USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 675 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 Single : A 2 SER OG : rot 25:sc= 0.079 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= -0.142 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0.0216 X(o=0.022,f=-0.32) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.0476 USER MOD Single : A 19 MET CE :methyl -137:sc= -1.35 (180deg=-4.54!) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 CYS SG : rot 55:sc= 0.0206 USER MOD Single : A 30 TYR OH : rot -15:sc= 1.2 USER MOD Single : A 31 LYS NZ :NH3+ -141:sc= -0.027 (180deg=-1.72!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -2.09 K(o=-2.1,f=-4.8!) USER MOD Single : A 37 THR OG1 : rot 77:sc= 1.26 USER MOD Single : A 41 CYS SG : rot 77:sc= 0.974 USER MOD Single : A 42 ASN :FLIP amide:sc= 0.339 F(o=-0.25,f=0.34) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc=-0.00644 (180deg=-0.132) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 52 GLN :FLIP amide:sc= -0.507 F(o=-3.1!,f=-0.51) USER MOD Single : A 54 LYS NZ :NH3+ 161:sc= -0.0906 (180deg=-0.474) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.2) USER MOD Single : A 66 MET CE :methyl 171:sc= -5.76! (180deg=-6.5!) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 160:sc= -0.108 USER MOD Single : A 72 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.122) USER MOD Single : A 75 TYR OH : rot -130:sc= -0.875 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0.00416 USER MOD Single : A 88 ASN : amide:sc= 0.928 K(o=0.93,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 4.002 -0.831 -1.532 1.00 64.32 N ATOM 19 CA SER A 2 5.160 -1.715 -1.456 1.00 1.41 C ATOM 20 C SER A 2 6.412 -1.016 -1.978 1.00 72.02 C ATOM 21 O SER A 2 7.533 -1.380 -1.623 1.00 54.33 O ATOM 22 CB SER A 2 4.905 -2.994 -2.255 1.00 24.21 C ATOM 23 OG SER A 2 3.746 -3.664 -1.790 1.00 3.33 O ATOM 0 HA SER A 2 5.320 -1.975 -0.410 1.00 1.41 H new ATOM 0 HB2 SER A 2 4.788 -2.750 -3.311 1.00 24.21 H new ATOM 0 HB3 SER A 2 5.768 -3.655 -2.174 1.00 24.21 H new ATOM 0 HG SER A 2 3.146 -3.019 -1.360 1.00 3.33 H new ATOM 29 N ALA A 3 6.211 -0.011 -2.824 1.00 3.42 N ATOM 30 CA ALA A 3 7.322 0.741 -3.394 1.00 43.02 C ATOM 31 C ALA A 3 8.256 1.254 -2.303 1.00 30.31 C ATOM 32 O ALA A 3 9.476 1.265 -2.471 1.00 34.42 O ATOM 33 CB ALA A 3 6.801 1.899 -4.232 1.00 62.14 C ATOM 0 H ALA A 3 5.289 0.301 -3.130 1.00 3.42 H new ATOM 0 HA ALA A 3 7.891 0.069 -4.036 1.00 43.02 H new ATOM 0 HB1 ALA A 3 7.642 2.452 -4.651 1.00 62.14 H new ATOM 0 HB2 ALA A 3 6.181 1.513 -5.041 1.00 62.14 H new ATOM 0 HB3 ALA A 3 6.207 2.563 -3.605 1.00 62.14 H new ATOM 39 N ASP A 4 7.676 1.678 -1.186 1.00 12.02 N ATOM 40 CA ASP A 4 8.456 2.192 -0.066 1.00 64.13 C ATOM 41 C ASP A 4 9.148 1.056 0.681 1.00 72.21 C ATOM 42 O ASP A 4 10.180 1.258 1.320 1.00 2.15 O ATOM 43 CB ASP A 4 7.559 2.977 0.891 1.00 33.14 C ATOM 44 CG ASP A 4 7.330 2.247 2.200 1.00 24.13 C ATOM 45 OD1 ASP A 4 8.246 2.251 3.049 1.00 63.21 O ATOM 46 OD2 ASP A 4 6.236 1.671 2.376 1.00 70.01 O ATOM 0 H ASP A 4 6.668 1.676 -1.032 1.00 12.02 H new ATOM 0 HA ASP A 4 9.220 2.860 -0.464 1.00 64.13 H new ATOM 0 HB2 ASP A 4 8.011 3.948 1.094 1.00 33.14 H new ATOM 0 HB3 ASP A 4 6.599 3.167 0.411 1.00 33.14 H new ATOM 51 N ASP A 5 8.571 -0.138 0.596 1.00 4.04 N ATOM 52 CA ASP A 5 9.132 -1.307 1.265 1.00 40.25 C ATOM 53 C ASP A 5 10.256 -1.920 0.435 1.00 4.53 C ATOM 54 O ASP A 5 10.877 -2.902 0.842 1.00 73.45 O ATOM 55 CB ASP A 5 8.041 -2.349 1.516 1.00 2.24 C ATOM 56 CG ASP A 5 7.088 -1.934 2.620 1.00 22.12 C ATOM 57 OD1 ASP A 5 7.071 -0.735 2.969 1.00 30.43 O ATOM 58 OD2 ASP A 5 6.360 -2.808 3.136 1.00 63.53 O ATOM 0 H ASP A 5 7.716 -0.322 0.071 1.00 4.04 H new ATOM 0 HA ASP A 5 9.544 -0.985 2.221 1.00 40.25 H new ATOM 0 HB2 ASP A 5 7.479 -2.511 0.596 1.00 2.24 H new ATOM 0 HB3 ASP A 5 8.504 -3.300 1.778 1.00 2.24 H new ATOM 63 N PHE A 6 10.513 -1.333 -0.729 1.00 61.12 N ATOM 64 CA PHE A 6 11.561 -1.822 -1.617 1.00 24.40 C ATOM 65 C PHE A 6 12.883 -1.969 -0.869 1.00 2.12 C ATOM 66 O PHE A 6 13.720 -2.801 -1.222 1.00 14.45 O ATOM 67 CB PHE A 6 11.737 -0.874 -2.805 1.00 20.12 C ATOM 68 CG PHE A 6 12.577 0.331 -2.491 1.00 22.33 C ATOM 69 CD1 PHE A 6 12.190 1.223 -1.504 1.00 43.42 C ATOM 70 CD2 PHE A 6 13.754 0.570 -3.182 1.00 1.24 C ATOM 71 CE1 PHE A 6 12.961 2.333 -1.214 1.00 3.21 C ATOM 72 CE2 PHE A 6 14.529 1.678 -2.895 1.00 44.24 C ATOM 73 CZ PHE A 6 14.133 2.560 -1.909 1.00 52.25 C ATOM 0 H PHE A 6 10.010 -0.518 -1.079 1.00 61.12 H new ATOM 0 HA PHE A 6 11.261 -2.803 -1.986 1.00 24.40 H new ATOM 0 HB2 PHE A 6 12.193 -1.420 -3.631 1.00 20.12 H new ATOM 0 HB3 PHE A 6 10.755 -0.544 -3.145 1.00 20.12 H new ATOM 0 HD1 PHE A 6 11.276 1.049 -0.955 1.00 43.42 H new ATOM 0 HD2 PHE A 6 14.069 -0.117 -3.953 1.00 1.24 H new ATOM 0 HE1 PHE A 6 12.647 3.023 -0.444 1.00 3.21 H new ATOM 0 HE2 PHE A 6 15.444 1.854 -3.442 1.00 44.24 H new ATOM 0 HZ PHE A 6 14.738 3.425 -1.682 1.00 52.25 H new ATOM 83 N ASP A 7 13.064 -1.155 0.165 1.00 0.31 N ATOM 84 CA ASP A 7 14.283 -1.193 0.964 1.00 3.13 C ATOM 85 C ASP A 7 14.509 -2.585 1.545 1.00 61.41 C ATOM 86 O ASP A 7 15.559 -3.192 1.338 1.00 64.24 O ATOM 87 CB ASP A 7 14.212 -0.162 2.092 1.00 72.11 C ATOM 88 CG ASP A 7 14.877 1.149 1.721 1.00 72.11 C ATOM 89 OD1 ASP A 7 15.893 1.114 0.996 1.00 21.14 O ATOM 90 OD2 ASP A 7 14.381 2.210 2.156 1.00 63.23 O ATOM 0 H ASP A 7 12.382 -0.461 0.470 1.00 0.31 H new ATOM 0 HA ASP A 7 15.122 -0.950 0.312 1.00 3.13 H new ATOM 0 HB2 ASP A 7 13.168 0.023 2.346 1.00 72.11 H new ATOM 0 HB3 ASP A 7 14.690 -0.569 2.983 1.00 72.11 H new ATOM 95 N ALA A 8 13.516 -3.085 2.274 1.00 64.23 N ATOM 96 CA ALA A 8 13.606 -4.406 2.883 1.00 24.14 C ATOM 97 C ALA A 8 13.823 -5.485 1.827 1.00 0.44 C ATOM 98 O ALA A 8 14.332 -6.565 2.125 1.00 1.32 O ATOM 99 CB ALA A 8 12.352 -4.701 3.692 1.00 54.21 C ATOM 0 H ALA A 8 12.640 -2.595 2.457 1.00 64.23 H new ATOM 0 HA ALA A 8 14.466 -4.412 3.552 1.00 24.14 H new ATOM 0 HB1 ALA A 8 12.433 -5.691 4.141 1.00 54.21 H new ATOM 0 HB2 ALA A 8 12.242 -3.954 4.478 1.00 54.21 H new ATOM 0 HB3 ALA A 8 11.481 -4.670 3.037 1.00 54.21 H new ATOM 105 N ALA A 9 13.433 -5.185 0.593 1.00 15.40 N ATOM 106 CA ALA A 9 13.585 -6.128 -0.507 1.00 64.32 C ATOM 107 C ALA A 9 15.011 -6.115 -1.048 1.00 24.25 C ATOM 108 O ALA A 9 15.631 -7.165 -1.217 1.00 25.20 O ATOM 109 CB ALA A 9 12.595 -5.809 -1.618 1.00 23.44 C ATOM 0 H ALA A 9 13.009 -4.295 0.330 1.00 15.40 H new ATOM 0 HA ALA A 9 13.377 -7.128 -0.126 1.00 64.32 H new ATOM 0 HB1 ALA A 9 12.720 -6.522 -2.433 1.00 23.44 H new ATOM 0 HB2 ALA A 9 11.579 -5.877 -1.230 1.00 23.44 H new ATOM 0 HB3 ALA A 9 12.776 -4.800 -1.988 1.00 23.44 H new ATOM 115 N VAL A 10 15.526 -4.920 -1.317 1.00 42.33 N ATOM 116 CA VAL A 10 16.880 -4.770 -1.838 1.00 73.13 C ATOM 117 C VAL A 10 17.911 -5.310 -0.853 1.00 55.42 C ATOM 118 O VAL A 10 18.966 -5.803 -1.250 1.00 62.40 O ATOM 119 CB VAL A 10 17.203 -3.296 -2.147 1.00 34.04 C ATOM 120 CG1 VAL A 10 18.522 -3.184 -2.895 1.00 52.54 C ATOM 121 CG2 VAL A 10 16.073 -2.658 -2.941 1.00 70.54 C ATOM 0 H VAL A 10 15.026 -4.041 -1.183 1.00 42.33 H new ATOM 0 HA VAL A 10 16.929 -5.346 -2.762 1.00 73.13 H new ATOM 0 HB VAL A 10 17.302 -2.758 -1.204 1.00 34.04 H new ATOM 0 HG11 VAL A 10 18.734 -2.135 -3.105 1.00 52.54 H new ATOM 0 HG12 VAL A 10 19.323 -3.601 -2.284 1.00 52.54 H new ATOM 0 HG13 VAL A 10 18.456 -3.735 -3.833 1.00 52.54 H new ATOM 0 HG21 VAL A 10 16.318 -1.617 -3.150 1.00 70.54 H new ATOM 0 HG22 VAL A 10 15.940 -3.195 -3.880 1.00 70.54 H new ATOM 0 HG23 VAL A 10 15.150 -2.704 -2.362 1.00 70.54 H new ATOM 131 N LYS A 11 17.598 -5.212 0.434 1.00 34.55 N ATOM 132 CA LYS A 11 18.495 -5.692 1.479 1.00 60.03 C ATOM 133 C LYS A 11 18.492 -7.216 1.541 1.00 30.12 C ATOM 134 O LYS A 11 19.487 -7.833 1.921 1.00 22.41 O ATOM 135 CB LYS A 11 18.086 -5.115 2.836 1.00 44.42 C ATOM 136 CG LYS A 11 18.556 -3.687 3.056 1.00 51.04 C ATOM 137 CD LYS A 11 20.017 -3.638 3.470 1.00 31.15 C ATOM 138 CE LYS A 11 20.737 -2.458 2.837 1.00 40.33 C ATOM 139 NZ LYS A 11 20.711 -1.255 3.715 1.00 73.41 N ATOM 0 H LYS A 11 16.729 -4.804 0.779 1.00 34.55 H new ATOM 0 HA LYS A 11 19.504 -5.358 1.238 1.00 60.03 H new ATOM 0 HB2 LYS A 11 17.000 -5.149 2.923 1.00 44.42 H new ATOM 0 HB3 LYS A 11 18.489 -5.747 3.627 1.00 44.42 H new ATOM 0 HG2 LYS A 11 18.417 -3.112 2.140 1.00 51.04 H new ATOM 0 HG3 LYS A 11 17.943 -3.216 3.824 1.00 51.04 H new ATOM 0 HD2 LYS A 11 20.086 -3.568 4.556 1.00 31.15 H new ATOM 0 HD3 LYS A 11 20.510 -4.565 3.178 1.00 31.15 H new ATOM 0 HE2 LYS A 11 21.771 -2.733 2.629 1.00 40.33 H new ATOM 0 HE3 LYS A 11 20.272 -2.219 1.881 1.00 40.33 H new ATOM 0 HZ1 LYS A 11 21.212 -0.473 3.247 1.00 73.41 H new ATOM 0 HZ2 LYS A 11 19.725 -0.977 3.893 1.00 73.41 H new ATOM 0 HZ3 LYS A 11 21.178 -1.474 4.618 1.00 73.41 H new ATOM 153 N TYR A 12 17.369 -7.817 1.165 1.00 55.41 N ATOM 154 CA TYR A 12 17.236 -9.269 1.179 1.00 3.42 C ATOM 155 C TYR A 12 17.895 -9.888 -0.050 1.00 2.23 C ATOM 156 O TYR A 12 18.321 -11.043 -0.025 1.00 1.41 O ATOM 157 CB TYR A 12 15.760 -9.667 1.235 1.00 4.24 C ATOM 158 CG TYR A 12 15.520 -11.007 1.892 1.00 75.42 C ATOM 159 CD1 TYR A 12 15.866 -12.190 1.250 1.00 55.23 C ATOM 160 CD2 TYR A 12 14.947 -11.091 3.155 1.00 74.30 C ATOM 161 CE1 TYR A 12 15.646 -13.417 1.845 1.00 4.35 C ATOM 162 CE2 TYR A 12 14.725 -12.314 3.759 1.00 1.21 C ATOM 163 CZ TYR A 12 15.076 -13.474 3.100 1.00 2.42 C ATOM 164 OH TYR A 12 14.858 -14.694 3.698 1.00 53.24 O ATOM 0 H TYR A 12 16.537 -7.321 0.846 1.00 55.41 H new ATOM 0 HA TYR A 12 17.741 -9.646 2.069 1.00 3.42 H new ATOM 0 HB2 TYR A 12 15.206 -8.901 1.778 1.00 4.24 H new ATOM 0 HB3 TYR A 12 15.360 -9.692 0.221 1.00 4.24 H new ATOM 0 HD1 TYR A 12 16.315 -12.149 0.269 1.00 55.23 H new ATOM 0 HD2 TYR A 12 14.670 -10.185 3.674 1.00 74.30 H new ATOM 0 HE1 TYR A 12 15.919 -14.327 1.331 1.00 4.35 H new ATOM 0 HE2 TYR A 12 14.279 -12.361 4.742 