USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1125 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 LYS NZ :NH3+ 168:sc= 0.165 (180deg=0) USER MOD Set 1.2: A 112 MET CE :methyl 161:sc= 0 (180deg=-0.422) USER MOD Set 1.3: A 143 THR OG1 : rot 60:sc= 1.5 USER MOD Set 2.1: A 67 ASN : amide:sc= 0.415 K(o=0.85,f=-0.52) USER MOD Set 2.2: A 79 LYS NZ :NH3+ 167:sc= 0.437 (180deg=0) USER MOD Set 3.1: A 64 GLN : amide:sc= 1.03 K(o=2.2,f=0.1) USER MOD Set 3.2: A 69 HIS : no HD1:sc= 1.22 K(o=2.2,f=-9!) USER MOD Set 4.1: A 31 GLN : amide:sc= 1.06 K(o=1.2,f=-1.5) USER MOD Set 4.2: A 35 ASN : amide:sc= 0.0979 K(o=1.2,f=-0.24!) USER MOD Single : A 1 SER N :NH3+ -141:sc= 0 (180deg=-0.352) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 166:sc=-0.00506 (180deg=-0.265) USER MOD Single : A 6 LYS NZ :NH3+ 168:sc=-0.00156 (180deg=-0.146) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= 0.472 K(o=0.47,f=-6.2!) USER MOD Single : A 14 LYS NZ :NH3+ 174:sc= 1.05 (180deg=1.02) USER MOD Single : A 16 MET CE :methyl -173:sc= -0.0367 (180deg=-0.157) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.564 K(o=0.56,f=-0.0058) USER MOD Single : A 24 ASN : amide:sc= 0.619 K(o=0.62,f=0) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.34) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0819 K(o=-0.082,f=-0.76) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 153:sc= 0.0227 (180deg=-0.38) USER MOD Single : A 66 MET CE :methyl 167:sc=-0.00122 (180deg=-0.222) USER MOD Single : A 70 HIS : no HE2:sc= -0.469! C(o=-0.47!,f=-3.4!) USER MOD Single : A 72 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000904) USER MOD Single : A 74 MET CE :methyl -121:sc= 0 (180deg=-0.144) USER MOD Single : A 78 MET CE :methyl 165:sc=-0.00208 (180deg=-0.283) USER MOD Single : A 80 HIS : no HD1:sc= 0.13 K(o=0.13,f=-5.8!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.281 X(o=-0.28,f=0.003) USER MOD Single : A 95 HIS : +bothHN:sc= 1.96 K(o=2,f=-7.3!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0.504 USER MOD Single : A 114 ASN : amide:sc= 0.505 K(o=0.51,f=-0.86) USER MOD Single : A 117 MET CE :methyl -164:sc= -0.0515 (180deg=-0.411) USER MOD Single : A 120 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.287) USER MOD Single : A 124 HIS : no HD1:sc= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 125 LYS NZ :NH3+ -168:sc= 0.533 (180deg=0.45) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.0299 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 18.247 -22.579 0.744 1.00 15.15 N ATOM 2 CA SER A 1 16.744 -22.690 0.926 1.00 20.44 C ATOM 3 C SER A 1 16.276 -23.079 2.320 1.00 12.41 C ATOM 4 O SER A 1 15.299 -22.536 2.839 1.00 55.42 O ATOM 5 CB SER A 1 16.144 -23.724 -0.074 1.00 74.53 C ATOM 6 OG SER A 1 16.280 -23.303 -1.431 1.00 61.33 O ATOM 0 H1 SER A 1 18.463 -21.768 0.130 1.00 15.15 H new ATOM 0 H2 SER A 1 18.700 -22.442 1.670 1.00 15.15 H new ATOM 0 H3 SER A 1 18.609 -23.451 0.307 1.00 15.15 H new ATOM 0 HA SER A 1 16.388 -21.677 0.740 1.00 20.44 H new ATOM 0 HB2 SER A 1 16.641 -24.685 0.058 1.00 74.53 H new ATOM 0 HB3 SER A 1 15.089 -23.877 0.153 1.00 74.53 H new ATOM 0 HG SER A 1 15.893 -23.980 -2.024 1.00 61.33 H new ATOM 14 N LYS A 2 16.967 -24.039 2.975 1.00 64.00 N ATOM 15 CA LYS A 2 16.497 -24.702 4.173 1.00 64.25 C ATOM 16 C LYS A 2 16.739 -23.821 5.379 1.00 52.44 C ATOM 17 O LYS A 2 17.870 -23.469 5.702 1.00 64.13 O ATOM 18 CB LYS A 2 17.196 -26.069 4.395 1.00 12.12 C ATOM 19 CG LYS A 2 16.916 -27.121 3.302 1.00 22.21 C ATOM 20 CD LYS A 2 15.448 -27.582 3.245 1.00 72.32 C ATOM 21 CE LYS A 2 15.205 -28.810 2.360 1.00 20.20 C ATOM 22 NZ LYS A 2 15.483 -28.496 0.945 1.00 73.22 N ATOM 0 H LYS A 2 17.882 -24.368 2.665 1.00 64.00 H new ATOM 0 HA LYS A 2 15.430 -24.884 4.044 1.00 64.25 H new ATOM 0 HB2 LYS A 2 18.272 -25.906 4.456 1.00 12.12 H new ATOM 0 HB3 LYS A 2 16.880 -26.472 5.357 1.00 12.12 H new ATOM 0 HG2 LYS A 2 17.195 -26.708 2.333 1.00 22.21 H new ATOM 0 HG3 LYS A 2 17.553 -27.989 3.474 1.00 22.21 H new ATOM 0 HD2 LYS A 2 15.110 -27.806 4.257 1.00 72.32 H new ATOM 0 HD3 LYS A 2 14.835 -26.758 2.879 1.00 72.32 H new ATOM 0 HE2 LYS A 2 15.842 -29.632 2.687 1.00 20.20 H new ATOM 0 HE3 LYS A 2 14.173 -29.144 2.468 1.00 20.20 H new ATOM 0 HZ1 LYS A 2 15.313 -29.340 0.362 1.00 73.22 H new ATOM 0 HZ2 LYS A 2 14.858 -27.726 0.631 1.00 73.22 H new ATOM 0 HZ3 LYS A 2 16.475 -28.200 0.844 1.00 73.22 H new ATOM 36 N GLU A 3 15.613 -23.429 6.019 1.00 14.21 N ATOM 37 CA GLU A 3 15.372 -22.437 7.045 1.00 11.44 C ATOM 38 C GLU A 3 15.957 -21.072 6.728 1.00 12.21 C ATOM 39 O GLU A 3 16.264 -20.280 7.615 1.00 10.22 O ATOM 40 CB GLU A 3 15.757 -22.937 8.470 1.00 3.14 C ATOM 41 CG GLU A 3 17.239 -23.326 8.649 1.00 62.54 C ATOM 42 CD GLU A 3 17.627 -23.579 10.101 1.00 21.42 C ATOM 43 OE1 GLU A 3 18.522 -22.855 10.608 1.00 35.00 O ATOM 44 OE2 GLU A 3 17.039 -24.511 10.710 1.00 0.32 O ATOM 0 H GLU A 3 14.733 -23.883 5.775 1.00 14.21 H new ATOM 0 HA GLU A 3 14.292 -22.292 7.049 1.00 11.44 H new ATOM 0 HB2 GLU A 3 15.513 -22.156 9.190 1.00 3.14 H new ATOM 0 HB3 GLU A 3 15.139 -23.801 8.714 1.00 3.14 H new ATOM 0 HG2 GLU A 3 17.445 -24.222 8.064 1.00 62.54 H new ATOM 0 HG3 GLU A 3 17.867 -22.531 8.246 1.00 62.54 H new ATOM 51 N VAL A 4 16.057 -20.750 5.416 1.00 71.42 N ATOM 52 CA VAL A 4 16.572 -19.472 4.950 1.00 71.43 C ATOM 53 C VAL A 4 15.417 -18.557 4.627 1.00 13.14 C ATOM 54 O VAL A 4 15.423 -17.368 4.938 1.00 21.33 O ATOM 55 CB VAL A 4 17.382 -19.604 3.669 1.00 1.10 C ATOM 56 CG1 VAL A 4 17.943 -18.246 3.186 1.00 30.13 C ATOM 57 CG2 VAL A 4 18.487 -20.646 3.854 1.00 43.03 C ATOM 0 H VAL A 4 15.779 -21.380 4.663 1.00 71.42 H new ATOM 0 HA VAL A 4 17.207 -19.084 5.746 1.00 71.43 H new ATOM 0 HB VAL A 4 16.712 -19.948 2.881 1.00 1.10 H new ATOM 0 HG11 VAL A 4 18.513 -18.393 2.269 1.00 30.13 H new ATOM 0 HG12 VAL A 4 17.119 -17.559 2.994 1.00 30.13 H new ATOM 0 HG13 VAL A 4 18.593 -17.827 3.954 1.00 30.13 H new ATOM 0 HG21 VAL A 4 19.062 -20.734 2.932 1.00 43.03 H new ATOM 0 HG22 VAL A 4 19.147 -20.337 4.665 1.00 43.03 H new ATOM 0 HG23 VAL A 4 18.041 -21.610 4.097 1.00 43.03 H new ATOM 67 N MET A 5 14.427 -19.110 3.888 1.00 54.14 N ATOM 68 CA MET A 5 13.627 -18.359 2.956 1.00 20.24 C ATOM 69 C MET A 5 12.667 -17.376 3.599 1.00 33.13 C ATOM 70 O MET A 5 12.352 -16.334 3.025 1.00 73.53 O ATOM 71 CB MET A 5 12.862 -19.314 1.995 1.00 5.32 C ATOM 72 CG MET A 5 11.800 -20.227 2.648 1.00 74.21 C ATOM 73 SD MET A 5 10.943 -21.333 1.482 1.00 1.20 S ATOM 74 CE MET A 5 12.319 -22.478 1.171 1.00 12.23 C ATOM 0 H MET A 5 14.178 -20.098 3.939 1.00 54.14 H new ATOM 0 HA MET A 5 14.335 -17.752 2.391 1.00 20.24 H new ATOM 0 HB2 MET A 5 12.373 -18.711 1.230 1.00 5.32 H new ATOM 0 HB3 MET A 5 13.591 -19.945 1.486 1.00 5.32 H new ATOM 0 HG2 MET A 5 12.281 -20.831 3.417 1.00 74.21 H new ATOM 0 HG3 MET A 5 11.060 -19.603 3.149 1.00 74.21 H new ATOM 0 HE1 MET A 5 11.942 -23.374 0.678 1.00 12.23 H new ATOM 0 HE2 MET A 5 13.057 -21.995 0.531 1.00 12.23 H new ATOM 0 HE3 MET A 5 12.784 -22.753 2.117 1.00 12.23 H new ATOM 84 N LYS A 6 12.177 -17.689 4.821 1.00 2.24 N ATOM 85 CA LYS A 6 11.211 -16.859 5.500 1.00 65.14 C ATOM 86 C LYS A 6 11.965 -15.861 6.356 1.00 72.13 C ATOM 87 O LYS A 6 12.671 -16.220 7.297 1.00 73.24 O ATOM 88 CB LYS A 6 10.249 -17.739 6.340 1.00 43.42 C ATOM 89 CG LYS A 6 9.064 -17.048 7.052 1.00 21.31 C ATOM 90 CD LYS A 6 9.406 -16.328 8.371 1.00 50.23 C ATOM 91 CE LYS A 6 8.189 -15.943 9.220 1.00 3.12 C ATOM 92 NZ LYS A 6 7.527 -17.148 9.760 1.00 42.43 N ATOM 0 H LYS A 6 12.451 -18.522 5.343 1.00 2.24 H new ATOM 0 HA LYS A 6 10.596 -16.314 4.784 1.00 65.14 H new ATOM 0 HB2 LYS A 6 9.841 -18.507 5.683 1.00 43.42 H new ATOM 0 HB3 LYS A 6 10.842 -18.250 7.099 1.00 43.42 H new ATOM 0 HG2 LYS A 6 8.625 -16.323 6.367 1.00 21.31 H new ATOM 0 HG3 LYS A 6 8.299 -17.797 7.256 1.00 21.31 H new ATOM 0 HD2 LYS A 6 10.057 -16.971 8.963 1.00 50.23 H new ATOM 0 HD3 LYS A 6 9.973 -15.426 8.141 1.00 50.23 H new ATOM 0 HE2 LYS A 6 8.501 -15.295 10.039 1.00 3.12 H new ATOM 0 HE3 LYS A 6 7.483 -15.374 8.615 1.00 3.12 H new ATOM 0 HZ1 LYS A 6 6.838 -16.869 