 C ATOM 781 OG SER C 58 8.271 -2.998 -12.106 1.00 0.00 O ATOM 0 H SER C 58 8.258 -0.157 -10.944 1.00 0.00 H new ATOM 0 HA SER C 58 7.085 -0.371 -13.636 1.00 0.00 H new ATOM 0 HB2 SER C 58 8.653 -2.040 -13.895 1.00 0.00 H new ATOM 0 HB3 SER C 58 9.388 -1.303 -12.485 1.00 0.00 H new ATOM 0 HG SER C 58 9.046 -3.589 -12.204 1.00 0.00 H new ATOM 787 N ASN C 59 5.819 -1.900 -11.039 1.00 0.00 N ATOM 788 CA ASN C 59 4.638 -2.702 -10.605 1.00 0.00 C ATOM 789 C ASN C 59 3.350 -1.893 -10.783 1.00 0.00 C ATOM 790 O ASN C 59 2.277 -2.343 -10.433 1.00 0.00 O ATOM 791 CB ASN C 59 4.799 -3.082 -9.131 1.00 0.00 C ATOM 792 CG ASN C 59 3.785 -4.171 -8.772 1.00 0.00 C ATOM 793 OD1 ASN C 59 3.126 -4.712 -9.637 1.00 0.00 O ATOM 794 ND2 ASN C 59 3.633 -4.519 -7.523 1.00 0.00 N ATOM 0 H ASN C 59 6.395 -1.532 -10.282 1.00 0.00 H new ATOM 0 HA ASN C 59 4.577 -3.602 -11.217 1.00 0.00 H new ATOM 0 HB2 ASN C 59 5.812 -3.438 -8.945 1.00 0.00 H new ATOM 0 HB3 ASN C 59 4.647 -2.206 -8.500 1.00 0.00 H new ATOM 0 HD21 ASN C 59 2.961 -5.245 -7.274 1.00 0.00 H new ATOM 0 HD22 ASN C 59 4.186 -4.065 -6.796 1.00 0.00 H new ATOM 801 N TYR C 60 3.440 -0.706 -11.319 1.00 0.00 N ATOM 802 CA TYR C 60 2.209 0.113 -11.510 1.00 0.00 C ATOM 803 C TYR C 60 2.017 0.420 -12.997 1.00 0.00 C ATOM 804 O TYR C 60 1.077 1.086 -13.384 1.00 0.00 O ATOM 805 CB TYR C 60 2.340 1.425 -10.735 1.00 0.00 C ATOM 806 CG TYR C 60 2.007 1.185 -9.262 1.00 0.00 C ATOM 807 CD1 TYR C 60 2.768 0.321 -8.503 1.00 0.00 C ATOM 808 CD2 TYR C 60 0.941 1.832 -8.668 1.00 0.00 C ATOM 809 CE1 TYR C 60 2.470 0.107 -7.172 1.00 0.00 C ATOM 810 CE2 TYR C 60 0.643 1.619 -7.339 1.00 0.00 C ATOM 811 CZ TYR C 60 1.405 0.755 -6.580 1.00 0.00 C ATOM 812 OH TYR C 60 1.105 0.538 -5.250 1.00 0.00 O ATOM 0 H TYR C 60 4.308 -0.270 -11.631 1.00 0.00 H new ATOM 0 HA TYR C 60 1.348 -0.445 -11.141 1.00 0.00 H new ATOM 0 HB2 TYR C 60 3.353 1.816 -10.830 1.00 0.00 H new ATOM 0 HB3 TYR C 60 1.668 2.175 -11.153 1.00 0.00 H new ATOM 0 HD1 TYR C 60 3.604 -0.193 -8.954 1.00 0.00 H new ATOM 0 HD2 TYR C 60 0.335 2.511 -9.250 1.00 0.00 H new ATOM 0 HE1 TYR C 60 3.075 -0.573 -6.590 1.00 0.00 H new ATOM 0 HE2 TYR C 60 -0.194 2.133 -6.888 1.00 0.00 H new ATOM 0 HH TYR C 60 1.869 0.112 -4.808 1.00 0.00 H new ATOM 822 N VAL C 61 2.896 -0.059 -13.836 1.00 0.00 N ATOM 823 CA VAL C 61 2.750 0.214 -15.296 1.00 0.00 C ATOM 824 C VAL C 61 3.126 -1.033 -16.094 1.00 0.00 C ATOM 825 O VAL C 61 3.706 -1.968 -15.579 1.00 0.00 O ATOM 826 CB VAL C 61 3.664 1.381 -15.693 1.00 0.00 C ATOM 827 CG1 VAL C 61 5.022 1.225 -15.006 1.00 0.00 C ATOM 828 CG2 VAL C 61 3.863 1.407 -17.211 1.00 0.00 C ATOM 0 H VAL