1.00 1.21 H new ATOM 0 HH TYR A 12 14.451 -14.558 4.579 1.00 53.24 H new ATOM 174 N VAL A 13 17.976 -9.110 -1.125 1.00 30.23 N ATOM 175 CA VAL A 13 18.584 -9.580 -2.364 1.00 3.41 C ATOM 176 C VAL A 13 20.060 -9.202 -2.429 1.00 52.33 C ATOM 177 O VAL A 13 20.871 -9.923 -3.009 1.00 72.45 O ATOM 178 CB VAL A 13 17.863 -9.003 -3.597 1.00 31.43 C ATOM 179 CG1 VAL A 13 18.646 -9.308 -4.865 1.00 30.14 C ATOM 180 CG2 VAL A 13 16.447 -9.552 -3.690 1.00 21.22 C ATOM 0 H VAL A 13 17.628 -8.152 -1.163 1.00 30.23 H new ATOM 0 HA VAL A 13 18.489 -10.666 -2.372 1.00 3.41 H new ATOM 0 HB VAL A 13 17.803 -7.920 -3.488 1.00 31.43 H new ATOM 0 HG11 VAL A 13 18.121 -8.893 -5.725 1.00 30.14 H new ATOM 0 HG12 VAL A 13 19.639 -8.863 -4.796 1.00 30.14 H new ATOM 0 HG13 VAL A 13 18.740 -10.387 -4.984 1.00 30.14 H new ATOM 0 HG21 VAL A 13 15.952 -9.134 -4.567 1.00 21.22 H new ATOM 0 HG22 VAL A 13 16.483 -10.638 -3.776 1.00 21.22 H new ATOM 0 HG23 VAL A 13 15.891 -9.278 -2.794 1.00 21.22 H new ATOM 190 N SER A 14 20.401 -8.066 -1.830 1.00 2.41 N ATOM 191 CA SER A 14 21.779 -7.589 -1.823 1.00 24.24 C ATOM 192 C SER A 14 22.631 -8.405 -0.855 1.00 10.25 C ATOM 193 O SER A 14 23.795 -8.695 -1.128 1.00 12.14 O ATOM 194 CB SER A 14 21.828 -6.109 -1.439 1.00 54.14 C ATOM 195 OG SER A 14 23.155 -5.614 -1.482 1.00 72.01 O ATOM 0 H SER A 14 19.742 -7.459 -1.343 1.00 2.41 H new ATOM 0 HA SER A 14 22.184 -7.710 -2.828 1.00 24.24 H new ATOM 0 HB2 SER A 14 21.200 -5.533 -2.118 1.00 54.14 H new ATOM 0 HB3 SER A 14 21.419 -5.976 -0.437 1.00 54.14 H new ATOM 0 HG SER A 14 23.159 -4.666 -1.234 1.00 72.01 H new ATOM 201 N ASN A 15 22.041 -8.771 0.278 1.00 34.55 N ATOM 202 CA ASN A 15 22.744 -9.553 1.289 1.00 63.33 C ATOM 203 C ASN A 15 22.571 -11.048 1.038 1.00 34.21 C ATOM 204 O ASN A 15 23.538 -11.810 1.060 1.00 1.12 O ATOM 205 CB ASN A 15 22.234 -9.196 2.686 1.00 23.44 C ATOM 206 CG ASN A 15 22.634 -7.796 3.107 1.00 2.55 C ATOM 207 OD1 ASN A 15 23.780 -7.384 2.926 1.00 23.21 O ATOM 208 ND2 ASN A 15 21.688 -7.055 3.674 1.00 61.34 N ATOM 0 H ASN A 15 21.078 -8.539 0.519 1.00 34.55 H new ATOM 0 HA ASN A 15 23.805 -9.313 1.225 1.00 63.33 H new ATOM 0 HB2 ASN A 15 21.148 -9.282 2.706 1.00 23.44 H new ATOM 0 HB3 ASN A 15 22.624 -9.915 3.407 1.00 23.44 H new ATOM 0 HD21 ASN A 15 21.899 -6.105 3.979 1.00 61.34 H new ATOM 0 HD22 ASN A 15 20.751 -7.437 3.805 1.00 61.34 H new ATOM 215 N THR A 16 21.330 -11.462 0.799 1.00 21.50 N ATOM 216 CA THR A 16 21.029 -12.865 0.545 1.00 75.53 C ATOM 217 C THR A 16 20.769 -13.112 -0.937 1.00 62.21 C ATOM 218 O THR A 16 19.809 -12.591 -1.506 1.00 30.53 O ATOM 219 CB THR A 16 19.803 -13.332 1.353 1.00 24.33 C ATOM 220 OG1 THR A 16 20.221 -13.842 2.625 1.00 71.24 O ATOM 221 CG2 THR A 16 19.034 -14.406 0.599 1.00 51.24 C ATOM 0 H THR A 16 20.518 -10.845 0.776 1.00 21.50 H new ATOM 0 HA THR A 16 21.902 -13.437 0.859 1.00 75.53 H new ATOM 0 HB THR A 16 19.146 -12.475 1.502 1.00 24.33 H new ATOM 0 HG1 THR A 16 19.436 -14.135 3.134 1.00 71.24 H new ATOM 0 HG21 THR A 16 18.173 -14.720 1.190 1.00 51.24 H new ATOM 0 HG22 THR A 16 18.693 -14.006 -0.356 1.00 51.24 H new ATOM 0 HG23 THR A 16 19.684 -15.263 0.422 1.00 51.24 H new ATOM 229 N THR A 17 21.631 -13.911 -1.559 1.00 41.11 N ATOM 230 CA THR A 17 21.495 -14.227 -2.975 1.00 44.54 C ATOM 231 C THR A 17 21.667 -15.721 -3.225 1.00 4.53 C ATOM 232 O THR A 17 21.700 -16.170 -4.371 1.00 34.22 O ATOM 233 CB THR A 17 22.523 -13.454 -3.824 1.00 61.31 C ATOM 234 OG1 THR A 17 23.620 -13.036 -3.004 1.00 41.02 O ATOM 235 CG2 THR A 17 21.881 -12.241 -4.479 1.00 43.42 C ATOM 0 H THR A 17 22.431 -14.351 -1.104 1.00 41.11 H new ATOM 0 HA THR A 17 20.490 -13.926 -3.271 1.00 44.54 H new ATOM 0 HB THR A 17 22.888 -14.119 -4.607 1.00 61.31 H new ATOM 0 HG1 THR A 17 24.270 -12.547 -3.551 1.00 41.02 H new ATOM 0 HG21 THR A 17 22.626 -11.711 -5.073 1.00 43.42 H new ATOM 0 HG22 THR A 17 21.065 -12.565 -5.125 1.00 43.42 H new ATOM 0 HG23 THR A 17 21.491 -11.576 -3.709 1.00 43.42 H new ATOM 243 N THR A 18 21.777 -16.487 -2.144 1.00 62.43 N ATOM 244 CA THR A 18 21.946 -17.931 -2.246 1.00 24.41 C ATOM 245 C THR A 18 20.608 -18.628 -2.465 1.00 42.31 C ATOM 246 O THR A 18 20.561 -19.807 -2.814 1.00 5.04 O ATOM 247 CB THR A 18 22.612 -18.509 -0.983 1.00 21.32 C ATOM 248 OG1 THR A 18 22.124 -17.833 0.181 1.00 31.23 O ATOM 249 CG2 THR A 18 24.125 -18.372 -1.058 1.00 23.43 C ATOM 0 H THR A 18 21.752 -16.131 -1.188 1.00 62.43 H new ATOM 0 HA THR A 18 22.592 -18.113 -3.105 1.00 24.41 H new ATOM 0 HB THR A 18 22.362 -19.568 -0.919 1.00 21.32 H new ATOM 0 HG1 THR A 18 22.551 -18.207 0.980 1.00 31.23 H new ATOM 0 HG21 THR A 18 24.573 -18.787 -0.155 1.00 23.43 H new ATOM 0 HG22 THR A 18 24.497 -18.912 -1.929 1.00 23.43 H new ATOM 0 HG23 THR A 18 24.391 -17.318 -1.144 1.00 23.43 H new ATOM 257 N MET A 19 19.522 -17.890 -2.259 1.00 70.23 N ATOM 258 CA MET A 19 18.182 -18.438 -2.437 1.00 1.32 C ATOM 259 C MET A 19 18.035 -19.080 -3.812 1.00 62.44 C ATOM 260 O MET A 19 18.811 -18.798 -4.725 1.00 71.32 O ATOM 261 CB MET A 19 17.132 -17.340 -2.259 1.00 54.22 C ATOM 262 CG MET A 19 17.157 -16.291 -3.359 1.00 74.13 C ATOM 263 SD MET A 19 17.566 -14.647 -2.742 1.00 52.15 S ATOM 264 CE MET A 19 17.482 -13.688 -4.253 1.00 61.10 C ATOM 0 H MET A 19 19.543 -16.912 -1.969 1.00 70.23 H new ATOM 0 HA MET A 19 18.027 -19.206 -1.679 1.00 1.32 H new ATOM 0 HB2 MET A 19 16.143 -17.797 -2.226 1.00 54.22 H new ATOM 0 HB3 MET A 19 17.289 -16.851 -1.298 1.00 54.22 H new ATOM 0 HG2 MET A 19 17.885 -16.582 -4.117 1.00 74.13 H new ATOM 0 HG3 MET A 19 16.183 -16.259 -3.848 1.00 74.13 H new ATOM 0 HE1 MET A 19 18.325 -12.998 -4.293 1.00 61.10 H new ATOM 0 HE2 MET A 19 17.520 -14.358 -5.112 1.00 61.10 H new ATOM 0 HE3 MET A 19 16.550 -13.124 -4.274 1.00 61.10 H new ATOM 274 N MET A 20 17.036 -19.945 -3.953 1.00 30.20 N ATOM 275 CA MET A 20 16.788 -20.627 -5.218 1.00 50.21 C ATOM 276 C MET A 20 16.351 -19.636 -6.293 1.00 34.34 C ATOM 277 O MET A 20 15.181 -19.259 -6.363 1.00 64.10 O ATOM 278 CB MET A 20 15.720 -21.707 -5.039 1.00 60.50 C ATOM 279 CG MET A 20 14.461 -21.209 -4.348 1.00 70.13 C ATOM 280 SD MET A 20 12.967 -21.542 -5.302 1.00 4.00 S ATOM 281 CE MET A 20 12.557 -23.187 -4.725 1.00 61.32 C ATOM 0 H MET A 20 16.385 -20.190 -3.207 1.00 30.20 H new ATOM 0 HA MET A 20 17.718 -21.096 -5.538 1.00 50.21 H new ATOM 0 HB2 MET A 20 15.453 -22.108 -6.017 1.00 60.50 H new ATOM 0 HB3 MET A 20 16.141 -22.530 -4.461 1.00 60.50 H new ATOM 0 HG2 MET A 20 14.376 -21.683 -3.370 1.00 70.13 H new ATOM 0 HG3 MET A 20 14.546 -20.136 -4.176 1.00 70.13 H new ATOM 0 HE1 MET A 20 11.652 -23.533 -5.225 1.00 61.32 H new ATOM 0 HE2 MET A 20 13.379 -23.867 -4.950 1.00 61.32 H new ATOM 0 HE3 MET A 20 12.390 -23.164 -3.648 1.00 61.32 H new ATOM 291 N ALA A 21 17.297 -19.219 -7.127 1.00 1.10 N ATOM 292 CA ALA A 21 17.008 -18.274 -8.198 1.00 44.14 C ATOM 293 C ALA A 21 17.532 -18.784 -9.537 1.00 33.54 C ATOM 294 O ALA A 21 18.445 -19.608 -9.583 1.00 63.22 O ATOM 295 CB ALA A 21 17.610 -16.913 -7.879 1.00 20.54 C ATOM 0 H ALA A 21 18.270 -19.521 -7.082 1.00 1.10 H new ATOM 0 HA ALA A 21 15.926 -18.172 -8.275 1.00 44.14 H new ATOM 0 HB1 ALA A 21 17.386 -16.217 -8.688 1.00 20.54 H new ATOM 0 HB2 ALA A 21 17.185 -16.536 -6.948 1.00 20.54 H new ATOM 0 HB3 ALA A 21 18.690 -17.009 -7.772 1.00 20.54 H new ATOM 301 N SER A 22 16.946 -18.291 -10.623 1.00 44.31 N ATOM 302 CA SER A 22 17.351 -18.701 -11.963 1.00 0.23 C ATOM 303 C SER A 22 18.110 -17.581 -12.668 1.00 15.51 C ATOM 304 O SER A 22 18.030 -16.418 -12.273 1.00 71.21 O ATOM 305 CB SER A 22 16.127 -19.101 -12.788 1.00 33.30 C ATOM 306 OG SER A 22 15.180 -19.794 -11.993 1.00 21.21 O ATOM 0 H SER A 22 16.189 -17.607 -10.602 1.00 44.31 H new ATOM 0 HA SER A 22 18.014 -19.561 -11.868 1.00 0.23 H new ATOM 0 HB2 SER A 22 15.666 -18.211 -13.215 1.00 33.30 H new ATOM 0 HB3 SER A 22 16.437 -19.731 -13.622 1.00 33.30 H new ATOM 0 HG SER A 22 14.406 -20.037 -12.543 1.00 21.21 H new ATOM 312 N ASN A 23 18.845 -17.940 -13.714 1.00 65.45 N ATOM 313 CA ASN A 23 19.620 -16.966 -14.476 1.00 34.54 C ATOM 314 C ASN A 23 18.721 -15.854 -15.008 1.00 64.11 C ATOM 315 O ASN A 23 19.182 -14.743 -15.271 1.00 72.04 O ATOM 316 CB ASN A 23 20.342 -17.653 -15.636 1.00 64.22 C ATOM 317 CG ASN A 23 21.489 -18.527 -15.167 1.00 25.12 C ATOM 318 OD1 ASN A 23 21.340 -19.740 -15.020 1.00 23.25 O ATOM 319 ND2 ASN A 23 22.642 -17.912 -14.929 1.00 64.53 N ATOM 0 H ASN A 23 18.921 -18.898 -14.055 1.00 65.45 H new ATOM 0 HA ASN A 23 20.359 -16.524 -13.808 1.00 34.54 H new ATOM 0 HB2 ASN A 23 19.630 -18.261 -16.194 1.00 64.22 H new ATOM 0 HB3 ASN A 23 20.722 -16.897 -16.323 1.00 64.22 H new ATOM 0 HD21 ASN A 23 23.450 -18.448 -14.611 1.00 64.53 H new ATOM 0 HD22 ASN A 23 22.720 -16.904 -15.065 1.00 64.53 H new ATOM 326 N ASP A 24 17.438 -16.161 -15.163 1.00 43.24 N ATOM 327 CA ASP A 24 16.474 -15.187 -15.663 1.00 4.02 C ATOM 328 C ASP A 24 15.915 -14.342 -14.522 1.00 42.04 C ATOM 329 O ASP A 24 15.872 -13.115 -14.609 1.00 40.34 O ATOM 330 CB ASP A 24 15.334 -15.896 -16.396 1.00 2.35 C ATOM 331 CG ASP A 24 14.905 -15.159 -17.649 1.00 65.13 C ATOM 332 OD1 ASP A 24 15.244 -13.964 -17.780 1.00 34.32 O ATOM 333 OD2 ASP A 24 14.231 -15.777 -18.500 1.00 21.23 O ATOM 0 H ASP A 24 17.041 -17.076 -14.950 1.00 43.24 H new ATOM 0 HA ASP A 24 16.989 -14.527 -16.361 1.00 4.02 H new ATOM 0 HB2 ASP A 24 15.649 -16.905 -16.661 1.00 2.35 H new ATOM 0 HB3 ASP A 24 14.480 -15.994 -15.725 1.00 2.35 H new ATOM 338 N ASP A 25 15.487 -15.007 -13.455 1.00 63.00 N ATOM 339 CA ASP A 25 14.930 -14.317 -12.297 1.00 65.40 C ATOM 340 C ASP A 25 15.960 -13.377 -11.677 1.00 71.45 C ATOM 341 O ASP A 25 15.623 -12.285 -11.221 1.00 5.41 O ATOM 342 CB ASP A 25 14.453 -15.330 -11.254 1.00 44.25 C ATOM 343 CG ASP A 25 13.109 -14.959 -10.660 1.00 51.12 C ATOM 344 OD1 ASP A 25 13.024 -13.904 -9.998 1.00 23.04 O ATOM 345 OD2 ASP A 25 12.141 -15.724 -10.857 1.00 24.00 O ATOM 0 H ASP A 25 