USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=18 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 18 SER OG : rot -166:sc= 0.0453 USER MOD Set 1.2: C 25 SER OG : rot 180:sc= 0.106 USER MOD Single : C 9 THR OG1 : rot 26:sc= 0.834 USER MOD Single : C 14 TYR OH : rot 180:sc= 0 USER MOD Single : C 16 TYR OH : rot 115:sc= 0.704 USER MOD Single : C 20 THR OG1 : rot 148:sc= 1.41 USER MOD Single : C 22 THR OG1 : rot 180:sc= 0 USER MOD Single : C 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 28 LYS NZ :NH3+ -155:sc= -0.764 (180deg=-1.78) USER MOD Single : C 33 GLN : amide:sc= -1.03 K(o=-1,f=-0.27) USER MOD Single : C 36 ASN : amide:sc= -0.441 K(o=-0.44,f=-3.7!) USER MOD Single : C 37 ASN : amide:sc= -1.38 K(o=-1.4,f=-4!) USER MOD Single : C 38 THR OG1 : rot 180:sc= -1.67 USER MOD Single : C 46 HIS : no HE2:sc= -22.3! C(o=-22!,f=-25!) USER MOD Single : C 47 SER OG : rot 170:sc= -4.12! USER MOD Single : C 49 THR OG1 : rot 180:sc=-0.00338 USER MOD Single : C 50 THR OG1 : rot 180:sc= 0 USER MOD Single : C 52 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : C 53 THR OG1 : rot 16:sc= 1.17 USER MOD Single : C 55 TYR OH : rot 180:sc= 0 USER MOD Single : C 58 SER OG : rot -84:sc= 0.734 USER MOD Single : C 59 ASN : amide:sc= -3.89! K(o=-3.9!,f=-0.031) USER MOD Single : C 60 TYR OH : rot -0:sc= -1.93! USER MOD Single : C 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR C 9 5.003 2.726 -25.582 1.00 0.00 N ATOM 2 CA THR C 9 3.993 3.495 -24.804 1.00 0.00 C ATOM 3 C THR C 9 3.534 2.663 -23.603 1.00 0.00 C ATOM 4 O THR C 9 2.970 1.598 -23.753 1.00 0.00 O ATOM 5 CB THR C 9 2.790 3.808 -25.698 1.00 0.00 C ATOM 6 OG1 THR C 9 3.141 3.576 -27.055 1.00 0.00 O ATOM 7 CG2 THR C 9 2.383 5.270 -25.516 1.00 0.00 C ATOM 0 HA THR C 9 4.436 4.427 -24.453 1.00 0.00 H new ATOM 0 HB THR C 9 1.954 3.165 -25.423 1.00 0.00 H new ATOM 0 HG1 THR C 9 3.866 2.918 -27.097 1.00 0.00 H new ATOM 0 HG21 THR C 9 1.527 5.491 -26.153 1.00 0.00 H new ATOM 0 HG22 THR C 9 2.115 5.446 -24.474 1.00 0.00 H new ATOM 0 HG23 THR C 9 3.216 5.917 -25.791 1.00 0.00 H new ATOM 14 N PHE C 10 3.771 3.142 -22.411 1.00 0.00 N ATOM 15 CA PHE C 10 3.346 2.377 -21.206 1.00 0.00 C ATOM 16 C PHE C 10 2.101 3.029 -20.599 1.00 0.00 C ATOM 17 O PHE C 10 1.673 4.088 -21.023 1.00 0.00 O ATOM 18 CB PHE C 10 4.481 2.365 -20.183 1.00 0.00 C ATOM 19 CG PHE C 10 5.391 1.164 -20.456 1.00 0.00 C ATOM 20 CD1 PHE C 10 6.272 1.182 -21.522 1.00 0.00 C ATOM 21 CD2 PHE C 10 5.340 0.046 -19.645 1.00 0.00 C ATOM 22 CE1 PHE C 10 7.088 0.098 -21.772 1.00 0.00 C ATOM 23 CE2 PHE C 10 6.157 -1.038 -19.897 1.00 0.00 C ATOM 24 CZ PHE C 10 7.030 -1.012 -20.960 1.00 0.00 C ATOM 0 H PHE C 10 4.239 4.028 -22.221 1.00 0.00 H new ATOM 0 HA PHE C 10 3.109 1.351 -21.489 1.00 0.00 H new ATOM 0 HB2 PHE C 10 5.052 3.291 -20.245 1.00 0.00 H new ATOM 0 HB3 PHE C 10 4.076 2.307 -19.173 1.00 0.00 H new ATOM 0 HD1 PHE C 10 6.321 2.050 -22.163 1.00 0.00 H new ATOM 0 HD2 PHE C 10 4.657 0.020 -18.809 1.00 0.00 H new ATOM 0 HE1 PHE C 10 7.773 0.120 -22.606 1.00 0.00 H new ATOM 0 HE2 PHE C 10 6.111 -1.908 -19.259 1.00 0.00 H new ATOM 0 HZ PHE C 10 7.668 -1.861 -21.157 1.00 0.00 H new ATOM 34 N VAL C 11 1.526 2.422 -19.594 1.00 0.00 N ATOM 35 CA VAL C 11 0.309 3.016 -18.972 1.00 0.00 C ATOM 36 C VAL C 11 0.278 2.683 -17.482 1.00 0.00 C ATOM 37 O VAL C 11 0.815 1.685 -17.047 1.00 0.00 O ATOM 38 CB VAL C 11 -0.940 2.444 -19.646 1.00 0.00 C ATOM 39 CG1 VAL C 11 -2.087 3.450 -19.532 1.00 0.00 C ATOM 40 CG2 VAL C 11 -0.647 2.173 -21.123 1.00 0.00 C ATOM 0 H VAL C 11 1.845 1.546 -19.180 1.00 0.00 H new ATOM 0 HA VAL C 11 0.331 4.098 -19.101 1.00 0.00 H new ATOM 0 HB VAL C 11 -1.221 1.512 -19.155 1.00 0.00 H new ATOM 0 HG11 VAL C 11 -2.977 3.043 -20.012 1.00 0.00 H new ATOM 0 HG12 VAL C 11 -2.298 3.643 -18.480 1.00 0.00 H new ATOM 0 HG13 VAL C 11 -1.804 4.381 -20.022 1.00 0.00 H new ATOM 0 HG21 VAL C 11 -1.537 1.766 -21.602 1.00 0.00 H new ATOM 0 HG22 VAL C 11 -0.364 3.104 -21.615 1.00 0.00 H new ATOM 0 HG23 VAL C 11 0.170 1.456 -21.206 1.00 0.00 H new ATOM 50 N ALA C 12 -0.359 3.508 -16.699 1.00 0.00 N ATOM 51 CA ALA C 12 -0.429 3.247 -15.236 1.00 0.00 C ATOM 52 C ALA C 12 -1.613 2.330 -14.919 1.00 0.00 C ATOM 53 O ALA C 12 -2.727 2.779 -14.740 1.00 0.00 O ATOM 54 CB ALA C 12 -0.610 4.573 -14.499 1.00 0.00 C ATOM 0 H ALA C 12 -0.835 4.354 -17.011 1.00 0.00 H new ATOM 0 HA ALA C 12 0.493 2.762 -14.915 1.00 0.00 H new ATOM 0 HB1 ALA C 12 -0.662 4.389 -13.426 1.00 0.00 H new ATOM 0 HB2 ALA C 12 0.235 5.227 -14.714 1.00 0.00 H new ATOM 0 HB3 ALA C 12 -1.532 5.050 -14.830 1.00 0.00 H new ATOM 60 N LEU C 13 -1.381 1.047 -14.850 1.00 0.00 N ATOM 61 CA LEU C 13 -2.495 0.106 -14.544 1.00 0.00 C ATOM 62 C LEU C 13 -3.148 0.506 -13.222 1.00 0.00 C ATOM 63 O LEU C 13 -4.345 0.695 -13.140 1.00 0.00 O ATOM 64 CB LEU C 13 -1.946 -1.315 -14.411 1.00 0.00 C ATOM 65 CG LEU C 13 -1.193 -1.700 -15.683 1.00 0.00 C ATOM 66 CD1 LEU C 13 -0.467 -3.028 -15.454 1.00 0.00 C ATOM 67 CD2 LEU C 13 -2.185 -1.852 -16.837 1.00 0.00 C ATOM 0 H LEU C 13 -0.470 0.611 -14.992 1.00 0.00 H new ATOM 0 HA LEU C 13 -3.228 0.145 -15.350 1.00 0.00 H new ATOM 0 HB2 LEU C 13 -1.280 -1.378 -13.550 1.00 0.00 H new ATOM 0 HB3 LEU C 13 -2.763 -2.015 -14.235 1.00 0.00 H new ATOM 0 HG LEU C 13 -0.469 -0.924 -15.930 1.00 0.00 H new ATOM 0 HD11 LEU C 13 0.073 -3.308 -16.359 1.00 0.00 H new ATOM 0 HD12 LEU C 13 0.238 -2.920 -14.630 1.00 0.00 H new ATOM 0 HD13 LEU C 13 -1.194 -3.803 -15.210 1.00 0.00 H new ATOM 0 HD21 LEU C 13 -1.648 -2.127 -17.745 1.00 0.00 H new ATOM 0 HD22 LEU C 13 -2.909 -2.630 -16.594 1.00 0.00 H new ATOM 0 HD23 LEU C 13 -2.706 -0.908 -16.996 1.00 0.00 H new ATOM 79 N TYR C 14 -2.365 0.639 -12.185 1.00 0.00 N ATOM 80 CA TYR C 14 -2.936 1.024 -10.864 1.00 0.00 C ATOM 81 C TYR C 14 -2.668 2.506 -10.600 1.00 0.00 C ATOM 82 O TYR C 14 -1.668 3.052 -11.023 1.00 0.00 O ATOM 83 CB TYR C 14 -2.287 0.181 -9.758 1.00 0.00 C ATOM 84 CG TYR C 14 -2.045 -1.248 -10.262 1.00 0.00 C ATOM 85 CD1 TYR C 14 -2.811 -1.778 -11.280 1.00 0.00 C ATOM 86 CD2 TYR C 14 -1.042 -2.020 -9.711 1.00 0.00 C ATOM 87 CE1 TYR C 14 -2.576 -3.055 -11.745 1.00 0.00 C ATOM 88 CE2 TYR C 14 -0.809 -3.299 -10.172 1.00 0.00 C ATOM 89 CZ TYR C 14 -1.573 -3.826 -11.194 1.00 0.00 C ATOM 90 OH TYR C 14 -1.340 -5.106 -11.655 1.00 0.00 O ATOM 0 H TYR C 14 -1.355 0.497 -12.197 1.00 0.00 H new ATOM 0 HA TYR C 14 -4.012 0.847 -10.871 1.00 0.00 H new ATOM 0 HB2 TYR C 14 -1.343 0.632 -9.452 1.00 0.00 H new ATOM 0 HB3 TYR C 14 -2.931 0.161 -8.879 1.00 0.00 H new ATOM 0 HD1 TYR C 14 -3.602 -1.187 -11.717 1.00 0.00 H new ATOM 0 HD2 TYR C 14 -0.435 -1.619 -8.913 1.00 0.00 H new ATOM 0 HE1 TYR C 14 -3.181 -3.454 -12.546 1.00 0.00 H new ATOM 0 HE2 TYR C 14 -0.023 -3.893 -9.730 1.00 0.00 H new ATOM 0 HH TYR C 14 -0.597 -5.503 -11.155 1.00 0.00 H new ATOM 100 N ASP C 15 -3.555 3.163 -9.902 1.00 