10.488 1.00 42.43 H new ATOM 0 HZ2 LYS A 6 7.035 -17.648 8.992 1.00 42.43 H new ATOM 0 HZ3 LYS A 6 8.240 -17.777 10.181 1.00 42.43 H new ATOM 106 N GLN A 7 11.830 -14.566 6.009 1.00 74.12 N ATOM 107 CA GLN A 7 12.622 -13.499 6.592 1.00 24.23 C ATOM 108 C GLN A 7 11.805 -12.364 7.180 1.00 21.44 C ATOM 109 O GLN A 7 12.253 -11.704 8.114 1.00 12.12 O ATOM 110 CB GLN A 7 13.634 -12.962 5.541 1.00 73.35 C ATOM 111 CG GLN A 7 13.008 -12.351 4.265 1.00 1.20 C ATOM 112 CD GLN A 7 14.088 -11.936 3.260 1.00 24.14 C ATOM 113 OE1 GLN A 7 14.309 -10.749 3.018 1.00 14.00 O ATOM 114 NE2 GLN A 7 14.766 -12.944 2.651 1.00 33.45 N ATOM 0 H GLN A 7 11.160 -14.243 5.311 1.00 74.12 H new ATOM 0 HA GLN A 7 13.153 -13.938 7.437 1.00 24.23 H new ATOM 0 HB2 GLN A 7 14.258 -12.205 6.017 1.00 73.35 H new ATOM 0 HB3 GLN A 7 14.293 -13.779 5.246 1.00 73.35 H new ATOM 0 HG2 GLN A 7 12.337 -13.076 3.803 1.00 1.20 H new ATOM 0 HG3 GLN A 7 12.404 -11.484 4.533 1.00 1.20 H new ATOM 0 HE21 GLN A 7 14.552 -13.914 2.881 1.00 33.45 H new ATOM 0 HE22 GLN A 7 15.489 -12.730 1.964 1.00 33.45 H new ATOM 123 N MET A 8 10.581 -12.104 6.666 1.00 11.44 N ATOM 124 CA MET A 8 9.739 -11.018 7.125 1.00 62.53 C ATOM 125 C MET A 8 8.498 -11.610 7.756 1.00 23.04 C ATOM 126 O MET A 8 7.869 -12.505 7.193 1.00 72.52 O ATOM 127 CB MET A 8 9.348 -10.080 5.952 1.00 1.53 C ATOM 128 CG MET A 8 8.477 -8.865 6.339 1.00 43.42 C ATOM 129 SD MET A 8 9.272 -7.721 7.510 1.00 11.22 S ATOM 130 CE MET A 8 7.801 -6.676 7.716 1.00 73.33 C ATOM 0 H MET A 8 10.163 -12.656 5.917 1.00 11.44 H new ATOM 0 HA MET A 8 10.286 -10.421 7.855 1.00 62.53 H new ATOM 0 HB2 MET A 8 10.261 -9.716 5.480 1.00 1.53 H new ATOM 0 HB3 MET A 8 8.814 -10.665 5.203 1.00 1.53 H new ATOM 0 HG2 MET A 8 8.215 -8.317 5.434 1.00 43.42 H new ATOM 0 HG3 MET A 8 7.545 -9.224 6.775 1.00 43.42 H new ATOM 0 HE1 MET A 8 8.024 -5.867 8.411 1.00 73.33 H new ATOM 0 HE2 MET A 8 7.514 -6.257 6.751 1.00 73.33 H new ATOM 0 HE3 MET A 8 6.981 -7.276 8.109 1.00 73.33 H new ATOM 140 N THR A 9 8.123 -11.128 8.962 1.00 30.45 N ATOM 141 CA THR A 9 6.923 -11.557 9.661 1.00 72.42 C ATOM 142 C THR A 9 5.717 -10.733 9.246 1.00 63.52 C ATOM 143 O THR A 9 5.834 -9.637 8.700 1.00 61.22 O ATOM 144 CB THR A 9 7.070 -11.528 11.185 1.00 63.41 C ATOM 145 OG1 THR A 9 7.379 -10.228 11.679 1.00 54.21 O ATOM 146 CG2 THR A 9 8.191 -12.486 11.626 1.00 42.30 C ATOM 0 H THR A 9 8.660 -10.425 9.470 1.00 30.45 H new ATOM 0 HA THR A 9 6.769 -12.596 9.369 1.00 72.42 H new ATOM 0 HB THR A 9 6.108 -11.835 11.595 1.00 63.41 H new ATOM 0 HG1 THR A 9 7.461 -10.260 12.655 1.00 54.21 H new ATOM 0 HG21 THR A 9 8.288 -12.458 12.711 1.00 42.30 H new ATOM 0 HG22 THR A 9 7.948 -13.500 11.309 1.00 42.30 H new ATOM 0 HG23 THR A 9 9.132 -12.179 11.170 1.00 42.30 H new ATOM 154 N ILE A 10 4.502 -11.253 9.521 1.00 13.11 N ATOM 155 CA ILE A 10 3.254 -10.560 9.261 1.00 43.05 C ATOM 156 C ILE A 10 2.723 -10.147 10.620 1.00 12.23 C ATOM 157 O ILE A 10 2.725 -10.932 11.567 1.00 23.21 O ATOM 158 CB ILE A 10 2.247 -11.418 8.499 1.00 31.42 C ATOM 159 CG1 ILE A 10 2.804 -11.899 7.130 1.00 70.12 C ATOM 160 CG2 ILE A 10 0.912 -10.666 8.306 1.00 72.20 C ATOM 161 CD1 ILE A 10 3.185 -10.780 6.149 1.00 30.14 C ATOM 0 H ILE A 10 4.375 -12.177 9.934 1.00 13.11 H new ATOM 0 HA ILE A 10 3.422 -9.699 8.614 1.00 43.05 H new ATOM 0 HB ILE A 10 2.063 -12.304 9.106 1.00 31.42 H new ATOM 0 HG12 ILE A 10 3.684 -12.517 7.311 1.00 70.12 H new ATOM 0 HG13 ILE A 10 2.058 -12.537 6.656 1.00 70.12 H new ATOM 0 HG21 ILE A 10 0.213 -11.300 7.760 1.00 72.20 H new ATOM 0 HG22 ILE A 10 0.491 -10.416 9.280 1.00 72.20 H new ATOM 0 HG23 ILE A 10 1.088 -9.751 7.741 1.00 72.20 H new ATOM 0 HD11 ILE A 10 3.562 -11.219 5.225 1.00 30.14 H new ATOM 0 HD12 ILE A 10 2.306 -10.173 5.930 1.00 30.14 H new ATOM 0 HD13 ILE A 10 3.957 -10.153 6.595 1.00 30.14 H new ATOM 173 N ASN A 11 2.315 -8.870 10.774 1.00 43.30 N ATOM 174 CA ASN A 11 1.989 -8.312 12.067 1.00 72.35 C ATOM 175 C ASN A 11 0.832 -7.336 11.924 1.00 13.21 C ATOM 176 O ASN A 11 0.238 -7.198 10.855 1.00 52.11 O ATOM 177 CB ASN A 11 3.254 -7.663 12.722 1.00 11.02 C ATOM 178 CG ASN A 11 3.835 -6.503 11.904 1.00 41.43 C ATOM 179 OD1 ASN A 11 3.191 -5.460 11.765 1.00 25.44 O ATOM 180 ND2 ASN A 11 5.061 -6.683 11.348 1.00 1.51 N ATOM 0 H ASN A 11 2.209 -8.215 10.000 1.00 43.30 H new ATOM 0 HA ASN A 11 1.666 -9.105 12.741 1.00 72.35 H new ATOM 0 HB2 ASN A 11 2.994 -7.302 13.717 1.00 11.02 H new ATOM 0 HB3 ASN A 11 4.020 -8.427 12.850 1.00 11.02 H new ATOM 0 HD21 ASN A 11 5.482 -5.940 10.791 1.00 1.51 H new ATOM 0 HD22 ASN A 11 5.560 -7.561 11.488 1.00 1.51 H new ATOM 187 N PHE A 12 0.488 -6.638 13.028 1.00 30.43 N ATOM 188 CA PHE A 12 -0.647 -5.745 13.151 1.00 40.40 C ATOM 189 C PHE A 12 -0.615 -4.513 12.257 1.00 1.32 C ATOM 190 O PHE A 12 -1.661 -3.936 11.967 1.00 11.20 O ATOM 191 CB PHE A 12 -0.850 -5.348 14.648 1.00 32.02 C ATOM 192 CG PHE A 12 0.346 -4.647 15.257 1.00 50.51 C ATOM 193 CD1 PHE A 12 0.519 -3.260 15.119 1.00 41.22 C ATOM 194 CD2 PHE A 12 1.291 -5.374 16.004 1.00 11.32 C ATOM 195 CE1 PHE A 12 1.626 -2.614 15.684 1.00 21.52 C ATOM 196 CE2 PHE A 12 2.399 -4.733 16.575 1.00 13.33 C ATOM 197 CZ PHE A 12 2.568 -3.353 16.411 1.00 53.15 C ATOM 0 H PHE A 12 1.031 -6.696 13.890 1.00 30.43 H new ATOM 0 HA PHE A 12 -1.503 -6.313 12.787 1.00 40.40 H new ATOM 0 HB2 PHE A 12 -1.721 -4.698 14.728 1.00 32.02 H new ATOM 0 HB3 PHE A 12 -1.068 -6.245 15.227 1.00 32.02 H new ATOM 0 HD1 PHE A 12 -0.211 -2.684 14.570 1.00 41.22 H new ATOM 0 HD2 PHE A 12 1.161 -6.438 16.139 1.00 11.32 H new ATOM 0 HE1 PHE A 12 1.753 -1.549 15.559 1.00 21.52 H new ATOM 0 HE2 PHE A 12 3.121 -5.303 17.141 1.00 13.33 H new ATOM 0 HZ PHE A 12 3.424 -2.858 16.845 1.00 53.15 H new ATOM 207 N ALA A 13 0.569 -4.091 11.760 1.00 61.41 N ATOM 208 CA ALA A 13 0.685 -2.998 10.819 1.00 75.51 C ATOM 209 C ALA A 13 0.066 -3.251 9.463 1.00 34.40 C ATOM 210 O ALA A 13 -0.433 -2.319 8.835 1.00 53.15 O ATOM 211 CB ALA A 13 2.151 -2.596 10.629 1.00 60.14 C ATOM 0 H ALA A 13 1.463 -4.512 12.012 1.00 61.41 H new ATOM 0 HA ALA A 13 0.112 -2.189 11.273 1.00 75.51 H new ATOM 0 HB1 ALA A 13 2.213 -1.773 9.917 1.00 60.14 H new ATOM 0 HB2 ALA A 13 2.569 -2.281 11.585 1.00 60.14 H new ATOM 0 HB3 ALA A 13 2.715 -3.447 10.249 1.00 60.14 H new ATOM 217 N LYS A 14 0.090 -4.505 8.957 1.00 60.34 N ATOM 218 CA LYS A 14 -0.389 -4.812 7.627 1.00 14.22 C ATOM 219 C LYS A 14 -1.891 -4.585 7.464 1.00 24.02 C ATOM 220 O LYS A 14 -2.254 -3.898 6.506 1.00 71.52 O ATOM 221 CB LYS A 14 0.020 -6.258 7.228 1.00 30.11 C ATOM 222 CG LYS A 14 1.549 -6.480 7.201 1.00 70.31 C ATOM 223 CD LYS A 14 2.333 -5.541 6.263 1.00 4.12 C ATOM 224 CE LYS A 14 2.034 -5.755 4.779 1.00 4.34 C ATOM 225 NZ LYS A 14 2.758 -4.745 3.984 1.00 54.33 N ATOM 0 H LYS A 14 0.443 -5.314 9.469 1.00 60.34 H new ATOM 0 HA LYS A 14 0.090 -4.112 6.943 1.00 14.22 H new ATOM 0 HB2 LYS A 14 -0.429 -6.961 7.930 1.00 30.11 H new ATOM 0 HB3 LYS A 14 -0.390 -6.485 6.244 1.00 30.11 H new ATOM 0 HG2 LYS A 14 1.935 -6.361 8.213 1.00 70.31 H new ATOM 0 HG3 LYS A 14 1.745 -7.510 6.904 1.00 70.31 H new ATOM 0 HD2 LYS A 14 2.103 -4.508 6.524 1.00 4.12 H new ATOM 0 HD3 LYS A 14 3.400 -5.683 6.432 1.00 4.12 H new ATOM 0 HE2 LYS A 14 2.336 -6.758 4.476 1.00 4.34 H new ATOM 0 HE3 LYS A 14 0.962 -5.677 4.597 1.00 4.34 H new ATOM 0 HZ1 LYS A 14 2.639 -4.950 2.971 1.00 54.33 H new ATOM 0 HZ2 LYS A 14 2.377 -3.800 4.194 1.00 54.33 H new ATOM 0 HZ3 LYS A 14 3.769 -4.772 4.226 1.00 54.33 H new ATOM 239 N PRO A 15 -2.819 -5.025 8.328 1.00 33.12 N ATOM 240 CA PRO A 15 -4.177 -4.507 8.312 1.00 71.40 C ATOM 241 C PRO A 15 -4.309 -3.058 8.732 1.00 11.10 C ATOM 242 O PRO A 15 -5.244 -2.410 8.268 1.00 20.40 O ATOM 243 CB PRO A 15 -4.947 -5.446 9.249 1.00 62.44 C ATOM 244 CG PRO A 15 -3.909 -6.051 10.192 1.00 23.32 C ATOM 245 CD PRO A 15 -2.619 -6.035 9.373 1.00 43.43 C ATOM 0 HA PRO A 15 -4.568 -4.494 7.294 1.00 71.40 H new ATOM 0 HB2 PRO A 15 -5.709 -4.901 9.806 1.00 62.44 H new ATOM 0 HB3 PRO A 15 -5.461 -6.224 8.684 1.00 62.44 H new ATOM 0 HG2 PRO A 15 -3.810 -5.466 11.106 1.00 23.32 H new ATOM 0 HG3 PRO A 15 -4.181 -7.064 10.490 1.00 23.32 H new ATOM 0 HD2 PRO A 15 -1.762 -5.785 9.999 1.00 43.43 H new ATOM 0 HD3 PRO A 15 -2.421 -7.014 8.937 1.00 43.43 H new ATOM 253 N MET A 16 -3.426 -2.502 9.596 1.00 45.32 N ATOM 254 CA MET A 16 -3.579 -1.128 10.046 1.00 33.50 C ATOM 255 C MET A 16 -3.347 -0.115 8.918 1.00 51.11 C ATOM 256 O MET A 16 -4.096 0.851 8.764 1.00 12.11 O ATOM 257 CB MET A 16 -2.642 -0.845 11.245 1.00 53.05 C ATOM 258 CG MET A 16 -2.931 0.485 11.967 1.00 72.04 C ATOM 259 SD MET A 16 -1.677 0.974 13.197 1.00 71.41 S ATOM 260 CE MET A 16 -1.994 -0.335 14.411 1.00 24.11 C ATOM 0 H MET A 16 -2.617 -2.989 9.982 1.00 45.32 H new ATOM 0 HA MET A 16 -4.613 -1.006 10.370 1.00 33.50 H new ATOM 0 HB2 MET A 16 -2.729 -1.662 11.962 1.00 53.05 H new ATOM 0 HB3 MET A 16 -1.610 -0.839 10.893 1.00 53.05 H new ATOM 0 HG2 MET A 16 -3.017 1.276 11.222 1.00 72.04 H new ATOM 0 HG3 MET A 16 -3.898 0.410 12.465 1.00 72.04 H new ATOM 0 HE1 MET A 16 -1.409 -0.146 15.311 1.00 24.11 H new ATOM 0 HE2 MET A 16 -3.054 -0.348 14.663 1.00 24.11 H new ATOM 0 HE3 MET A 16 -1.710 -1.299 13.989 1.00 24.11 H new ATOM 270 N GLU A 17 -2.305 -0.327 8.070 1.00 72.54 N ATOM 271 CA GLU A 17 -2.007 0.533 6.936 1.00 44.50 C ATOM 272 C GLU A 17 -3.018 0.371 5.821 1.00 65.10 C ATOM 273 O GLU A 17 -3.327 1.313 5.092 1.00 32.20 O ATOM 274 CB GLU A 17 -0.569 0.317 6.382 1.00 13.54 C ATOM 275 CG GLU A 17 -0.252 -1.052 5.725 1.00 74.43 C ATOM 276 CD GLU A 17 1.206 -1.168 5.265 1.00 40.12 C ATOM 277 OE1 GLU A 17 1.548 -2.246 4.711 1.00 52.12 O ATOM 278 OE2 GLU A 17 1.985 -0.199 5.457 1.00 20.21 O ATOM 0 H GLU A 17 -1.657 -1.108 8.171 1.00 72.54 H new ATOM 0 HA GLU A 17 -2.069 1.552 7.317 1.00 44.50 H new ATOM 0 HB2 GLU A 17 -0.371 1.097 5.646 1.00 13.54 H new ATOM 0 HB3 GLU A 17 0.133 0.467 7.202 1.00 13.54 H new ATOM 0 HG2 GLU A 17 -0.468 -1.850 6.436 1.00 74.43 H new ATOM 0 HG3 GLU A 17 -0.911 -1.200 4.869 1.00 74.43 H new ATOM 285 N ALA A 18 -3.596 -0.843 5.687 1.00 12.14 N ATOM 286 CA ALA A 18 -4.740 -1.091 4.841 1.00 1.11 C ATOM 287 C ALA A 18 -5.971 -0.316 5.256 1.00 12.52 C ATOM 288 O ALA A 18 -6.637 0.261 4.405 1.00 25.22 O ATOM 289 CB ALA A 18 -5.119 -2.571 4.799 1.00 73.02 C ATOM 0 H ALA A 18 -3.263 -1.674 6.176 1.00 12.14 H new ATOM 0 HA ALA A 18 -4.421 -0.754 3.855 1.00 1.11 H new ATOM 0 HB1 ALA A 18 -5.984 -2.707 4.150 1.00 73.02 H new ATOM 0 HB2 ALA A 18 -4.281 -3.150 4.412 1.00 73.02 H new ATOM 0 HB3 ALA A 18 -5.363 -2.913 5.805 1.00 73.02 H new ATOM 295 N CYS A 19 -6.290 -0.227 6.568 1.00 35.23 N ATOM 296 CA CYS A 19 -7.395 0.587 7.059 1.00 11.34 C ATOM 297 C CYS A 19 -7.179 2.041 6.695 1.00 33.21 C ATOM 298 O CYS A 19 -8.078 2.664 6.152 1.00 34.44 O ATOM 299 CB CYS A 19 -7.552 0.444 8.588 1.00 21.11 C ATOM 300 SG CYS A 19 -8.148 -1.221 8.996 1.00 1.01 S ATOM 0 H CYS A 19 -5.783 -0.720 7.303 1.00 35.23 H new ATOM 0 HA CYS A 19 -8.311 0.233 6.585 1.00 11.34 H new ATOM 0 HB2 CYS A 19 -6.596 0.628 9.079 1.00 21.11 H new ATOM 0 HB3 CYS A 19 -8.252 1.192 8.962 1.00 21.11 H new ATOM 305 N LYS A 20 -5.964 2.611 6.843 1.00 61.53 N ATOM 306 CA LYS A 20 -5.757 4.036 6.618 1.00 3.23 C ATOM 307 C LYS A 20 -6.143 4.460 5.202 1.00 4.21 C ATOM 308 O LYS A 20 -6.843 5.452 4.995 1.00 51.13 O ATOM 309 CB LYS A 20 -4.276 4.389 6.929 1.00 23.15 C ATOM 310 CG LYS A 20 -3.904 5.886 6.877 1.00 42.11 C ATOM 311 CD LYS A 20 -3.519 6.479 5.509 1.00 74.41 C ATOM 312 CE LYS A 20 -2.078 6.186 5.094 1.00 71.33 C ATOM 313 NZ LYS A 20 -1.809 6.783 3.771 1.00 1.44 N ATOM 0 H LYS A 20 -5.124 2.100 7.116 1.00 61.53 H new ATOM 0 HA LYS A 20 -6.412 4.591 7.290 1.00 3.23 H new ATOM 0 HB2 LYS A 20 -4.036 4.011 7.923 1.00 23.15 H new ATOM 0 HB3 LYS A 20 -3.641 3.854 6.223 1.00 23.15 H new ATOM 0 HG2 LYS A 20 -4.749 6.456 7.264 1.00 42.11 H new ATOM 0 HG3 LYS A 20 -3.070 6.049 7.560 1.00 42.11 H new ATOM 0 HD2 LYS A 20 -4.194 6.084 4.749 1.00 74.41 H new ATOM 0 HD3 LYS A 20 -3.667 7.559 5.537 1.00 74.41 H new ATOM 0 HE2 LYS A 20 -1.387 6.591 5.833 1.00 71.33 H new ATOM 0 HE3 LYS A 20 -1.912 5.109 5.058 1.00 71.33 H new ATOM 0 HZ1 LYS A 20 -0.828 6.581 3.492 1.00 1.44 H new ATOM 0 HZ2 LYS A 20 -2.459 6.377 3.068 1.00 1.44 H new ATOM 0 HZ3 LYS A 20 -1.951 7.812 3.819 1.00 1.44 H new ATOM 327 N GLN A 21 -5.752 3.661 4.187 1.00 64.22 N ATOM 328 CA GLN A 21 -6.152 3.912 2.817 1.00 62.02 C ATOM 329 C GLN A 21 -7.572 3.500 2.478 1.00 11.42 C ATOM 330 O GLN A 21 -8.284 4.234 1.799 1.00 44.23 O ATOM 331 CB GLN A 21 -5.182 3.227 1.849 1.00 2.12 C ATOM 332 CG GLN A 21 -5.159 1.695 1.967 1.00 61.53 C ATOM 333 CD GLN A 21 -3.920 1.062 1.361 1.00 22.25 C ATOM 334 OE1 GLN A 21 -3.785 0.859 0.154 1.00 64.55 O ATOM 335 NE2 GLN A 21 -3.005 0.658 2.281 1.00 62.50 N ATOM 0 H GLN A 21 -5.159 2.840 4.307 1.00 64.22 H new ATOM 0 HA GLN A 21 -6.119 4.996 2.708 1.00 62.02 H new ATOM 0 HB2 GLN A 21 -5.451 3.499 0.828 1.00 2.12 H new ATOM 0 HB3 GLN A 21 -4.177 3.610 2.026 1.00 2.12 H new ATOM 0 HG2 GLN A 21 -5.222 1.418 3.019 1.00 61.53 H new ATOM 0 HG3 GLN A 21 -6.043 1.287 1.477 1.00 61.53 H new ATOM 0 HE21 GLN A 21 -3.159 0.848 3.271 1.00 62.50 H new ATOM 0 HE22 GLN A 21 -2.164 0.164 1.981 1.00 62.50 H new ATOM 344 N GLU A 22 -8.025 2.330 2.987 1.00 55.11 N ATOM 345 CA GLU A 22 -9.339 1.722 2.767 1.00 34.01 C ATOM 346 C GLU A 22 -10.419 2.627 3.251 1.00 14.15 C ATOM 347 O GLU A 22 -11.471 2.778 2.635 1.00 73.41 O ATOM 348 CB GLU A 22 -9.487 0.351 3.452 1.00 60.24 C ATOM 349 CG GLU A 22 -10.806 -0.383 3.105 1.00 21.14 C ATOM 350 CD GLU A 22 -10.953 -0.747 1.624 1.00 3.45 C ATOM 351 OE1 GLU A 22 -11.995 -0.382 1.024 1.00 30.14 O ATOM 352 OE2 GLU A 22 -10.028 -1.418 1.095 1.00 61.21 O ATOM 0 H GLU A 22 -7.440 1.759 3.597 1.00 55.11 H new ATOM 0 HA GLU A 22 -9.428 1.567 1.692 1.00 34.01 H new ATOM 0 HB2 GLU A 22 -8.645 -0.280 3.166 1.00 60.24 H new ATOM 0 HB3 GLU A 22 -9.431 0.487 4.532 1.00 60.24 H new ATOM 0 HG2 GLU A 22 -10.868 -1.295 3.699 1.00 21.14 H new ATOM 0 HG3 GLU A 22 -11.646 0.246 3.398 1.00 21.14 H new ATOM 359 N LEU A 23 -10.148 3.270 4.392 1.00 24.10 N ATOM 360 CA LEU A 23 -11.120 4.130 5.014 1.00 54.14 C ATOM 361 C LEU A 23 -11.042 5.531 4.431 1.00 51.11 C ATOM 362 O LEU A 23 -11.876 6.375 4.753 1.00 34.34 O ATOM 363 CB LEU A 23 -10.885 4.253 6.523 1.00 71.42 C ATOM 364 CG LEU A 23 -10.878 2.939 7.329 1.00 63.21 C ATOM 365 CD1 LEU A 23 -11.170 3.246 8.785 1.00 22.20 C ATOM 366 CD2 LEU A 23 -11.527 1.681 6.751 1.00 60.41 C ATOM 0 H LEU A 23 -9.261 3.201 4.891 1.00 24.10 H new ATOM 0 HA LEU A 23 -12.096 3.681 4.827 1.00 54.14 H new ATOM 0 HB2 LEU A 23 -9.930 4.754 6.679 1.00 71.42 H new ATOM 0 HB3 LEU A 23 -11.657 4.902 6.936 1.00 71.42 H new ATOM 0 HG LEU A 23 -9.861 2.559 7.232 1.00 63.21 H new ATOM 0 HD11 LEU A 23 -11.166 2.320 9.360 1.00 22.20 H new ATOM 0 HD12 LEU A 23 -10.406 3.919 9.175 1.00 22.20 H new ATOM 0 HD13 LEU A 23 -12.148 3.721 8.868 1.00 22.20 H new ATOM 0 HD21 LEU A 23 -11.423 0.859 7.460 1.00 60.41 H new ATOM 0 HD22 LEU A 23 -12.585 1.869 6.566 1.00 60.41 H new ATOM 0 HD23 LEU A 23 -11.037 1.416 5.814 1.00 60.41 H new ATOM 378 N ASN A 24 -10.024 5.797 3.569 1.00 42.23 N ATOM 379 CA ASN A 24 -9.692 7.076 2.983 1.00 12.42 C ATOM 380 C ASN A 24 -9.436 8.180 4.016 1.00 61.04 C ATOM 381 O ASN A 24 -9.925 9.302 3.895 1.00 21.35 O ATOM 382 CB ASN A 24 -10.799 7.511 1.991 1.00 25.14 C ATOM 383 CG ASN A 24 -11.029 6.674 0.723 1.00 30.11 C ATOM 384 OD1 ASN A 24 -12.060 6.866 0.070 1.00 71.54 O ATOM 385 ND2 ASN A 24 -10.107 5.764 0.333 1.00 73.35 N ATOM 0 H ASN A 24 -9.388 5.062 3.261 1.00 42.23 H new ATOM 0 HA ASN A 24 -8.751 6.936 2.452 1.00 12.42 H new ATOM 0 HB2 ASN A 24 -11.740 7.543 2.540 1.00 25.14 H new ATOM 0 HB3 ASN A 24 -10.578 8.531 1.677 1.00 25.14 H new ATOM 0 HD21 ASN A 24 -10.256 5.219 -0.516 1.00 73.35 H new ATOM 0 HD22 ASN A 24 -9.263 5.623 0.888 1.00 73.35 H new ATOM 392 N VAL A 25 -8.640 7.875 5.063 1.00 54.40 N ATOM 393 CA VAL A 25 -8.377 8.761 6.190 1.00 41.23 C ATOM 394 C VAL A 25 -6.899 9.108 6.209 1.00 53.45 C ATOM 395 O VAL A 25 -6.099 8.399 5.601 1.00 72.03 O ATOM 396 CB VAL A 25 -8.821 8.163 7.530 1.00 31.25 C ATOM 397 CG1 VAL A 25 -10.351 7.986 7.531 1.00 52.04 C ATOM 398 CG2 