15.515 -16.023 -13.368 1.00 63.00 H new ATOM 0 HA ASP A 25 14.079 -13.724 -12.633 1.00 65.40 H new ATOM 0 HB2 ASP A 25 14.384 -16.316 -11.714 1.00 44.25 H new ATOM 0 HB3 ASP A 25 15.192 -15.401 -10.456 1.00 44.25 H new ATOM 350 N LYS A 26 17.216 -13.810 -11.664 1.00 61.10 N ATOM 351 CA LYS A 26 18.296 -13.008 -11.101 1.00 70.40 C ATOM 352 C LYS A 26 18.534 -11.753 -11.935 1.00 33.41 C ATOM 353 O LYS A 26 19.219 -10.827 -11.500 1.00 11.04 O ATOM 354 CB LYS A 26 19.583 -13.833 -11.022 1.00 41.53 C ATOM 355 CG LYS A 26 19.485 -15.026 -10.088 1.00 72.11 C ATOM 356 CD LYS A 26 20.533 -14.963 -8.990 1.00 0.51 C ATOM 357 CE LYS A 26 21.917 -15.303 -9.520 1.00 63.33 C ATOM 358 NZ LYS A 26 22.987 -14.950 -8.546 1.00 71.12 N ATOM 0 H LYS A 26 17.511 -14.712 -12.037 1.00 61.10 H new ATOM 0 HA LYS A 26 18.004 -12.704 -10.096 1.00 70.40 H new ATOM 0 HB2 LYS A 26 19.841 -14.185 -12.021 1.00 41.53 H new ATOM 0 HB3 LYS A 26 20.398 -13.189 -10.691 1.00 41.53 H new ATOM 0 HG2 LYS A 26 18.491 -15.059 -9.642 1.00 72.11 H new ATOM 0 HG3 LYS A 26 19.609 -15.947 -10.658 1.00 72.11 H new ATOM 0 HD2 LYS A 26 20.545 -13.964 -8.554 1.00 0.51 H new ATOM 0 HD3 LYS A 26 20.267 -15.656 -8.192 1.00 0.51 H new ATOM 0 HE2 LYS A 26 21.968 -16.368 -9.745 1.00 63.33 H new ATOM 0 HE3 LYS A 26 22.088 -14.771 -10.456 1.00 63.33 H new ATOM 0 HZ1 LYS A 26 23.915 -15.197 -8.945 1.00 71.12 H new ATOM 0 HZ2 LYS A 26 22.955 -13.929 -8.350 1.00 71.12 H new ATOM 0 HZ3 LYS A 26 22.839 -15.477 -7.662 1.00 71.12 H new ATOM 372 N LEU A 27 17.963 -11.729 -13.134 1.00 51.31 N ATOM 373 CA LEU A 27 18.111 -10.586 -14.029 1.00 24.12 C ATOM 374 C LEU A 27 16.949 -9.612 -13.866 1.00 75.42 C ATOM 375 O LEU A 27 16.973 -8.505 -14.405 1.00 21.20 O ATOM 376 CB LEU A 27 18.197 -11.058 -15.481 1.00 72.23 C ATOM 377 CG LEU A 27 18.566 -9.992 -16.513 1.00 41.11 C ATOM 378 CD1 LEU A 27 19.799 -10.412 -17.297 1.00 63.44 C ATOM 379 CD2 LEU A 27 17.398 -9.731 -17.452 1.00 75.34 C ATOM 0 H LEU A 27 17.393 -12.487 -13.509 1.00 51.31 H new ATOM 0 HA LEU A 27 19.034 -10.068 -13.767 1.00 24.12 H new ATOM 0 HB2 LEU A 27 18.933 -11.860 -15.538 1.00 72.23 H new ATOM 0 HB3 LEU A 27 17.235 -11.487 -15.760 1.00 72.23 H new ATOM 0 HG LEU A 27 18.795 -9.067 -15.984 1.00 41.11 H new ATOM 0 HD11 LEU A 27 20.046 -9.641 -18.027 1.00 63.44 H new ATOM 0 HD12 LEU A 27 20.637 -10.546 -16.613 1.00 63.44 H new ATOM 0 HD13 LEU A 27 19.599 -11.350 -17.814 1.00 63.44 H new ATOM 0 HD21 LEU A 27 17.679 -8.970 -18.180 1.00 75.34 H new ATOM 0 HD22 LEU A 27 17.137 -10.652 -17.973 1.00 75.34 H new ATOM 0 HD23 LEU A 27 16.539 -9.384 -16.877 1.00 75.34 H new ATOM 391 N CYS A 28 15.933 -10.031 -13.119 1.00 62.42 N ATOM 392 CA CYS A 28 14.761 -9.196 -12.884 1.00 41.41 C ATOM 393 C CYS A 28 15.060 -8.120 -11.845 1.00 32.35 C ATOM 394 O CYS A 28 14.762 -6.943 -12.050 1.00 63.42 O ATOM 395 CB CYS A 28 13.581 -10.053 -12.424 1.00 24.31 C ATOM 396 SG CYS A 28 12.959 -11.190 -13.685 1.00 10.03 S ATOM 0 H CYS A 28 15.898 -10.944 -12.666 1.00 62.42 H new ATOM 0 HA CYS A 28 14.500 -8.707 -13.823 1.00 41.41 H new ATOM 0 HB2 CYS A 28 13.883 -10.628 -11.549 1.00 24.31 H new ATOM 0 HB3 CYS A 28 12.770 -9.397 -12.110 1.00 24.31 H new ATOM 0 HG CYS A 28 13.934 -11.932 -14.119 1.00 10.03 H new ATOM 402 N PHE A 29 15.648 -8.533 -10.727 1.00 2.44 N ATOM 403 CA PHE A 29 15.985 -7.605 -9.653 1.00 31.01 C ATOM 404 C PHE A 29 17.069 -6.628 -10.099 1.00 14.55 C ATOM 405 O PHE A 29 17.318 -5.618 -9.440 1.00 11.42 O ATOM 406 CB PHE A 29 16.453 -8.373 -8.415 1.00 14.11 C ATOM 407 CG PHE A 29 17.941 -8.566 -8.356 1.00 70.12 C ATOM 408 CD1 PHE A 29 18.531 -9.681 -8.928 1.00 62.52 C ATOM 409 CD2 PHE A 29 18.750 -7.632 -7.728 1.00 72.53 C ATOM 410 CE1 PHE A 29 19.901 -9.862 -8.876 1.00 74.23 C ATOM 411 CE2 PHE A 29 20.120 -7.808 -7.674 1.00 14.43 C ATOM 412 CZ PHE A 29 20.696 -8.924 -8.247 1.00 74.42 C ATOM 0 H PHE A 29 15.901 -9.503 -10.541 1.00 2.44 H new ATOM 0 HA PHE A 29 15.089 -7.037 -9.403 1.00 31.01 H new ATOM 0 HB2 PHE A 29 16.128 -7.839 -7.522 1.00 14.11 H new ATOM 0 HB3 PHE A 29 15.967 -9.349 -8.397 1.00 14.11 H new ATOM 0 HD1 PHE A 29 17.914 -10.418 -9.420 1.00 62.52 H new ATOM 0 HD2 PHE A 29 18.305 -6.758 -7.276 1.00 72.53 H new ATOM 0 HE1 PHE A 29 20.349 -10.736 -9.327 1.00 74.23 H new ATOM 0 HE2 PHE A 29 20.740 -7.072 -7.183 1.00 14.43 H new ATOM 0 HZ PHE A 29 21.766 -9.063 -8.204 1.00 74.42 H new ATOM 422 N TYR A 30 17.710 -6.936 -11.220 1.00 54.34 N ATOM 423 CA TYR A 30 18.769 -6.087 -11.753 1.00 73.03 C ATOM 424 C TYR A 30 18.188 -4.954 -12.593 1.00 51.25 C ATOM 425 O TYR A 30 18.674 -3.823 -12.554 1.00 72.21 O ATOM 426 CB TYR A 30 19.740 -6.916 -12.596 1.00 55.21 C ATOM 427 CG TYR A 30 20.175 -6.228 -13.870 1.00 2.40 C ATOM 428 CD1 TYR A 30 19.435 -6.353 -15.039 1.00 35.41 C ATOM 429 CD2 TYR A 30 21.328 -5.452 -13.905 1.00 73.41 C ATOM 430 CE1 TYR A 30 19.829 -5.727 -16.205 1.00 70.14 C ATOM 431 CE2 TYR A 30 21.729 -4.821 -15.067 1.00 32.34 C ATOM 432 CZ TYR A 30 20.976 -4.962 -16.214 1.00 44.20 C ATOM 433 OH TYR A 30 21.373 -4.336 -17.373 1.00 45.14 O ATOM 0 H TYR A 30 17.515 -7.767 -11.778 1.00 54.34 H new ATOM 0 HA TYR A 30 19.309 -5.651 -10.912 1.00 73.03 H new ATOM 0 HB2 TYR A 30 20.622 -7.146 -11.998 1.00 55.21 H new ATOM 0 HB3 TYR A 30 19.269 -7.866 -12.849 1.00 55.21 H new ATOM 0 HD1 TYR A 30 18.535 -6.951 -15.036 1.00 35.41 H new ATOM 0 HD2 TYR A 30 21.920 -5.340 -13.009 1.00 73.41 H new ATOM 0 HE1 TYR A 30 19.242 -5.836 -17.105 1.00 70.14 H new ATOM 0 HE2 TYR A 30 22.627 -4.221 -15.077 1.00 32.34 H new ATOM 0 HH TYR A 30 20.888 -4.718 -18.134 1.00 45.14 H new ATOM 443 N LYS A 31 17.143 -5.265 -13.354 1.00 25.04 N ATOM 444 CA LYS A 31 16.493 -4.275 -14.203 1.00 55.30 C ATOM 445 C LYS A 31 15.596 -3.356 -13.379 1.00 4.20 C ATOM 446 O LYS A 31 15.301 -2.232 -13.787 1.00 32.24 O ATOM 447 CB LYS A 31 15.668 -4.968 -15.290 1.00 41.01 C ATOM 448 CG LYS A 31 14.683 -5.989 -14.748 1.00 51.00 C ATOM 449 CD LYS A 31 13.802 -6.554 -15.850 1.00 64.00 C ATOM 450 CE LYS A 31 12.417 -6.908 -15.331 1.00 2.54 C ATOM 451 NZ LYS A 31 11.528 -7.406 -16.416 1.00 41.55 N ATOM 0 H LYS A 31 16.729 -6.196 -13.399 1.00 25.04 H new ATOM 0 HA LYS A 31 17.269 -3.671 -14.673 1.00 55.30 H new ATOM 0 HB2 LYS A 31 15.122 -4.214 -15.856 1.00 41.01 H new ATOM 0 HB3 LYS A 31 16.344 -5.462 -15.988 1.00 41.01 H new ATOM 0 HG2 LYS A 31 15.227 -6.800 -14.265 1.00 51.00 H new ATOM 0 HG3 LYS A 31 14.059 -5.524 -13.984 1.00 51.00 H new ATOM 0 HD2 LYS A 31 13.714 -5.826 -16.656 1.00 64.00 H new ATOM 0 HD3 LYS A 31 14.271 -7.442 -16.273 1.00 64.00 H new ATOM 0 HE2 LYS A 31 12.504 -7.668 -14.555 1.00 2.54 H new ATOM 0 HE3 LYS A 31 11.967 -6.030 -14.868 1.00 2.54 H new ATOM 0 HZ1 LYS A 31 10.567 -7.034 -16.276 1.00 41.55 H new ATOM 0 HZ2 LYS A 31 11.892 -7.087 -17.337 1.00 41.55 H new ATOM 0 HZ3 LYS A 31 11.503 -8.445 -16.395 1.00 41.55 H new ATOM 465 N TYR A 32 15.168 -3.840 -12.218 1.00 44.34 N ATOM 466 CA TYR A 32 14.305 -3.062 -11.338 1.00 2.14 C ATOM 467 C TYR A 32 15.094 -1.961 -10.636 1.00 12.54 C ATOM 468 O TYR A 32 14.653 -0.813 -10.567 1.00 0.10 O ATOM 469 CB TYR A 32 13.646 -3.973 -10.301 1.00 11.45 C ATOM 470 CG TYR A 32 12.677 -4.968 -10.898 1.00 30.04 C ATOM 471 CD1 TYR A 32 11.884 -4.628 -11.986 1.00 75.12 C ATOM 472 CD2 TYR A 32 12.556 -6.249 -10.373 1.00 72.24 C ATOM 473 CE1 TYR A 32 10.996 -5.534 -12.534 1.00 65.22 C ATOM 474 CE2 TYR A 32 11.672 -7.162 -10.916 1.00 25.40 C ATOM 475 CZ TYR A 32 10.895 -6.800 -11.996 1.00 33.01 C ATOM 476 OH TYR A 32 10.013 -7.706 -12.540 1.00 3.01 O ATOM 0 H TYR A 32 15.405 -4.767 -11.865 1.00 44.34 H new ATOM 0 HA TYR A 32 13.531 -2.597 -11.948 1.00 2.14 H new ATOM 0 HB2 TYR A 32 14.422 -4.514 -9.760 1.00 11.45 H new ATOM 0 HB3 TYR A 32 13.119 -3.358 -9.572 1.00 11.45 H new ATOM 0 HD1 TYR A 32 11.963 -3.638 -12.411 1.00 75.12 H new ATOM 0 HD2 TYR A 32 13.163 -6.536 -9.527 1.00 72.24 H new ATOM 0 HE1 TYR A 32 10.385 -5.252 -13.379 1.00 65.22 H new ATOM 0 HE2 TYR A 32 11.590 -8.154 -10.497 1.00 25.40 H new ATOM 0 HH TYR A 32 10.065 -8.551 -12.046 1.00 3.01 H new ATOM 486 N TYR A 33 16.263 -2.318 -10.116 1.00 73.51 N ATOM 487 CA TYR A 33 17.114 -1.362 -9.417 1.00 75.45 C ATOM 488 C TYR A 33 17.555 -0.241 -10.353 1.00 22.01 C ATOM 489 O TYR A 33 17.891 0.858 -9.910 1.00 75.30 O ATOM 490 CB TYR A 33 18.339 -2.069 -8.836 1.00 2.34 C ATOM 491 CG TYR A 33 19.172 -1.189 -7.930 1.00 73.42 C ATOM 492 CD1 TYR A 33 20.108 -0.307 -8.455 1.00 61.24 C ATOM 493 CD2 TYR A 33 19.023 -1.241 -6.550 1.00 30.22 C ATOM 494 CE1 TYR A 33 20.872 0.498 -7.632 1.00 74.32 C ATOM 495 CE2 TYR A 33 19.781 -0.439 -5.719 1.00 50.01 C ATOM 496 CZ TYR A 33 20.704 0.429 -6.265 1.00 30.41 C ATOM 497 OH TYR A 33 21.462 1.228 -5.441 1.00 0.34 O ATOM 0 H TYR A 33 16.643 -3.263 -10.165 1.00 73.51 H new ATOM 0 HA TYR A 33 16.536 -0.925 -8.603 1.00 75.45 H new ATOM 0 HB2 TYR A 33 18.011 -2.945 -8.277 1.00 2.34 H new ATOM 0 HB3 TYR A 33 18.963 -2.428 -9.654 1.00 2.34 H new ATOM 0 HD1 TYR A 33 20.241 -0.249 -9.525 1.00 61.24 H new ATOM 0 HD2 TYR A 33 18.302 -1.920 -6.119 1.00 30.22 H new ATOM 0 HE1 TYR A 33 21.596 1.177 -8.057 1.00 74.32 H new ATOM 0 HE2 TYR A 33 19.652 -0.491 -4.648 1.00 50.01 H new ATOM 0 HH TYR A 33 21.220 1.058 -4.507 1.00 0.34 H new ATOM 507 N LYS A 34 17.552 -0.526 -11.651 1.00 21.44 N ATOM 508 CA LYS A 34 17.950 0.456 -12.652 1.00 11.45 C ATOM 509 C LYS A 34 16.780 1.364 -13.018 1.00 71.22 C ATOM 510 O LYS A 34 16.927 2.584 -13.084 1.00 71.25 O ATOM 511 CB LYS A 34 18.476 -0.246 -13.905 1.00 24.31 C ATOM 512 CG LYS A 34 19.774 -1.003 -13.678 1.00 51.25 C ATOM 513 CD LYS A 34 20.887 -0.076 -13.218 1.00 74.10 C ATOM 514 CE LYS A 34 21.146 1.029 -14.230 1.00 51.31 C ATOM 515 NZ LYS A 34 22.549 1.524 -14.164 1.00 60.31 N ATOM 0 H LYS A 34 17.278 -1.431 -12.034 1.00 21.44 H new ATOM 0 HA LYS A 34 18.744 1.069 -12.227 1.00 11.45 H new ATOM 0 HB2 LYS A 34 17.718 -0.941 -14.267 1.00 24.31 H new ATOM 0 HB3 LYS A 34 