0.00 N ATOM 101 CA ASP C 15 -3.353 4.610 -9.611 1.00 0.00 C ATOM 102 C ASP C 15 -2.099 4.785 -8.753 1.00 0.00 C ATOM 103 O ASP C 15 -1.780 3.958 -7.924 1.00 0.00 O ATOM 104 CB ASP C 15 -4.568 5.155 -8.857 1.00 0.00 C ATOM 105 CG ASP C 15 -5.821 4.980 -9.716 1.00 0.00 C ATOM 106 OD1 ASP C 15 -5.753 4.242 -10.685 1.00 0.00 O ATOM 107 OD2 ASP C 15 -6.827 5.589 -9.393 1.00 0.00 O ATOM 0 H ASP C 15 -4.411 2.759 -9.521 1.00 0.00 H new ATOM 0 HA ASP C 15 -3.233 5.156 -10.547 1.00 0.00 H new ATOM 0 HB2 ASP C 15 -4.687 4.630 -7.910 1.00 0.00 H new ATOM 0 HB3 ASP C 15 -4.420 6.209 -8.621 1.00 0.00 H new ATOM 112 N TYR C 16 -1.384 5.859 -8.948 1.00 0.00 N ATOM 113 CA TYR C 16 -0.151 6.091 -8.147 1.00 0.00 C ATOM 114 C TYR C 16 -0.247 7.444 -7.439 1.00 0.00 C ATOM 115 O TYR C 16 -0.073 8.484 -8.042 1.00 0.00 O ATOM 116 CB TYR C 16 1.061 6.085 -9.076 1.00 0.00 C ATOM 117 CG TYR C 16 2.331 6.378 -8.274 1.00 0.00 C ATOM 118 CD1 TYR C 16 2.496 5.854 -7.008 1.00 0.00 C ATOM 119 CD2 TYR C 16 3.329 7.168 -8.807 1.00 0.00 C ATOM 120 CE1 TYR C 16 3.644 6.114 -6.287 1.00 0.00 C ATOM 121 CE2 TYR C 16 4.476 7.429 -8.087 1.00 0.00 C ATOM 122 CZ TYR C 16 4.643 6.905 -6.820 1.00 0.00 C ATOM 123 OH TYR C 16 5.790 7.166 -6.099 1.00 0.00 O ATOM 0 H TYR C 16 -1.602 6.587 -9.629 1.00 0.00 H new ATOM 0 HA TYR C 16 -0.045 5.302 -7.402 1.00 0.00 H new ATOM 0 HB2 TYR C 16 1.147 5.117 -9.570 1.00 0.00 H new ATOM 0 HB3 TYR C 16 0.934 6.832 -9.859 1.00 0.00 H new ATOM 0 HD1 TYR C 16 1.721 5.236 -6.578 1.00 0.00 H new ATOM 0 HD2 TYR C 16 3.211 7.585 -9.796 1.00 0.00 H new ATOM 0 HE1 TYR C 16 3.762 5.696 -5.298 1.00 0.00 H new ATOM 0 HE2 TYR C 16 5.250 8.048 -8.517 1.00 0.00 H new ATOM 0 HH TYR C 16 6.561 6.769 -6.556 1.00 0.00 H new ATOM 133 N GLU C 17 -0.523 7.435 -6.164 1.00 0.00 N ATOM 134 CA GLU C 17 -0.632 8.718 -5.414 1.00 0.00 C ATOM 135 C GLU C 17 0.735 9.085 -4.835 1.00 0.00 C ATOM 136 O GLU C 17 0.873 9.331 -3.653 1.00 0.00 O ATOM 137 CB GLU C 17 -1.641 8.557 -4.275 1.00 0.00 C ATOM 138 CG GLU C 17 -2.466 9.839 -4.141 1.00 0.00 C ATOM 139 CD GLU C 17 -3.434 9.699 -2.965 1.00 0.00 C ATOM 140 OE1 GLU C 17 -3.603 8.588 -2.491 1.00 0.00 O ATOM 141 OE2 GLU C 17 -3.990 10.707 -2.558 1.00 0.00 O ATOM 0 H GLU C 17 -0.678 6.594 -5.609 1.00 0.00 H new ATOM 0 HA GLU C 17 -0.966 9.507 -6.087 1.00 0.00 H new ATOM 0 HB2 GLU C 17 -2.296 7.709 -4.472 1.00 0.00 H new ATOM 0 HB3 GLU C 17 -1.121 8.347 -3.341 1.00 0.00 H new ATOM 0 HG2 GLU C 17 -1.808 10.694 -3.985 1.00 0.00 H new ATOM 0 HG3 GLU C 17 -3.019 10.027 -5.061 1.00 0.00 H new ATOM 148 N SER C 18 1.749 9.121 -5.657 1.00 0.00 N ATOM 149 CA SER C 18 3.106 9.473 -5.153 1.00 0.00 C ATOM 150 C SER C 18 3.001 10.663 -4.197 1.00 0.00 C ATOM 151 O SER C 18 2.332 11.637 -4.476 1.00 0.00 O ATOM 152 CB SER C 18 4.009 9.843 -6.332 1.00 0.00 C ATOM 153 OG SER C 18 4.083 11.257 -6.448 1.00 0.00 O ATOM 0 H SER C 18 1.695 8.922 -6.656 1.00 0.00 H new ATOM 0 HA SER C 18 3.531 8.619 -4.625 1.00 0.00 H new ATOM 0 HB2 SER C 18 5.006 9.427 -6.185 1.00 0.00 H new ATOM 0 HB3 SER C 18 3.617 9.412 -7.253 1.00 0.00 H new ATOM 0 HG SER C 18 4.468 11.494 -7.318 1.00 0.00 H new ATOM 159 N ARG C 19 3.656 10.593 -3.070 1.00 0.00 N ATOM 160 CA ARG C 19 3.590 11.723 -2.100 1.00 0.00 C ATOM 161 C ARG C 19 4.832 12.602 -2.255 1.00 0.00 C ATOM 162 O ARG C 19 4.846 13.750 -1.853 1.00 0.00 O ATOM 163 CB ARG C 19 3.530 11.170 -0.675 1.00 0.00 C ATOM 164 CG ARG C 19 2.089 10.781 -0.340 1.00 0.00 C ATOM 165 CD ARG C 19 2.049 9.324 0.129 1.00 0.00 C ATOM 166 NE ARG C 19 2.341 9.264 1.589 1.00 0.00 N ATOM 167 CZ ARG C 19 2.708 8.136 2.139 1.00 0.00 C ATOM 168 NH1 ARG C 19 2.820 7.057 1.414 1.00 0.00 N ATOM 169 NH2 ARG C 19 2.964 8.091 3.419 1.00 0.00 N ATOM 0 H ARG C 19 4.233 9.804 -2.779 1.00 0.00 H new ATOM 0 HA ARG C 19 2.698 12.318 -2.296 1.00 0.00 H new ATOM 0 HB2 ARG C 19 4.183 10.302 -0.582 1.00 0.00 H new ATOM 0 HB3 ARG C 19 3.890 11.917 0.032 1.00 0.00 H new ATOM 0 HG2 ARG C 19 1.696 11.435 0.438 1.00 0.00 H new ATOM 0 HG3 ARG C 19 1.453 10.910 -1.216 1.00 0.00 H new ATOM 0 HD2 ARG C 19 1.069 8.892 -0.075 1.00 0.00 H new ATOM 0 HD3 ARG C 19 2.779 8.733 -0.423 1.00 0.00 H new ATOM 0 HE ARG C 19 2.254 10.104 2.160 1.00 0.00 H new ATOM 0 HH11 ARG C 19 2.621 7.091 0.414 1.00 0.00 H new ATOM 0 HH12 ARG C 19 3.107 6.179 1.847 1.00 0.00 H new ATOM 0 HH21 ARG C 19 2.877 8.934 3.986 1.00 0.00 H new ATOM 0 HH22 ARG C 19 3.251 7.213 3.851 1.00 0.00 H new ATOM 183 N THR C 20 5.876 12.076 -2.834 1.00 0.00 N ATOM 184 CA THR C 20 7.116 12.883 -3.013 1.00 0.00 C ATOM 185 C THR C 20 6.831 14.053 -3.956 1.00 0.00 C ATOM 186 O THR C 20 5.911 14.013 -4.748 1.00 0.00 O ATOM 187 CB THR C 20 8.215 12.003 -3.612 1.00 0.00 C ATOM 188 OG1 THR C 20 7.625 10.873 -4.238 1.00 0.00 O ATOM 189 CG2 THR C 20 9.163 11.540 -2.506 1.00 0.00 C ATOM 0 H THR C 20 5.924 11.122 -3.191 1.00 0.00 H new ATOM 0 HA THR C 20 7.443 13.266 -2.046 1.00 0.00 H new ATOM 0 HB THR C 20 8.777 12.576 -4.350 1.00 0.00 H new ATOM 0 HG1 THR C 20 8.173 10.599 -5.003 1.00 0.00 H new ATOM 0 HG21 THR C 20 9.945 10.913 -2.935 1.00 0.00 H new ATOM 0 HG22 THR C 20 9.616 12.409 -2.028 1.00 0.00 H new ATOM 0 HG23 THR C 20 8.605 10.967 -1.765 1.00 0.00 H new ATOM 197 N GLU C 21 7.612 15.095 -3.876 1.00 0.00 N ATOM 198 CA GLU C 21 7.386 16.266 -4.768 1.00 0.00 C ATOM 199 C GLU C 21 8.192 16.083 -6.056 1.00 0.00 C ATOM 200 O GLU C 21 8.802 17.007 -6.555 1.00 0.00 O ATOM 201 CB GLU C 21 7.837 17.543 -4.056 1.00 0.00 C ATOM 202 CG GLU C 21 6.653 18.153 -3.301 1.00 0.00 C ATOM 203 CD GLU C 21 5.551 18.526 -4.296 1.00 0.00 C ATOM 204 OE1 GLU C 21 5.854 18.638 -5.472 1.00 0.00 O ATOM 205 OE2 GLU C 21 4.422 18.692 -3.864 1.00 0.00 O ATOM 0 H GLU C 21 8.397 15.186 -3.231 1.00 0.00 H new ATOM 0 HA GLU C 21 6.326 16.344 -5.010 1.00 0.00 H new ATOM 0 HB2 GLU C 21 8.647 17.318 -3.362 1.00 0.00 H new ATOM 0 HB3 GLU C 21 8.227 18.258 -4.781 1.00 0.00 H new ATOM 0 HG2 GLU C 21 6.271 17.443 -2.568 1.00 0.00 H new ATOM 0 HG3 GLU C 21 6.975 19.037 -2.751 1.00 0.00 H new ATOM 212 N THR C 22 8.200 14.893 -6.595 1.00 0.00 N ATOM 213 CA THR C 22 8.964 14.647 -7.850 1.00 0.00 C ATOM 214 C THR C 22 8.159 13.718 -8.761 1.00 0.00 C ATOM 215 O THR C 22 7.599 14.140 -9.753 1.00 0.00 O ATOM 216 CB THR C 22 10.304 13.989 -7.508 1.00 0.00 C ATOM 217 OG1 THR C 22 10.444 13.912 -6.096 1.00 0.00 O ATOM 218 CG2 THR C 22 11.447 14.821 -8.091 1.00 0.00 C ATOM 0 H THR C 22 7.710 14.081 -6.219 1.00 0.00 H new ATOM 0 HA THR C 22 9.142 15.593 -8.361 1.00 0.00 H new ATOM 0 HB THR C 22 10.336 12.986 -7.933 1.00 0.00 H new ATOM 0 HG1 THR C 22 11.300 13.490 -5.875 1.00 0.00 H new ATOM 0 HG21 THR C 22 12.400 14.352 -7.847 1.00 0.00 H new ATOM 0 HG22 THR C 22 11.338 14.880 -9.174 1.00 0.00 H new ATOM 0 HG23 THR C 22 11.418 15.825 -7.668 1.00 0.00 H new ATOM 226 N ASP C 23 8.097 12.455 -8.433 1.00 0.00 N ATOM 227 CA ASP C 23 7.328 11.500 -9.280 