C 61 3.704 -0.624 -13.576 1.00 0.00 H new ATOM 0 HA VAL C 61 1.715 0.477 -15.513 1.00 0.00 H new ATOM 0 HB VAL C 61 3.198 2.315 -15.380 1.00 0.00 H new ATOM 0 HG11 VAL C 61 5.670 2.054 -15.289 1.00 0.00 H new ATOM 0 HG12 VAL C 61 4.885 1.224 -13.925 1.00 0.00 H new ATOM 0 HG13 VAL C 61 5.480 0.285 -15.314 1.00 0.00 H new ATOM 0 HG21 VAL C 61 4.513 2.240 -17.478 1.00 0.00 H new ATOM 0 HG22 VAL C 61 4.320 0.472 -17.534 1.00 0.00 H new ATOM 0 HG23 VAL C 61 2.898 1.528 -17.702 1.00 0.00 H new ATOM 838 N ALA C 62 2.797 -1.047 -17.353 1.00 0.00 N ATOM 839 CA ALA C 62 3.127 -2.226 -18.202 1.00 0.00 C ATOM 840 C ALA C 62 3.267 -1.778 -19.661 1.00 0.00 C ATOM 841 O ALA C 62 2.735 -0.756 -20.047 1.00 0.00 O ATOM 842 CB ALA C 62 2.009 -3.265 -18.092 1.00 0.00 C ATOM 0 H ALA C 62 2.312 -0.290 -17.834 1.00 0.00 H new ATOM 0 HA ALA C 62 4.065 -2.667 -17.864 1.00 0.00 H new ATOM 0 HB1 ALA C 62 2.251 -4.127 -18.713 1.00 0.00 H new ATOM 0 HB2 ALA C 62 1.908 -3.583 -17.054 1.00 0.00 H new ATOM 0 HB3 ALA C 62 1.070 -2.826 -18.430 1.00 0.00 H new ATOM 848 N PRO C 63 3.980 -2.563 -20.428 1.00 0.00 N ATOM 849 CA PRO C 63 4.207 -2.270 -21.853 1.00 0.00 C ATOM 850 C PRO C 63 2.872 -2.220 -22.602 1.00 0.00 C ATOM 851 O PRO C 63 1.917 -2.873 -22.232 1.00 0.00 O ATOM 852 CB PRO C 63 5.070 -3.431 -22.362 1.00 0.00 C ATOM 853 CG PRO C 63 5.318 -4.391 -21.169 1.00 0.00 C ATOM 854 CD PRO C 63 4.610 -3.802 -19.939 1.00 0.00 C ATOM 0 HA PRO C 63 4.691 -1.305 -22.006 1.00 0.00 H new ATOM 0 HB2 PRO C 63 4.567 -3.954 -23.176 1.00 0.00 H new ATOM 0 HB3 PRO C 63 6.016 -3.060 -22.758 1.00 0.00 H new ATOM 0 HG2 PRO C 63 4.932 -5.386 -21.392 1.00 0.00 H new ATOM 0 HG3 PRO C 63 6.386 -4.498 -20.980 1.00 0.00 H new ATOM 0 HD2 PRO C 63 3.867 -4.493 -19.541 1.00 0.00 H new ATOM 0 HD3 PRO C 63 5.317 -3.596 -19.136 1.00 0.00 H new ATOM 862 N SER C 64 2.800 -1.450 -23.653 1.00 0.00 N ATOM 863 CA SER C 64 1.527 -1.358 -24.424 1.00 0.00 C ATOM 864 C SER C 64 1.811 -0.765 -25.806 1.00 0.00 C ATOM 865 O SER C 64 0.857 -0.438 -26.495 1.00 0.00 O ATOM 866 CB SER C 64 0.541 -0.460 -23.676 1.00 0.00 C ATOM 867 OG SER C 64 1.058 0.863 -23.615 1.00 0.00 O ATOM 868 OXT SER C 64 2.975 -0.650 -26.152 1.00 0.00 O ATOM 0 H SER C 64 3.567 -0.881 -24.011 1.00 0.00 H new ATOM 0 HA SER C 64 1.097 -2.353 -24.537 1.00 0.00 H new ATOM 0 HB2 SER C 64 -0.425 -0.462 -24.182 1.00 0.00 H new ATOM 0 HB3 SER C 64 0.374 -0.844 -22.669 1.00 0.00 H new ATOM 0 HG SER C 64 2.017 0.849 -23.818 1.00 0.00 H new ATOM 875 N ARG R 71 14.077 2.978 -1.728 1.00 0.00 N ATOM 876 CA ARG R 71 13.021 3.073 -2.776 1.00 0.00 C ATOM 877 C ARG R 71 12.098 1.856 -2.683 1.00 