VAL A 25 -8.109 6.824 7.809 1.00 71.02 C ATOM 0 H VAL A 25 -8.156 6.980 5.139 1.00 54.40 H new ATOM 0 HA VAL A 25 -8.969 9.666 6.057 1.00 41.23 H new ATOM 0 HB VAL A 25 -8.541 8.848 8.330 1.00 31.25 H new ATOM 0 HG11 VAL A 25 -10.667 7.561 8.483 1.00 52.04 H new ATOM 0 HG12 VAL A 25 -10.829 8.955 7.389 1.00 52.04 H new ATOM 0 HG13 VAL A 25 -10.640 7.317 6.721 1.00 52.04 H new ATOM 0 HG21 VAL A 25 -8.445 6.426 8.766 1.00 71.02 H new ATOM 0 HG22 VAL A 25 -8.346 6.114 7.017 1.00 71.02 H new ATOM 0 HG23 VAL A 25 -7.031 6.985 7.841 1.00 71.02 H new ATOM 408 N PRO A 26 -6.455 10.194 6.836 1.00 74.43 N ATOM 409 CA PRO A 26 -5.040 10.516 6.930 1.00 14.54 C ATOM 410 C PRO A 26 -4.276 9.615 7.881 1.00 15.11 C ATOM 411 O PRO A 26 -4.842 8.926 8.730 1.00 44.41 O ATOM 412 CB PRO A 26 -5.029 11.981 7.411 1.00 4.12 C ATOM 413 CG PRO A 26 -6.325 12.115 8.205 1.00 41.20 C ATOM 414 CD PRO A 26 -7.294 11.250 7.405 1.00 42.41 C ATOM 0 HA PRO A 26 -4.535 10.369 5.975 1.00 14.54 H new ATOM 0 HB2 PRO A 26 -4.157 12.192 8.030 1.00 4.12 H new ATOM 0 HB3 PRO A 26 -5.000 12.677 6.573 1.00 4.12 H new ATOM 0 HG2 PRO A 26 -6.212 11.758 9.229 1.00 41.20 H new ATOM 0 HG3 PRO A 26 -6.659 13.151 8.264 1.00 41.20 H new ATOM 0 HD2 PRO A 26 -8.076 10.836 8.042 1.00 42.41 H new ATOM 0 HD3 PRO A 26 -7.790 11.827 6.625 1.00 42.41 H new ATOM 422 N ASP A 27 -2.934 9.671 7.746 1.00 33.42 N ATOM 423 CA ASP A 27 -1.912 8.936 8.468 1.00 11.42 C ATOM 424 C ASP A 27 -1.986 9.293 9.943 1.00 13.02 C ATOM 425 O ASP A 27 -1.715 8.483 10.823 1.00 34.24 O ATOM 426 CB ASP A 27 -0.529 9.277 7.838 1.00 10.41 C ATOM 427 CG ASP A 27 0.619 8.436 8.392 1.00 73.32 C ATOM 428 OD1 ASP A 27 1.497 9.022 9.075 1.00 21.53 O ATOM 429 OD2 ASP A 27 0.633 7.212 8.107 1.00 22.15 O ATOM 0 H ASP A 27 -2.514 10.297 7.059 1.00 33.42 H new ATOM 0 HA ASP A 27 -2.063 7.859 8.391 1.00 11.42 H new ATOM 0 HB2 ASP A 27 -0.585 9.134 6.759 1.00 10.41 H new ATOM 0 HB3 ASP A 27 -0.311 10.331 8.009 1.00 10.41 H new ATOM 434 N ALA A 28 -2.407 10.543 10.207 1.00 23.41 N ATOM 435 CA ALA A 28 -2.648 11.130 11.494 1.00 3.25 C ATOM 436 C ALA A 28 -3.688 10.402 12.327 1.00 55.33 C ATOM 437 O ALA A 28 -3.589 10.364 13.552 1.00 64.12 O ATOM 438 CB ALA A 28 -3.099 12.586 11.300 1.00 51.41 C ATOM 0 H ALA A 28 -2.596 11.203 9.452 1.00 23.41 H new ATOM 0 HA ALA A 28 -1.709 11.062 12.044 1.00 3.25 H new ATOM 0 HB1 ALA A 28 -3.285 13.042 12.272 1.00 51.41 H new ATOM 0 HB2 ALA A 28 -2.318 13.143 10.782 1.00 51.41 H new ATOM 0 HB3 ALA A 28 -4.014 12.608 10.708 1.00 51.41 H new ATOM 444 N VAL A 29 -4.738 9.817 11.713 1.00 55.10 N ATOM 445 CA VAL A 29 -5.807 9.297 12.543 1.00 1.04 C ATOM 446 C VAL A 29 -5.681 7.805 12.773 1.00 32.14 C ATOM 447 O VAL A 29 -6.145 7.300 13.791 1.00 41.21 O ATOM 448 CB VAL A 29 -7.177 9.618 12.010 1.00 65.21 C ATOM 449 CG1 VAL A 29 -7.318 11.120 11.685 1.00 45.14 C ATOM 450 CG2 VAL A 29 -7.665 8.676 10.910 1.00 10.21 C ATOM 0 H VAL A 29 -4.854 9.703 10.706 1.00 55.10 H new ATOM 0 HA VAL A 29 -5.696 9.807 13.500 1.00 1.04 H new ATOM 0 HB VAL A 29 -7.879 9.416 12.819 1.00 65.21 H new ATOM 0 HG11 VAL A 29 -8.319 11.317 11.302 1.00 45.14 H new ATOM 0 HG12 VAL A 29 -7.154 11.705 12.590 1.00 45.14 H new ATOM 0 HG13 VAL A 29 -6.581 11.400 10.933 1.00 45.14 H new ATOM 0 HG21 VAL A 29 -8.660 8.981 10.585 1.00 10.21 H new ATOM 0 HG22 VAL A 29 -6.978 8.717 10.065 1.00 10.21 H new ATOM 0 HG23 VAL A 29 -7.706 7.657 11.295 1.00 10.21 H new ATOM 460 N MET A 30 -5.007 7.040 11.879 1.00 25.15 N ATOM 461 CA MET A 30 -4.691 5.648 12.181 1.00 2.21 C ATOM 462 C MET A 30 -3.678 5.569 13.306 1.00 51.10 C ATOM 463 O MET A 30 -3.730 4.675 14.149 1.00 54.33 O ATOM 464 CB MET A 30 -4.178 4.860 10.943 1.00 32.33 C ATOM 465 CG MET A 30 -2.753 5.199 10.460 1.00 14.14 C ATOM 466 SD MET A 30 -1.435 4.179 11.199 1.00 41.42 S ATOM 467 CE MET A 30 -0.079 4.962 10.289 1.00 75.12 C ATOM 0 H MET A 30 -4.684 7.366 10.968 1.00 25.15 H new ATOM 0 HA MET A 30 -5.623 5.177 12.493 1.00 2.21 H new ATOM 0 HB2 MET A 30 -4.217 3.796 11.175 1.00 32.33 H new ATOM 0 HB3 MET A 30 -4.869 5.032 10.118 1.00 32.33 H new ATOM 0 HG2 MET A 30 -2.715 5.088 9.376 1.00 14.14 H new ATOM 0 HG3 MET A 30 -2.549 6.247 10.680 1.00 14.14 H new ATOM 0 HE1 MET A 30 0.866 4.499 10.574 1.00 75.12 H new ATOM 0 HE2 MET A 30 -0.237 4.833 9.218 1.00 75.12 H new ATOM 0 HE3 MET A 30 -0.048 6.025 10.526 1.00 75.12 H new ATOM 477 N GLN A 31 -2.755 6.569 13.380 1.00 33.25 N ATOM 478 CA GLN A 31 -1.731 6.611 14.395 1.00 40.13 C ATOM 479 C GLN A 31 -2.279 6.972 15.750 1.00 33.23 C ATOM 480 O GLN A 31 -1.714 6.641 16.789 1.00 40.14 O ATOM 481 CB GLN A 31 -0.500 7.471 13.967 1.00 55.31 C ATOM 482 CG GLN A 31 -0.615 8.992 13.771 1.00 15.23 C ATOM 483 CD GLN A 31 -0.473 9.779 15.064 1.00 35.32 C ATOM 484 OE1 GLN A 31 0.613 9.918 15.630 1.00 21.20 O ATOM 485 NE2 GLN A 31 -1.630 10.303 15.533 1.00 71.20 N ATOM 0 H GLN A 31 -2.723 7.353 12.728 1.00 33.25 H new ATOM 0 HA GLN A 31 -1.350 5.595 14.499 1.00 40.13 H new ATOM 0 HB2 GLN A 31 0.278 7.305 14.712 1.00 55.31 H new ATOM 0 HB3 GLN A 31 -0.135 7.057 13.027 1.00 55.31 H new ATOM 0 HG2 GLN A 31 0.152 9.320 13.069 1.00 15.23 H new ATOM 0 HG3 GLN A 31 -1.580 9.221 13.319 1.00 15.23 H new ATOM 0 HE21 GLN A 31 -2.501 10.156 15.022 1.00 71.20 H new ATOM 0 HE22 GLN A 31 -1.631 10.845 16.397 1.00 71.20 H new ATOM 494 N ASP A 32 -3.480 7.585 15.761 1.00 20.40 N ATOM 495 CA ASP A 32 -4.227 7.826 16.980 1.00 71.11 C ATOM 496 C ASP A 32 -4.633 6.560 17.715 1.00 21.41 C ATOM 497 O ASP A 32 -4.602 6.523 18.942 1.00 43.31 O ATOM 498 CB ASP A 32 -5.503 8.661 16.711 1.00 43.14 C ATOM 499 CG ASP A 32 -5.279 10.143 16.439 1.00 44.01 C ATOM 500 OD1 ASP A 32 -4.210 10.678 16.823 1.00 53.44 O ATOM 501 OD2 ASP A 32 -6.231 10.762 15.888 1.00 30.35 O ATOM 0 H ASP A 32 -3.946 7.921 14.918 1.00 20.40 H new ATOM 0 HA ASP A 32 -3.536 8.378 17.617 1.00 71.11 H new ATOM 0 HB2 ASP A 32 -6.024 8.229 15.857 1.00 43.14 H new ATOM 0 HB3 ASP A 32 -6.166 8.565 17.571 1.00 43.14 H new ATOM 506 N PHE A 33 -5.018 5.492 16.992 1.00 61.31 N ATOM 507 CA PHE A 33 -5.329 4.213 17.609 1.00 42.24 C ATOM 508 C PHE A 33 -4.170 3.593 18.367 1.00 51.11 C ATOM 509 O PHE A 33 -4.346 3.166 19.504 1.00 72.22 O ATOM 510 CB PHE A 33 -5.937 3.276 16.524 1.00 33.11 C ATOM 511 CG PHE A 33 -6.035 1.806 16.856 1.00 70.51 C ATOM 512 CD1 PHE A 33 -5.408 0.878 16.005 1.00 1.31 C ATOM 513 CD2 PHE A 33 -6.670 1.336 18.012 1.00 4.01 C ATOM 514 CE1 PHE A 33 -5.467 -0.494 16.274 1.00 51.54 C ATOM 515 CE2 PHE A 33 -6.789 -0.041 18.248 1.00 20.12 C ATOM 516 CZ PHE A 33 -6.179 -0.958 17.385 1.00 65.12 C ATOM 0 H PHE A 33 -5.118 5.502 15.977 1.00 61.31 H new ATOM 0 HA PHE A 33 -6.069 4.377 18.392 1.00 42.24 H new ATOM 0 HB2 PHE A 33 -6.939 3.637 16.289 1.00 33.11 H new ATOM 0 HB3 PHE A 33 -5.341 3.378 15.617 1.00 33.11 H new ATOM 0 HD1 PHE A 33 -4.875 1.228 15.134 1.00 1.31 H new ATOM 0 HD2 PHE A 33 -7.071 2.039 18.727 1.00 4.01 H new ATOM 0 HE1 PHE A 33 -4.963 -1.194 15.624 1.00 51.54 H new ATOM 0 HE2 PHE A 33 -7.353 -0.395 19.098 1.00 20.12 H new ATOM 0 HZ PHE A 33 -6.257 -2.018 17.576 1.00 65.12 H new ATOM 526 N PHE A 34 -2.948 3.557 17.804 1.00 1.13 N ATOM 527 CA PHE A 34 -1.836 2.993 18.544 1.00 43.52 C ATOM 528 C PHE A 34 -1.329 3.838 19.691 1.00 44.30 C ATOM 529 O PHE A 34 -0.917 3.340 20.738 1.00 73.34 O ATOM 530 CB PHE A 34 -0.674 2.603 17.620 1.00 41.23 C ATOM 531 CG PHE A 34 0.166 3.632 16.928 1.00 3.25 C ATOM 532 CD1 PHE A 34 1.316 4.102 17.580 1.00 74.34 C ATOM 533 CD2 PHE A 34 -0.022 3.925 15.570 1.00 14.13 C ATOM 534 CE1 PHE A 34 2.287 4.828 16.881 1.00 33.41 C ATOM 535 CE2 PHE A 34 0.982 4.594 14.852 1.00 0.13 C ATOM 536 CZ PHE A 34 2.130 5.055 15.508 1.00 10.21 C ATOM 0 H PHE A 34 -2.723 3.902 16.871 1.00 1.13 H new ATOM 0 HA PHE A 34 -2.256 2.097 19.001 1.00 43.52 H new ATOM 0 HB2 PHE A 34 0.005 1.988 18.210 1.00 41.23 H new ATOM 0 HB3 PHE A 34 -1.091 1.962 16.843 1.00 41.23 H new ATOM 0 HD1 PHE A 34 1.453 3.901 18.632 1.00 74.34 H new ATOM 0 HD2 PHE A 34 -0.938 3.636 15.077 1.00 14.13 H new ATOM 0 HE1 PHE A 34 3.154 5.212 17.398 1.00 33.41 H new ATOM 0 HE2 PHE A 34 0.868 4.754 13.790 1.00 