1.00 0.00 C ATOM 228 C ASP C 23 5.994 12.135 -9.676 1.00 0.00 C ATOM 229 O ASP C 23 5.380 12.845 -8.904 1.00 0.00 O ATOM 230 CB ASP C 23 7.066 10.214 -8.493 1.00 0.00 C ATOM 231 CG ASP C 23 8.335 9.809 -7.741 1.00 0.00 C ATOM 232 OD1 ASP C 23 9.247 9.314 -8.381 1.00 0.00 O ATOM 233 OD2 ASP C 23 8.373 10.000 -6.536 1.00 0.00 O ATOM 0 H ASP C 23 8.546 12.044 -7.615 1.00 0.00 H new ATOM 0 HA ASP C 23 7.902 11.265 -10.176 1.00 0.00 H new ATOM 0 HB2 ASP C 23 6.247 10.366 -7.790 1.00 0.00 H new ATOM 0 HB3 ASP C 23 6.761 9.416 -9.170 1.00 0.00 H new ATOM 238 N LEU C 24 5.539 11.888 -10.873 1.00 0.00 N ATOM 239 CA LEU C 24 4.245 12.480 -11.315 1.00 0.00 C ATOM 240 C LEU C 24 3.098 11.531 -10.973 1.00 0.00 C ATOM 241 O LEU C 24 2.730 10.680 -11.758 1.00 0.00 O ATOM 242 CB LEU C 24 4.278 12.709 -12.827 1.00 0.00 C ATOM 243 CG LEU C 24 5.187 13.899 -13.142 1.00 0.00 C ATOM 244 CD1 LEU C 24 5.332 14.043 -14.658 1.00 0.00 C ATOM 245 CD2 LEU C 24 4.574 15.176 -12.565 1.00 0.00 C ATOM 0 H LEU C 24 6.007 11.302 -11.564 1.00 0.00 H new ATOM 0 HA LEU C 24 4.093 13.430 -10.803 1.00 0.00 H new ATOM 0 HB2 LEU C 24 4.642 11.815 -13.333 1.00 0.00 H new ATOM 0 HB3 LEU C 24 3.271 12.898 -13.199 1.00 0.00 H new ATOM 0 HG LEU C 24 6.168 13.734 -12.697 1.00 0.00 H new ATOM 0 HD11 LEU C 24 5.979 14.891 -14.883 1.00 0.00 H new ATOM 0 HD12 LEU C 24 5.769 13.133 -15.070 1.00 0.00 H new ATOM 0 HD13 LEU C 24 4.351 14.208 -15.103 1.00 0.00 H new ATOM 0 HD21 LEU C 24 5.221 16.024 -12.789 1.00 0.00 H new ATOM 0 HD22 LEU C 24 3.592 15.341 -13.009 1.00 0.00 H new ATOM 0 HD23 LEU C 24 4.471 15.074 -11.485 1.00 0.00 H new ATOM 257 N SER C 25 2.528 11.666 -9.808 1.00 0.00 N ATOM 258 CA SER C 25 1.403 10.766 -9.424 1.00 0.00 C ATOM 259 C SER C 25 0.437 10.651 -10.604 1.00 0.00 C ATOM 260 O SER C 25 0.133 11.625 -11.264 1.00 0.00 O ATOM 261 CB SER C 25 0.664 11.342 -8.213 1.00 0.00 C ATOM 262 OG SER C 25 1.309 12.532 -7.783 1.00 0.00 O ATOM 0 H SER C 25 2.791 12.358 -9.107 1.00 0.00 H new ATOM 0 HA SER C 25 1.794 9.782 -9.165 1.00 0.00 H new ATOM 0 HB2 SER C 25 -0.373 11.552 -8.474 1.00 0.00 H new ATOM 0 HB3 SER C 25 0.648 10.612 -7.403 1.00 0.00 H new ATOM 0 HG SER C 25 0.834 12.900 -7.009 1.00 0.00 H new ATOM 268 N PHE C 26 -0.051 9.473 -10.878 1.00 0.00 N ATOM 269 CA PHE C 26 -0.996 9.313 -12.019 1.00 0.00 C ATOM 270 C PHE C 26 -2.224 8.519 -11.571 1.00 0.00 C ATOM 271 O PHE C 26 -2.432 8.290 -10.395 1.00 0.00 O ATOM 272 CB PHE C 26 -0.295 8.575 -13.163 1.00 0.00 C ATOM 273 CG PHE C 26 0.565 7.442 -12.602 1.00 0.00 C ATOM 274 CD1 PHE C 26 -0.001 6.214 -12.331 1.00 0.00 C ATOM 275 CD2 PHE C 26 1.920 7.622 -12.381 1.00 0.00 C ATOM 276 CE1 PHE C 26 0.771 5.177 -11.849 1.00 0.00 C ATOM 277 CE2 PHE C 26 2.693 6.584 -11.899 1.00 0.00 C ATOM 278 CZ PHE C 26 2.118 5.363 -11.634 1.00 0.00 C ATOM 0 H PHE C 26 0.162 8.618 -10.364 1.00 0.00 H new ATOM 0 HA PHE C 26 -1.314 10.297 -12.362 1.00 0.00 H new ATOM 0 HB2 PHE C 26 -1.035 8.173 -13.855 1.00 0.00 H new ATOM 0 HB3 PHE C 26 0.327 9.269 -13.728 1.00 0.00 H new ATOM 0 HD1 PHE C 26 -1.057 6.063 -12.497 1.00 0.00 H new ATOM 0 HD2 PHE C 26 2.375 8.580 -12.587 1.00 0.00 H new ATOM 0 HE1 PHE C 26 0.318 4.219 -11.640 1.00 0.00 H new ATOM 0 HE2 PHE C 26 3.750 6.731 -11.730 1.00 0.00 H new ATOM 0 HZ PHE C 26 2.723 4.551 -11.258 1.00 0.00 H new ATOM 288 N LYS C 27 -3.043 8.108 -12.498 1.00 0.00 N ATOM 289 CA LYS C 27 -4.260 7.330 -12.127 1.00 0.00 C ATOM 290 C LYS C 27 -4.439 6.161 -13.099 1.00 0.00 C ATOM 291 O LYS C 27 -3.575 5.867 -13.901 1.00 0.00 O ATOM 292 CB LYS C 27 -5.486 8.241 -12.193 1.00 0.00 C ATOM 293 CG LYS C 27 -6.243 8.174 -10.864 1.00 0.00 C ATOM 294 CD LYS C 27 -6.434 9.588 -10.316 1.00 0.00 C ATOM 295 CE LYS C 27 -7.563 10.284 -11.079 1.00 0.00 C ATOM 296 NZ LYS C 27 -8.832 10.157 -10.310 1.00 0.00 N ATOM 0 H LYS C 27 -2.923 8.277 -13.497 1.00 0.00 H new ATOM 0 HA LYS C 27 -4.148 6.943 -11.114 1.00 0.00 H new ATOM 0 HB2 LYS C 27 -5.180 9.267 -12.398 1.00 0.00 H new ATOM 0 HB3 LYS C 27 -6.137 7.933 -13.011 1.00 0.00 H new ATOM 0 HG2 LYS C 27 -7.211 7.694 -11.008 1.00 0.00 H new ATOM 0 HG3 LYS C 27 -5.690 7.566 -10.148 1.00 0.00 H new ATOM 0 HD2 LYS C 27 -6.670 9.548 -9.253 1.00 0.00 H new ATOM 0 HD3 LYS C 27 -5.509 10.156 -10.416 1.00 0.00 H new ATOM 0 HE2 LYS C 27 -7.320 11.336 -11.230 1.00 0.00 H new ATOM 0 HE3 LYS C 27 -7.678 9.838 -12.067 1.00 0.00 H new ATOM 0 HZ1 LYS C 27 -9.600 10.630 -10.828 1.00 0.00 H new ATOM 0 HZ2 LYS C 27 -9.065 9.151 -10.188 1.00 0.00 H new ATOM 0 HZ3 LYS C 27 -8.718 10.602 -9.377 1.00 0.00 H new ATOM 310 N LYS C 28 -5.558 5.493 -13.032 1.00 0.00 N ATOM 311 CA LYS C 28 -5.802 4.343 -13.949 1.00 0.00 C ATOM 312 C LYS C 28 -6.227 4.864 -15.325 1.00 0.00 C ATOM 313 O LYS C 28 -7.064 5.737 -15.438 1.00 0.00 O ATOM 314 CB LYS C 28 -6.910 3.458 -13.365 1.00 0.00 C ATOM 315 CG LYS C 28 -7.439 2.508 -14.444 1.00 0.00 C ATOM 316 CD LYS C 28 -8.794 3.009 -14.947 1.00 0.00 C ATOM 317 CE LYS C 28 -9.751 3.172 -13.763 1.00 0.00 C ATOM 318 NZ LYS C 28 -9.530 2.065 -12.791 1.00 0.00 N ATOM 0 H LYS C 28 -6.316 5.695 -12.380 1.00 0.00 H new ATOM 0 HA LYS C 28 -4.888 3.759 -14.055 1.00 0.00 H new ATOM 0 HB2 LYS C 28 -6.524 2.886 -12.521 1.00 0.00 H new ATOM 0 HB3 LYS C 28 -7.721 4.079 -12.985 1.00 0.00 H new ATOM 0 HG2 LYS C 28 -6.731 2.450 -15.271 1.00 0.00 H new ATOM 0 HG3 LYS C 28 -7.539 1.501 -14.039 1.00 0.00 H new ATOM 0 HD2 LYS C 28 -8.672 3.961 -15.464 1.00 0.00 H new ATOM 0 HD3 LYS C 28 -9.209 2.305 -15.669 1.00 0.00 H new ATOM 0 HE2 LYS C 28 -9.587 4.134 -13.278 1.00 0.00 H new ATOM 0 HE3 LYS C 28 -10.784 3.163 -14.112 1.00 0.00 H new ATOM 0 HZ1 LYS C 28 -10.397 1.911 -12.238 1.00 0.00 H new ATOM 0 HZ2 LYS C 28 -9.288 1.194 -13.306 1.00 0.00 H new ATOM 0 HZ3 LYS C 28 -8.750 2.316 -12.150 1.00 0.00 H new ATOM 332 N GLY C 29 -5.655 4.333 -16.372 1.00 0.00 N ATOM 333 CA GLY C 29 -6.025 4.794 -17.741 1.00 0.00 C ATOM 334 C GLY C 29 -5.164 5.998 -18.131 1.00 0.00 C ATOM 335 O GLY C 29 -5.318 6.562 -19.196 1.00 0.00 O ATOM 0 H GLY C 29 -4.947 3.599 -16.338 1.00 0.00 H new ATOM 0 HA2 GLY C 29 -5.883 3.986 -18.458 1.00 0.00 H new ATOM 0 HA3 GLY C 29 -7.080 5.065 -17.771 1.00 0.00 H new ATOM 339 N GLU C 30 -4.258 6.399 -17.280 1.00 0.00 N ATOM 340 CA GLU C 30 -3.393 7.566 -17.610 1.00 0.00 C ATOM 341 C GLU C 30 -2.126 7.085 -18.323 1.00 0.00 C ATOM 342 O GLU C 30 -1.268 6.461 -17.731 1.00 0.00 O ATOM 343 CB GLU C 30 -3.006 8.292 -16.320 1.00 0.00 C ATOM 344 CG GLU C 30 -2.168 9.527 -16.661 1.00 0.00 C ATOM 345 CD GLU C 30 -3.091 10.727 -16.877 1.00 0.00 C ATOM 346 OE1 GLU C 30 -4.286 10.572 -16.684 1.00 0.00 O ATOM 347 OE2 GLU C 30 -2.589 11.781 -17.231 1.00 0.00 O ATOM 0 H GLU C 30 -4.080 5.969 -16.372 1.00 0.00 H new ATOM 0 HA GLU C 30 -3.939 8.246 -18.264 1.00 0.00 H new ATOM 0 HB2 GLU C 30 -3.902 8.587 -15.773 1.00 0.00 H new ATOM 0 HB3 GLU C 30 -2.441 7.624 -15.670 1.00 