18.630 0.495 -14.689 1.00 24.31 H new ATOM 0 HG2 LYS A 34 19.616 -1.782 -12.932 1.00 51.25 H new ATOM 0 HG3 LYS A 34 20.072 -1.501 -14.601 1.00 51.25 H new ATOM 0 HD2 LYS A 34 20.621 0.364 -12.257 1.00 74.10 H new ATOM 0 HD3 LYS A 34 21.800 -0.651 -13.064 1.00 74.10 H new ATOM 0 HE2 LYS A 34 20.939 0.658 -15.234 1.00 51.31 H new ATOM 0 HE3 LYS A 34 20.460 1.856 -14.048 1.00 51.31 H new ATOM 0 HZ1 LYS A 34 22.685 2.276 -14.869 1.00 60.31 H new ATOM 0 HZ2 LYS A 34 22.740 1.901 -13.214 1.00 60.31 H new ATOM 0 HZ3 LYS A 34 23.203 0.740 -14.363 1.00 60.31 H new ATOM 529 N GLN A 35 15.620 0.760 -13.254 1.00 34.23 N ATOM 530 CA GLN A 35 14.425 1.515 -13.613 1.00 30.24 C ATOM 531 C GLN A 35 13.891 2.292 -12.414 1.00 24.34 C ATOM 532 O GLN A 35 13.213 3.307 -12.571 1.00 64.42 O ATOM 533 CB GLN A 35 13.344 0.575 -14.148 1.00 73.34 C ATOM 534 CG GLN A 35 13.060 0.756 -15.631 1.00 12.13 C ATOM 535 CD GLN A 35 13.964 -0.089 -16.506 1.00 4.11 C ATOM 536 OE1 GLN A 35 14.309 -1.218 -16.155 1.00 53.10 O ATOM 537 NE2 GLN A 35 14.355 0.454 -17.653 1.00 54.20 N ATOM 0 H GLN A 35 15.482 -0.249 -13.203 1.00 34.23 H new ATOM 0 HA GLN A 35 14.696 2.227 -14.393 1.00 30.24 H new ATOM 0 HB2 GLN A 35 13.649 -0.456 -13.968 1.00 73.34 H new ATOM 0 HB3 GLN A 35 12.423 0.737 -13.588 1.00 73.34 H new ATOM 0 HG2 GLN A 35 12.021 0.497 -15.832 1.00 12.13 H new ATOM 0 HG3 GLN A 35 13.184 1.806 -15.895 1.00 12.13 H new ATOM 0 HE21 GLN A 35 14.045 1.393 -17.905 1.00 54.20 H new ATOM 0 HE22 GLN A 35 14.965 -0.068 -18.282 1.00 54.20 H new ATOM 546 N ALA A 36 14.202 1.808 -11.215 1.00 72.24 N ATOM 547 CA ALA A 36 13.755 2.458 -9.990 1.00 32.23 C ATOM 548 C ALA A 36 14.751 3.519 -9.537 1.00 4.45 C ATOM 549 O ALA A 36 14.551 4.179 -8.516 1.00 41.32 O ATOM 550 CB ALA A 36 13.544 1.426 -8.892 1.00 21.13 C ATOM 0 H ALA A 36 14.762 0.968 -11.067 1.00 72.24 H new ATOM 0 HA ALA A 36 12.806 2.953 -10.196 1.00 32.23 H new ATOM 0 HB1 ALA A 36 13.210 1.925 -7.983 1.00 21.13 H new ATOM 0 HB2 ALA A 36 12.789 0.707 -9.209 1.00 21.13 H new ATOM 0 HB3 ALA A 36 14.482 0.906 -8.697 1.00 21.13 H new ATOM 556 N THR A 37 15.827 3.679 -10.301 1.00 3.40 N ATOM 557 CA THR A 37 16.856 4.659 -9.977 1.00 2.51 C ATOM 558 C THR A 37 17.006 5.688 -11.092 1.00 0.33 C ATOM 559 O THR A 37 16.947 6.894 -10.850 1.00 30.14 O ATOM 560 CB THR A 37 18.218 3.984 -9.731 1.00 63.41 C ATOM 561 OG1 THR A 37 18.128 3.091 -8.615 1.00 0.10 O ATOM 562 CG2 THR A 37 19.299 5.022 -9.470 1.00 54.42 C ATOM 0 H THR A 37 16.008 3.142 -11.149 1.00 3.40 H new ATOM 0 HA THR A 37 16.537 5.161 -9.063 1.00 2.51 H new ATOM 0 HB THR A 37 18.486 3.422 -10.626 1.00 63.41 H new ATOM 0 HG1 THR A 37 17.677 2.266 -8.892 1.00 0.10 H new ATOM 0 HG21 THR A 37 20.251 4.520 -9.299 1.00 54.42 H new ATOM 0 HG22 THR A 37 19.386 5.682 -10.333 1.00 54.42 H new ATOM 0 HG23 THR A 37 19.035 5.609 -8.590 1.00 54.42 H new ATOM 570 N VAL A 38 17.200 5.205 -12.315 1.00 33.02 N ATOM 571 CA VAL A 38 17.356 6.083 -13.468 1.00 1.30 C ATOM 572 C VAL A 38 16.010 6.380 -14.120 1.00 22.42 C ATOM 573 O VAL A 38 15.541 7.517 -14.110 1.00 33.30 O ATOM 574 CB VAL A 38 18.299 5.467 -14.519 1.00 14.20 C ATOM 575 CG1 VAL A 38 18.439 6.392 -15.718 1.00 41.31 C ATOM 576 CG2 VAL A 38 19.657 5.167 -13.905 1.00 25.04 C ATOM 0 H VAL A 38 17.253 4.210 -12.533 1.00 33.02 H new ATOM 0 HA VAL A 38 17.791 7.013 -13.101 1.00 1.30 H new ATOM 0 HB VAL A 38 17.867 4.528 -14.864 1.00 14.20 H new ATOM 0 HG11 VAL A 38 19.109 5.940 -16.450 1.00 41.31 H new ATOM 0 HG12 VAL A 38 17.460 6.551 -16.171 1.00 41.31 H new ATOM 0 HG13 VAL A 38 18.848 7.349 -15.394 1.00 41.31 H new ATOM 0 HG21 VAL A 38 20.310 4.732 -14.662 1.00 25.04 H new ATOM 0 HG22 VAL A 38 20.099 6.090 -13.531 1.00 25.04 H new ATOM 0 HG23 VAL A 38 19.537 4.463 -13.082 1.00 25.04 H new ATOM 586 N GLY A 39 15.393 5.347 -14.686 1.00 51.02 N ATOM 587 CA GLY A 39 14.106 5.517 -15.335 1.00 11.11 C ATOM 588 C GLY A 39 13.998 4.727 -16.624 1.00 55.10 C ATOM 589 O GLY A 39 13.051 3.963 -16.814 1.00 24.42 O ATOM 0 H GLY A 39 15.761 4.396 -14.707 1.00 51.02 H new ATOM 0 HA2 GLY A 39 13.315 5.204 -14.654 1.00 11.11 H new ATOM 0 HA3 GLY A 39 13.946 6.574 -15.546 1.00 11.11 H new ATOM 593 N ASP A 40 14.967 4.912 -17.513 1.00 3.52 N ATOM 594 CA ASP A 40 14.977 4.211 -18.792 1.00 13.55 C ATOM 595 C ASP A 40 16.403 3.873 -19.215 1.00 74.01 C ATOM 596 O ASP A 40 17.357 4.534 -18.803 1.00 34.23 O ATOM 597 CB ASP A 40 14.300 5.061 -19.868 1.00 53.02 C ATOM 598 CG ASP A 40 15.161 6.227 -20.313 1.00 23.52 C ATOM 599 OD1 ASP A 40 15.879 6.793 -19.462 1.00 31.13 O ATOM 600 OD2 ASP A 40 15.119 6.572 -21.512 1.00 33.30 O ATOM 0 H ASP A 40 15.757 5.542 -17.372 1.00 3.52 H new ATOM 0 HA ASP A 40 14.423 3.280 -18.673 1.00 13.55 H new ATOM 0 HB2 ASP A 40 14.069 4.434 -20.729 1.00 53.02 H new ATOM 0 HB3 ASP A 40 13.352 5.439 -19.485 1.00 53.02 H new ATOM 605 N CYS A 41 16.540 2.840 -20.039 1.00 10.10 N ATOM 606 CA CYS A 41 17.850 2.412 -20.517 1.00 40.41 C ATOM 607 C CYS A 41 18.401 3.396 -21.545 1.00 24.54 C ATOM 608 O CYS A 41 17.660 3.925 -22.372 1.00 23.51 O ATOM 609 CB CYS A 41 17.761 1.013 -21.128 1.00 40.44 C ATOM 610 SG CYS A 41 19.290 0.452 -21.913 1.00 42.12 S ATOM 0 H CYS A 41 15.760 2.284 -20.390 1.00 10.10 H new ATOM 0 HA CYS A 41 18.530 2.385 -19.665 1.00 40.41 H new ATOM 0 HB2 CYS A 41 17.485 0.304 -20.347 1.00 40.44 H new ATOM 0 HB3 CYS A 41 16.960 1.001 -21.867 1.00 40.44 H new ATOM 0 HG CYS A 41 20.136 0.080 -20.999 1.00 42.12 H new ATOM 616 N ASN A 42 19.707 3.636 -21.484 1.00 41.32 N ATOM 617 CA ASN A 42 20.358 4.558 -22.408 1.00 52.13 C ATOM 618 C ASN A 42 21.869 4.352 -22.408 1.00 5.12 C ATOM 619 O ASN A 42 22.638 5.310 -22.317 1.00 31.34 O ATOM 620 CB ASN A 42 20.029 6.005 -22.035 1.00 32.25 C ATOM 621 CG ASN A 42 20.403 6.331 -20.602 1.00 1.24 C ATOM 622 OD1 ASN A 42 19.423 6.278 -19.707 1.00 1.14 O flip ATOM 623 ND2 ASN A 42 21.560 6.627 -20.303 1.00 52.25 N flip ATOM 0 H ASN A 42 20.335 3.205 -20.805 1.00 41.32 H new ATOM 0 HA ASN A 42 19.981 4.354 -23.410 1.00 52.13 H new ATOM 0 HB2 ASN A 42 20.557 6.680 -22.708 1.00 32.25 H new ATOM 0 HB3 ASN A 42 18.963 6.181 -22.179 1.00 32.25 H new ATOM 0 HD21 ASN A 42 22.282 6.655 -21.023 1.00 52.25 H new ATOM 0 HD22 ASN A 42 21.797 6.844 -19.335 1.00 52.25 H new ATOM 630 N LYS A 43 22.290 3.096 -22.511 1.00 31.12 N ATOM 631 CA LYS A 43 23.709 2.762 -22.524 1.00 42.24 C ATOM 632 C LYS A 43 24.099 2.094 -23.839 1.00 55.12 C ATOM 633 O LYS A 43 23.263 1.538 -24.552 1.00 53.53 O ATOM 634 CB LYS A 43 24.049 1.840 -21.351 1.00 74.13 C ATOM 635 CG LYS A 43 24.183 2.567 -20.025 1.00 15.23 C ATOM 636 CD LYS A 43 25.417 3.452 -19.996 1.00 43.32 C ATOM 637 CE LYS A 43 25.185 4.706 -19.167 1.00 42.32 C ATOM 638 NZ LYS A 43 26.438 5.181 -18.517 1.00 41.45 N ATOM 0 H LYS A 43 21.667 2.292 -22.587 1.00 31.12 H new ATOM 0 HA LYS A 43 24.275 3.688 -22.425 1.00 42.24 H new ATOM 0 HB2 LYS A 43 23.274 1.079 -21.262 1.00 74.13 H new ATOM 0 HB3 LYS A 43 24.983 1.321 -21.567 1.00 74.13 H new ATOM 0 HG2 LYS A 43 23.295 3.174 -19.851 1.00 15.23 H new ATOM 0 HG3 LYS A 43 24.236 1.840 -19.214 1.00 15.23 H new ATOM 0 HD2 LYS A 43 26.257 2.893 -19.584 1.00 43.32 H new ATOM 0 HD3 LYS A 43 25.689 3.733 -21.014 1.00 43.32 H new ATOM 0 HE2 LYS A 43 24.785 5.494 -19.805 1.00 42.32 H new ATOM 0 HE3 LYS A 43 24.434 4.503 -18.403 1.00 42.32 H new ATOM 0 HZ1 LYS A 43 26.238 6.037 -17.961 1.00 41.45 H new ATOM 0 HZ2 LYS A 43 26.806 4.439 -17.889 1.00 41.45 H new ATOM 0 HZ3 LYS A 43 27.146 5.399 -19.247 1.00 41.45 H new ATOM 652 N PRO A 44 25.398 2.147 -24.169 1.00 34.21 N ATOM 653 CA PRO A 44 25.927 1.550 -25.399 1.00 21.24 C ATOM 654 C PRO A 44 25.897 0.026 -25.363 1.00 22.34 C ATOM 655 O PRO A 44 26.087 -0.585 -24.310 1.00 51.24 O ATOM 656 CB PRO A 44 27.371 2.055 -25.445 1.00 41.51 C ATOM 657 CG PRO A 44 27.721 2.333 -24.024 1.00 23.21 C ATOM 658 CD PRO A 44 26.450 2.793 -23.366 1.00 73.32 C ATOM 0 HA PRO A 44 25.336 1.825 -26.273 1.00 21.24 H new ATOM 0 HB2 PRO A 44 28.038 1.309 -25.878 1.00 41.51 H new ATOM 0 HB3 PRO A 44 27.457 2.953 -26.057 1.00 41.51 H new ATOM 0 HG2 PRO A 44 28.111 1.440 -23.536 1.00 23.21 H new ATOM 0 HG3 PRO A 44 28.495 3.098 -23.955 1.00 23.21 H new ATOM 0 HD2 PRO A 44 26.404 2.486 -22.321 1.00 73.32 H new ATOM 0 HD3 PRO A 44 26.359 3.879 -23.383 1.00 73.32 H new ATOM 666 N LYS A 45 25.658 -0.584 -26.519 1.00 24.24 N ATOM 667 CA LYS A 45 25.605 -2.038 -26.621 1.00 3.33 C ATOM 668 C LYS A 45 26.906 -2.665 -26.130 1.00 30.51 C ATOM 669 O LYS A 45 28.004 -2.226 -26.473 1.00 73.23 O ATOM 670 CB LYS A 45 25.338 -2.458 -28.068 1.00 32.54 C ATOM 671 CG LYS A 45 25.028 -3.937 -28.224 1.00 32.24 C ATOM 672 CD LYS A 45 23.563 -4.232 -27.948 1.00 51.12 C ATOM 673 CE LYS A 45 22.732 -4.162 -29.220 1.00 74.31 C ATOM 674 NZ LYS A 45 22.990 -5.324 -30.116 1.00 13.33 N ATOM 0 H LYS A 45 25.498 -0.094 -27.399 1.00 24.24 H new ATOM 0 HA LYS A 45 24.790 -2.393 -25.990 1.00 3.33 H new ATOM 0 HB2 LYS A 45 24.502 -1.877 -28.458 1.00 32.54 H new ATOM 0 HB3 LYS A 45 26.209 -2.212 -28.676 1.00 32.54 H new ATOM 0 HG2 LYS A 45 25.281 -4.258 -29.235 1.00 32.24 H new ATOM 0 HG3 LYS A 45 25.651 -4.514 -27.541 1.00 32.24 H new ATOM 0 HD2 LYS A 45 23.468 -5.223 -27.504 1.00 51.12 H new ATOM 0 HD3 LYS A 45 23.178 -3.518 -27.220 1.00 51.12 H new ATOM 0 HE2 LYS A 45 21.674 -4.131 -28.961 1.00 74.31 H new ATOM 0 HE3 LYS A 45 22.958 -3.237 -29.751 1.00 74.31 H new ATOM 0 HZ1 LYS A 45 22.223 -5.401 -30.814 1.00 13.33 H new ATOM 0 HZ2 LYS A 45 23.895 -5.187 -30.610 1.00 13.33 H new ATOM 0 HZ3 LYS A 45 23.032 -6.196 -29.550 1.00 13.33 H new ATOM 688 N PRO A 46 26.783 -3.719 -25.308 1.00 53.53 N ATOM 689 CA PRO A 46 27.939 -4.430 -24.755 1.00 35.22 C ATOM 690 C PRO A 46 28.694 -5.222 -25.816 1.00 63.41 C ATOM 691 O PRO A 46 28.510 -5.008 -27.013 1.00 51.24 O ATOM 692 CB PRO A 46 27.313 -5.376 -23.726 1.00 5.31 C ATOM 693 CG PRO A 46 25.918 -5.586 -24.203 1.00 51.41 C ATOM 694 CD PRO A 46 25.505 -4.296 -24.857 1.00 45.10 C ATOM 0 HA PRO A 46 28.676 -3.746 -24.334 1.00 35.22 H new ATOM 0 HB2 PRO A 46 27.859 -6.318 -23.671 1.00 5.31 H new ATOM 0 HB3 PRO A 46 27.328 -4.940 -22.727 1.00 5.31 H new ATOM 0 HG2 PRO A 46 25.868 -6.415 -24.909 1.00 51.41 H new ATOM 0 HG3 PRO A 46 25.255 -5.833 -23.374 1.00 51.41 H new ATOM 0 HD2 PRO A 46 24.825 -4.468 -25.691 1.00 45.10 H new ATOM 0 HD3 PRO A 46 24.991 -3.637 -24.157 1.00 45.10 H new ATOM 702 N GLY A 47 29.546 -6.140 -25.369 1.00 22.14 N ATOM 703 CA GLY A 47 30.317 -6.951 -26.293 1.00 52.44 C ATOM 704 C GLY A 47 29.439 -7.810 -27.181 1.00 51.04 C ATOM 705 O GLY A 47 28.259 -7.517 -27.369 1.00 53.52 O ATOM 0 H GLY A 47 29.716 -6.336 -24.383 1.00 22.14 H new ATOM 0 HA2 GLY A 47 30.933 -6.302 -26.915 1.00 52.44 H new ATOM 0 HA3 GLY A 47 30.996 -7.591 -25.730 1.00 52.44 H new ATOM 709 N MET A 48 30.016 -8.874 -27.730 1.00 45.44 N ATOM 710 CA MET A 48 29.278 -9.778 -28.604 1.00 40.13 C ATOM 711 C MET A 48 29.454 -11.227 -28.161 1.00 14.34 C ATOM 712 O MET A 48 28.518 -12.025 -28.230 1.00 25.53 O ATOM 713 CB MET A 48 29.744 -9.616 -30.052 1.00 51.24 C ATOM 714 CG MET A 48 28.675 -9.961 -31.077 1.00 3.21 C ATOM 715 SD MET A 48 28.960 -9.169 -32.671 1.00 41.24 S ATOM 716 CE MET A 48 27.345 -9.337 -33.426 1.00 55.33 C ATOM 0 H MET A 48 30.992 -9.131 -27.585 1.00 45.44 H new ATOM 0 HA MET A 48 28.220 -9.522 -28.539 1.00 40.13 H new ATOM 0 HB2 MET A 48 30.067 -8.587 -30.208 1.00 51.24 H new ATOM 0 HB3 MET A 48 30.614 -10.251 -30.218 1.00 51.24 H new ATOM 0 HG2 MET A 48 28.643 -11.042 -31.213 1.00 3.21 H new ATOM 0 HG3 MET A 48 27.700 -9.659 -30.695 1.00 3.21 H new ATOM 0 HE1 MET A 48 27.361 -8.893 -34.421 1.00 55.33 H new ATOM 0 HE2 MET A 48 27.088 -10.393 -33.504 1.00 55.33 H new ATOM 0 HE3 MET A 48 26.602 -8.827 -32.813 1.00 55.33 H new ATOM 726 N LEU A 49 30.656 -11.560 -27.706 1.00 4.34 N ATOM 727 CA LEU A 49 30.955 -12.913 -27.251 1.00 34.35 C ATOM 728 C LEU A 49 30.197 -13.235 -25.967 1.00 32.45 C ATOM 729 O LEU A 49 30.201 -14.375 -25.502 1.00 70.11 O ATOM 730 CB LEU A 49 32.458 -13.076 -27.023 1.00 64.53 C ATOM 731 CG LEU A 49 33.014 -12.462 -25.738 1.00 14.21 C ATOM 732 CD1 LEU A 49 32.532 -11.028 -25.581 1.00 12.15 C ATOM 733 CD2 LEU A 49 32.612 -13.297 -24.531 1.00 2.22 C ATOM 0 H LEU A 49 31.440 -10.911 -27.642 1.00 4.34 H new ATOM 0 HA LEU A 49 30.634 -13.609 -28.026 1.00 34.35 H new ATOM 0 HB2 LEU A 49 32.692 -14.141 -27.023 1.00 64.53 H new ATOM 0 HB3 LEU A 49 32.983 -12.634 -27.870 1.00 64.53 H new ATOM 0 HG LEU A 49 34.102 -12.453 -25.802 1.00 14.21 H new ATOM 0 HD11 LEU A 49 32.937 -10.607 -24.661 1.00 12.15 H new ATOM 0 HD12 LEU A 49 32.870 -10.435 -26.431 1.00 12.15 H new ATOM 0 HD13 LEU A 49 31.443 -11.013 -25.538 1.00 12.15 H new ATOM 0 HD21 LEU A 49 33.016 -12.845 -23.625 1.00 2.22 H new ATOM 0 HD22 LEU A 49 31.525 -13.337 -24.462 1.00 2.22 H new ATOM 0 HD23 LEU A 49 33.006 -14.307 -24.640 1.00 2.22 H new ATOM 745 N GLN A 50 29.546 -12.224 -25.400 1.00 22.41 N ATOM 746 CA GLN A 50 28.783 -12.401 -24.170 1.00 74.24 C ATOM 747 C GLN A 50 27.309 -12.649 -24.476 1.00 21.13 C ATOM 748 O GLN A 50 26.728 -12.004 -25.349 1.00 11.50 O ATOM 749 CB GLN A 50 28.930 -11.172 -23.272 1.00 52.34 C ATOM 750 CG GLN A 50 30.104 -11.258 -22.311 1.00 1.31 C ATOM 751 CD GLN A 50 30.308 -9.979 -21.522 1.00 75.03 C ATOM 752 OE1 GLN A 50 29.215 -9.408 -21.028 1.00 70.13 O flip ATOM 753 NE2 GLN A 50 31.434 -9.509 -21.359 1.00 24.12 N flip ATOM 0 H GLN A 50 29.532 -11.275 -25.773 1.00 22.41 H new ATOM 0 HA GLN A 50 29.179 -13.272 -23.648 1.00 74.24 H new ATOM 0 HB2 GLN A 50 29.047 -10.287 -23.898 1.00 52.34 H new ATOM 0 HB3 GLN A 50 28.012 -11.038 -22.700 1.00 52.34 H new ATOM 0 HG2 GLN A 50 29.943 -12.085 -21.620 1.00 1.31 H new ATOM 0 HG3 GLN A 50 31.011 -11.483 -22.871 1.00 1.31 H new ATOM 0 HE21 GLN A 50 32.246 -9.981 -21.756 1.00 24.12 H new ATOM 0 HE22 GLN A 50 31.555 -8.647 -20.826 1.00 24.12 H new ATOM 762 N LEU A 51 26.710 -13.588 -23.752 1.00 11.14 N ATOM 763 CA LEU A 51 25.303 -13.922 -23.945 1.00 1.10 C ATOM 764 C LEU A 51 24.417 -13.117 -22.999 1.00 64.03 C ATOM 765 O LEU A 51 23.516 -12.402 -23.436 1.00 43.15 O ATOM 766 CB LEU A 51 25.079 -15.419 -23.722 1.00 54.54 C ATOM 767 CG LEU A 51 25.966 -16.359 -24.538 1.00 62.12 C ATOM 768 CD1 LEU A 51 26.520 -17.469 -23.657 1.00 54.55 C ATOM 769 CD2 LEU A 51 25.190 -16.943 -25.710 1.00 11.33 C ATOM 0 H LEU A 51 27.177 -14.132 -23.026 1.00 11.14 H new ATOM 0 HA LEU A 51 25.032 -13.669 -24.970 1.00 1.10 H new ATOM 0 HB2 LEU A 51 25.231 -15.635 -22.665 1.00 54.54 H new ATOM 0 HB3 LEU A 51 24.037 -15.648 -23.948 1.00 54.54 H new ATOM 0 HG LEU A 51 26.803 -15.784 -24.934 1.00 62.12 H new ATOM 0 HD11 LEU A 51 27.149 -18.128 -24.255 1.00 54.55 H new ATOM 0 HD12 LEU A 51 27.113 -17.033 -22.852 1.00 54.55 H new ATOM 0 HD13 LEU A 51 25.696 -18.041 -23.232 1.00 54.55 H new ATOM 0 HD21 LEU A 51 25.838 -17.610 -26.279 1.00 11.33 H new ATOM 0 HD22 LEU A 51 24.332 -17.502 -25.336 1.00 11.33 H new ATOM 0 HD23 LEU A 51 24.843 -16.136 -26.355 1.00 11.33 H new ATOM 781 N GLN A 52 24.682 -13.238 -21.702 1.00 41.24 N ATOM 782 CA GLN A 52 23.909 -12.520 -20.696 1.00 5.15 C ATOM 783 C GLN A 52 23.830 -11.034 -21.028 1.00 54.41 C ATOM 784 O GLN A 52 22.826 -10.379 -20.747 1.00 44.24 O ATOM 785 CB GLN A 52 24.532 -12.712 -19.312 1.00 22.24 C ATOM 786 CG GLN A 52 24.235 -14.069 -18.694 1.00 15.23 C ATOM 787 CD GLN A 52 24.779 -15.218 -19.519 1.00 23.12 C ATOM 788 OE1 GLN A 52 26.033 -15.103 -19.940 1.00 72.13 O flip ATOM 789 NE2 GLN A 52 24.081 -16.199 -19.775 1.00 4.42 N flip ATOM 0 H GLN A 52 25.425 -13.826 -21.324 1.00 41.24 H new ATOM 0 HA GLN A 52 22.898 -12.927 -20.692 1.00 5.15 H new ATOM 0 HB2 GLN A 52 25.612 -12.585 -19.388 1.00 22.24 H new ATOM 0 HB3 GLN A 52 24.165 -11.931 -18.646 1.00 22.24 H new ATOM 0 HG2 GLN A 52 24.665 -14.110 -17.693 1.00 15.23 H new ATOM 0 HG3 GLN A 52 23.157 -14.185 -18.583 1.00 15.23 H new ATOM 0 HE21 GLN A 52 23.122 -16.246 -19.431 1.00 4.42 H new ATOM 0 HE22 GLN A 52 24.462 -16.965 -20.331 1.00 4.42 H new ATOM 798 N GLU A 53 24.894 -10.508 -21.627 1.00 73.34 N ATOM 799 CA GLU A 53 24.943 -9.098 -21.997 1.00 21.53 C ATOM 800 C GLU A 53 23.681 -8.689 -22.750 1.00 12.32 C ATOM 801 O GLU A 53 23.153 -7.595 -22.551 1.00 15.42 O ATOM 802 CB GLU A 53 26.177 -8.817 -22.856 1.00 42.52 C ATOM 803 CG GLU A 53 26.013 -9.227 -24.310 1.00 23.41 C ATOM 804 CD GLU A 53 27.292 -9.068 -25.109 1.00 50.51 C ATOM 805 OE1 GLU A 53 28.202 -8.355 -24.635 1.00 72.02 O ATOM 806 OE2 GLU A 53 27.383 -9.654 -26.208 1.00 30.04 O ATOM 0 H GLU A 53 25.733 -11.037 -21.866 1.00 73.34 H new ATOM 0 HA GLU A 53 25.005 -8.510 -21.081 1.00 21.53 H new ATOM 0 HB2 GLU A 53 26.406 -7.752 -22.811 1.00 42.52 H new ATOM 0 HB3 GLU A 53 27.032 -9.345 -22.433 1.00 42.52 H new ATOM 0 HG2 GLU A 53 25.687 -10.266 -24.356 1.00 23.41 H new ATOM 0 HG3 GLU A 53 25.227 -8.626 -24.767 1.00 23.41 H new ATOM 813 N LYS A 54 23.202 -9.575 -23.617 1.00 3.14 N ATOM 814 CA LYS A 54 22.002 -9.308 -24.400 1.00 60.13 C ATOM 815 C LYS A 54 20.758 -9.336 -23.518 1.00 24.44 C ATOM 816 O LYS A 54 19.855 -8.515 -23.675 1.00 0.33 O ATOM 817 CB LYS A 54 21.865 -10.335 -25.526 1.00 74.34 C ATOM 818 CG LYS A 54 22.880 -10.155 -26.641 1.00 65.31 C ATOM 819 CD LYS A 54 23.972 -11.211 -26.577 1.00 14.11 C ATOM 820 CE LYS A 54 23.437 -12.588 -26.939 1.00 72.00 C ATOM 821 NZ LYS A 54 22.888 -12.624 -28.323 1.00 0.31 N ATOM 0 H LYS A 54 23.627 -10.485 -23.795 1.00 3.14 H new ATOM 0 HA LYS A 54 22.095 -8.312 -24.833 1.00 60.13 H new ATOM 0 HB2 LYS A 54 21.971 -11.336 -25.108 1.00 74.34 H new ATOM 0 HB3 LYS A 54 20.861 -10.269 -25.946 1.00 74.34 H new ATOM 0 HG2 LYS A 54 22.376 -10.210 -27.606 1.00 65.31 H new ATOM 0 HG3 LYS A 54 23.327 -9.163 -26.571 1.00 65.31 H new ATOM 0 HD2 LYS A 54 24.780 -10.943 -27.258 1.00 14.11 H new ATOM 0 HD3 LYS A 54 24.397 -11.237 -25.573 1.00 14.11 H new ATOM 0 HE2 LYS A 54 24.236 -13.324 -26.846 1.00 72.00 H new ATOM 0 HE3 LYS A 54 22.658 -12.872 -26.232 1.00 72.00 H new ATOM 0 HZ1 LYS A 54 22.833 -13.610 -28.649 1.00 0.31 H new ATOM 0 HZ2 LYS A 54 21.937 -12.204 -28.330 1.00 0.31 H new ATOM 0 HZ3 LYS A 54 23.510 -12.084 -28.957 1.00 0.31 H new ATOM 835 N TYR A 55 20.719 -10.285 -22.589 1.00 23.31 N ATOM 836 CA TYR A 55 19.586 -10.421 -21.682 1.00 12.33 C ATOM 837 C TYR A 55 19.558 -9.278 -20.671 1.00 33.42 C ATOM 838 O TYR A 55 18.500 -8.912 -20.159 1.00 13.21 O ATOM 839 CB TYR A 55 19.649 -11.763 -20.950 1.00 53.51 C ATOM 840 CG TYR A 55 19.911 -12.938 -21.864 1.00 25.45 C ATOM 841 CD1 TYR A 55 19.408 -12.964 -23.158 1.00 71.21 C ATOM 842 CD2 TYR A 55 20.664 -14.024 -21.432 1.00 5.41 C ATOM 843 CE1 TYR A 55 19.645 -14.037 -23.996 1.00 10.14 C ATOM 844 CE2 TYR A 55 20.908 -15.100 -22.263 1.00 11.00 C ATOM 845 CZ TYR A 55 20.396 -15.102 -23.544 1.00 34.24 C ATOM 846 OH TYR A 55 20.635 -16.172 -24.375 1.00 42.03 O ATOM 0 H TYR A 55 21.459 -10.972 -22.445 1.00 23.31 H new ATOM 0 HA TYR A 55 18.672 -10.381 -22.275 1.00 12.33 H new ATOM 0 HB2 TYR A 55 20.433 -11.719 -20.194 1.00 53.51 H new ATOM 0 HB3 TYR A 55 18.708 -11.925 -20.424 1.00 53.51 H new ATOM 0 HD1 TYR A 55 18.821 -12.131 -23.516 1.00 71.21 H new ATOM 0 HD2 TYR A 55 21.065 -14.026 -20.429 1.00 5.41 H new ATOM 0 HE1 TYR A 55 19.245 -14.042 -24.999 1.00 10.14 H new ATOM 0 HE2 TYR A 55 21.496 -15.935 -21.912 1.00 11.00 H new ATOM 0 HH TYR A 55 21.180 -16.836 -23.904 1.00 42.03 H new ATOM 856 N LYS A 56 20.729 -8.718 -20.388 1.00 61.50 N ATOM 857 CA LYS A 56 20.842 -7.616 -19.440 1.00 72.23 C ATOM 858 C LYS A 56 20.635 -6.276 -20.138 1.00 14.41 C ATOM 859 O LYS A 56 20.245 -5.292 -19.509 1.00 15.02 O ATOM 860 CB LYS A 56 22.211 -7.642 -18.758 1.00 2.54 C ATOM 861 CG LYS A 56 22.529 -8.963 -18.080 1.00 72.53 C ATOM 862 CD LYS A 56 24.028 -9.193 -17.981 1.00 35.30 C ATOM 863 CE LYS A 56 24.390 -9.969 -16.724 1.00 63.21 C ATOM 864 NZ LYS A 56 25.858 -10.196 -16.616 1.00 42.43 N