0.00 C ATOM 878 O ARG R 71 12.137 0.972 -3.514 1.00 0.00 O ATOM 879 CB ARG R 71 13.675 3.110 -4.158 1.00 0.00 C ATOM 880 CG ARG R 71 13.212 4.359 -4.908 1.00 0.00 C ATOM 881 CD ARG R 71 14.179 5.511 -4.626 1.00 0.00 C ATOM 882 NE ARG R 71 13.886 6.642 -5.550 1.00 0.00 N ATOM 883 CZ ARG R 71 12.869 7.429 -5.321 1.00 0.00 C ATOM 884 NH1 ARG R 71 12.103 7.228 -4.283 1.00 0.00 N ATOM 885 NH2 ARG R 71 12.616 8.419 -6.134 1.00 0.00 N ATOM 0 HA ARG R 71 12.440 3.983 -2.624 1.00 0.00 H new ATOM 0 HB2 ARG R 71 14.760 3.114 -4.058 1.00 0.00 H new ATOM 0 HB3 ARG R 71 13.410 2.215 -4.721 1.00 0.00 H new ATOM 0 HG2 ARG R 71 13.170 4.159 -5.979 1.00 0.00 H new ATOM 0 HG3 ARG R 71 12.204 4.631 -4.595 1.00 0.00 H new ATOM 0 HD2 ARG R 71 14.080 5.838 -3.591 1.00 0.00 H new ATOM 0 HD3 ARG R 71 15.208 5.177 -4.758 1.00 0.00 H new ATOM 0 HE ARG R 71 14.481 6.802 -6.363 1.00 0.00 H new ATOM 0 HH11 ARG R 71 12.298 6.454 -3.648 1.00 0.00 H new ATOM 0 HH12 ARG R 71 11.310 7.845 -4.107 1.00 0.00 H new ATOM 0 HH21 ARG R 71 13.212 8.577 -6.946 1.00 0.00 H new ATOM 0 HH22 ARG R 71 11.822 9.034 -5.957 1.00 0.00 H new ATOM 901 N ALA R 72 11.269 1.803 -1.677 1.00 0.00 N ATOM 902 CA ALA R 72 10.347 0.642 -1.533 1.00 0.00 C ATOM 903 C ALA R 72 9.128 0.839 -2.438 1.00 0.00 C ATOM 904 O ALA R 72 8.633 1.937 -2.598 1.00 0.00 O ATOM 905 CB ALA R 72 9.889 0.534 -0.077 1.00 0.00 C ATOM 0 H ALA R 72 11.190 2.513 -0.949 1.00 0.00 H new ATOM 0 HA ALA R 72 10.867 -0.272 -1.821 1.00 0.00 H new ATOM 0 HB1 ALA R 72 9.214 -0.315 0.030 1.00 0.00 H new ATOM 0 HB2 ALA R 72 10.756 0.392 0.568 1.00 0.00 H new ATOM 0 HB3 ALA R 72 9.370 1.448 0.210 1.00 0.00 H new ATOM 911 N LEU R 73 8.640 -0.216 -3.032 1.00 0.00 N ATOM 912 CA LEU R 73 7.454 -0.086 -3.926 1.00 0.00 C ATOM 913 C LEU R 73 6.250 0.398 -3.109 1.00 0.00 C ATOM 914 O LEU R 73 6.096 0.030 -1.961 1.00 0.00 O ATOM 915 CB LEU R 73 7.128 -1.446 -4.548 1.00 0.00 C ATOM 916 CG LEU R 73 8.372 -2.004 -5.239 1.00 0.00 C ATOM 917 CD1 LEU R 73 7.982 -3.218 -6.086 1.00 0.00 C ATOM 918 CD2 LEU R 73 8.981 -0.926 -6.138 1.00 0.00 C ATOM 0 H LEU R 73 9.011 -1.161 -2.937 1.00 0.00 H new ATOM 0 HA LEU R 73 7.674 0.632 -4.716 1.00 0.00 H new ATOM 0 HB2 LEU R 73 6.786 -2.137 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU R 73 6.315 -1.343 -5.267 1.00 0.00 H new ATOM 0 HG LEU R 73 9.103 -2.305 -4.488 1.00 0.00 H new ATOM 0 HD11 LEU R 73 8.868 -3.617 -6.580 1.00 0.00 H new ATOM 0 HD12 LEU R 73 7.548 -3.985 -5.445 1.00 0.00 H new ATOM 0 HD13 LEU R 73 7.252 -2.918 -6.838 1.00 0.00 H new ATOM 0 HD21 LEU R 73 9.868 -1.322 -6.632 1.00 0.00 H new ATOM 0 HD22 LEU R 73 8.252 -0.625 -6.890 1.00 0.00 H new ATOM 0 HD23 LEU R 73 9.257 -0.062 -5.534 1.00 0.00 H new ATOM 930 N PRO R 74 5.430 1.212 -3.728 1.00 0.00 N ATOM 931 CA PRO R 74 4.229 1.761 -3.074 1.00 0.00 C ATOM 932 C PRO R 74 3.245 0.633 -2.738 1.00 0.00 C ATOM 933 O PRO R 74 3.179 -0.357 -3.439 1.00 0.00 O ATOM 934 CB PRO R 74 3.620 2.712 -4.106 1.00 0.00 C ATOM 935 CG PRO R 74 4.469 2.614 -5.400 1.00 0.00 C ATOM 936 CD PRO R 74 5.637 1.654 -5.119 1.00 0.00 C ATOM 0 HA PRO R 74 4.463 2.267 -2.137 1.00 0.00 H new ATOM 0 HB2 PRO R 74 2.583 2.443 -4.308 1.00 0.00 H new ATOM 0 HB3 PRO R 74 3.616 3.734 -3.728 1.00 0.00 H new ATOM 0 HG2 PRO R 74 3.863 2.247 -6.229 1.00 0.00 H new ATOM 0 HG3 PRO R 74 4.842 3.597 -5.688 1.00 0.00 H new ATOM 0 HD2 PRO R 74 5.630 0.810 -5.808 1.00 0.00 H new ATOM 0 HD3 PRO R 74 6.598 2.154 -5.237 1.00 0.00 H new ATOM 944 N PRO R 75 2.510 0.818 -1.671 1.00 0.00 N ATOM 945 CA PRO R 75 1.520 -0.175 -1.218 1.00 0.00 C ATOM 946 C PRO R 75 0.445 -0.373 -2.292 1.00 0.00 C ATOM 947 O PRO R 75 -0.298 0.534 -2.614 1.00 0.00 O ATOM 948 CB PRO R 75 0.909 0.429 0.054 1.00 0.00 C ATOM 949 CG PRO R 75 1.580 1.808 0.289 1.00 0.00 C ATOM 950 CD PRO R 75 2.608 2.027 -0.832 1.00 0.00 C ATOM 0 HA PRO R 75 1.965 -1.152 -1.031 1.00 0.00 H new ATOM 0 HB2 PRO R 75 -0.170 0.542 -0.056 1.00 0.00 H new ATOM 0 HB3 PRO R 75 1.075 -0.228 0.908 1.00 0.00 H new ATOM 0 HG2 PRO R 75 0.833 2.602 0.283 1.00 0.00 H new ATOM 0 HG3 PRO R 75 2.066 1.835 1.264 1.00 0.00 H new ATOM 0 HD2 PRO R 75 2.383 2.926 -1.405 1.00 0.00 H new ATOM 0 HD3 PRO R 75 3.613 2.149 -0.429 1.00 0.00 H new ATOM 958 N LEU R 76 0.358 -1.550 -2.847 1.00 0.00 N ATOM 959 CA LEU R 76 -0.668 -1.805 -3.898 1.00 0.00 C ATOM 960 C LEU R 76 -2.006 -1.191 -3.471 1.00 0.00 C ATOM 961 O LEU R 76 -2.293 -1.095 -2.294 1.00 0.00 O ATOM 962 CB LEU R 76 -0.839 -3.314 -4.088 1.00 0.00 C ATOM 963 CG LEU R 76 0.225 -3.830 -5.058 1.00 0.00 C ATOM 964 CD1 LEU R 76 0.215 -5.359 -5.061 1.00 0.00 C ATOM 965 CD2 LEU R 76 -0.076 -3.315 -6.467 1.00 0.00 C ATOM 0 H LEU R 76 0.953 -2.347 -2.619 1.00 0.00 H new ATOM 0 HA LEU R 76 -0.345 -1.353 -4.836 1.00 0.00 H new ATOM 0 HB2 LEU R 76 -0.750 -3.824 -3.129 1.00 0.00 H new ATOM 0 HB3 LEU R 76 -1.835 -3.532 -4.474 1.00 0.00 H new ATOM 0 HG LEU R 76 1.206 -3.474 -4.743 1.00 0.00 H new ATOM 0 HD11 LEU R 76 0.973 -5.726 -5.752 1.00 0.00 H new ATOM 0 HD12 LEU R 76 0.430 -5.726 -4.058 1.00 0.00 H new ATOM 0 HD13 LEU R 76 -0.766 -5.716 -5.375 1.00 0.00 H new ATOM 0 HD21 LEU R 76 0.682 -3.683 -7.158 1.00 0.00 H new ATOM 0 HD22 LEU R 76 -1.057 -3.670 -6.782 1.00 0.00 H new ATOM 0 HD23 LEU R 76 -0.068 -2.225 -6.465 1.00 0.00 H new