0.00 H new ATOM 0 HG2 GLU C 30 -1.465 9.736 -15.855 1.00 0.00 H new ATOM 0 HG3 GLU C 30 -1.578 9.343 -17.559 1.00 0.00 H new ATOM 354 N ARG C 31 -2.002 7.368 -19.593 1.00 0.00 N ATOM 355 CA ARG C 31 -0.790 6.926 -20.338 1.00 0.00 C ATOM 356 C ARG C 31 0.402 7.773 -19.891 1.00 0.00 C ATOM 357 O ARG C 31 0.245 8.901 -19.468 1.00 0.00 O ATOM 358 CB ARG C 31 -1.015 7.117 -21.840 1.00 0.00 C ATOM 359 CG ARG C 31 -2.412 6.620 -22.216 1.00 0.00 C ATOM 360 CD ARG C 31 -3.133 7.697 -23.030 1.00 0.00 C ATOM 361 NE ARG C 31 -3.531 7.140 -24.354 1.00 0.00 N ATOM 362 CZ ARG C 31 -4.591 6.382 -24.456 1.00 0.00 C ATOM 363 NH1 ARG C 31 -5.306 6.104 -23.399 1.00 0.00 N ATOM 364 NH2 ARG C 31 -4.937 5.900 -25.619 1.00 0.00 N ATOM 0 H ARG C 31 -2.687 7.885 -20.144 1.00 0.00 H new ATOM 0 HA ARG C 31 -0.595 5.873 -20.134 1.00 0.00 H new ATOM 0 HB2 ARG C 31 -0.909 8.169 -22.103 1.00 0.00 H new ATOM 0 HB3 ARG C 31 -0.259 6.570 -22.404 1.00 0.00 H new ATOM 0 HG2 ARG C 31 -2.339 5.699 -22.795 1.00 0.00 H new ATOM 0 HG3 ARG C 31 -2.981 6.387 -21.316 1.00 0.00 H new ATOM 0 HD2 ARG C 31 -4.014 8.046 -22.491 1.00 0.00 H new ATOM 0 HD3 ARG C 31 -2.482 8.560 -23.168 1.00 0.00 H new ATOM 0 HE ARG C 31 -2.975 7.351 -25.183 1.00 0.00 H new ATOM 0 HH11 ARG C 31 -5.038 6.479 -22.489 1.00 0.00 H new ATOM 0 HH12 ARG C 31 -6.132 5.512 -23.484 1.00 0.00 H new ATOM 0 HH21 ARG C 31 -4.380 6.115 -26.446 1.00 0.00 H new ATOM 0 HH22 ARG C 31 -5.764 5.308 -25.700 1.00 0.00 H new ATOM 378 N LEU C 32 1.593 7.246 -19.977 1.00 0.00 N ATOM 379 CA LEU C 32 2.778 8.045 -19.548 1.00 0.00 C ATOM 380 C LEU C 32 3.987 7.692 -20.415 1.00 0.00 C ATOM 381 O LEU C 32 4.319 6.537 -20.590 1.00 0.00 O ATOM 382 CB LEU C 32 3.097 7.731 -18.085 1.00 0.00 C ATOM 383 CG LEU C 32 2.016 8.332 -17.186 1.00 0.00 C ATOM 384 CD1 LEU C 32 1.090 7.218 -16.693 1.00 0.00 C ATOM 385 CD2 LEU C 32 2.672 9.019 -15.988 1.00 0.00 C ATOM 0 H LEU C 32 1.797 6.308 -20.321 1.00 0.00 H new ATOM 0 HA LEU C 32 2.554 9.106 -19.659 1.00 0.00 H new ATOM 0 HB2 LEU C 32 3.150 6.652 -17.937 1.00 0.00 H new ATOM 0 HB3 LEU C 32 4.073 8.137 -17.819 1.00 0.00 H new ATOM 0 HG LEU C 32 1.438 9.064 -17.750 1.00 0.00 H new ATOM 0 HD11 LEU C 32 0.318 7.644 -16.052 1.00 0.00 H new ATOM 0 HD12 LEU C 32 0.623 6.729 -17.547 1.00 0.00 H new ATOM 0 HD13 LEU C 32 1.669 6.487 -16.128 1.00 0.00 H new ATOM 0 HD21 LEU C 32 1.901 9.447 -15.347 1.00 0.00 H new ATOM 0 HD22 LEU C 32 3.250 8.289 -15.422 1.00 0.00 H new ATOM 0 HD23 LEU C 32 3.333 9.811 -16.340 1.00 0.00 H new ATOM 397 N GLN C 33 4.652 8.676 -20.961 1.00 0.00 N ATOM 398 CA GLN C 33 5.838 8.376 -21.812 1.00 0.00 C ATOM 399 C GLN C 33 6.871 7.609 -20.981 1.00 0.00 C ATOM 400 O GLN C 33 6.798 7.573 -19.771 1.00 0.00 O ATOM 401 CB GLN C 33 6.450 9.687 -22.307 1.00 0.00 C ATOM 402 CG GLN C 33 6.474 9.692 -23.837 1.00 0.00 C ATOM 403 CD GLN C 33 5.965 11.040 -24.347 1.00 0.00 C ATOM 404 OE1 GLN C 33 6.523 11.605 -25.267 1.00 0.00 O ATOM 405 NE2 GLN C 33 4.921 11.583 -23.785 1.00 0.00 N ATOM 0 H GLN C 33 4.427 9.665 -20.855 1.00 0.00 H new ATOM 0 HA GLN C 33 5.536 7.772 -22.667 1.00 0.00 H new ATOM 0 HB2 GLN C 33 5.870 10.533 -21.939 1.00 0.00 H new ATOM 0 HB3 GLN C 33 7.461 9.799 -21.916 1.00 0.00 H new ATOM 0 HG2 GLN C 33 7.487 9.514 -24.197 1.00 0.00 H new ATOM 0 HG3 GLN C 33 5.852 8.885 -24.224 1.00 0.00 H new ATOM 0 HE21 GLN C 33 4.453 11.109 -23.013 1.00 0.00 H new ATOM 0 HE22 GLN C 33 4.573 12.482 -24.118 1.00 0.00 H new ATOM 414 N ILE C 34 7.828 6.990 -21.618 1.00 0.00 N ATOM 415 CA ILE C 34 8.862 6.229 -20.855 1.00 0.00 C ATOM 416 C ILE C 34 10.254 6.702 -21.277 1.00 0.00 C ATOM 417 O ILE C 34 10.468 7.102 -22.405 1.00 0.00 O ATOM 418 CB ILE C 34 8.720 4.733 -21.148 1.00 0.00 C ATOM 419 CG1 ILE C 34 7.392 4.222 -20.586 1.00 0.00 C ATOM 420 CG2 ILE C 34 9.873 3.969 -20.489 1.00 0.00 C ATOM 421 CD1 ILE C 34 7.412 4.310 -19.060 1.00 0.00 C ATOM 0 H ILE C 34 7.940 6.978 -22.632 1.00 0.00 H new ATOM 0 HA ILE C 34 8.726 6.402 -19.787 1.00 0.00 H new ATOM 0 HB ILE C 34 8.745 4.575 -22.226 1.00 0.00 H new ATOM 0 HG12 ILE C 34 6.566 4.812 -20.983 1.00 0.00 H new ATOM 0 HG13 ILE C 34 7.226 3.191 -20.899 1.00 0.00 H new ATOM 0 HG21 ILE C 34 9.771 2.904 -20.698 1.00 0.00 H new ATOM 0 HG22 ILE C 34 10.822 4.328 -20.888 1.00 0.00 H new ATOM 0 HG23 ILE C 34 9.848 4.131 -19.411 1.00 0.00 H new ATOM 0 HD11 ILE C 34 6.465 3.945 -18.662 1.00 0.00 H new ATOM 0 HD12 ILE C 34 8.228 3.701 -18.671 1.00 0.00 H new ATOM 0 HD13 ILE C 34 7.558 5.347 -18.757 1.00 0.00 H new ATOM 433 N VAL C 35 11.205 6.659 -20.384 1.00 0.00 N ATOM 434 CA VAL C 35 12.581 7.107 -20.741 1.00 0.00 C ATOM 435 C VAL C 35 13.575 5.977 -20.480 1.00 0.00 C ATOM 436 O VAL C 35 13.941 5.238 -21.372 1.00 0.00 O ATOM 437 CB VAL C 35 12.958 8.319 -19.889 1.00 0.00 C ATOM 438 CG1 VAL C 35 14.435 8.655 -20.107 1.00 0.00 C ATOM 439 CG2 VAL C 35 12.098 9.515 -20.304 1.00 0.00 C ATOM 0 H VAL C 35 11.089 6.334 -19.424 1.00 0.00 H new ATOM 0 HA VAL C 35 12.609 7.377 -21.797 1.00 0.00 H new ATOM 0 HB VAL C 35 12.788 8.093 -18.836 1.00 0.00 H new ATOM 0 HG11 VAL C 35 14.705 9.519 -19.500 1.00 0.00 H new ATOM 0 HG12 VAL C 35 15.049 7.802 -19.817 1.00 0.00 H new ATOM 0 HG13 VAL C 35 14.605 8.883 -21.159 1.00 0.00 H new ATOM 0 HG21 VAL C 35 12.364 10.382 -19.699 1.00 0.00 H new ATOM 0 HG22 VAL C 35 12.272 9.740 -21.356 1.00 0.00 H new ATOM 0 HG23 VAL C 35 11.045 9.276 -20.153 1.00 0.00 H new ATOM 449 N ASN C 36 14.014 5.838 -19.262 1.00 0.00 N ATOM 450 CA ASN C 36 14.987 4.756 -18.938 1.00 0.00 C ATOM 451 C ASN C 36 14.235 3.556 -18.362 1.00 0.00 C ATOM 452 O ASN C 36 13.292 3.707 -17.614 1.00 0.00 O ATOM 453 CB ASN C 36 15.999 5.268 -17.911 1.00 0.00 C ATOM 454 CG ASN C 36 17.306 5.631 -18.619 1.00 0.00 C ATOM 455 OD1 ASN C 36 17.502 5.295 -19.770 1.00 0.00 O ATOM 456 ND2 ASN C 36 18.216 6.311 -17.974 1.00 0.00 N ATOM 0 H ASN C 36 13.742 6.427 -18.475 1.00 0.00 H new ATOM 0 HA ASN C 36 15.514 4.456 -19.844 1.00 0.00 H new ATOM 0 HB2 ASN C 36 15.599 6.140 -17.394 1.00 0.00 H new ATOM 0 HB3 ASN C 36 16.183 4.505 -17.154 1.00 0.00 H new ATOM 0 HD21 ASN C 36 19.090 6.560 -18.437 1.00 0.00 H new ATOM 0 HD22 ASN C 36 18.052 6.593 -17.008 1.00 0.00 H new ATOM 463 N ASN C 37 14.642 2.363 -18.702 1.00 0.00 N ATOM 464 CA ASN C 37 13.940 1.163 -18.168 1.00 0.00 C ATOM 465 C ASN C 37 14.880 -0.045 -18.208 1.00 0.00 C ATOM 466 O ASN C 37 14.890 -0.801 -19.159 1.00 0.00 O ATOM 467 CB ASN C 37 12.706 0.874 -19.023 1.00 0.00 C ATOM 468 CG ASN C 37 13.110 0.825 -20.498 1.00 0.00 C ATOM 469 OD1 ASN C 37 13.624 1.789 -21.030 1.00 0.00 O ATOM 470 ND2 ASN C 37 12.898 -0.264 -21.184 1.00 0.00 N ATOM 0 H ASN C 37 15.427 2.169 -19.324 1.00 0.00 H new ATOM 0 HA ASN C 37 13.637 1.351 -17.138 1.00 0.00 H new ATOM 0 HB2 ASN C 37 12.258 -0.074 -18.726 1.00 0.00 H new ATOM 0 HB3 ASN C 37 11.952 1.646 -18.866 1.00 0.00 H new ATOM 0 HD21 ASN C 37 13.164 -0.307 -22.168 1.00 0.00 H new ATOM 0 HD22 ASN C 37 12.467 -1.073 -20.737 1.00 0.00 H new ATOM 477 N THR C 38 15.669 -0.234 -17.186 1.00 0.00 N ATOM 478 CA THR C 38 16.601 -1.394 -17.172 1.00 0.00 C ATOM 479 C THR C 38 16.633 -2.012 -15.769 1.00 0.00 C ATOM 480 O THR C 38 15.772 -2.788 -15.409 1.00 0.00 O ATOM 481 CB THR C 38 18.002 -0.926 -17.578 1.00 0.00 C ATOM 482 OG1 THR C 38 18.972 -1.836 -17.075 1.00 0.00 O ATOM 483 CG2 THR C 38 18.262 0.472 -17.014 1.00 0.00 C ATOM 0 H THR C 38 15.708 0.365 -16.361 1.00 0.00 H new ATOM 0 HA THR C 38 16.259 -2.148 -17.881 1.00 0.00 H new ATOM 0 HB THR C 38 18.071 -0.891 -18.665 1.00 0.00 H new ATOM 0 HG1 THR C 38 19.868 -1.537 -17.336 1.00 0.00 H new ATOM 0 HG21 THR C 38 19.259 0.802 -17.305 1.00 0.00 H new ATOM 0 HG22 THR C 38 17.521 1.167 -17.408 1.00 0.00 H new ATOM 0 HG23 THR C 38 18.191 0.445 -15.927 1.00 0.00 H new ATOM 491 N GLU C 39 17.613 -1.676 -14.972 1.00 0.00 N ATOM 492 CA GLU C 39 17.685 -2.250 -13.604 1.00 0.00 C ATOM 493 C GLU C 39 16.845 -1.399 -12.649 1.00 0.00 C ATOM 494 O GLU C 39 16.654 -0.218 -12.858 1.00 0.00 O ATOM 495 CB GLU C 39 19.140 -2.256 -13.135 1.00 0.00 C ATOM 496 CG GLU C 39 20.067 -2.473 -14.336 1.00 0.00 C ATOM 497 CD GLU C 39 20.767 -1.158 -14.686 1.00 0.00 C ATOM 498 OE1 GLU C 39 20.154 -0.118 -14.508 1.00 0.00 O ATOM 499 OE2 GLU C 39 21.903 -1.214 -15.125 1.00 0.00 O ATOM 0 H GLU C 39 18.364 -1.029 -15.212 1.00 0.00 H new ATOM 0 HA GLU C 39 17.300 -3.270 -13.615 1.00 0.00 H new ATOM 0 HB2 GLU C 39 19.378 -1.312 -12.645 1.00 0.00 H new ATOM 0 HB3 GLU C 39 19.292 -3.045 -12.398 1.00 0.00 H new ATOM 0 HG2 GLU C 39 20.806 -3.240 -14.104 1.00 0.00 H new ATOM 0 HG3 GLU C 39 19.494 -2.831 -15.191 1.00 0.00 H new ATOM 506 N GLY C 40 16.342 -1.991 -11.601 1.00 0.00 N ATOM 507 CA GLY C 40 15.515 -1.216 -10.633 1.00 0.00 C ATOM 508 C GLY C 40 14.035 -1.366 -10.994 1.00 0.00 C ATOM 509 O GLY C 40 13.680 -2.051 -11.932 1.00 0.00 O ATOM 0 H GLY C 40 16.468 -2.977 -11.373 1.00 0.00 H new ATOM 0 HA2 GLY C 40 15.691 -1.574 -9.619 1.00 0.00 H new ATOM 0 HA3 GLY C 40 15.801 -0.164 -10.654 1.00 0.00 H new ATOM 513 N ASP C 41 13.170 -0.726 -10.256 1.00 0.00 N ATOM 514 CA ASP C 41 11.714 -0.830 -10.554 1.00 0.00 C ATOM 515 C ASP C 41 11.151 0.565 -10.834 1.00 0.00 C ATOM 516 O ASP C 41 10.052 0.713 -11.329 1.00 0.00 O ATOM 517 CB ASP C 41 10.991 -1.436 -9.351 1.00 0.00 C ATOM 518 CG ASP C 41 11.018 -2.962 -9.452 1.00 0.00 C ATOM 519 OD1 ASP C 41 11.978 -3.550 -8.982 1.00 0.00 O ATOM 520 OD2 ASP C 41 10.078 -3.517 -10.000 1.00 0.00 O ATOM 0 H ASP C 41 13.409 -0.135 -9.459 1.00 0.00 H new ATOM 0 HA ASP C 41 11.566 -1.465 -11.427 1.00 0.00 H new ATOM 0 HB2 ASP C 41 11.470 -1.114 -8.426 1.00 0.00 H new ATOM 0 HB3 ASP C 41 9.961 -1.082 -9.317 1.00 0.00 H new ATOM 525 N TRP C 42 11.895 1.589 -10.520 1.00 0.00 N ATOM 526 CA TRP C 42 11.399 2.971 -10.768 1.00 0.00 C ATOM 527 C TRP C 42 12.016 3.516 -12.057 1.00 0.00 C ATOM 528 O TRP C 42 13.218 3.650 -12.174 1.00 0.00 O ATOM 529 CB TRP C 42 11.794 3.869 -9.597 1.00 0.00 C ATOM 530 CG TRP C 42 11.023 3.438 -8.350 1.00 0.00 C ATOM 531 CD1 TRP C 42 11.359 2.409 -7.553 1.00 0.00 C ATOM 532 CD2 TRP C 42 9.914 4.019 -7.900 1.00 0.00 C ATOM 533 NE1 TRP C 42 10.406 2.412 -6.620 1.00 0.00 N ATOM 534 CE2 TRP C 42 9.465 3.381 -6.760 1.00 0.00 C ATOM 535 CE3 TRP C 42 9.219 5.098 -8.405 1.00 0.00 C ATOM 536 CZ2 TRP C 42 8.323 3.823 -6.127 1.00 0.00 C ATOM 537 CZ3 TRP C 42 8.075 5.539 -7.772 1.00 0.00 C ATOM 538 CH2 TRP C 42 7.627 4.902 -6.633 1.00 0.00 C ATOM 0 H TRP C 42 12.824 1.529 -10.103 1.00 0.00 H new ATOM 0 HA TRP C 42 10.314 2.953 -10.867 1.00 0.00 H new ATOM 0 HB2 TRP C 42 12.867 3.801 -9.417 1.00 0.00 H new ATOM 0 HB3 TRP C 42 11.575 4.911 -9.832 1.00 0.00 H new ATOM 0 HD1 TRP C 42 12.201 1.739 -7.646 1.00 0.00 H new ATOM 0 HE1 TRP C 42 10.385 1.736 -5.857 1.00 0.00 H new ATOM 0 HE3 TRP C 42 9.570 5.598 -9.296 1.00 0.00 H new ATOM 0 HZ2 TRP C 42 7.973 3.325 -5.235 1.00 0.00 H new ATOM 0 HZ3 TRP C 42 7.530 6.383 -8.168 1.00 0.00 H new ATOM 0 HH2 TRP C 42 6.732 5.248 -6.138 1.00 0.00 H new ATOM 549 N TRP C 43 11.201 3.830 -13.025 1.00 0.00 N ATOM 550 CA TRP C 43 11.741 4.366 -14.305 1.00 0.00 C ATOM 551 C TRP C 43 11.322 5.825 -14.459 1.00 0.00 C ATOM 552 O TRP C 43 10.402 6.292 -13.814 1.00 0.00 O ATOM 553 CB TRP C 43 11.172 3.573 -15.482 1.00 0.00 C ATOM 554 CG TRP C 43 11.469 2.083 -15.306 1.00 0.00 C ATOM 555 CD1 TRP C 43 12.553 1.580 -14.690 1.00 0.00 C ATOM 556 CD2 TRP C 43 10.703 1.092 -15.763 1.00 0.00 C ATOM 557 NE1 TRP C 43 12.395 0.260 -14.804 1.00 0.00 N ATOM 558 CE2 TRP C 43 11.271 -0.131 -15.457 1.00 0.00 C ATOM 559 CE3 TRP C 43 9.506 1.142 -16.454 1.00 0.00 C ATOM 560 CZ2 TRP C 43 10.644 -1.299 -15.840 1.00 0.00 C ATOM 561 CZ3 TRP C 43 8.881 -0.027 -16.835 1.00 0.00 C ATOM 562 CH2 TRP C 43 9.449 -1.247 -16.529 1.00 0.00 C ATOM 0 H TRP C 43 10.186 3.739 -12.985 1.00 0.00 H new ATOM 0 HA TRP C 43 12.828 4.282 -14.293 1.00 0.00 H new ATOM 0 HB2 TRP C 43 10.096 3.731 -15.551 1.00 0.00 H new ATOM 0 HB3 TRP C 43 11.607 3.930 -16.415 1.00 0.00 H new ATOM 0 HD1 TRP C 43 13.361 2.117 -14.215 1.00 0.00 H new ATOM 0 HE1 TRP C 43 13.069 -0.406 -14.428 1.00 0.00 H new ATOM 0 HE3 TRP C 43 9.061 2.096 -16.695 1.00 0.00 H new ATOM 0 HZ2 TRP C 43 11.088 -2.254 -15.601 1.00 0.00 H new ATOM 0 HZ3 TRP C 43 7.946 0.012 -17.374 1.00 0.00 H new ATOM 0 HH2 TRP C 43 8.958 -2.161 -16.829 1.00 0.00 H new ATOM 573 N LEU C 44 11.984 6.549 -15.315 1.00 0.00 N ATOM 574 CA LEU C 44 11.621 7.974 -15.512 1.00 0.00 C ATOM 575 C LEU C 44 10.634 8.030 -16.665 1.00 0.00 C ATOM 576 O LEU C 44 11.002 7.908 -17.815 1.00 0.00 O ATOM 577 CB LEU C 44 12.865 8.793 -15.860 1.00 0.00 C ATOM 578 CG LEU C 44 12.485 10.271 -15.973 1.00 0.00 C ATOM 579 CD1 LEU C 44 13.750 11.126 -15.922 1.00 0.00 C ATOM 580 CD2 LEU C 44 11.764 10.516 -17.299 1.00 0.00 C ATOM 0 H LEU C 44 12.760 6.214 -15.886 1.00 0.00 H new ATOM 0 HA LEU C 44 11.186 8.388 -14.602 1.00 0.00 H new ATOM 0 HB2 LEU C 44 13.628 8.660 -15.093 1.00 0.00 H new ATOM 0 HB3 LEU C 44 13.293 8.443 -16.799 1.00 0.00 H new ATOM 0 HG LEU C 44 11.827 10.539 -15.146 1.00 0.00 H new ATOM 0 HD11 LEU C 44 13.481 12.179 -16.002 1.00 0.00 H new ATOM 0 HD12 LEU C 44 14.267 10.955 -14.978 1.00 0.00 H new ATOM 0 HD13 LEU C 44 14.406 10.855 -16.749 1.00 0.00 H new ATOM 0 HD21 LEU C 44 11.494 11.569 -17.377 1.00 0.00 H new ATOM 0 HD22 LEU C 44 12.422 10.247 -18.126 1.00 0.00 H new ATOM 0 HD23 LEU C 44 10.861 9.906 -17.340 1.00 0.00 H new ATOM 592 N ALA C 45 9.379 8.199 -16.383 1.00 0.00 N ATOM 593 CA ALA C 45 8.400 8.250 -17.492 1.00 0.00 C ATOM 594 C ALA C 45 7.686 9.598 -17.519 1.00 0.00 C ATOM 595 O ALA C 45 7.472 10.231 -16.504 1.00 0.00 O ATOM 596 CB ALA C 45 7.370 7.135 -17.306 1.00 0.00 C ATOM 0 H ALA C 45 8.992 8.303 -15.445 1.00 0.00 H new ATOM 0 HA ALA C 45 8.931 8.117 -18.435 1.00 0.00 H new ATOM 0 