0.13 H new ATOM 0 HZ PHE A 34 2.893 5.584 14.956 1.00 10.21 H new ATOM 546 N ASN A 35 -1.417 5.162 19.520 1.00 71.34 N ATOM 547 CA ASN A 35 -1.133 6.154 20.529 1.00 13.52 C ATOM 548 C ASN A 35 -2.072 6.139 21.725 1.00 63.04 C ATOM 549 O ASN A 35 -1.742 6.709 22.760 1.00 60.35 O ATOM 550 CB ASN A 35 -1.128 7.556 19.903 1.00 34.42 C ATOM 551 CG ASN A 35 0.136 7.789 19.076 1.00 42.12 C ATOM 552 OD1 ASN A 35 1.175 7.148 19.250 1.00 2.55 O ATOM 553 ND2 ASN A 35 0.041 8.792 18.169 1.00 62.15 N ATOM 0 H ASN A 35 -1.701 5.575 18.632 1.00 71.34 H new ATOM 0 HA ASN A 35 -0.149 5.892 20.918 1.00 13.52 H new ATOM 0 HB2 ASN A 35 -2.007 7.677 19.270 1.00 34.42 H new ATOM 0 HB3 ASN A 35 -1.195 8.308 20.689 1.00 34.42 H new ATOM 0 HD21 ASN A 35 0.849 9.042 17.598 1.00 62.15 H new ATOM 0 HD22 ASN A 35 -0.838 9.297 18.057 1.00 62.15 H new ATOM 560 N PHE A 36 -3.237 5.453 21.642 1.00 25.21 N ATOM 561 CA PHE A 36 -4.185 5.261 22.734 1.00 53.00 C ATOM 562 C PHE A 36 -3.489 4.564 23.904 1.00 14.50 C ATOM 563 O PHE A 36 -3.704 4.888 25.068 1.00 34.23 O ATOM 564 CB PHE A 36 -5.399 4.402 22.253 1.00 73.12 C ATOM 565 CG PHE A 36 -6.554 4.397 23.232 1.00 12.51 C ATOM 566 CD1 PHE A 36 -6.517 3.681 24.442 1.00 43.21 C ATOM 567 CD2 PHE A 36 -7.725 5.107 22.912 1.00 4.12 C ATOM 568 CE1 PHE A 36 -7.568 3.767 25.359 1.00 52.42 C ATOM 569 CE2 PHE A 36 -8.795 5.174 23.813 1.00 62.03 C ATOM 570 CZ PHE A 36 -8.701 4.524 25.048 1.00 43.04 C ATOM 0 H PHE A 36 -3.541 5.007 20.776 1.00 25.21 H new ATOM 0 HA PHE A 36 -4.551 6.235 23.059 1.00 53.00 H new ATOM 0 HB2 PHE A 36 -5.747 4.783 21.293 1.00 73.12 H new ATOM 0 HB3 PHE A 36 -5.067 3.377 22.088 1.00 73.12 H new ATOM 0 HD1 PHE A 36 -5.665 3.056 24.665 1.00 43.21 H new ATOM 0 HD2 PHE A 36 -7.800 5.608 21.958 1.00 4.12 H new ATOM 0 HE1 PHE A 36 -7.505 3.250 26.305 1.00 52.42 H new ATOM 0 HE2 PHE A 36 -9.688 5.725 23.556 1.00 62.03 H new ATOM 0 HZ PHE A 36 -9.506 4.607 25.763 1.00 43.04 H new ATOM 580 N TRP A 37 -2.637 3.560 23.592 1.00 55.42 N ATOM 581 CA TRP A 37 -1.957 2.700 24.543 1.00 31.33 C ATOM 582 C TRP A 37 -0.915 3.441 25.365 1.00 2.13 C ATOM 583 O TRP A 37 -0.526 2.987 26.440 1.00 2.34 O ATOM 584 CB TRP A 37 -1.281 1.508 23.822 1.00 43.21 C ATOM 585 CG TRP A 37 -2.169 0.756 22.837 1.00 41.43 C ATOM 586 CD1 TRP A 37 -1.801 0.443 21.559 1.00 72.23 C ATOM 587 CD2 TRP A 37 -3.588 0.493 22.922 1.00 31.42 C ATOM 588 NE1 TRP A 37 -2.870 -0.062 20.856 1.00 62.25 N ATOM 589 CE2 TRP A 37 -3.983 -0.007 21.662 1.00 32.34 C ATOM 590 CE3 TRP A 37 -4.528 0.681 23.938 1.00 51.31 C ATOM 591 CZ2 TRP A 37 -5.310 -0.313 21.402 1.00 52.22 C ATOM 592 CZ3 TRP A 37 -5.872 0.403 23.654 1.00 64.15 C ATOM 593 CH2 TRP A 37 -6.262 -0.085 22.403 1.00 25.32 C ATOM 0 H TRP A 37 -2.406 3.331 22.625 1.00 55.42 H new ATOM 0 HA TRP A 37 -2.725 2.335 25.225 1.00 31.33 H new ATOM 0 HB2 TRP A 37 -0.405 1.877 23.288 1.00 43.21 H new ATOM 0 HB3 TRP A 37 -0.924 0.805 24.574 1.00 43.21 H new ATOM 0 HD1 TRP A 37 -0.808 0.574 21.156 1.00 72.23 H new ATOM 0 HE1 TRP A 37 -2.842 -0.417 19.900 1.00 62.25 H new ATOM 0 HE3 TRP A 37 -4.228 1.031 24.915 1.00 51.31 H new ATOM 0 HZ2 TRP A 37 -5.604 -0.720 20.446 1.00 52.22 H new ATOM 0 HZ3 TRP A 37 -6.620 0.569 24.415 1.00 64.15 H new ATOM 0 HH2 TRP A 37 -7.305 -0.287 22.208 1.00 25.32 H new ATOM 604 N LYS A 38 -0.431 4.604 24.861 1.00 42.14 N ATOM 605 CA LYS A 38 0.503 5.469 25.571 1.00 44.32 C ATOM 606 C LYS A 38 -0.107 5.980 26.874 1.00 0.30 C ATOM 607 O LYS A 38 -1.205 6.536 26.903 1.00 10.12 O ATOM 608 CB LYS A 38 0.904 6.692 24.701 1.00 53.12 C ATOM 609 CG LYS A 38 1.945 7.655 25.314 1.00 71.12 C ATOM 610 CD LYS A 38 3.330 7.036 25.601 1.00 42.51 C ATOM 611 CE LYS A 38 4.088 6.488 24.385 1.00 51.12 C ATOM 612 NZ LYS A 38 4.429 7.579 23.451 1.00 42.23 N ATOM 0 H LYS A 38 -0.690 4.958 23.940 1.00 42.14 H new ATOM 0 HA LYS A 38 1.388 4.871 25.790 1.00 44.32 H new ATOM 0 HB2 LYS A 38 1.295 6.324 23.753 1.00 53.12 H new ATOM 0 HB3 LYS A 38 0.003 7.261 24.475 1.00 53.12 H new ATOM 0 HG2 LYS A 38 2.076 8.500 24.638 1.00 71.12 H new ATOM 0 HG3 LYS A 38 1.543 8.052 26.246 1.00 71.12 H new ATOM 0 HD2 LYS A 38 3.951 7.792 26.081 1.00 42.51 H new ATOM 0 HD3 LYS A 38 3.202 6.226 26.319 1.00 42.51 H new ATOM 0 HE2 LYS A 38 4.998 5.985 24.713 1.00 51.12 H new ATOM 0 HE3 LYS A 38 3.478 5.743 23.875 1.00 51.12 H new ATOM 0 HZ1 LYS A 38 4.942 7.189 22.634 1.00 42.23 H new ATOM 0 HZ2 LYS A 38 3.557 8.041 23.124 1.00 42.23 H new ATOM 0 HZ3 LYS A 38 5.029 8.276 23.936 1.00 42.23 H new ATOM 626 N GLU A 39 0.601 5.796 28.014 1.00 14.15 N ATOM 627 CA GLU A 39 0.022 6.040 29.320 1.00 20.31 C ATOM 628 C GLU A 39 -0.265 7.514 29.560 1.00 61.43 C ATOM 629 O GLU A 39 0.612 8.370 29.467 1.00 2.14 O ATOM 630 CB GLU A 39 0.938 5.493 30.447 1.00 51.30 C ATOM 631 CG GLU A 39 1.065 3.948 30.422 1.00 40.43 C ATOM 632 CD GLU A 39 1.997 3.422 31.514 1.00 60.42 C ATOM 633 OE1 GLU A 39 3.213 3.739 31.450 1.00 34.22 O ATOM 634 OE2 GLU A 39 1.499 2.691 32.409 1.00 25.40 O ATOM 0 H GLU A 39 1.570 5.480 28.036 1.00 14.15 H new ATOM 0 HA GLU A 39 -0.929 5.508 29.340 1.00 20.31 H new ATOM 0 HB2 GLU A 39 1.929 5.936 30.350 1.00 51.30 H new ATOM 0 HB3 GLU A 39 0.543 5.805 31.414 1.00 51.30 H new ATOM 0 HG2 GLU A 39 0.078 3.503 30.545 1.00 40.43 H new ATOM 0 HG3 GLU A 39 1.437 3.632 29.447 1.00 40.43 H new ATOM 641 N GLY A 40 -1.543 7.828 29.876 1.00 11.41 N ATOM 642 CA GLY A 40 -2.003 9.187 30.106 1.00 61.41 C ATOM 643 C GLY A 40 -2.463 9.909 28.864 1.00 52.34 C ATOM 644 O GLY A 40 -2.949 11.032 28.966 1.00 14.11 O ATOM 0 H GLY A 40 -2.278 7.128 29.976 1.00 11.41 H new ATOM 0 HA2 GLY A 40 -2.824 9.163 30.822 1.00 61.41 H new ATOM 0 HA3 GLY A 40 -1.196 9.758 30.565 1.00 61.41 H new ATOM 648 N TYR A 41 -2.323 9.318 27.653 1.00 44.41 N ATOM 649 CA TYR A 41 -2.598 10.029 26.424 1.00 62.24 C ATOM 650 C TYR A 41 -4.075 10.000 26.100 1.00 44.34 C ATOM 651 O TYR A 41 -4.741 8.968 26.150 1.00 22.15 O ATOM 652 CB TYR A 41 -1.792 9.430 25.250 1.00 11.03 C ATOM 653 CG TYR A 41 -1.692 10.368 24.083 1.00 14.10 C ATOM 654 CD1 TYR A 41 -2.197 10.065 22.811 1.00 23.31 C ATOM 655 CD2 TYR A 41 -1.020 11.581 24.287 1.00 50.45 C ATOM 656 CE1 TYR A 41 -2.050 10.980 21.757 1.00 74.15 C ATOM 657 CE2 TYR A 41 -0.876 12.500 23.240 1.00 22.43 C ATOM 658 CZ TYR A 41 -1.397 12.201 21.975 1.00 13.24 C ATOM 659 OH TYR A 41 -1.253 13.132 20.925 1.00 11.01 O ATOM 0 H TYR A 41 -2.021 8.353 27.522 1.00 44.41 H new ATOM 0 HA TYR A 41 -2.293 11.065 26.567 1.00 62.24 H new ATOM 0 HB2 TYR A 41 -0.790 9.176 25.594 1.00 11.03 H new ATOM 0 HB3 TYR A 41 -2.263 8.502 24.926 1.00 11.03 H new ATOM 0 HD1 TYR A 41 -2.701 9.125 22.642 1.00 23.31 H new ATOM 0 HD2 TYR A 41 -0.610 11.809 25.260 1.00 50.45 H new ATOM 0 HE1 TYR A 41 -2.440 10.743 20.778 1.00 74.15 H new ATOM 0 HE2 TYR A 41 -0.365 13.436 23.408 1.00 22.43 H new ATOM 0 HH TYR A 41 -0.777 13.923 21.253 1.00 11.01 H new ATOM 669 N GLN A 42 -4.628 11.174 25.752 1.00 62.04 N ATOM 670 CA GLN A 42 -6.037 11.268 25.473 1.00 74.45 C ATOM 671 C GLN A 42 -6.291 11.139 23.981 1.00 63.01 C ATOM 672 O GLN A 42 -5.878 11.950 23.151 1.00 52.23 O ATOM 673 CB GLN A 42 -6.659 12.550 26.094 1.00 21.25 C ATOM 674 CG GLN A 42 -6.409 13.898 25.392 1.00 75.54 C ATOM 675 CD GLN A 42 -4.964 14.396 25.460 1.00 15.05 C ATOM 676 OE1 GLN A 42 -4.531 14.997 26.444 1.00 3.40 O ATOM 677 NE2 GLN A 42 -4.194 14.139 24.369 1.00 3.35 N ATOM 0 H GLN A 42 -4.114 12.050 25.663 1.00 62.04 H new ATOM 0 HA GLN A 42 -6.546 10.433 25.954 1.00 74.45 H new ATOM 0 HB2 GLN A 42 -7.737 12.401 26.153 1.00 21.25 H new ATOM 0 HB3 GLN A 42 -6.292 12.635 27.117 1.00 21.25 H new ATOM 0 HG2 GLN A 42 -6.698 13.806 24.345 1.00 75.54 H new ATOM 0 HG3 GLN A 42 -7.060 14.650 25.838 1.00 75.54 H new ATOM 0 HE21 GLN A 42 -4.589 13.638 23.573 1.00 3.35 H new ATOM 0 HE22 GLN A 42 -3.222 14.447 24.347 1.00 3.35 H new ATOM 686 N ILE A 43 -7.011 10.066 23.612 1.00 71.52 N ATOM 687 CA ILE A 43 -7.608 9.898 22.302 1.00 31.42 C ATOM 688 C ILE A 43 -9.105 10.118 22.390 1.00 33.33 C ATOM 689 O ILE A 43 -9.823 9.425 23.109 1.00 2.42 O ATOM 690 CB ILE A 43 -7.311 8.524 21.762 1.00 14.13 C ATOM 691 CG1 ILE A 43 -5.791 8.295 21.676 1.00 52.44 C ATOM 692 CG2 ILE A 43 -7.982 8.271 20.392 1.00 45.23 C ATOM 693 CD1 ILE A 43 -5.051 9.241 20.729 1.00 40.13 C ATOM 0 H ILE A 43 -7.190 9.282 24.239 1.00 71.52 H new ATOM 0 HA ILE A 43 -7.180 10.634 21.621 1.00 31.42 H new ATOM 0 HB ILE A 43 -7.738 7.805 22.461 1.00 14.13 H new ATOM 0 HG12 ILE A 43 -5.366 8.397 22.674 1.00 52.44 H new ATOM 0 HG13 ILE A 43 -5.610 7.269 21.356 1.00 52.44 H new ATOM 0 HG21 ILE A 43 -7.737 7.267 20.047 1.00 45.23 H new ATOM 0 HG22 ILE A 43 -9.063 8.366 20.493 1.00 45.23 H new ATOM 0 HG23 ILE A 43 -7.620 9.002 19.669 1.00 45.23 H new ATOM 0 HD11 ILE A 43 -3.987 9.003 20.735 1.00 40.13 H new ATOM 0 HD12 ILE A 43 -5.443 9.125 19.719 1.00 40.13 H new ATOM 0 HD13 ILE A 43 -5.195 10.270 21.057 1.00 40.13 H new ATOM 705 N THR A 44 -9.600 11.129 21.646 1.00 52.12 N ATOM 706 CA THR A 44 -10.992 11.573 21.669 1.00 4.51 C ATOM 707 C THR A 44 -11.555 11.674 20.267 1.00 54.10 C ATOM 708 O THR A 44 -12.670 12.150 20.070 1.00 61.33 O ATOM 709 CB THR A 44 -11.191 12.919 22.372 1.00 40.20 C ATOM 710 OG1 THR A 44 -10.457 13.977 21.758 1.00 32.02 O ATOM 711 CG2 THR A 44 -10.730 12.818 23.838 1.00 31.42 C ATOM 0 H THR A 44 -9.021 11.666 21.000 1.00 52.12 H new ATOM 0 HA THR A 44 -11.526 10.813 22.240 1.00 4.51 H new ATOM 0 HB THR A 44 -12.254 13.148 22.302 1.00 40.20 H new ATOM 0 HG1 THR A 44 -10.620 14.813 22.243 1.00 32.02 H new ATOM 0 HG21 THR A 44 -10.874 13.779 24.332 1.00 31.42 H new ATOM 0 HG22 THR A 44 -11.315 12.055 24.351 1.00 31.42 H new ATOM 0 HG23 THR A 44 -9.674 12.549 23.870 1.00 31.42 H new ATOM 719 N ASN A 45 -10.767 11.285 19.243 1.00 43.14 N ATOM 720 CA ASN A 45 -11.017 11.631 17.865 1.00 64.31 C ATOM 721 C ASN A 45 -11.918 10.625 17.188 1.00 13.24 C ATOM 722 O ASN A 45 -11.694 9.422 17.261 1.00 63.05 O ATOM 723 CB ASN A 45 -9.669 11.774 17.114 1.00 63.31 C ATOM 724 CG ASN A 45 -9.866 12.396 15.731 1.00 42.22 C ATOM 725 OD1 ASN A 45 -10.738 13.243 15.525 1.00 42.24 O ATOM 726 ND2 ASN A 45 -9.051 11.933 14.755 1.00 5.24 N ATOM 0 H ASN A 45 -9.932 10.714 19.373 1.00 43.14 H new ATOM 0 HA ASN A 45 -11.542 12.586 17.839 1.00 64.31 H new ATOM 0 HB2 ASN A 45 -8.988 12.392 17.699 1.00 63.31 H new ATOM 0 HB3 ASN A 45 -9.202 10.795 17.011 1.00 63.31 H new ATOM 0 HD21 ASN A 45 -9.145 12.286 13.802 1.00 5.24 H new ATOM 0 HD22 ASN A 45 -8.343 11.231 14.972 1.00 5.24 H new ATOM 733 N ARG A 46 -12.933 11.120 16.449 1.00 73.14 N ATOM 734 CA ARG A 46 -13.999 10.353 15.831 1.00 71.20 C ATOM 735 C ARG A 46 -13.495 9.320 14.836 1.00 55.13 C ATOM 736 O ARG A 46 -14.024 8.217 14.736 1.00 14.13 O ATOM 737 CB ARG A 46 -14.988 11.334 15.148 1.00 54.14 C ATOM 738 CG ARG A 46 -14.391 12.126 13.967 1.00 50.44 C ATOM 739 CD ARG A 46 -15.289 13.282 13.509 1.00 5.44 C ATOM 740 NE ARG A 46 -14.709 13.896 12.265 1.00 32.03 N ATOM 741 CZ ARG A 46 -13.665 14.781 12.275 1.00 35.50 C ATOM 742 NH1 ARG A 46 -13.093 15.173 13.448 1.00 30.33 N ATOM 743 NH2 ARG A 46 -13.198 15.267 11.088 1.00 34.32 N ATOM 0 H ARG A 46 -13.022 12.120 16.267 1.00 73.14 H new ATOM 0 HA ARG A 46 -14.502 9.788 16.616 1.00 71.20 H new ATOM 0 HB2 ARG A 46 -15.851 10.771 14.792 1.00 54.14 H new ATOM 0 HB3 ARG A 46 -15.354 12.039 15.894 1.00 54.14 H new ATOM 0 HG2 ARG A 46 -13.417 12.522 14.257 1.00 50.44 H new ATOM 0 HG3 ARG A 46 -14.224 11.449 13.129 1.00 50.44 H new ATOM 0 HD2 ARG A 46 -16.298 12.919 13.313 1.00 5.44 H new ATOM 0 HD3 ARG A 46 -15.367 14.032 14.296 1.00 5.44 H new ATOM 0 HE ARG A 46 -15.115 13.639 11.365 1.00 32.03 H new ATOM 0 HH11 ARG A 46 -13.442 14.806 14.333 1.00 30.33 H new ATOM 0 HH12 ARG A 46 -12.316 15.833 13.441 1.00 30.33 H new ATOM 0 HH21 ARG A 46 -13.626 14.970 10.211 1.00 34.32 H new ATOM 0 HH22 ARG A 46 -12.421 15.927 11.078 1.00 34.32 H new ATOM 757 N GLU A 47 -12.390 9.637 14.133 1.00 2.50 N ATOM 758 CA GLU A 47 -11.647 8.724 13.303 1.00 12.11 C ATOM 759 C GLU A 47 -10.994 7.569 13.997 1.00 21.35 C ATOM 760 O GLU A 47 -10.832 6.517 13.383 1.00 71.51 O ATOM 761 CB GLU A 47 -10.593 9.461 12.467 1.00 22.35 C ATOM 762 CG GLU A 47 -11.156 10.082 11.172 1.00 43.30 C ATOM 763 CD GLU A 47 -10.446 11.325 10.647 1.00 54.33 C ATOM 764 OE1 GLU A 47 -10.339 12.312 11.421 1.00 51.11 O ATOM 765 OE2 GLU A 47 -10.027 11.305 9.461 1.00 54.43 O ATOM 0 H GLU A 47 -11.992 10.576 14.141 1.00 2.50 H new ATOM 0 HA GLU A 47 -12.421 8.287 12.672 1.00 12.11 H new ATOM 0 HB2 GLU A 47 -10.146 10.249 13.073 1.00 22.35 H new ATOM 0 HB3 GLU A 47 -9.794 8.765 12.209 1.00 22.35 H new ATOM 0 HG2 GLU A 47 -11.133 9.321 10.392 1.00 43.30 H new ATOM 0 HG3 GLU A 47 -12.203 10.334 11.342 1.00 43.30 H new ATOM 772 N ALA A 48 -10.607 7.713 15.280 1.00 31.41 N ATOM 773 CA ALA A 48 -9.998 6.609 16.014 1.00 52.31 C ATOM 774 C ALA A 48 -10.909 5.388 16.052 1.00 63.33 C ATOM 775 O ALA A 48 -10.479 4.277 15.783 1.00 53.10 O ATOM 776 CB ALA A 48 -9.628 6.986 17.472 1.00 32.01 C ATOM 0 H ALA A 48 -10.708 8.575 15.816 1.00 31.41 H new ATOM 0 HA ALA A 48 -9.083 6.375 15.470 1.00 52.31 H new ATOM 0 HB1 ALA A 48 -9.179 6.125 17.968 1.00 32.01 H new ATOM 0 HB2 ALA A 48 -8.917 7.812 17.465 1.00 32.01 H new ATOM 0 HB3 ALA A 48 -10.527 7.286 18.010 1.00 32.01 H new ATOM 782 N GLY A 49 -12.227 5.567 16.277 1.00 54.41 N ATOM 783 CA GLY A 49 -13.186 4.466 16.267 1.00 2.11 C ATOM 784 C GLY A 49 -13.324 3.821 14.927 1.00 40.45 C ATOM 785 O GLY A 49 -13.482 2.607 14.838 1.00 31.51 O ATOM 0 H GLY A 49 -12.645 6.477 16.469 1.00 54.41 H new ATOM 0 HA2 GLY A 49 -12.876 3.716 16.994 1.00 2.11 H new ATOM 0 HA3 GLY A 49 -14.160 4.837 16.587 1.00 2.11 H new ATOM 789 N CYS A 50 -13.269 4.641 13.851 1.00 75.44 N ATOM 790 CA CYS A 50 -13.406 4.210 12.475 1.00 63.23 C ATOM 791 C CYS A 50 -12.272 3.282 12.088 1.00 44.23 C ATOM 792 O CYS A 50 -12.494 2.259 11.446 1.00 14.32 O ATOM 793 CB CYS A 50 -13.423 5.408 11.488 1.00 32.43 C ATOM 794 SG CYS A 50 -14.857 6.534 11.635 1.00 71.23 S ATOM 0 H CYS A 50 -13.123 5.647 13.939 1.00 75.44 H new ATOM 0 HA CYS A 50 -14.360 3.686 12.408 1.00 63.23 H new ATOM 0 HB2 CYS A 50 -12.512 5.988 11.634 1.00 32.43 H new ATOM 0 HB3 CYS A 50 -13.393 5.018 10.471 1.00 32.43 H new ATOM 799 N VAL A 51 -11.019 3.599 12.499 1.00 25.13 N ATOM 800 CA VAL A 51 -9.905 2.678 12.326 1.00 74.55 C ATOM 801 C VAL A 51 -10.045 1.464 13.208 1.00 40.20 C ATOM 802 O VAL A 51 -9.874 0.349 12.743 1.00 2.03 O ATOM 803 CB VAL A 51 -8.518 3.346 12.432 1.00 54.10 C ATOM 804 CG1 VAL A 51 -8.289 4.171 13.709 1.00 54.32 C ATOM 805 CG2 VAL A 51 -7.409 2.272 12.457 1.00 75.11 C ATOM 0 H VAL A 51 -10.772 4.481 12.947 1.00 25.13 H new ATOM 0 HA VAL A 51 -9.959 2.331 11.294 1.00 74.55 H new ATOM 0 HB VAL A 51 -8.483 4.006 11.565 1.00 54.10 H new ATOM 0 HG11 VAL A 51 -7.287 4.600 13.690 1.00 54.32 H new ATOM 0 HG12 VAL A 51 -9.026 4.973 13.761 1.00 54.32 H new ATOM 0 HG13 VAL A 51 -8.392 3.526 14.582 1.00 54.32 H new ATOM 0 HG21 VAL A 51 -6.435 2.756 12.532 1.00 75.11 H new ATOM 0 HG22 VAL A 51 -7.556 1.617 13.316 1.00 75.11 H new ATOM 0 HG23 VAL A 51 -7.452 1.683 11.541 1.00 75.11 H new ATOM 815 N ILE A 52 -10.459 1.612 14.476 1.00 31.30 N ATOM 816 CA ILE A 52 -10.526 0.511 15.431 1.00 22.30 C ATOM 817 C ILE A 52 -11.439 -0.613 14.980 1.00 5.13 C ATOM 818 O ILE A 52 -11.068 -1.785 15.018 1.00 54.50 O ATOM 819 CB ILE A 52 -10.951 1.040 16.797 1.00 21.33 C ATOM 820 CG1 ILE A 52 -9.815 1.875 17.411 1.00 25.33 C ATOM 821 CG2 ILE A 52 -11.390 -0.111 17.723 1.00 22.50 C ATOM 822 CD1 ILE A 52 -10.136 2.904 18.512 1.00 51.40 C ATOM 0 H ILE A 52 -10.757 2.507 14.863 1.00 31.30 H new ATOM 0 HA ILE A 52 -9.527 0.080 15.498 1.00 22.30 H new ATOM 0 HB ILE A 52 -11.817 1.691 16.673 1.00 21.33 H new ATOM 0 HG12 ILE A 52 -9.082 1.179 17.819 1.00 25.33 H new ATOM 0 HG13 ILE A 52 -9.327 2.410 16.597 1.00 25.33 H new ATOM 0 HG21 ILE A 52 -11.688 0.294 18.690 1.00 22.50 H new ATOM 0 HG22 ILE A 52 -12.233 -0.637 17.275 1.00 22.50 H new ATOM 0 HG23 ILE A 52 -10.560 -0.805 17.860 1.00 22.50 H new ATOM 0 HD11 ILE A 52 -9.217 3.399 18.827 1.00 51.40 H new ATOM 0 HD12 ILE A 52 -10.833 3.646 18.124 1.00 51.40 H new ATOM 0 HD13 ILE A 52 -10.585 2.396 19.365 1.00 51.40 H new ATOM 834 N LEU A 53 -12.644 -0.279 14.484 1.00 44.05 N ATOM 835 CA LEU A 53 -13.585 -1.250 13.972 1.00 61.25 C ATOM 836 C LEU A 53 -13.129 -1.947 12.706 1.00 2.13 C ATOM 837 O LEU A 53 -13.468 -3.100 12.450 1.00 3.43 O ATOM 838 CB LEU A 53 -14.986 -0.595 13.825 1.00 14.01 C ATOM 839 CG LEU A 53 -15.124 0.626 12.885 1.00 21.31 C ATOM 840 CD1 LEU A 53 -15.199 0.298 11.387 1.00 52.00 C ATOM 841 CD2 LEU A 53 -16.345 1.473 13.288 1.00 62.32 C ATOM 0 H LEU A 53 -12.980 0.683 14.434 1.00 44.05 H new ATOM 0 HA LEU A 53 -13.648 -2.055 14.704 1.00 61.25 H new ATOM 0 HB2 LEU A 53 -15.678 -1.362 13.479 1.00 14.01 H new ATOM 0 HB3 LEU A 53 -15.318 -0.291 14.818 1.00 14.01 H new ATOM 0 HG LEU A 53 -14.197 1.184 13.016 1.00 21.31 H new ATOM 0 HD11 LEU A 53 -15.294 1.222 10.817 1.00 52.00 H new ATOM 0 HD12 LEU A 53 -14.292 -0.224 11.083 1.00 52.00 H new ATOM 0 HD13 LEU A 53 -16.064 -0.337 11.196 1.00 52.00 H new ATOM 0 HD21 LEU A 53 -16.431 2.329 12.619 1.00 62.32 H new ATOM 0 HD22 LEU A 53 -17.248 0.866 13.219 1.00 62.32 H new ATOM 0 HD23 LEU A 53 -16.222 1.824 14.312 1.00 62.32 H new ATOM 853 N CYS A 54 -12.300 -1.248 11.905 1.00 10.43 N ATOM 854 CA CYS A 54 -11.648 -1.767 10.715 1.00 43.14 C ATOM 855 C CYS A 54 -10.700 -2.912 11.021 1.00 53.40 C ATOM 856 O CYS A 54 -10.737 -3.917 10.311 1.00 53.15 O ATOM 857 CB CYS A 54 -10.932 -0.640 9.915 1.00 20.13 C ATOM 858 SG CYS A 54 -10.086 -1.196 8.401 1.00 52.41 S ATOM 0 H CYS A 54 -12.066 -0.272 12.087 1.00 10.43 H new ATOM 0 HA CYS A 54 -12.439 -2.174 10.085 1.00 43.14 H new ATOM 0 HB2 CYS A 54 -11.667 0.118 9.646 1.00 20.13 H new ATOM 0 HB3 CYS A 54 -10.202 -0.159 10.566 1.00 20.13 H new ATOM 863 N LEU A 55 -9.858 -2.861 12.095 1.00 1.31 N ATOM 864 CA LEU A 55 -9.019 -3.974 12.437 1.00 64.24 C ATOM 865 C LEU A 55 -9.780 -5.219 12.762 1.00 73.42 C ATOM 866 O LEU A 55 -9.363 -6.302 12.388 1.00 64.13 O ATOM 867 CB LEU A 55 -8.186 -3.546 13.614 1.00 2.43 C ATOM 868 CG LEU A 55 -7.076 -2.545 13.237 1.00 54.53 C ATOM 869 CD1 LEU A 55 -5.974 -3.190 12.393 1.00 43.34 C ATOM 870 CD2 LEU A 55 -7.407 -1.160 12.701 1.00 4.43 C ATOM 0 H LEU A 55 -9.766 -2.055 12.713 1.00 1.31 H new ATOM 0 HA LEU A 55 -8.407 -4.232 11.573 1.00 64.24 H new ATOM 0 HB2 LEU A 55 -8.834 -3.095 14.365 1.00 2.43 H new ATOM 0 HB3 LEU A 55 -7.733 -4.426 14.071 1.00 2.43 H new ATOM 0 HG LEU A 55 -6.743 -2.299 14.245 1.00 54.53 H new ATOM 0 HD11 LEU A 55 -5.216 -2.444 12.153 1.00 43.34 H new ATOM 0 HD12 LEU A 55 -5.517 -4.005 12.953 1.00 43.34 H new ATOM 0 HD13 LEU A 55 -6.404 -3.580 11.470 1.00 43.34 H new ATOM 0 HD21 LEU A 55 -6.483 -0.618 12.499 1.00 4.43 H new ATOM 0 HD22 LEU A 55 -7.981 -1.254 11.779 1.00 4.43 H new ATOM 0 HD23 LEU A 55 -7.994 -0.615 13.440 1.00 4.43 H new ATOM 882 N ALA A 56 -10.935 -5.086 13.421 1.00 3.15 N ATOM 883 CA ALA A 56 -11.747 -6.177 13.905 1.00 1.14 C ATOM 884 C ALA A 56 -12.183 -7.177 12.854 1.00 1.34 C ATOM 885 O ALA A 56 -12.210 -8.391 13.075 1.00 74.14 O ATOM 886 CB ALA A 56 -12.974 -5.584 14.613 1.00 34.12 C ATOM 0 H ALA A 56 -11.335 -4.172 13.634 1.00 3.15 H new ATOM 0 HA ALA A 56 -11.120 -6.754 14.585 1.00 1.14 H new ATOM 0 HB1 ALA A 56 -13.603 -6.391 14.988 1.00 34.12 H new ATOM 0 HB2 ALA A 56 -12.648 -4.962 15.446 1.00 34.12 H new ATOM 0 HB3 ALA A 56 -13.543 -4.978 13.908 1.00 34.12 H new ATOM 892 N LYS A 57 -12.509 -6.669 11.657 1.00 2.31 N ATOM 893 CA LYS A 57 -12.707 -7.504 10.486 1.00 21.54 C ATOM 894 C LYS A 57 -11.406 -8.103 9.956 1.00 2.13 C ATOM 895 O LYS A 57 -11.335 -9.267 9.563 1.00 13.21 O ATOM 896 CB LYS A 57 -13.396 -6.700 9.357 1.00 53.12 C ATOM 897 CG LYS A 57 -14.841 -6.301 9.698 1.00 72.41 C ATOM 898 CD LYS A 57 -15.516 -5.503 8.570 1.00 22.04 C ATOM 899 CE LYS A 57 -16.990 -5.214 8.850 1.00 21.15 C ATOM 900 NZ LYS A 57 -17.589 -4.512 7.698 1.00 22.11 N ATOM 0 H LYS A 57 -12.640 -5.672 11.484 1.00 2.31 H new ATOM 0 HA LYS A 57 -13.345 -8.329 10.803 1.00 21.54 H new ATOM 0 HB2 LYS A 57 -12.815 -5.800 9.153 1.00 53.12 H new ATOM 0 HB3 LYS A 57 -13.395 -7.294 8.443 1.00 53.12 H new ATOM 0 HG2 LYS A 57 -15.424 -7.199 9.901 1.00 72.41 H new ATOM 0 HG3 LYS A 57 -14.844 -5.706 10.611 1.00 72.41 H new ATOM 0 HD2 LYS A 57 -14.986 -4.561 8.430 1.00 22.04 H new ATOM 0 HD3 LYS A 57 -15.430 -6.059 7.636 1.00 22.04 H new ATOM 0 HE2 LYS A 57 -17.524 -6.146 9.037 1.00 21.15 H new ATOM 0 HE3 LYS A 57 -17.086 -4.605 9.749 1.00 21.15 H new ATOM 0 HZ1 LYS A 57 -18.592 -4.318 7.893 1.00 22.11 H new ATOM 0 HZ2 LYS A 57 -17.087 -3.615 7.539 1.00 22.11 H new ATOM 0 HZ3 LYS A 57 -17.511 -5.108 6.849 1.00 22.11 H new ATOM 914 N LYS A 58 -10.321 -7.306 9.935 1.00 0.12 N ATOM 915 CA LYS A 58 -9.078 -7.615 9.263 1.00 12.45 C ATOM 916 C LYS A 58 -8.064 -8.325 10.157 1.00 62.30 C ATOM 917 O LYS A 58 -6.871 -8.037 10.147 1.00 13.41 O ATOM 918 CB LYS A 58 -8.482 -6.315 8.683 1.00 53.03 C ATOM 919 CG LYS A 58 -9.300 -5.690 7.541 1.00 3.02 C ATOM 920 CD LYS A 58 -8.592 -4.453 6.967 1.00 20.22 C ATOM 921 CE LYS A 58 -9.290 -3.840 5.755 1.00 64.12 C ATOM 922 NZ LYS A 58 -8.637 -2.564 5.428 1.00 1.44 N ATOM 0 H LYS A 58 -10.301 -6.402 10.406 1.00 0.12 H new ATOM 0 HA LYS A 58 -9.305 -8.318 8.461 1.00 12.45 H new ATOM 0 HB2 LYS A 58 -8.387 -5.584 9.486 1.00 53.03 H new ATOM 0 HB3 LYS A 58 -7.475 -6.523 8.320 1.00 53.03 H new ATOM 0 HG2 LYS A 58 -9.450 -6.426 6.751 1.00 3.02 H new ATOM 0 HG3 LYS A 58 -10.288 -5.410 7.908 1.00 3.02 H new ATOM 0 HD2 LYS A 58 -8.514 -3.697 7.749 1.00 20.22 H new ATOM 0 HD3 LYS A 58 -7.575 -4.727 6.687 1.00 20.22 H new ATOM 0 HE2 LYS A 58 -9.237 -4.520 4.905 1.00 64.12 H new ATOM 0 HE3 LYS A 58 -10.347 -3.679 5.969 1.00 64.12 H new ATOM 0 HZ1 LYS A 58 -8.755 -2.364 4.414 1.00 1.44 H new ATOM 0 HZ2 LYS A 58 -9.070 -1.800 5.985 1.00 1.44 H new ATOM 0 HZ3 LYS A 58 -7.624 -2.625 5.654 1.00 1.44 H new ATOM 936 N LEU A 59 -8.518 -9.338 10.922 1.00 31.02 N ATOM 937 CA LEU A 59 -7.677 -10.127 11.821 1.00 24.13 C ATOM 938 C LEU A 59 -7.151 -11.325 11.098 1.00 30.31 C ATOM 939 O LEU A 59 -6.129 -11.907 11.423 1.00 60.11 O ATOM 940 CB LEU A 59 -8.393 -10.688 13.060 1.00 5.00 C ATOM 941 CG LEU A 59 -8.992 -9.602 13.956 1.00 73.24 C ATOM 942 CD1 LEU A 59 -9.691 -10.223 15.174 1.00 12.31 C ATOM 943 CD2 LEU A 59 -8.158 -8.356 14.240 1.00 52.40 C ATOM 0 H LEU A 59 -9.496 -9.629 10.927 1.00 31.02 H new ATOM 0 HA LEU A 59 -6.908 -9.427 12.147 1.00 24.13 H new ATOM 0 HB2 LEU A 59 -9.187 -11.362 12.738 1.00 5.00 H new ATOM 0 HB3 LEU A 59 -7.687 -11.281 13.642 1.00 5.00 H new ATOM 0 HG LEU A 59 -9.754 -9.132 13.334 1.00 73.24 H new ATOM 0 HD11 LEU A 59 -10.109 -9.432 15.796 1.00 12.31 H new ATOM 0 HD12 LEU A 59 -10.492 -10.881 14.837 1.00 12.31 H new ATOM 0 HD13 LEU A 59 -8.969 -10.798 15.754 1.00 12.31 H new ATOM 0 HD21 LEU A 59 -8.719 -7.683 14.888 1.00 52.40 H new ATOM 0 HD22 LEU A 59 -7.229 -8.644 14.733 1.00 52.40 H new ATOM 0 HD23 LEU A 59 -7.929 -7.850 13.302 1.00 52.40 H new ATOM 955 N GLU A 60 -7.861 -11.696 10.036 1.00 2.14 N ATOM 956 CA GLU A 60 -7.481 -12.748 9.104 1.00 65.31 C ATOM 957 C GLU A 60 -6.206 -12.404 8.342 1.00 10.35 C ATOM 958 O GLU A 60 -5.558 -13.263 7.751 1.00 42.14 O ATOM 959 CB GLU A 60 -8.637 -13.092 8.123 1.00 3.13 C ATOM 960 CG GLU A 60 -9.052 -11.984 7.124 1.00 62.43 C ATOM 961 CD GLU A 60 -10.215 -12.426 6.229 1.00 63.44 C ATOM 962 OE1 GLU A 60 -11.300 -12.735 6.784 1.00 30.05 O ATOM 963 OE2 GLU A 60 -10.022 -12.443 4.986 1.00 3.23 O ATOM 0 H GLU A 60 -8.748 -11.255 9.794 1.00 2.14 H new ATOM 0 HA GLU A 60 -7.276 -13.635 9.703 1.00 65.31 H new ATOM 0 HB2 GLU A 60 -8.348 -13.974 7.552 1.00 3.13 H new ATOM 0 HB3 GLU A 60 -9.513 -13.366 8.711 1.00 3.13 H new ATOM 0 HG2 GLU A 60 -9.338 -11.088 7.675 1.00 62.43 H new ATOM 0 HG3 GLU A 60 -8.197 -11.717 6.503 1.00 62.43 H new ATOM 970 N LEU A 61 -5.836 -11.104 8.364 1.00 41.22 N ATOM 971 CA LEU A 61 -4.595 -10.547 7.864 1.00 34.43 C ATOM 972 C LEU A 61 -3.407 -10.932 8.737 1.00 42.20 C ATOM 973 O LEU A 61 -2.268 -10.973 8.280 1.00 32.21 O ATOM 974 CB LEU A 61 -4.616 -9.010 7.755 1.00 52.52 C ATOM 975 CG LEU A 61 -5.682 -8.365 6.842 1.00 72.13 C ATOM 976 CD1 LEU A 61 -5.096 -7.198 6.043 1.00 54.44 C ATOM 977 CD2 LEU A 61 -6.705 -9.236 6.092 1.00 1.21 