ATOM 0 H LYS A 56 21.614 -9.010 -20.802 1.00 61.50 H new ATOM 0 HA LYS A 56 20.065 -7.737 -18.685 1.00 72.23 H new ATOM 0 HB2 LYS A 56 22.981 -7.430 -19.500 1.00 2.54 H new ATOM 0 HB3 LYS A 56 22.253 -6.844 -18.017 1.00 2.54 H new ATOM 0 HG2 LYS A 56 22.092 -8.975 -17.082 1.00 72.53 H new ATOM 0 HG3 LYS A 56 22.071 -9.779 -18.639 1.00 72.53 H new ATOM 0 HD2 LYS A 56 24.372 -9.739 -18.859 1.00 35.30 H new ATOM 0 HD3 LYS A 56 24.545 -8.234 -17.979 1.00 35.30 H new ATOM 0 HE2 LYS A 56 24.041 -9.423 -15.847 1.00 63.21 H new ATOM 0 HE3 LYS A 56 23.873 -10.929 -16.728 1.00 63.21 H new ATOM 0 HZ1 LYS A 56 26.064 -10.728 -15.746 1.00 42.43 H new ATOM 0 HZ2 LYS A 56 26.187 -10.739 -17.440 1.00 42.43 H new ATOM 0 HZ3 LYS A 56 26.350 -9.280 -16.586 1.00 42.43 H new ATOM 878 N TRP A 57 20.897 -6.245 -21.439 1.00 54.34 N ATOM 879 CA TRP A 57 20.737 -5.024 -22.222 1.00 70.32 C ATOM 880 C TRP A 57 19.341 -4.946 -22.831 1.00 21.55 C ATOM 881 O TRP A 57 18.838 -3.860 -23.112 1.00 52.45 O ATOM 882 CB TRP A 57 21.793 -4.961 -23.327 1.00 74.12 C ATOM 883 CG TRP A 57 22.005 -3.579 -23.868 1.00 31.34 C ATOM 884 CD1 TRP A 57 22.728 -2.575 -23.289 1.00 62.44 C ATOM 885 CD2 TRP A 57 21.487 -3.049 -25.093 1.00 22.43 C ATOM 886 NE1 TRP A 57 22.691 -1.453 -24.081 1.00 62.25 N ATOM 887 CE2 TRP A 57 21.937 -1.718 -25.194 1.00 22.31 C ATOM 888 CE3 TRP A 57 20.689 -3.570 -26.115 1.00 23.00 C ATOM 889 CZ2 TRP A 57 21.614 -0.904 -26.276 1.00 13.23 C ATOM 890 CZ3 TRP A 57 20.369 -2.760 -27.188 1.00 32.22 C ATOM 891 CH2 TRP A 57 20.831 -1.439 -27.262 1.00 71.41 C ATOM 0 H TRP A 57 21.221 -7.050 -21.975 1.00 54.34 H new ATOM 0 HA TRP A 57 20.869 -4.173 -21.553 1.00 70.32 H new ATOM 0 HB2 TRP A 57 22.738 -5.340 -22.939 1.00 74.12 H new ATOM 0 HB3 TRP A 57 21.496 -5.621 -24.142 1.00 74.12 H new ATOM 0 HD1 TRP A 57 23.251 -2.652 -22.347 1.00 62.44 H new ATOM 0 HE1 TRP A 57 23.150 -0.566 -23.874 1.00 62.25 H new ATOM 0 HE3 TRP A 57 20.329 -4.587 -26.067 1.00 23.00 H new ATOM 0 HZ2 TRP A 57 21.969 0.114 -26.335 1.00 13.23 H new ATOM 0 HZ3 TRP A 57 19.752 -3.152 -27.983 1.00 32.22 H new ATOM 0 HH2 TRP A 57 20.564 -0.832 -28.114 1.00 71.41 H new ATOM 902 N GLU A 58 18.721 -6.106 -23.030 1.00 4.42 N ATOM 903 CA GLU A 58 17.383 -6.166 -23.606 1.00 21.33 C ATOM 904 C GLU A 58 16.322 -5.885 -22.546 1.00 74.40 C ATOM 905 O GLU A 58 15.354 -5.168 -22.797 1.00 12.22 O ATOM 906 CB GLU A 58 17.138 -7.538 -24.238 1.00 53.11 C ATOM 907 CG GLU A 58 17.833 -7.724 -25.576 1.00 73.24 C ATOM 908 CD GLU A 58 16.890 -7.556 -26.752 1.00 12.41 C ATOM 909 OE1 GLU A 58 15.834 -6.911 -26.577 1.00 44.12 O ATOM 910 OE2 GLU A 58 17.207 -8.068 -27.846 1.00 14.14 O ATOM 0 H GLU A 58 19.124 -7.015 -22.801 1.00 4.42 H new ATOM 0 HA GLU A 58 17.312 -5.400 -24.378 1.00 21.33 H new ATOM 0 HB2 GLU A 58 17.479 -8.312 -23.550 1.00 53.11 H new ATOM 0 HB3 GLU A 58 16.066 -7.681 -24.372 1.00 53.11 H new ATOM 0 HG2 GLU A 58 18.647 -7.004 -25.662 1.00 73.24 H new ATOM 0 HG3 GLU A 58 18.281 -8.717 -25.613 1.00 73.24 H new ATOM 917 N ALA A 59 16.511 -6.457 -21.361 1.00 73.23 N ATOM 918 CA ALA A 59 15.571 -6.268 -20.263 1.00 4.20 C ATOM 919 C ALA A 59 15.485 -4.799 -19.862 1.00 30.24 C ATOM 920 O ALA A 59 14.404 -4.209 -19.860 1.00 25.35 O ATOM 921 CB ALA A 59 15.976 -7.120 -19.069 1.00 61.24 C ATOM 0 H ALA A 59 17.306 -7.055 -21.137 1.00 73.23 H new ATOM 0 HA ALA A 59 14.585 -6.584 -20.603 1.00 4.20 H new ATOM 0 HB1 ALA A 59 15.265 -6.969 -18.256 1.00 61.24 H new ATOM 0 HB2 ALA A 59 15.980 -8.171 -19.357 1.00 61.24 H new ATOM 0 HB3 ALA A 59 16.973 -6.831 -18.737 1.00 61.24 H new ATOM 927 N TRP A 60 16.628 -4.216 -19.522 1.00 45.51 N ATOM 928 CA TRP A 60 16.681 -2.815 -19.118 1.00 20.12 C ATOM 929 C TRP A 60 16.066 -1.917 -20.185 1.00 52.13 C ATOM 930 O TRP A 60 15.573 -0.830 -19.886 1.00 74.41 O ATOM 931 CB TRP A 60 18.127 -2.394 -18.851 1.00 0.12 C ATOM 932 CG TRP A 60 18.242 -1.063 -18.172 1.00 2.31 C ATOM 933 CD1 TRP A 60 17.303 -0.461 -17.384 1.00 2.50 C ATOM 934 CD2 TRP A 60 19.359 -0.169 -18.223 1.00 4.33 C ATOM 935 NE1 TRP A 60 17.769 0.754 -16.942 1.00 4.10 N ATOM 936 CE2 TRP A 60 19.029 0.956 -17.442 1.00 13.13 C ATOM 937 CE3 TRP A 60 20.607 -0.210 -18.850 1.00 4.41 C ATOM 938 CZ2 TRP A 60 19.901 2.028 -17.274 1.00 40.24 C ATOM 939 CZ3 TRP A 60 21.472 0.855 -18.683 1.00 50.41 C ATOM 940 CH2 TRP A 60 21.116 1.962 -17.900 1.00 62.30 C ATOM 0 H TRP A 60 17.531 -4.691 -19.518 1.00 45.51 H new ATOM 0 HA TRP A 60 16.103 -2.705 -18.200 1.00 20.12 H new ATOM 0 HB2 TRP A 60 18.610 -3.152 -18.234 1.00 0.12 H new ATOM 0 HB3 TRP A 60 18.668 -2.360 -19.796 1.00 0.12 H new ATOM 0 HD1 TRP A 60 16.336 -0.878 -17.144 1.00 2.50 H new ATOM 0 HE1 TRP A 60 17.260 1.401 -16.340 1.00 4.10 H new ATOM 0 HE3 TRP A 60 20.891 -1.059 -19.454 1.00 4.41 H new ATOM 0 HZ2 TRP A 60 19.628 2.881 -16.671 1.00 40.24 H new ATOM 0 HZ3 TRP A 60 22.439 0.834 -19.164 1.00 50.41 H new ATOM 0 HH2 TRP A 60 21.814 2.778 -17.789 1.00 62.30 H new ATOM 951 N ASN A 61 16.098 -2.378 -21.431 1.00 64.24 N ATOM 952 CA ASN A 61 15.544 -1.615 -22.544 1.00 33.14 C ATOM 953 C ASN A 61 14.058 -1.913 -22.720 1.00 52.20 C ATOM 954 O ASN A 61 13.308 -1.090 -23.245 1.00 34.44 O ATOM 955 CB ASN A 61 16.297 -1.937 -23.836 1.00 33.10 C ATOM 956 CG ASN A 61 15.727 -1.204 -25.035 1.00 2.40 C ATOM 957 OD1 ASN A 61 16.247 -0.167 -25.447 1.00 3.53 O ATOM 958 ND2 ASN A 61 14.653 -1.741 -25.601 1.00 52.42 N ATOM 0 H ASN A 61 16.502 -3.277 -21.696 1.00 64.24 H new ATOM 0 HA ASN A 61 15.660 -0.555 -22.319 1.00 33.14 H new ATOM 0 HB2 ASN A 61 17.347 -1.672 -23.717 1.00 33.10 H new ATOM 0 HB3 ASN A 61 16.258 -3.011 -24.018 1.00 33.10 H new ATOM 0 HD21 ASN A 61 14.225 -1.293 -26.411 1.00 52.42 H new ATOM 0 HD22 ASN A 61 14.255 -2.602 -25.226 1.00 52.42 H new ATOM 965 N ALA A 62 13.640 -3.094 -22.277 1.00 70.34 N ATOM 966 CA ALA A 62 12.244 -3.500 -22.384 1.00 11.33 C ATOM 967 C ALA A 62 11.377 -2.752 -21.376 1.00 71.14 C ATOM 968 O ALA A 62 10.162 -2.645 -21.546 1.00 74.52 O ATOM 969 CB ALA A 62 12.114 -5.002 -22.182 1.00 71.24 C ATOM 0 H ALA A 62 14.248 -3.787 -21.840 1.00 70.34 H new ATOM 0 HA ALA A 62 11.893 -3.248 -23.385 1.00 11.33 H new ATOM 0 HB1 ALA A 62 11.066 -5.291 -22.265 1.00 71.24 H new ATOM 0 HB2 ALA A 62 12.695 -5.523 -22.943 1.00 71.24 H new ATOM 0 HB3 ALA A 62 12.487 -5.270 -21.194 1.00 71.24 H new ATOM 975 N LEU A 63 12.008 -2.237 -20.327 1.00 42.43 N ATOM 976 CA LEU A 63 11.294 -1.499 -19.291 1.00 52.22 C ATOM 977 C LEU A 63 11.392 0.005 -19.528 1.00 32.14 C ATOM 978 O LEU A 63 11.216 0.801 -18.605 1.00 65.01 O ATOM 979 CB LEU A 63 11.854 -1.847 -17.911 1.00 61.21 C ATOM 980 CG LEU A 63 11.285 -3.105 -17.254 1.00 1.04 C ATOM 981 CD1 LEU A 63 11.342 -4.282 -18.215 1.00 22.23 C ATOM 982 CD2 LEU A 63 12.039 -3.424 -15.971 1.00 63.21 C ATOM 0 H LEU A 63 13.013 -2.317 -20.171 1.00 42.43 H new ATOM 0 HA LEU A 63 10.244 -1.787 -19.333 1.00 52.22 H new ATOM 0 HB2 LEU A 63 12.934 -1.964 -17.998 1.00 61.21 H new ATOM 0 HB3 LEU A 63 11.677 -1.002 -17.246 1.00 61.21 H new ATOM 0 HG LEU A 63 10.241 -2.919 -17.002 1.00 1.04 H new ATOM 0 HD11 LEU A 63 10.933 -5.168 -17.730 1.00 22.23 H new ATOM 0 HD12 LEU A 63 10.757 -4.053 -19.106 1.00 22.23 H new ATOM 0 HD13 LEU A 63 12.377 -4.470 -18.499 1.00 22.23 H new ATOM 0 HD21 LEU A 63 11.621 -4.322 -15.517 1.00 63.21 H new ATOM 0 HD22 LEU A 63 13.092 -3.589 -16.199 1.00 63.21 H new ATOM 0 HD23 LEU A 63 11.945 -2.589 -15.277 1.00 63.21 H new ATOM 994 N ARG A 64 11.671 0.386 -20.770 1.00 10.43 N ATOM 995 CA ARG A 64 11.791 1.795 -21.128 1.00 21.54 C ATOM 996 C ARG A 64 10.477 2.531 -20.886 1.00 74.12 C ATOM 997 O ARG A 64 9.417 2.093 -21.332 1.00 71.00 O ATOM 998 CB ARG A 64 12.206 1.937 -22.593 1.00 72.43 C ATOM 999 CG ARG A 64 13.707 1.843 -22.813 1.00 72.44 C ATOM 1000 CD ARG A 64 14.057 1.891 -24.292 1.00 41.53 C ATOM 1001 NE ARG A 64 13.252 0.959 -25.077 1.00 15.43 N ATOM 1002 CZ ARG A 64 13.081 1.061 -26.390 1.00 55.01 C ATOM 1003 NH1 ARG A 64 13.656 2.048 -27.063 1.00 1.15 N ATOM 1004 NH2 ARG A 64 12.333 0.174 -27.034 1.00 32.44 N ATOM 0 H ARG A 64 11.818 -0.260 -21.545 1.00 10.43 H new ATOM 0 HA ARG A 64 12.559 2.241 -20.496 1.00 21.54 H new ATOM 0 HB2 ARG A 64 11.712 1.161 -23.178 1.00 72.43 H new ATOM 0 HB3 ARG A 64 11.851 2.896 -22.971 1.00 72.43 H new ATOM 0 HG2 ARG A 64 14.204 2.662 -22.294 1.00 72.44 H new ATOM 0 HG3 ARG A 64 14.082 0.916 -22.379 1.00 72.44 H new ATOM 0 HD2 ARG A 64 13.907 2.904 -24.667 1.00 41.53 H new ATOM 0 HD3 ARG A 64 15.113 1.656 -24.422 1.00 41.53 H new ATOM 0 HE ARG A 64 12.796 0.187 -24.590 1.00 15.43 H new ATOM 0 HH11 ARG A 64 14.232 2.732 -26.572 1.00 1.15 H new ATOM 0 HH12 ARG A 64 13.522 2.123 -28.071 1.00 1.15 H new ATOM 0 HH21 ARG A 64 11.889 -0.587 -26.521 1.00 32.44 H new ATOM 0 HH22 ARG A 64 12.202 0.253 -28.042 1.00 32.44 H new ATOM 1018 N GLY A 65 10.554 3.653 -20.176 1.00 61.43 N ATOM 1019 CA GLY A 65 9.364 4.431 -19.887 1.00 41.33 C ATOM 1020 C GLY A 65 8.805 4.145 -18.508 1.00 2.55 C ATOM 1021 O GLY A 65 8.027 4.933 -17.970 1.00 42.35 O ATOM 0 H GLY A 65 11.419 4.037 -19.796 1.00 61.43 H new ATOM 0 HA2 GLY A 65 9.599 5.492 -19.967 1.00 41.33 H new ATOM 0 HA3 GLY A 65 8.602 4.216 -20.636 1.00 41.33 H new ATOM 1025 N MET A 66 9.201 3.014 -17.933 1.00 43.40 N ATOM 1026 CA MET A 66 8.734 2.627 -16.607 1.00 72.32 C ATOM 1027 C MET A 66 8.989 3.738 -15.594 1.00 43.11 C ATOM 1028 O MET A 66 9.895 4.554 -15.768 1.00 72.54 O ATOM 1029 CB MET A 66 9.426 1.340 -16.155 1.00 62.41 C ATOM 1030 CG MET A 66 8.638 0.558 -15.117 1.00 74.41 C ATOM 1031 SD MET A 66 8.826 -1.226 -15.301 1.00 20.25 S ATOM 1032 CE MET A 66 10.195 -1.538 -14.188 1.00 70.25 C ATOM 0 H MET A 66 9.844 2.350 -18.364 1.00 43.40 H new ATOM 0 HA MET A 66 7.660 2.453 -16.665 1.00 72.32 H new ATOM 0 HB2 MET A 66 9.597 0.705 -17.024 1.00 62.41 H new ATOM 0 HB3 MET A 66 10.405 1.588 -15.745 1.00 62.41 H new ATOM 0 HG2 MET A 66 8.965 0.853 -14.120 1.00 74.41 H new ATOM 0 HG3 MET A 66 7.582 