HB1 ALA C 45 6.647 7.168 -18.121 1.00 0.00 H new ATOM 0 HB2 ALA C 45 7.875 6.169 -17.309 1.00 0.00 H new ATOM 0 HB3 ALA C 45 6.853 7.272 -16.356 1.00 0.00 H new ATOM 602 N HIS C 46 7.327 10.038 -18.690 1.00 0.00 N ATOM 603 CA HIS C 46 6.624 11.336 -18.828 1.00 0.00 C ATOM 604 C HIS C 46 5.133 11.057 -19.024 1.00 0.00 C ATOM 605 O HIS C 46 4.663 9.964 -18.773 1.00 0.00 O ATOM 606 CB HIS C 46 7.179 12.074 -20.046 1.00 0.00 C ATOM 607 CG HIS C 46 7.098 13.575 -19.801 1.00 0.00 C ATOM 608 ND1 HIS C 46 7.700 14.457 -20.476 1.00 0.00 N ATOM 609 CD2 HIS C 46 6.376 14.275 -18.857 1.00 0.00 C ATOM 610 CE1 HIS C 46 7.418 15.623 -20.042 1.00 0.00 C ATOM 611 NE2 HIS C 46 6.584 15.585 -19.014 1.00 0.00 N ATOM 0 H HIS C 46 7.494 9.545 -19.567 1.00 0.00 H new ATOM 0 HA HIS C 46 6.771 11.950 -17.940 1.00 0.00 H new ATOM 0 HB2 HIS C 46 8.212 11.778 -20.226 1.00 0.00 H new ATOM 0 HB3 HIS C 46 6.611 11.808 -20.938 1.00 0.00 H new ATOM 0 HD1 HIS C 46 8.325 14.264 -21.259 1.00 0.00 H new ATOM 0 HD2 HIS C 46 5.740 13.832 -18.106 1.00 0.00 H new ATOM 0 HE1 HIS C 46 7.813 16.535 -20.464 1.00 0.00 H new ATOM 619 N SER C 47 4.383 12.026 -19.459 1.00 0.00 N ATOM 620 CA SER C 47 2.924 11.796 -19.665 1.00 0.00 C ATOM 621 C SER C 47 2.359 12.941 -20.499 1.00 0.00 C ATOM 622 O SER C 47 1.351 13.531 -20.165 1.00 0.00 O ATOM 623 CB SER C 47 2.217 11.746 -18.309 1.00 0.00 C ATOM 624 OG SER C 47 3.175 11.524 -17.283 1.00 0.00 O ATOM 0 H SER C 47 4.712 12.965 -19.681 1.00 0.00 H new ATOM 0 HA SER C 47 2.766 10.850 -20.183 1.00 0.00 H new ATOM 0 HB2 SER C 47 1.686 12.681 -18.129 1.00 0.00 H new ATOM 0 HB3 SER C 47 1.472 10.950 -18.304 1.00 0.00 H new ATOM 0 HG SER C 47 2.753 11.651 -16.408 1.00 0.00 H new ATOM 630 N LEU C 48 2.994 13.243 -21.596 1.00 0.00 N ATOM 631 CA LEU C 48 2.507 14.350 -22.462 1.00 0.00 C ATOM 632 C LEU C 48 3.490 14.548 -23.620 1.00 0.00 C ATOM 633 O LEU C 48 3.330 14.005 -24.695 1.00 0.00 O ATOM 634 CB LEU C 48 2.430 15.639 -21.639 1.00 0.00 C ATOM 635 CG LEU C 48 3.473 15.590 -20.519 1.00 0.00 C ATOM 636 CD1 LEU C 48 4.278 16.890 -20.507 1.00 0.00 C ATOM 637 CD2 LEU C 48 2.768 15.416 -19.177 1.00 0.00 C ATOM 0 H LEU C 48 3.833 12.769 -21.931 1.00 0.00 H new ATOM 0 HA LEU C 48 1.519 14.106 -22.853 1.00 0.00 H new ATOM 0 HB2 LEU C 48 2.608 16.503 -22.279 1.00 0.00 H new ATOM 0 HB3 LEU C 48 1.432 15.755 -21.217 1.00 0.00 H new ATOM 0 HG LEU C 48 4.147 14.751 -20.689 1.00 0.00 H new ATOM 0 HD11 LEU C 48 5.019 16.852 -19.709 1.00 0.00 H new ATOM 0 HD12 LEU C 48 4.783 17.014 -21.465 1.00 0.00 H new ATOM 0 HD13 LEU C 48 3.607 17.732 -20.339 1.00 0.00 H new ATOM 0 HD21 LEU C 48 3.509 15.381 -18.379 1.00 0.00 H new ATOM 0 HD22 LEU C 48 2.093 16.255 -19.009 1.00 0.00 H new ATOM 0 HD23 LEU C 48 2.197 14.487 -19.183 1.00 0.00 H new ATOM 649 N THR C 49 4.504 15.335 -23.393 1.00 0.00 N ATOM 650 CA THR C 49 5.526 15.600 -24.441 1.00 0.00 C ATOM 651 C THR C 49 6.873 15.720 -23.734 1.00 0.00 C ATOM 652 O THR C 49 7.064 15.158 -22.677 1.00 0.00 O ATOM 653 CB THR C 49 5.203 16.909 -25.167 1.00 0.00 C ATOM 654 OG1 THR C 49 3.847 17.259 -24.929 1.00 0.00 O ATOM 655 CG2 THR C 49 5.431 16.733 -26.669 1.00 0.00 C ATOM 0 H THR C 49 4.670 15.814 -22.508 1.00 0.00 H new ATOM 0 HA THR C 49 5.542 14.797 -25.178 1.00 0.00 H new ATOM 0 HB THR C 49 5.853 17.700 -24.795 1.00 0.00 H new ATOM 0 HG1 THR C 49 3.639 18.097 -25.392 1.00 0.00 H new ATOM 0 HG21 THR C 49 5.201 17.666 -27.184 1.00 0.00 H new ATOM 0 HG22 THR C 49 6.472 16.466 -26.850 1.00 0.00 H new ATOM 0 HG23 THR C 49 4.783 15.941 -27.045 1.00 0.00 H new ATOM 663 N THR C 50 7.811 16.429 -24.284 1.00 0.00 N ATOM 664 CA THR C 50 9.123 16.546 -23.590 1.00 0.00 C ATOM 665 C THR C 50 9.099 17.765 -22.669 1.00 0.00 C ATOM 666 O THR C 50 10.032 18.542 -22.620 1.00 0.00 O ATOM 667 CB THR C 50 10.251 16.699 -24.607 1.00 0.00 C ATOM 668 OG1 THR C 50 10.338 15.520 -25.399 1.00 0.00 O ATOM 669 CG2 THR C 50 11.563 16.917 -23.855 1.00 0.00 C ATOM 0 H THR C 50 7.733 16.927 -25.171 1.00 0.00 H new ATOM 0 HA THR C 50 9.297 15.642 -23.006 1.00 0.00 H new ATOM 0 HB THR C 50 10.055 17.550 -25.259 1.00 0.00 H new ATOM 0 HG1 THR C 50 11.061 15.618 -26.053 1.00 0.00 H new ATOM 0 HG21 THR C 50 12.378 17.028 -24.570 1.00 0.00 H new ATOM 0 HG22 THR C 50 11.488 17.819 -23.247 1.00 0.00 H new ATOM 0 HG23 THR C 50 11.760 16.060 -23.211 1.00 0.00 H new ATOM 677 N GLY C 51 8.036 17.944 -21.941 1.00 0.00 N ATOM 678 CA GLY C 51 7.955 19.113 -21.028 1.00 0.00 C ATOM 679 C GLY C 51 8.461 18.772 -19.619 1.00 0.00 C ATOM 680 O GLY C 51 9.524 19.199 -19.214 1.00 0.00 O ATOM 0 H GLY C 51 7.220 17.332 -21.939 1.00 0.00 H new ATOM 0 HA2 GLY C 51 8.543 19.935 -21.436 1.00 0.00 H new ATOM 0 HA3 GLY C 51 6.923 19.458 -20.970 1.00 0.00 H new ATOM 684 N GLN C 52 7.713 18.009 -18.873 1.00 0.00 N ATOM 685 CA GLN C 52 8.154 17.648 -17.488 1.00 0.00 C ATOM 686 C GLN C 52 8.670 16.209 -17.419 1.00 0.00 C ATOM 687 O GLN C 52 9.230 15.677 -18.355 1.00 0.00 O ATOM 688 CB GLN C 52 6.964 17.798 -16.536 1.00 0.00 C ATOM 689 CG GLN C 52 6.100 18.980 -16.979 1.00 0.00 C ATOM 690 CD GLN C 52 4.790 18.980 -16.189 1.00 0.00 C ATOM 691 OE1 GLN C 52 4.789 18.779 -14.991 1.00 0.00 O ATOM 692 NE2 GLN C 52 3.666 19.198 -16.815 1.00 0.00 N ATOM 0 H GLN C 52 6.815 17.618 -19.158 1.00 0.00 H new ATOM 0 HA GLN C 52 8.968 18.314 -17.202 1.00 0.00 H new ATOM 0 HB2 GLN C 52 6.372 16.883 -16.531 1.00 0.00 H new ATOM 0 HB3 GLN C 52 7.318 17.955 -15.517 1.00 0.00 H new ATOM 0 HG2 GLN C 52 6.635 19.916 -16.817 1.00 0.00 H new ATOM 0 HG3 GLN C 52 5.893 18.912 -18.047 1.00 0.00 H new ATOM 0 HE21 GLN C 52 3.667 19.367 -17.821 1.00 0.00 H new ATOM 0 HE22 GLN C 52 2.787 19.200 -16.298 1.00 0.00 H new ATOM 701 N THR C 53 8.543 15.609 -16.272 1.00 0.00 N ATOM 702 CA THR C 53 9.007 14.206 -16.085 1.00 0.00 C ATOM 703 C THR C 53 8.327 13.631 -14.841 1.00 0.00 C ATOM 704 O THR C 53 7.799 14.358 -14.023 1.00 0.00 O ATOM 705 CB THR C 53 10.531 14.185 -15.908 1.00 0.00 C ATOM 706 OG1 THR C 53 11.151 14.256 -17.184 1.00 0.00 O ATOM 707 CG2 THR C 53 10.963 12.894 -15.204 1.00 0.00 C ATOM 0 H THR C 53 8.131 16.036 -15.442 1.00 0.00 H new ATOM 0 HA THR C 53 8.749 13.606 -16.958 1.00 0.00 H new ATOM 0 HB THR C 53 10.832 15.038 -15.300 1.00 0.00 H new ATOM 0 HG1 THR C 53 10.498 14.558 -17.849 1.00 0.00 H new ATOM 0 HG21 THR C 53 12.046 12.890 -15.084 1.00 0.00 H new ATOM 0 HG22 THR C 53 10.489 12.838 -14.224 1.00 0.00 H new ATOM 0 HG23 THR C 53 10.661 12.035 -15.803 1.00 0.00 H new ATOM 715 N GLY C 54 8.341 12.337 -14.681 1.00 0.00 N ATOM 716 CA GLY C 54 7.692 11.740 -13.483 1.00 0.00 C ATOM 717 C GLY C 54 8.151 10.291 -13.310 1.00 0.00 C ATOM 718 O GLY C 54 7.680 9.396 -13.985 1.00 0.00 O ATOM 0 H GLY C 54 8.771 11.672 -15.324 1.00 0.00 H new ATOM 0 HA2 GLY C 54 7.945 12.319 -12.595 1.00 0.00 H new ATOM 0 HA3 GLY C 54 6.608 11.777 -13.590 1.00 0.00 H new ATOM 722 N TYR C 55 9.070 10.051 -12.415 1.00 0.00 N ATOM 723 CA TYR C 55 9.551 8.660 -12.205 1.00 0.00 C ATOM 724 C TYR C 55 8.365 7.804 -11.762 1.00 0.00 C ATOM 725 O TYR C 55 7.944 7.854 -10.624 1.00 0.00 O ATOM 726 CB TYR C 55 10.628 8.647 -11.119 1.00 0.00 C ATOM 727 CG TYR C 55 11.488 9.907 -11.232 1.00 0.00 C ATOM 728 CD1 TYR C 55 11.975 10.316 -12.456 1.00 0.00 C ATOM 729 CD2 TYR C 55 11.787 10.652 -10.109 1.00 0.00 C ATOM 730 CE1 TYR C 55 12.751 11.454 -12.556 1.00 0.00 C ATOM 731 CE2 TYR C 55 12.563 11.789 -10.209 1.00 0.00 C ATOM 732 CZ TYR C 55 13.050 12.199 -11.434 1.00 0.00 C ATOM 733 OH TYR C 55 13.825 13.336 -11.534 1.00 0.00 O ATOM 0 H TYR C 55 9.506 10.757 -11.822 1.00 0.00 H new ATOM 0 HA TYR C 55 9.976 8.266 -13.128 1.00 0.00 H new ATOM 0 HB2 TYR C 55 10.164 8.599 -10.134 1.00 0.00 H new ATOM 0 HB3 TYR C 55 11.251 7.759 -11.222 1.00 0.00 H new ATOM 0 HD1 TYR C 55 11.748 9.742 -13.342 1.00 0.00 H new ATOM 0 HD2 TYR C 55 11.411 10.343 -9.145 1.00 0.00 H new ATOM 0 HE1 TYR C 55 13.127 11.763 -13.520 1.00 0.00 H new ATOM 0 HE2 TYR C 55 12.791 12.362 -9.322 1.00 0.00 H new ATOM 0 HH TYR C 55 13.934 13.736 -10.646 1.00 0.00 H new ATOM 743 N ILE C 56 7.824 7.018 -12.649 1.00 0.00 N ATOM 744 CA ILE C 56 6.664 6.165 -12.266 1.00 0.00 C ATOM 745 C ILE C 56 7.140 4.739 -11.974 1.00 0.00 C ATOM 746 O ILE C 56 7.982 4.213 -12.676 1.00 0.00 O ATOM 747 CB ILE C 56 5.653 6.136 -13.414 1.00 0.00 C ATOM 748 CG1 ILE C 56 6.312 5.547 -14.663 1.00 0.00 C ATOM 749 CG2 ILE C 56 5.180 7.561 -13.713 1.00 0.00 C ATOM 750 CD1 ILE C 56 5.937 4.069 -14.789 1.00 0.00 C ATOM 0 H ILE C 56 8.132 6.929 -13.617 1.00 0.00 H new ATOM 0 HA ILE C 56 6.195 6.578 -11.373 1.00 0.00 H new ATOM 0 HB ILE C 56 4.800 5.520 -13.129 1.00 0.00 H new ATOM 0 HG12 ILE C 56 5.988 6.092 -15.550 1.00 0.00 H new ATOM 0 HG13 ILE C 56 7.395 5.654 -14.601 1.00 0.00 H new ATOM 0 HG21 ILE C 56 4.460 7.541 -14.531 1.00 0.00 H new ATOM 0 HG22 ILE C 56 4.709 7.982 -12.825 1.00 0.00 H new ATOM 0 HG23 ILE C 56 6.034 8.176 -13.997 1.00 0.00 H new ATOM 0 HD11 ILE C 56 6.406 3.649 -15.679 1.00 0.00 H new ATOM 0 HD12 ILE C 56 6.283 3.529 -13.907 1.00 0.00 H new ATOM 0 HD13 ILE C 56 4.854 3.974 -14.871 1.00 0.00 H new ATOM 762 N PRO C 57 6.589 4.153 -10.938 1.00 0.00 N ATOM 763 CA PRO C 57 6.945 2.781 -10.535 1.00 0.00 C ATOM 764 C PRO C 57 6.507 1.794 -11.621 1.00 0.00 C ATOM 765 O PRO C 57 5.549 2.026 -12.332 1.00 0.00 O ATOM 766 CB PRO C 57 6.168 2.540 -9.233 1.00 0.00 C ATOM 767 CG PRO C 57 5.277 3.783 -8.980 1.00 0.00 C ATOM 768 CD PRO C 57 5.581 4.810 -10.083 1.00 0.00 C ATOM 0 HA PRO C 57 8.018 2.647 -10.395 1.00 0.00 H new ATOM 0 HB2 PRO C 57 5.557 1.641 -9.313 1.00 0.00 H new ATOM 0 HB3 PRO C 57 6.855 2.386 -8.401 1.00 0.00 H new ATOM 0 HG2 PRO C 57 4.223 3.507 -8.995 1.00 0.00 H new ATOM 0 HG3 PRO C 57 5.482 4.206 -7.997 1.00 0.00 H new ATOM 0 HD2 PRO C 57 4.684 5.060 -10.649 1.00 0.00 H new ATOM 0 HD3 PRO C 57 5.963 5.741 -9.663 1.00 0.00 H new ATOM 776 N SER C 58 7.197 0.695 -11.758 1.00 0.00 N ATOM 777 CA SER C 58 6.813 -0.300 -12.801 1.00 0.00 C ATOM 778 C SER C 58 5.652 -1.158 -12.294 1.00 0.00 C ATOM 779 O SER C 58 4.836 -1.630 -13.061 1.00 0.00 O ATOM 780 CB SER C 58 8.012 -1.197 -13.115 1.00 0.00 C ATOM 781 OG SER C 58 8.902 -1.203 -12.009 1.00 0.00 O ATOM 0 H SER C 58 8.009 0.443 -11.194 1.00 0.00 H new ATOM 0 HA SER C 58 6.504 0.226 -13.705 1.00 0.00 H new ATOM 0 HB2 SER C 58 7.675 -2.211 -13.329 1.00 0.00 H new ATOM 0 HB3 SER C 58 8.525 -0.837 -14.006 1.00 0.00 H new ATOM 0 HG SER C 58 9.499 -0.428 -12.065 1.00 0.00 H new ATOM 787 N ASN C 59 5.569 -1.366 -11.009 1.00 0.00 N ATOM 788 CA ASN C 59 4.462 -2.193 -10.456 1.00 0.00 C ATOM 789 C ASN C 59 3.118 -1.523 -10.752 1.00 0.00 C ATOM 790 O ASN C 59 2.088 -2.165 -10.782 1.00 0.00 O ATOM 791 CB ASN C 59 4.644 -2.329 -8.945 1.00 0.00 C ATOM 792 CG ASN C 59 5.115 -0.994 -8.362 1.00 0.00 C ATOM 793 OD1 ASN C 59 4.313 -0.144 -8.034 1.00 0.00 O ATOM 794 ND2 ASN C 59 6.394 -0.774 -8.220 1.00 0.00 N ATOM 0 H ASN C 59 6.222 -0.998 -10.317 1.00 0.00 H new ATOM 0 HA ASN C 59 4.479 -3.180 -10.919 1.00 0.00 H new ATOM 0 HB2 ASN C 59 3.704 -2.629 -8.481 1.00 0.00 H new ATOM 0 HB3 ASN C 59 5.372 -3.110 -8.725 1.00 0.00 H new ATOM 0 HD21 ASN C 59 6.719 0.112 -7.833 1.00 0.00 H new ATOM 0 HD22 ASN C 59 7.068 -1.488 -8.496 1.00 0.00 H new ATOM 801 N TYR C 60 3.119 -0.236 -10.969 1.00 0.00 N ATOM 802 CA TYR C 60 1.840 0.471 -11.260 1.00 0.00 C ATOM 803 C TYR C 60 1.692 0.689 -12.769 1.00 0.00 C ATOM 804 O TYR C 60 0.617 0.978 -13.253 1.00 0.00 O ATOM 805 CB TYR C 60 1.833 1.823 -10.540 1.00 0.00 C ATOM 806 CG TYR C 60 1.601 1.615 -9.036 1.00 0.00 C ATOM 807 CD1 TYR C 60 1.384 0.351 -8.518 1.00 0.00 C ATOM 808 CD2 TYR C 60 1.594 2.694 -8.177 1.00 0.00 C ATOM 809 CE1 TYR C 60 1.164 0.175 -7.167 1.00 0.00 C ATOM 810 CE2 TYR C 60 1.374 2.517 -6.826 1.00 0.00 C ATOM 811 CZ TYR C 60 1.156 1.257 -6.310 1.00 0.00 C ATOM 812 OH TYR C 60 0.927 1.080 -4.961 1.00 0.00 O ATOM 0 H TYR C 60 3.950 0.356 -10.957 1.00 0.00 H new ATOM 0 HA TYR C 60 1.006 -0.136 -10.908 1.00 0.00 H new ATOM 0 HB2 TYR C 60 2.781 2.336 -10.703 1.00 0.00 H new ATOM 0 HB3 TYR C 60 1.051 2.460 -10.953 1.00 0.00 H new ATOM 0 HD1 TYR C 60 1.387 -0.505 -9.176 1.00 0.00 H new ATOM 0 HD2 TYR C 60 1.762 3.688 -8.565 1.00 0.00 H new ATOM 0 HE1 TYR C 60 0.997 -0.818 -6.777 1.00 0.00 H new ATOM 0 HE2 TYR C 60 1.373 3.373 -6.167 1.00 0.00 H new ATOM 0 HH TYR C 60 0.785 0.128 -4.775 1.00 0.00 H new ATOM 822 N VAL C 61 2.754 0.559 -13.518 1.00 0.00 N ATOM 823 CA VAL C 61 2.643 0.763 -14.992 1.00 0.00 C ATOM 824 C VAL C 61 2.648 -0.598 -15.689 1.00 0.00 C ATOM 825 O VAL C 61 2.482 -1.630 -15.068 1.00 0.00 O ATOM 826 CB VAL C 61 3.811 1.641 -15.491 1.00 0.00 C ATOM 827 CG1 VAL C 61 4.976 0.780 -16.002 1.00 0.00 C ATOM 828 CG2 VAL C 61 3.320 2.562 -16.613 1.00 0.00 C ATOM 0 H VAL C 61 3.686 0.323 -13.177 1.00 0.00 H new ATOM 0 HA VAL C 61 1.710 1.276 -15.226 1.00 0.00 H new ATOM 0 HB VAL C 61 4.171 2.238 -14.653 1.00 0.00 H new ATOM 0 HG11 VAL C 61 5.783 1.427 -16.346 1.00 0.00 H new ATOM 0 HG12 VAL C 61 5.340 0.144 -15.195 1.00 0.00 H new ATOM 0 HG13 VAL C 61 4.633 0.157 -16.828 1.00 0.00 H new ATOM 0 HG21 VAL C 61 4.146 3.181 -16.964 1.00 0.00 H new ATOM 0 HG22 VAL C 61 2.942 1.960 -17.439 1.00 0.00 H new ATOM 0 HG23 VAL C 61 2.522 3.202 -16.236 1.00 0.00 H new ATOM 838 N ALA C 62 2.837 -0.604 -16.972 1.00 0.00 N ATOM 839 CA ALA C 62 2.854 -1.891 -17.720 1.00 0.00 C ATOM 840 C ALA C 62 3.017 -1.611 -19.218 1.00 0.00 C ATOM 841 O ALA C 62 2.574 -0.590 -19.708 1.00 0.00 O ATOM 842 CB ALA C 62 1.541 -2.637 -17.479 1.00 0.00 C ATOM 0 H ALA C 62 2.982 0.230 -17.542 1.00 0.00 H new ATOM 0 HA ALA C 62 3.688 -2.502 -17.374 1.00 0.00 H new ATOM 0 HB1 ALA C 62 1.552 -3.580 -18.026 1.00 0.00 H new ATOM 0 HB2 ALA C 62 1.427 -2.837 -16.414 1.00 0.00 H new ATOM 0 HB3 ALA C 62 0.707 -2.027 -17.825 