0.818 -15.196 1.00 74.41 H new ATOM 0 HE1 MET A 66 10.328 -2.613 -14.068 1.00 70.25 H new ATOM 0 HE2 MET A 66 11.106 -1.103 -14.600 1.00 70.25 H new ATOM 0 HE3 MET A 66 9.985 -1.088 -13.218 1.00 70.25 H new ATOM 1042 N SER A 67 8.185 3.765 -14.536 1.00 24.41 N ATOM 1043 CA SER A 67 8.322 4.779 -13.497 1.00 63.31 C ATOM 1044 C SER A 67 9.079 4.225 -12.293 1.00 73.15 C ATOM 1045 O SER A 67 9.366 3.029 -12.221 1.00 53.42 O ATOM 1046 CB SER A 67 6.945 5.281 -13.061 1.00 12.41 C ATOM 1047 OG SER A 67 6.055 5.351 -14.162 1.00 2.12 O ATOM 0 H SER A 67 7.432 3.096 -14.376 1.00 24.41 H new ATOM 0 HA SER A 67 8.891 5.612 -13.910 1.00 63.31 H new ATOM 0 HB2 SER A 67 6.536 4.616 -12.301 1.00 12.41 H new ATOM 0 HB3 SER A 67 7.041 6.266 -12.604 1.00 12.41 H new ATOM 0 HG SER A 67 5.181 5.673 -13.856 1.00 2.12 H new ATOM 1053 N THR A 68 9.400 5.103 -11.349 1.00 14.44 N ATOM 1054 CA THR A 68 10.123 4.705 -10.148 1.00 64.42 C ATOM 1055 C THR A 68 9.304 3.730 -9.310 1.00 70.23 C ATOM 1056 O THR A 68 9.802 2.684 -8.896 1.00 31.25 O ATOM 1057 CB THR A 68 10.491 5.925 -9.283 1.00 22.54 C ATOM 1058 OG1 THR A 68 11.316 6.825 -10.031 1.00 14.35 O ATOM 1059 CG2 THR A 68 11.220 5.492 -8.020 1.00 22.25 C ATOM 0 H THR A 68 9.170 6.096 -11.393 1.00 14.44 H new ATOM 0 HA THR A 68 11.038 4.215 -10.479 1.00 64.42 H new ATOM 0 HB THR A 68 9.569 6.431 -8.996 1.00 22.54 H new ATOM 0 HG1 THR A 68 11.544 7.599 -9.475 1.00 14.35 H new ATOM 0 HG21 THR A 68 11.470 6.370 -7.425 1.00 22.25 H new ATOM 0 HG22 THR A 68 10.578 4.830 -7.438 1.00 22.25 H new ATOM 0 HG23 THR A 68 12.135 4.965 -8.291 1.00 22.25 H new ATOM 1067 N GLU A 69 8.045 4.080 -9.066 1.00 30.20 N ATOM 1068 CA GLU A 69 7.157 3.234 -8.277 1.00 1.01 C ATOM 1069 C GLU A 69 6.858 1.928 -9.008 1.00 12.33 C ATOM 1070 O GLU A 69 6.730 0.873 -8.388 1.00 30.33 O ATOM 1071 CB GLU A 69 5.852 3.972 -7.972 1.00 34.50 C ATOM 1072 CG GLU A 69 6.035 5.192 -7.085 1.00 74.41 C ATOM 1073 CD GLU A 69 5.624 4.935 -5.648 1.00 55.32 C ATOM 1074 OE1 GLU A 69 4.446 4.587 -5.420 1.00 42.33 O ATOM 1075 OE2 GLU A 69 6.480 5.083 -4.751 1.00 63.34 O ATOM 0 H GLU A 69 7.617 4.943 -9.403 1.00 30.20 H new ATOM 0 HA GLU A 69 7.660 2.998 -7.339 1.00 1.01 H new ATOM 0 HB2 GLU A 69 5.392 4.281 -8.910 1.00 34.50 H new ATOM 0 HB3 GLU A 69 5.159 3.283 -7.489 1.00 34.50 H new ATOM 0 HG2 GLU A 69 7.080 5.502 -7.110 1.00 74.41 H new ATOM 0 HG3 GLU A 69 5.448 6.019 -7.485 1.00 74.41 H new ATOM 1082 N SER A 70 6.747 2.009 -10.330 1.00 14.12 N ATOM 1083 CA SER A 70 6.458 0.836 -11.146 1.00 31.53 C ATOM 1084 C SER A 70 7.526 -0.237 -10.952 1.00 51.34 C ATOM 1085 O SER A 70 7.219 -1.425 -10.868 1.00 24.43 O ATOM 1086 CB SER A 70 6.371 1.224 -12.623 1.00 12.11 C ATOM 1087 OG SER A 70 6.031 0.106 -13.425 1.00 45.31 O ATOM 0 H SER A 70 6.853 2.875 -10.859 1.00 14.12 H new ATOM 0 HA SER A 70 5.498 0.430 -10.828 1.00 31.53 H new ATOM 0 HB2 SER A 70 5.626 2.009 -12.753 1.00 12.11 H new ATOM 0 HB3 SER A 70 7.326 1.634 -12.951 1.00 12.11 H new ATOM 0 HG SER A 70 5.672 0.416 -14.283 1.00 45.31 H new ATOM 1093 N ALA A 71 8.782 0.193 -10.884 1.00 15.54 N ATOM 1094 CA ALA A 71 9.896 -0.728 -10.698 1.00 54.03 C ATOM 1095 C ALA A 71 9.937 -1.259 -9.269 1.00 43.33 C ATOM 1096 O ALA A 71 9.998 -2.468 -9.046 1.00 74.14 O ATOM 1097 CB ALA A 71 11.209 -0.045 -11.048 1.00 43.22 C ATOM 0 H ALA A 71 9.053 1.174 -10.955 1.00 15.54 H new ATOM 0 HA ALA A 71 9.751 -1.575 -11.368 1.00 54.03 H new ATOM 0 HB1 ALA A 71 12.033 -0.744 -10.904 1.00 43.22 H new ATOM 0 HB2 ALA A 71 11.185 0.278 -12.089 1.00 43.22 H new ATOM 0 HB3 ALA A 71 11.352 0.821 -10.402 1.00 43.22 H new ATOM 1103 N LYS A 72 9.905 -0.347 -8.303 1.00 44.14 N ATOM 1104 CA LYS A 72 9.939 -0.722 -6.895 1.00 31.31 C ATOM 1105 C LYS A 72 8.791 -1.668 -6.556 1.00 61.14 C ATOM 1106 O LYS A 72 8.909 -2.506 -5.663 1.00 12.33 O ATOM 1107 CB LYS A 72 9.863 0.525 -6.011 1.00 44.15 C ATOM 1108 CG LYS A 72 11.091 1.414 -6.108 1.00 40.22 C ATOM 1109 CD LYS A 72 10.799 2.823 -5.619 1.00 41.04 C ATOM 1110 CE LYS A 72 11.993 3.418 -4.889 1.00 44.34 C ATOM 1111 NZ LYS A 72 11.796 4.864 -4.589 1.00 60.54 N ATOM 0 H LYS A 72 9.856 0.658 -8.470 1.00 44.14 H new ATOM 0 HA LYS A 72 10.880 -1.238 -6.705 1.00 31.31 H new ATOM 0 HB2 LYS A 72 8.982 1.104 -6.289 1.00 44.15 H new ATOM 0 HB3 LYS A 72 9.728 0.218 -4.974 1.00 44.15 H new ATOM 0 HG2 LYS A 72 11.900 0.984 -5.518 1.00 40.22 H new ATOM 0 HG3 LYS A 72 11.434 1.450 -7.142 1.00 40.22 H new ATOM 0 HD2 LYS A 72 10.537 3.456 -6.466 1.00 41.04 H new ATOM 0 HD3 LYS A 72 9.936 2.807 -4.954 1.00 41.04 H new ATOM 0 HE2 LYS A 72 12.158 2.874 -3.959 1.00 44.34 H new ATOM 0 HE3 LYS A 72 12.889 3.292 -5.496 1.00 44.34 H new ATOM 0 HZ1 LYS A 72 12.718 5.345 -4.578 1.00 60.54 H new ATOM 0 HZ2 LYS A 72 11.191 5.291 -5.319 1.00 60.54 H new ATOM 0 HZ3 LYS A 72 11.341 4.967 -3.659 1.00 60.54 H new ATOM 1125 N GLU A 73 7.683 -1.529 -7.277 1.00 50.44 N ATOM 1126 CA GLU A 73 6.515 -2.372 -7.053 1.00 31.15 C ATOM 1127 C GLU A 73 6.749 -3.781 -7.591 1.00 40.51 C ATOM 1128 O GLU A 73 6.093 -4.734 -7.172 1.00 51.42 O ATOM 1129 CB GLU A 73 5.280 -1.759 -7.716 1.00 61.04 C ATOM 1130 CG GLU A 73 4.497 -0.829 -6.805 1.00 24.02 C ATOM 1131 CD GLU A 73 3.283 -0.230 -7.487 1.00 12.33 C ATOM 1132 OE1 GLU A 73 3.432 0.815 -8.154 1.00 15.45 O ATOM 1133 OE2 GLU A 73 2.183 -0.807 -7.353 1.00 43.22 O ATOM 0 H GLU A 73 7.570 -0.841 -8.021 1.00 50.44 H new ATOM 0 HA GLU A 73 6.346 -2.436 -5.978 1.00 31.15 H new ATOM 0 HB2 GLU A 73 5.591 -1.207 -8.603 1.00 61.04 H new ATOM 0 HB3 GLU A 73 4.623 -2.561 -8.053 1.00 61.04 H new ATOM 0 HG2 GLU A 73 4.177 -1.378 -5.919 1.00 24.02 H new ATOM 0 HG3 GLU A 73 5.150 -0.026 -6.464 1.00 24.02 H new ATOM 1140 N ALA A 74 7.689 -3.903 -8.523 1.00 12.31 N ATOM 1141 CA ALA A 74 8.011 -5.194 -9.118 1.00 40.41 C ATOM 1142 C ALA A 74 9.052 -5.937 -8.287 1.00 52.35 C ATOM 1143 O ALA A 74 9.125 -7.165 -8.321 1.00 33.35 O ATOM 1144 CB ALA A 74 8.506 -5.008 -10.545 1.00 20.12 C ATOM 0 H ALA A 74 8.240 -3.124 -8.882 1.00 12.31 H new ATOM 0 HA ALA A 74 7.102 -5.796 -9.136 1.00 40.41 H new ATOM 0 HB1 ALA A 74 8.743 -5.980 -10.978 1.00 20.12 H new ATOM 0 HB2 ALA A 74 7.730 -4.526 -11.139 1.00 20.12 H new ATOM 0 HB3 ALA A 74 9.400 -4.385 -10.542 1.00 20.12 H new ATOM 1150 N TYR A 75 9.855 -5.184 -7.544 1.00 65.32 N ATOM 1151 CA TYR A 75 10.895 -5.772 -6.707 1.00 73.02 C ATOM 1152 C TYR A 75 10.288 -6.463 -5.490 1.00 71.30 C ATOM 1153 O TYR A 75 10.921 -7.315 -4.865 1.00 54.31 O ATOM 1154 CB TYR A 75 11.884 -4.696 -6.256 1.00 24.50 C ATOM 1155 CG TYR A 75 13.279 -5.224 -6.005 1.00 11.03 C ATOM 1156 CD1 TYR A 75 13.564 -5.979 -4.873 1.00 53.14 C ATOM 1157 CD2 TYR A 75 14.312 -4.967 -6.898 1.00 12.24 C ATOM 1158 CE1 TYR A 75 14.837 -6.462 -4.639 1.00 75.41 C ATOM 1159 CE2 TYR A 75 15.587 -5.447 -6.672 1.00 61.52 C ATOM 1160 CZ TYR A 75 15.845 -6.194 -5.542 1.00 34.54 C ATOM 1161 OH TYR A 75 17.114 -6.674 -5.313 1.00 10.12 O ATOM 0 H TYR A 75 9.806 -4.166 -7.504 1.00 65.32 H new ATOM 0 HA TYR A 75 11.425 -6.518 -7.299 1.00 73.02 H new ATOM 0 HB2 TYR A 75 11.931 -3.916 -7.016 1.00 24.50 H new ATOM 0 HB3 TYR A 75 11.511 -4.231 -5.344 1.00 24.50 H new ATOM 0 HD1 TYR A 75 12.777 -6.192 -4.165 1.00 53.14 H new ATOM 0 HD2 TYR A 75 14.114 -4.382 -7.784 1.00 12.24 H new ATOM 0 HE1 TYR A 75 15.042 -7.046 -3.754 1.00 75.41 H new ATOM 0 HE2 TYR A 75 16.378 -5.238 -7.377 1.00 61.52 H new ATOM 0 HH TYR A 75 17.762 -5.945 -5.410 1.00 10.12 H new ATOM 1171 N VAL A 76 9.055 -6.091 -5.159 1.00 44.24 N ATOM 1172 CA VAL A 76 8.360 -6.675 -4.019 1.00 23.14 C ATOM 1173 C VAL A 76 7.545 -7.894 -4.437 1.00 2.50 C ATOM 1174 O VAL A 76 7.375 -8.836 -3.664 1.00 21.34 O ATOM 1175 CB VAL A 76 7.426 -5.652 -3.347 1.00 14.23 C ATOM 1176 CG1 VAL A 76 6.841 -6.224 -2.064 1.00 50.13 C ATOM 1177 CG2 VAL A 76 8.168 -4.353 -3.071 1.00 23.21 C ATOM 0 H VAL A 76 8.517 -5.387 -5.665 1.00 44.24 H new ATOM 0 HA VAL A 76 9.125 -6.981 -3.305 1.00 23.14 H new ATOM 0 HB VAL A 76 6.603 -5.436 -4.029 1.00 14.23 H new ATOM 0 HG11 VAL A 76 6.184 -5.487 -1.603 1.00 50.13 H new ATOM 0 HG12 VAL A 76 6.271 -7.125 -2.294 1.00 50.13 H new ATOM 0 HG13 VAL A 76 7.648 -6.471 -1.375 1.00 50.13 H new ATOM 0 HG21 VAL A 76 7.492 -3.642 -2.596 1.00 23.21 H new ATOM 0 HG22 VAL A 76 9.012 -4.549 -2.409 1.00 23.21 H new ATOM 0 HG23 VAL A 76 8.532 -3.936 -4.010 1.00 23.21 H new ATOM 1187 N LYS A 77 7.043 -7.868 -5.667 1.00 35.43 N ATOM 1188 CA LYS A 77 6.246 -8.971 -6.191 1.00 32.32 C ATOM 1189 C LYS A 77 7.140 -10.046 -6.802 1.00 54.31 C ATOM 1190 O LYS A 77 6.870 -11.240 -6.671 1.00 21.42 O ATOM 1191 CB LYS A 77 5.256 -8.459 -7.239 1.00 72.25 C ATOM 1192 CG LYS A 77 4.096 -7.676 -6.650 1.00 32.05 C ATOM 1193 CD LYS A 77 2.972 -8.596 -6.203 1.00 54.24 C ATOM 1194 CE LYS A 77 2.072 -8.982 -7.368 1.00 24.13 C ATOM 1195 NZ LYS A 77 0.714 -9.387 -6.909 1.00 45.42 N ATOM 0 H LYS A 77 7.174 -7.095 -6.320 1.00 35.43 H new ATOM 0 HA LYS A 77 5.692 -9.412 -5.362 1.00 32.32 H new ATOM 0 HB2 LYS A 77 5.787 -7.825 -7.949 1.00 72.25 H new ATOM 0 HB3 LYS A 77 4.863 -9.307 -7.800 1.00 72.25 H new ATOM 0 HG2 LYS A 77 4.446 -7.089 -5.801 1.00 32.05 H new ATOM 0 HG3 LYS A 77 3.718 -6.971 -7.391 1.00 32.05 H new ATOM 0 HD2 LYS A 77 3.393 -9.495 -5.754 1.00 54.24 H new ATOM 0 HD3 LYS A 77 2.380 -8.102 -5.433 1.00 54.24 H new ATOM 0 HE2 LYS A 77 1.987 -8.141 -8.056 1.00 24.13 H new ATOM 0 HE3 LYS A 77 2.528 -9.802 -7.923 1.00 24.13 H new ATOM 0 HZ1 LYS A 77 0.131 -9.642 -7.732 1.00 45.42 H new ATOM 0 HZ2 LYS A 77 0.792 -10.206 -6.273 1.00 45.42 H new ATOM 0 HZ3 LYS A 77 0.269 -8.596 -6.402 1.00 45.42 H new ATOM 1209 N LEU A 78 8.204 -9.614 -7.469 1.00 3.12 N ATOM 1210 CA LEU A 78 9.139 -10.539 -8.099 1.00 64.33 C ATOM 1211 C LEU A 78 9.993 -11.249 -7.053 1.00 14.44 C ATOM 1212 O LEU A 78 10.186 -12.464 -7.113 1.00 52.30 O ATOM 1213 CB LEU A 78 10.039 -9.793 -9.086 1.00 73.14 C ATOM 1214 CG LEU A 78 10.928 -10.664 -9.975 1.00 13.01 C ATOM 1215 CD1 LEU A 78 