1.00 0.00 H new ATOM 848 N PRO C 63 3.652 -2.534 -19.900 1.00 0.00 N ATOM 849 CA PRO C 63 3.891 -2.415 -21.349 1.00 0.00 C ATOM 850 C PRO C 63 2.559 -2.385 -22.103 1.00 0.00 C ATOM 851 O PRO C 63 1.640 -3.115 -21.788 1.00 0.00 O ATOM 852 CB PRO C 63 4.690 -3.672 -21.721 1.00 0.00 C ATOM 853 CG PRO C 63 4.868 -4.516 -20.431 1.00 0.00 C ATOM 854 CD PRO C 63 4.187 -3.761 -19.280 1.00 0.00 C ATOM 0 HA PRO C 63 4.423 -1.500 -21.608 1.00 0.00 H new ATOM 0 HB2 PRO C 63 4.166 -4.246 -22.485 1.00 0.00 H new ATOM 0 HB3 PRO C 63 5.660 -3.400 -22.137 1.00 0.00 H new ATOM 0 HG2 PRO C 63 4.424 -5.504 -20.556 1.00 0.00 H new ATOM 0 HG3 PRO C 63 5.926 -4.667 -20.216 1.00 0.00 H new ATOM 0 HD2 PRO C 63 3.392 -4.357 -18.831 1.00 0.00 H new ATOM 0 HD3 PRO C 63 4.896 -3.526 -18.486 1.00 0.00 H new ATOM 862 N SER C 64 2.446 -1.547 -23.096 1.00 0.00 N ATOM 863 CA SER C 64 1.174 -1.470 -23.868 1.00 0.00 C ATOM 864 C SER C 64 1.483 -1.142 -25.329 1.00 0.00 C ATOM 865 O SER C 64 1.561 0.032 -25.649 1.00 0.00 O ATOM 866 CB SER C 64 0.284 -0.377 -23.275 1.00 0.00 C ATOM 867 OG SER C 64 -1.080 -0.726 -23.457 1.00 0.00 O ATOM 868 OXT SER C 64 1.635 -2.071 -26.106 1.00 0.00 O ATOM 0 H SER C 64 3.181 -0.911 -23.407 1.00 0.00 H new ATOM 0 HA SER C 64 0.657 -2.428 -23.814 1.00 0.00 H new ATOM 0 HB2 SER C 64 0.500 -0.253 -22.214 1.00 0.00 H new ATOM 0 HB3 SER C 64 0.493 0.578 -23.757 1.00 0.00 H new ATOM 0 HG SER C 64 -1.650 -0.026 -23.075 1.00 0.00 H new ATOM 875 N ARG R 71 14.235 2.400 -1.843 1.00 0.00 N ATOM 876 CA ARG R 71 12.947 3.119 -2.054 1.00 0.00 C ATOM 877 C ARG R 71 11.781 2.181 -1.740 1.00 0.00 C ATOM 878 O ARG R 71 10.729 2.605 -1.303 1.00 0.00 O ATOM 879 CB ARG R 71 12.853 3.580 -3.510 1.00 0.00 C ATOM 880 CG ARG R 71 11.540 4.336 -3.723 1.00 0.00 C ATOM 881 CD ARG R 71 11.592 5.670 -2.977 1.00 0.00 C ATOM 882 NE ARG R 71 12.020 6.746 -3.914 1.00 0.00 N ATOM 883 CZ ARG R 71 11.169 7.250 -4.767 1.00 0.00 C ATOM 884 NH1 ARG R 71 9.938 6.813 -4.804 1.00 0.00 N ATOM 885 NH2 ARG R 71 11.548 8.193 -5.585 1.00 0.00 N ATOM 0 HA ARG R 71 12.903 3.986 -1.395 1.00 0.00 H new ATOM 0 HB2 ARG R 71 13.699 4.223 -3.754 1.00 0.00 H new ATOM 0 HB3 ARG R 71 12.903 2.720 -4.179 1.00 0.00 H new ATOM 0 HG2 ARG R 71 11.376 4.508 -4.787 1.00 0.00 H new ATOM 0 HG3 ARG R 71 10.702 3.739 -3.364 1.00 0.00 H new ATOM 0 HD2 ARG R 71 10.612 5.904 -2.560 1.00 0.00 H new ATOM 0 HD3 ARG R 71 12.287 5.604 -2.140 1.00 0.00 H new ATOM 0 HE ARG R 71 12.980 7.090 -3.889 1.00 0.00 H new ATOM 0 HH11 ARG R 71 9.639 6.076 -4.165 1.00 0.00 H new ATOM 0 HH12 ARG R 71 9.276 7.209 -5.471 1.00 0.00 H new ATOM 0 HH21 ARG R 71 12.508 8.536 -5.558 1.00 0.00 H new ATOM 0 HH22 ARG R 71 10.884 8.587 -6.252 1.00 0.00 H new ATOM 901 N ALA R 72 11.958 0.906 -1.959 1.00 0.00 N ATOM 902 CA ALA R 72 10.858 -0.058 -1.673 1.00 0.00 C ATOM 903 C ALA R 72 9.634 0.300 -2.518 1.00 0.00 C ATOM 904 O ALA R 72 9.059 1.361 -2.377 1.00 0.00 O ATOM 905 CB ALA R 72 10.489 0.014 -0.189 1.00 0.00 C ATOM 0 H ALA R 72 12.816 0.491 -2.323 1.00 0.00 H new ATOM 0 HA ALA R 72 11.188 -1.068 -1.918 1.00 0.00 H new ATOM 0 HB1 ALA R 72 9.684 -0.691 0.020 1.00 0.00 H new ATOM 0 HB2 ALA R 72 11.360 -0.239 0.415 1.00 0.00 H new ATOM 0 HB3 ALA R 72 10.159 1.024 0.055 1.00 0.00 H new ATOM 911 N LEU R 73 9.231 -0.577 -3.397 1.00 0.00 N ATOM 912 CA LEU R 73 8.044 -0.286 -4.249 1.00 0.00 C ATOM 913 C LEU R 73 6.799 -0.176 -3.365 1.00 0.00 C ATOM 914 O LEU R 73 6.741 -0.763 -2.304 1.00 0.00 O ATOM 915 CB LEU R 73 7.855 -1.415 -5.264 1.00 0.00 C ATOM 916 CG LEU R 73 9.165 -1.642 -6.022 1.00 0.00 C ATOM 917 CD1 LEU R 73 9.030 -2.876 -6.915 1.00 0.00 C ATOM 918 CD2 LEU R 73 9.474 -0.417 -6.885 1.00 0.00 C ATOM 0 H LEU R 73 9.672 -1.482 -3.561 1.00 0.00 H new ATOM 0 HA LEU R 73 8.197 0.654 -4.779 1.00 0.00 H new ATOM 0 HB2 LEU R 73 7.554 -2.330 -4.754 1.00 0.00 H new ATOM 0 HB3 LEU R 73 7.057 -1.161 -5.962 1.00 0.00 H new ATOM 0 HG LEU R 73 9.975 -1.797 -5.310 1.00 0.00 H new ATOM 0 HD11 LEU R 73 9.963 -3.038 -7.455 1.00 0.00 H new ATOM 0 HD12 LEU R 73 8.811 -3.748 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU R 73 8.220 -2.722 -7.628 1.00 0.00 H new ATOM 0 HD21 LEU R 73 10.407 -0.578 -7.425 1.00 0.00 H new ATOM 0 HD22 LEU R 73 8.664 -0.261 -7.598 1.00 0.00 H new ATOM 0 HD23 LEU R 73 9.571 0.462 -6.248 1.00 0.00 H new ATOM 930 N PRO R 74 5.834 0.575 -3.835 1.00 0.00 N ATOM 931 CA PRO R 74 4.573 0.781 -3.105 1.00 0.00 C ATOM 932 C PRO R 74 3.788 -0.536 -3.030 1.00 0.00 C ATOM 933 O PRO R 74 3.807 -1.316 -3.961 1.00 0.00 O ATOM 934 CB PRO R 74 3.811 1.821 -3.928 1.00 0.00 C ATOM 935 CG PRO R 74 4.623 2.088 -5.222 1.00 0.00 C ATOM 936 CD PRO R 74 5.926 1.277 -5.127 1.00 0.00 C ATOM 0 HA PRO R 74 4.732 1.112 -2.079 1.00 0.00 H new ATOM 0 HB2 PRO R 74 2.812 1.459 -4.172 1.00 0.00 H new ATOM 0 HB3 PRO R 74 3.686 2.742 -3.359 1.00 0.00 H new ATOM 0 HG2 PRO R 74 4.051 1.792 -6.101 1.00 0.00 H new ATOM 0 HG3 PRO R 74 4.840 3.151 -5.326 1.00 0.00 H new ATOM 0 HD2 PRO R 74 6.016 0.574 -5.955 1.00 0.00 H new ATOM 0 HD3 PRO R 74 6.801 1.926 -5.164 1.00 0.00 H new ATOM 944 N PRO R 75 3.120 -0.741 -1.923 1.00 0.00 N ATOM 945 CA PRO R 75 2.320 -1.959 -1.705 1.00 0.00 C ATOM 946 C PRO R 75 1.235 -2.084 -2.779 1.00 0.00 C ATOM 947 O PRO R 75 0.372 -1.238 -2.906 1.00 0.00 O ATOM 948 CB PRO R 75 1.689 -1.773 -0.319 1.00 0.00 C ATOM 949 CG PRO R 75 2.186 -0.417 0.247 1.00 0.00 C ATOM 950 CD PRO R 75 3.105 0.220 -0.805 1.00 0.00 C ATOM 0 HA PRO R 75 2.923 -2.865 -1.762 1.00 0.00 H new ATOM 0 HB2 PRO R 75 0.601 -1.782 -0.390 1.00 0.00 H new ATOM 0 HB3 PRO R 75 1.973 -2.591 0.343 1.00 0.00 H new ATOM 0 HG2 PRO R 75 1.343 0.238 0.465 1.00 0.00 H new ATOM 0 HG3 PRO R 75 2.723 -0.567 1.183 1.00 0.00 H new ATOM 0 HD2 PRO R 75 2.728 1.192 -1.124 1.00 0.00 H new ATOM 0 HD3 PRO R 75 4.107 0.382 -0.409 1.00 0.00 H new ATOM 958 N LEU R 76 1.275 -3.135 -3.553 1.00 0.00 N ATOM 959 CA LEU R 76 0.248 -3.317 -4.617 1.00 0.00 C ATOM 960 C LEU R 76 -1.066 -3.772 -3.976 1.00 0.00 C ATOM 961 O LEU R 76 -1.069 -4.272 -2.869 1.00 0.00 O ATOM 962 CB LEU R 76 0.727 -4.378 -5.610 1.00 0.00 C ATOM 963 CG LEU R 76 1.910 -3.831 -6.411 1.00 0.00 C ATOM 964 CD1 LEU R 76 3.033 -4.869 -6.435 1.00 0.00 C ATOM 965 CD2 LEU R 76 1.461 -3.533 -7.842 1.00 0.00 C ATOM 0 H LEU R 76 1.975 -3.875 -3.494 1.00 0.00 H new ATOM 0 HA LEU R 76 0.092 -2.375 -5.142 1.00 0.00 H new ATOM 0 HB2 LEU R 76 1.022 -5.282 -5.078 1.00 0.00 H new ATOM 0 HB3 LEU R 76 -0.085 -4.654 -6.283 1.00 0.00 H new ATOM 0 HG LEU R 76 2.272 -2.915 -5.945 1.00 0.00 H new ATOM 0 HD11 LEU R 76 3.876 -4.480 -7.006 1.00 0.00 H new ATOM 0 HD12 LEU R 76 3.353 -5.083 -5.415 1.00 0.00 H new ATOM 0 HD13 LEU R 76 2.671 -5.785 -6.901 1.00 0.00 H new ATOM 0 HD21 LEU R 76 2.303 -3.143 -8.414 1.00 0.00 H new ATOM 0 HD22 LEU R 76 1.099 -4.449 -8.308 1.00 0.00 H new ATOM 0 HD23 LEU R 76 0.660 -2.794 -7.826 1.00 0.00 H new