12.149 -11.140 -9.205 1.00 5.15 C ATOM 1216 CD2 LEU A 78 10.142 -11.849 -10.517 1.00 40.14 C ATOM 0 H LEU A 78 8.441 -8.629 -7.588 1.00 3.12 H new ATOM 0 HA LEU A 78 8.560 -11.289 -8.639 1.00 64.33 H new ATOM 0 HB2 LEU A 78 9.409 -9.178 -9.728 1.00 73.14 H new ATOM 0 HB3 LEU A 78 10.678 -9.114 -8.522 1.00 73.14 H new ATOM 0 HG LEU A 78 11.267 -10.062 -10.818 1.00 13.01 H new ATOM 0 HD11 LEU A 78 12.770 -11.758 -9.853 1.00 5.15 H new ATOM 0 HD12 LEU A 78 12.724 -10.278 -8.866 1.00 5.15 H new ATOM 0 HD13 LEU A 78 11.830 -11.725 -8.343 1.00 5.15 H new ATOM 0 HD21 LEU A 78 10.790 -12.458 -11.147 1.00 40.14 H new ATOM 0 HD22 LEU A 78 9.773 -12.451 -9.687 1.00 40.14 H new ATOM 0 HD23 LEU A 78 9.299 -11.488 -11.106 1.00 40.14 H new ATOM 1228 N LEU A 79 10.499 -10.483 -6.092 1.00 63.14 N ATOM 1229 CA LEU A 79 11.330 -11.038 -5.030 1.00 24.42 C ATOM 1230 C LEU A 79 10.623 -12.197 -4.334 1.00 52.21 C ATOM 1231 O LEU A 79 11.267 -13.081 -3.769 1.00 14.25 O ATOM 1232 CB LEU A 79 11.681 -9.953 -4.010 1.00 31.51 C ATOM 1233 CG LEU A 79 12.522 -10.403 -2.814 1.00 52.45 C ATOM 1234 CD1 LEU A 79 13.722 -11.212 -3.280 1.00 71.41 C ATOM 1235 CD2 LEU A 79 12.972 -9.200 -1.997 1.00 70.43 C ATOM 0 H LEU A 79 10.348 -9.476 -6.027 1.00 63.14 H new ATOM 0 HA LEU A 79 12.248 -11.415 -5.481 1.00 24.42 H new ATOM 0 HB2 LEU A 79 12.217 -9.157 -4.526 1.00 31.51 H new ATOM 0 HB3 LEU A 79 10.753 -9.522 -3.635 1.00 31.51 H new ATOM 0 HG LEU A 79 11.906 -11.039 -2.179 1.00 52.45 H new ATOM 0 HD11 LEU A 79 14.309 -11.524 -2.416 1.00 71.41 H new ATOM 0 HD12 LEU A 79 13.379 -12.093 -3.822 1.00 71.41 H new ATOM 0 HD13 LEU A 79 14.340 -10.600 -3.937 1.00 71.41 H new ATOM 0 HD21 LEU A 79 13.569 -9.538 -1.150 1.00 70.43 H new ATOM 0 HD22 LEU A 79 13.572 -8.539 -2.623 1.00 70.43 H new ATOM 0 HD23 LEU A 79 12.098 -8.660 -1.632 1.00 70.43 H new ATOM 1247 N ASP A 80 9.295 -12.187 -4.382 1.00 3.42 N ATOM 1248 CA ASP A 80 8.500 -13.238 -3.759 1.00 32.20 C ATOM 1249 C ASP A 80 8.825 -14.598 -4.368 1.00 72.52 C ATOM 1250 O ASP A 80 8.590 -15.639 -3.753 1.00 75.11 O ATOM 1251 CB ASP A 80 7.008 -12.939 -3.915 1.00 40.21 C ATOM 1252 CG ASP A 80 6.143 -13.853 -3.070 1.00 75.15 C ATOM 1253 OD1 ASP A 80 6.547 -14.169 -1.932 1.00 5.01 O ATOM 1254 OD2 ASP A 80 5.060 -14.252 -3.548 1.00 31.14 O ATOM 0 H ASP A 80 8.747 -11.463 -4.846 1.00 3.42 H new ATOM 0 HA ASP A 80 8.748 -13.266 -2.698 1.00 32.20 H new ATOM 0 HB2 ASP A 80 6.817 -11.903 -3.636 1.00 40.21 H new ATOM 0 HB3 ASP A 80 6.727 -13.044 -4.963 1.00 40.21 H new ATOM 1259 N THR A 81 9.366 -14.583 -5.582 1.00 64.43 N ATOM 1260 CA THR A 81 9.722 -15.815 -6.276 1.00 54.10 C ATOM 1261 C THR A 81 11.124 -16.276 -5.895 1.00 13.03 C ATOM 1262 O THR A 81 11.438 -17.465 -5.965 1.00 11.05 O ATOM 1263 CB THR A 81 9.649 -15.640 -7.805 1.00 1.54 C ATOM 1264 OG1 THR A 81 9.462 -16.911 -8.435 1.00 75.33 O ATOM 1265 CG2 THR A 81 10.917 -14.987 -8.335 1.00 53.21 C ATOM 0 H THR A 81 9.567 -13.731 -6.105 1.00 64.43 H new ATOM 0 HA THR A 81 8.999 -16.570 -5.969 1.00 54.10 H new ATOM 0 HB THR A 81 8.802 -14.993 -8.035 1.00 1.54 H new ATOM 0 HG1 THR A 81 9.415 -16.791 -9.406 1.00 75.33 H new ATOM 0 HG21 THR A 81 10.843 -14.873 -9.417 1.00 53.21 H new ATOM 0 HG22 THR A 81 11.041 -14.007 -7.875 1.00 53.21 H new ATOM 0 HG23 THR A 81 11.777 -15.612 -8.094 1.00 53.21 H new ATOM 1273 N LEU A 82 11.963 -15.329 -5.491 1.00 23.12 N ATOM 1274 CA LEU A 82 13.333 -15.639 -5.097 1.00 44.40 C ATOM 1275 C LEU A 82 13.404 -16.015 -3.621 1.00 32.24 C ATOM 1276 O LEU A 82 13.851 -17.106 -3.269 1.00 32.41 O ATOM 1277 CB LEU A 82 14.247 -14.443 -5.374 1.00 70.43 C ATOM 1278 CG LEU A 82 14.325 -13.981 -6.830 1.00 34.41 C ATOM 1279 CD1 LEU A 82 14.128 -12.476 -6.923 1.00 64.34 C ATOM 1280 CD2 LEU A 82 15.655 -14.387 -7.448 1.00 33.20 C ATOM 0 H LEU A 82 11.719 -14.341 -5.428 1.00 23.12 H new ATOM 0 HA LEU A 82 13.670 -16.492 -5.687 1.00 44.40 H new ATOM 0 HB2 LEU A 82 13.909 -13.604 -4.765 1.00 70.43 H new ATOM 0 HB3 LEU A 82 15.253 -14.695 -5.039 1.00 70.43 H new ATOM 0 HG LEU A 82 13.525 -14.466 -7.389 1.00 34.41 H new ATOM 0 HD11 LEU A 82 14.187 -12.165 -7.966 1.00 64.34 H new ATOM 0 HD12 LEU A 82 13.150 -12.211 -6.520 1.00 64.34 H new ATOM 0 HD13 LEU A 82 14.906 -11.971 -6.350 1.00 64.34 H new ATOM 0 HD21 LEU A 82 15.693 -14.050 -8.484 1.00 33.20 H new ATOM 0 HD22 LEU A 82 16.471 -13.930 -6.888 1.00 33.20 H new ATOM 0 HD23 LEU A 82 15.755 -15.472 -7.415 1.00 33.20 H new ATOM 1292 N ALA A 83 12.957 -15.105 -2.761 1.00 64.02 N ATOM 1293 CA ALA A 83 12.966 -15.343 -1.323 1.00 73.32 C ATOM 1294 C ALA A 83 11.699 -14.802 -0.670 1.00 34.33 C ATOM 1295 O ALA A 83 11.673 -13.695 -0.132 1.00 31.23 O ATOM 1296 CB ALA A 83 14.198 -14.714 -0.691 1.00 42.40 C ATOM 0 H ALA A 83 12.584 -14.196 -3.036 1.00 64.02 H new ATOM 0 HA ALA A 83 12.997 -16.420 -1.158 1.00 73.32 H new ATOM 0 HB1 ALA A 83 14.191 -14.900 0.383 1.00 42.40 H new ATOM 0 HB2 ALA A 83 15.095 -15.151 -1.129 1.00 42.40 H new ATOM 0 HB3 ALA A 83 14.192 -13.639 -0.873 1.00 42.40 H new ATOM 1302 N PRO A 84 10.621 -15.599 -0.717 1.00 31.43 N ATOM 1303 CA PRO A 84 9.330 -15.221 -0.134 1.00 2.21 C ATOM 1304 C PRO A 84 9.367 -15.196 1.390 1.00 22.43 C ATOM 1305 O PRO A 84 8.408 -14.776 2.037 1.00 1.03 O ATOM 1306 CB PRO A 84 8.383 -16.317 -0.628 1.00 53.43 C ATOM 1307 CG PRO A 84 9.262 -17.492 -0.881 1.00 62.14 C ATOM 1308 CD PRO A 84 10.580 -16.932 -1.342 1.00 34.12 C ATOM 0 HA PRO A 84 9.030 -14.215 -0.427 1.00 2.21 H new ATOM 0 HB2 PRO A 84 7.620 -16.546 0.116 1.00 53.43 H new ATOM 0 HB3 PRO A 84 7.861 -16.010 -1.535 1.00 53.43 H new ATOM 0 HG2 PRO A 84 9.386 -18.088 0.023 1.00 62.14 H new ATOM 0 HG3 PRO A 84 8.830 -18.147 -1.638 1.00 62.14 H new ATOM 0 HD2 PRO A 84 11.416 -17.553 -1.019 1.00 34.12 H new ATOM 0 HD3 PRO A 84 10.631 -16.868 -2.429 1.00 34.12 H new ATOM 1316 N SER A 85 10.480 -15.649 1.958 1.00 25.20 N ATOM 1317 CA SER A 85 10.641 -15.682 3.407 1.00 32.30 C ATOM 1318 C SER A 85 10.812 -14.273 3.967 1.00 73.41 C ATOM 1319 O SER A 85 10.802 -14.071 5.181 1.00 25.01 O ATOM 1320 CB SER A 85 11.846 -16.545 3.789 1.00 55.54 C ATOM 1321 OG SER A 85 11.954 -17.674 2.939 1.00 12.24 O ATOM 0 H SER A 85 11.284 -15.998 1.437 1.00 25.20 H new ATOM 0 HA SER A 85 9.740 -16.119 3.838 1.00 32.30 H new ATOM 0 HB2 SER A 85 12.757 -15.950 3.727 1.00 55.54 H new ATOM 0 HB3 SER A 85 11.749 -16.873 4.824 1.00 55.54 H new ATOM 0 HG SER A 85 12.732 -18.208 3.202 1.00 12.24 H new ATOM 1327 N TRP A 86 10.968 -13.304 3.073 1.00 15.41 N ATOM 1328 CA TRP A 86 11.141 -11.913 3.477 1.00 52.21 C ATOM 1329 C TRP A 86 9.798 -11.271 3.809 1.00 22.24 C ATOM 1330 O TRP A 86 9.729 -10.329 4.599 1.00 51.25 O ATOM 1331 CB TRP A 86 11.838 -11.122 2.369 1.00 53.41 C ATOM 1332 CG TRP A 86 10.897 -10.618 1.317 1.00 54.22 C ATOM 1333 CD1 TRP A 86 10.076 -11.368 0.524 1.00 31.10 C ATOM 1334 CD2 TRP A 86 10.681 -9.253 0.942 1.00 3.23 C ATOM 1335 NE1 TRP A 86 9.363 -10.552 -0.321 1.00 3.31 N ATOM 1336 CE2 TRP A 86 9.716 -9.250 -0.083 1.00 52.55 C ATOM 1337 CE3 TRP A 86 11.208 -8.033 1.375 1.00 43.01 C ATOM 1338 CZ2 TRP A 86 9.270 -8.074 -0.682 1.00 32.13 C ATOM 1339 CZ3 TRP A 86 10.765 -6.867 0.780 1.00 72.31 C ATOM 1340 CH2 TRP A 86 9.803 -6.894 -0.239 1.00 31.23 C ATOM 0 H TRP A 86 10.978 -13.455 2.064 1.00 15.41 H new ATOM 0 HA TRP A 86 11.762 -11.895 4.373 1.00 52.21 H new ATOM 0 HB2 TRP A 86 12.363 -10.276 2.812 1.00 53.41 H new ATOM 0 HB3 TRP A 86 12.591 -11.755 1.900 1.00 53.41 H new ATOM 0 HD1 TRP A 86 9.999 -12.445 0.556 1.00 31.10 H new ATOM 0 HE1 TRP A 86 8.682 -10.865 -1.013 1.00 3.31 H new ATOM 0 HE3 TRP A 86 11.948 -8.002 2.161 1.00 43.01 H new ATOM 0 HZ2 TRP A 86 8.530 -8.093 -1.468 1.00 32.13 H new ATOM 0 HZ3 TRP A 86 11.167 -5.919 1.106 1.00 72.31 H new ATOM 0 HH2 TRP A 86 9.476 -5.965 -0.683 1.00 31.23 H new ATOM 1351 N ARG A 87 8.734 -11.788 3.203 1.00 2.52 N ATOM 1352 CA ARG A 87 7.394 -11.263 3.435 1.00 34.40 C ATOM 1353 C ARG A 87 6.642 -12.122 4.448 1.00 11.12 C ATOM 1354 O ARG A 87 5.738 -11.644 5.132 1.00 3.33 O ATOM 1355 CB ARG A 87 6.612 -11.204 2.121 1.00 10.03 C ATOM 1356 CG ARG A 87 6.486 -12.550 1.426 1.00 12.23 C ATOM 1357 CD ARG A 87 5.405 -12.525 0.356 1.00 24.15 C ATOM 1358 NE ARG A 87 5.690 -11.542 -0.686 1.00 35.51 N ATOM 1359 CZ ARG A 87 4.829 -11.218 -1.644 1.00 53.21 C ATOM 1360 NH1 ARG A 87 3.636 -11.794 -1.691 1.00 72.44 N ATOM 1361 NH2 ARG A 87 5.160 -10.314 -2.557 1.00 65.13 N ATOM 0 H ARG A 87 8.774 -12.569 2.548 1.00 2.52 H new ATOM 0 HA ARG A 87 7.490 -10.255 3.839 1.00 34.40 H new ATOM 0 HB2 ARG A 87 5.614 -10.812 2.319 1.00 10.03 H new ATOM 0 HB3 ARG A 87 7.102 -10.501 1.447 1.00 10.03 H new ATOM 0 HG2 ARG A 87 7.441 -12.818 0.974 1.00 12.23 H new ATOM 0 HG3 ARG A 87 6.254 -13.320 2.161 1.00 12.23 H new ATOM 0 HD2 ARG A 87 5.316 -13.514 -0.093 1.00 24.15 H new ATOM 0 HD3 ARG A 87 4.444 -12.297 0.817 1.00 24.15 H new ATOM 0 HE ARG A 87 6.599 -11.079 -0.678 1.00 35.51 H new ATOM 0 HH11 ARG A 87 3.377 -12.488 -0.990 1.00 72.44 H new ATOM 0 HH12 ARG A 87 2.977 -11.543 -2.428 1.00 72.44 H new ATOM 0 HH21 ARG A 87 6.076 -9.867 -2.524 1.00 65.13 H new ATOM 0 HH22 ARG A 87 4.498 -10.066 -3.292 1.00 65.13 H new ATOM 1375 N ASN A 88 7.022 -13.392 4.537 1.00 22.34 N ATOM 1376 CA ASN A 88 6.383 -14.318 5.466 1.00 44.11 C ATOM 1377 C ASN A 88 6.601 -13.876 6.910 1.00 21.50 C ATOM 1378 O ASN A 88 5.986 -14.412 7.832 1.00 10.50 O ATOM 1379 CB ASN A 88 6.930 -15.733 5.265 1.00 2.33 C ATOM 1380 CG ASN A 88 6.081 -16.551 4.312 1.00 31.00 C ATOM 1381 OD1 ASN A 88 5.061 -17.119 4.703 1.00 51.31 O ATOM 1382 ND2 ASN A 88 6.500 -16.615 3.053 1.00 35.34 N ATOM 0 H ASN A 88 7.769 -13.804 3.978 1.00 22.34 H new ATOM 0 HA ASN A 88 5.312 -14.318 5.262 1.00 44.11 H new ATOM 0 HB2 ASN A 88 7.949 -15.675 4.881 1.00 2.33 H new ATOM 0 HB3 ASN A 88 6.981 -16.240 6.228 1.00 2.33 H new ATOM 0 HD21 ASN A 88 5.970 -17.151 2.366 1.00 35.34 H new ATOM 0 HD22 ASN A 88 7.352 -16.128 2.774 1.00 35.34 H new