C ATOM 0 H LEU A 61 -6.444 -10.387 8.759 1.00 41.22 H new ATOM 0 HA LEU A 61 -4.489 -10.972 6.866 1.00 34.43 H new ATOM 0 HB2 LEU A 61 -4.746 -8.605 8.759 1.00 52.52 H new ATOM 0 HB3 LEU A 61 -3.636 -8.686 7.405 1.00 52.52 H new ATOM 0 HG LEU A 61 -6.394 -7.979 7.572 1.00 72.13 H new ATOM 0 HD11 LEU A 61 -5.871 -6.765 5.410 1.00 54.44 H new ATOM 0 HD12 LEU A 61 -4.722 -6.439 6.730 1.00 54.44 H new ATOM 0 HD13 LEU A 61 -4.278 -7.558 5.420 1.00 54.44 H new ATOM 0 HD21 LEU A 61 -7.366 -8.598 5.506 1.00 1.21 H new ATOM 0 HD22 LEU A 61 -6.180 -9.923 5.428 1.00 1.21 H new ATOM 0 HD23 LEU A 61 -7.294 -9.806 6.811 1.00 1.21 H new ATOM 989 N LEU A 62 -3.668 -11.171 10.038 1.00 55.31 N ATOM 990 CA LEU A 62 -2.708 -11.403 11.099 1.00 3.41 C ATOM 991 C LEU A 62 -2.125 -12.801 11.004 1.00 13.52 C ATOM 992 O LEU A 62 -2.639 -13.698 10.339 1.00 60.41 O ATOM 993 CB LEU A 62 -3.355 -11.231 12.502 1.00 73.11 C ATOM 994 CG LEU A 62 -3.967 -9.829 12.701 1.00 73.12 C ATOM 995 CD1 LEU A 62 -4.849 -9.705 13.955 1.00 13.14 C ATOM 996 CD2 LEU A 62 -2.911 -8.713 12.696 1.00 4.51 C ATOM 0 H LEU A 62 -4.627 -11.206 10.383 1.00 55.31 H new ATOM 0 HA LEU A 62 -1.918 -10.663 10.976 1.00 3.41 H new ATOM 0 HB2 LEU A 62 -4.131 -11.985 12.636 1.00 73.11 H new ATOM 0 HB3 LEU A 62 -2.602 -11.408 13.270 1.00 73.11 H new ATOM 0 HG LEU A 62 -4.615 -9.700 11.834 1.00 73.12 H new ATOM 0 HD11 LEU A 62 -5.242 -8.691 14.025 1.00 13.14 H new ATOM 0 HD12 LEU A 62 -5.677 -10.411 13.889 1.00 13.14 H new ATOM 0 HD13 LEU A 62 -4.254 -9.925 14.841 1.00 13.14 H new ATOM 0 HD21 LEU A 62 -3.399 -7.749 12.840 1.00 4.51 H new ATOM 0 HD22 LEU A 62 -2.198 -8.883 13.503 1.00 4.51 H new ATOM 0 HD23 LEU A 62 -2.385 -8.714 11.741 1.00 4.51 H new ATOM 1008 N ASP A 63 -0.964 -13.003 11.653 1.00 12.23 N ATOM 1009 CA ASP A 63 -0.201 -14.225 11.518 1.00 31.22 C ATOM 1010 C ASP A 63 -0.809 -15.317 12.394 1.00 50.00 C ATOM 1011 O ASP A 63 -1.242 -15.071 13.516 1.00 3.32 O ATOM 1012 CB ASP A 63 1.279 -13.953 11.911 1.00 61.41 C ATOM 1013 CG ASP A 63 2.276 -15.020 11.468 1.00 24.43 C ATOM 1014 OD1 ASP A 63 2.187 -16.162 11.992 1.00 13.02 O ATOM 1015 OD2 ASP A 63 3.143 -14.693 10.617 1.00 21.21 O ATOM 0 H ASP A 63 -0.542 -12.318 12.280 1.00 12.23 H new ATOM 0 HA ASP A 63 -0.230 -14.567 10.483 1.00 31.22 H new ATOM 0 HB2 ASP A 63 1.581 -12.997 11.484 1.00 61.41 H new ATOM 0 HB3 ASP A 63 1.338 -13.851 12.995 1.00 61.41 H new ATOM 1020 N GLN A 64 -0.787 -16.581 11.922 1.00 42.53 N ATOM 1021 CA GLN A 64 -1.251 -17.727 12.676 1.00 43.21 C ATOM 1022 C GLN A 64 -0.489 -17.970 13.976 1.00 3.30 C ATOM 1023 O GLN A 64 -1.051 -18.466 14.948 1.00 50.12 O ATOM 1024 CB GLN A 64 -1.259 -18.994 11.782 1.00 42.11 C ATOM 1025 CG GLN A 64 -1.776 -20.273 12.484 1.00 64.14 C ATOM 1026 CD GLN A 64 -3.205 -20.112 13.024 1.00 61.20 C ATOM 1027 OE1 GLN A 64 -4.173 -19.912 12.285 1.00 2.11 O ATOM 1028 NE2 GLN A 64 -3.341 -20.179 14.375 1.00 61.51 N ATOM 0 H GLN A 64 -0.439 -16.820 10.993 1.00 42.53 H new ATOM 0 HA GLN A 64 -2.271 -17.495 12.983 1.00 43.21 H new ATOM 0 HB2 GLN A 64 -1.878 -18.801 10.906 1.00 42.11 H new ATOM 0 HB3 GLN A 64 -0.246 -19.176 11.423 1.00 42.11 H new ATOM 0 HG2 GLN A 64 -1.749 -21.106 11.781 1.00 64.14 H new ATOM 0 HG3 GLN A 64 -1.107 -20.528 13.306 1.00 64.14 H new ATOM 0 HE21 GLN A 64 -2.524 -20.345 14.962 1.00 61.51 H new ATOM 0 HE22 GLN A 64 -4.260 -20.063 14.801 1.00 61.51 H new ATOM 1037 N ASP A 65 0.799 -17.571 14.059 1.00 11.13 N ATOM 1038 CA ASP A 65 1.632 -17.734 15.243 1.00 5.04 C ATOM 1039 C ASP A 65 1.060 -17.056 16.490 1.00 62.10 C ATOM 1040 O ASP A 65 1.204 -17.579 17.592 1.00 71.24 O ATOM 1041 CB ASP A 65 3.066 -17.179 15.009 1.00 22.31 C ATOM 1042 CG ASP A 65 3.898 -18.048 14.066 1.00 24.22 C ATOM 1043 OD1 ASP A 65 3.500 -19.207 13.787 1.00 61.55 O ATOM 1044 OD2 ASP A 65 4.971 -17.546 13.638 1.00 41.51 O ATOM 0 H ASP A 65 1.286 -17.120 13.284 1.00 11.13 H new ATOM 0 HA ASP A 65 1.660 -18.810 15.418 1.00 5.04 H new ATOM 0 HB2 ASP A 65 2.997 -16.171 14.599 1.00 22.31 H new ATOM 0 HB3 ASP A 65 3.579 -17.099 15.967 1.00 22.31 H new ATOM 1049 N MET A 66 0.395 -15.880 16.361 1.00 62.25 N ATOM 1050 CA MET A 66 -0.244 -15.243 17.504 1.00 71.45 C ATOM 1051 C MET A 66 -1.579 -15.883 17.865 1.00 24.44 C ATOM 1052 O MET A 66 -2.051 -15.712 18.986 1.00 11.55 O ATOM 1053 CB MET A 66 -0.424 -13.706 17.333 1.00 35.41 C ATOM 1054 CG MET A 66 -1.426 -13.212 16.271 1.00 55.53 C ATOM 1055 SD MET A 66 -1.649 -11.404 16.215 1.00 32.14 S ATOM 1056 CE MET A 66 -0.026 -10.958 15.534 1.00 75.14 C ATOM 0 H MET A 66 0.297 -15.372 15.482 1.00 62.25 H new ATOM 0 HA MET A 66 0.449 -15.406 18.329 1.00 71.45 H new ATOM 0 HB2 MET A 66 -0.728 -13.295 18.296 1.00 35.41 H new ATOM 0 HB3 MET A 66 0.551 -13.279 17.097 1.00 35.41 H new ATOM 0 HG2 MET A 66 -1.093 -13.554 15.291 1.00 55.53 H new ATOM 0 HG3 MET A 66 -2.393 -13.678 16.460 1.00 55.53 H new ATOM 0 HE1 MET A 66 -0.042 -9.918 15.208 1.00 75.14 H new ATOM 0 HE2 MET A 66 0.738 -11.086 16.301 1.00 75.14 H new ATOM 0 HE3 MET A 66 0.201 -11.602 14.684 1.00 75.14 H new ATOM 1066 N ASN A 67 -2.174 -16.667 16.929 1.00 74.42 N ATOM 1067 CA ASN A 67 -3.462 -17.346 17.001 1.00 33.24 C ATOM 1068 C ASN A 67 -4.713 -16.473 17.060 1.00 70.15 C ATOM 1069 O ASN A 67 -5.760 -16.941 17.504 1.00 31.10 O ATOM 1070 CB ASN A 67 -3.499 -18.373 18.182 1.00 4.44 C ATOM 1071 CG ASN A 67 -2.536 -19.540 17.952 1.00 1.53 C ATOM 1072 OD1 ASN A 67 -2.932 -20.555 17.371 1.00 43.55 O ATOM 1073 ND2 ASN A 67 -1.266 -19.418 18.409 1.00 40.03 N ATOM 0 H ASN A 67 -1.714 -16.845 16.036 1.00 74.42 H new ATOM 0 HA ASN A 67 -3.515 -17.843 16.032 1.00 33.24 H new ATOM 0 HB2 ASN A 67 -3.241 -17.867 19.112 1.00 4.44 H new ATOM 0 HB3 ASN A 67 -4.513 -18.756 18.299 1.00 4.44 H new ATOM 0 HD21 ASN A 67 -0.601 -20.180 18.277 1.00 40.03 H new ATOM 0 HD22 ASN A 67 -0.975 -18.564 18.885 1.00 40.03 H new ATOM 1080 N LEU A 68 -4.693 -15.208 16.566 1.00 31.23 N ATOM 1081 CA LEU A 68 -5.899 -14.394 16.550 1.00 70.44 C ATOM 1082 C LEU A 68 -6.768 -14.751 15.364 1.00 41.42 C ATOM 1083 O LEU A 68 -6.351 -14.633 14.214 1.00 61.44 O ATOM 1084 CB LEU A 68 -5.602 -12.874 16.461 1.00 34.23 C ATOM 1085 CG LEU A 68 -6.686 -11.921 17.041 1.00 5.24 C ATOM 1086 CD1 LEU A 68 -6.560 -10.462 16.615 1.00 74.43 C ATOM 1087 CD2 LEU A 68 -8.090 -12.452 17.400 1.00 72.23 C ATOM 0 H LEU A 68 -3.864 -14.752 16.184 1.00 31.23 H new ATOM 0 HA LEU A 68 -6.405 -14.603 17.492 1.00 70.44 H new ATOM 0 HB2 LEU A 68 -4.663 -12.679 16.979 1.00 34.23 H new ATOM 0 HB3 LEU A 68 -5.447 -12.617 15.413 1.00 34.23 H new ATOM 0 HG LEU A 68 -6.363 -11.921 18.082 1.00 5.24 H new ATOM 0 HD11 LEU A 68 -7.360 -9.879 17.071 1.00 74.43 H new ATOM 0 HD12 LEU A 68 -5.596 -10.070 16.939 1.00 74.43 H new ATOM 0 HD13 LEU A 68 -6.633 -10.392 15.530 1.00 74.43 H new ATOM 0 HD21 LEU A 68 -8.699 -11.636 17.788 1.00 72.23 H new ATOM 0 HD22 LEU A 68 -8.562 -12.865 16.508 1.00 72.23 H new ATOM 0 HD23 LEU A 68 -8.002 -13.231 18.157 1.00 72.23 H new ATOM 1099 N HIS A 69 -8.026 -15.153 15.622 1.00 50.45 N ATOM 1100 CA HIS A 69 -9.021 -15.230 14.588 1.00 10.52 C ATOM 1101 C HIS A 69 -10.301 -14.697 15.159 1.00 31.42 C ATOM 1102 O HIS A 69 -10.582 -14.821 16.352 1.00 60.53 O ATOM 1103 CB HIS A 69 -9.235 -16.671 14.052 1.00 71.41 C ATOM 1104 CG HIS A 69 -8.056 -17.241 13.304 1.00 52.33 C ATOM 1105 ND1 HIS A 69 -7.899 -17.029 11.962 1.00 30.01 N ATOM 1106 CD2 HIS A 69 -7.025 -18.027 13.698 1.00 20.15 C ATOM 1107 CE1 HIS A 69 -6.828 -17.680 11.548 1.00 32.11 C ATOM 1108 NE2 HIS A 69 -6.282 -18.299 12.578 1.00 34.44 N ATOM 0 H HIS A 69 -8.358 -15.426 16.547 1.00 50.45 H new ATOM 0 HA HIS A 69 -8.683 -14.643 13.734 1.00 10.52 H new ATOM 0 HB2 HIS A 69 -9.468 -17.326 14.891 1.00 71.41 H new ATOM 0 HB3 HIS A 69 -10.104 -16.675 13.393 1.00 71.41 H new ATOM 0 HD2 HIS A 69 -6.826 -18.373 14.702 1.00 20.15 H new ATOM 0 HE1 HIS A 69 -6.459 -17.702 10.533 1.00 32.11 H new ATOM 0 HE2 HIS A 69 -5.446 -18.883 12.546 1.00 34.44 H new ATOM 1117 N HIS A 70 -11.097 -14.036 14.298 1.00 4.30 N ATOM 1118 CA HIS A 70 -12.340 -13.399 14.663 1.00 20.14 C ATOM 1119 C HIS A 70 -13.371 -14.427 15.102 1.00 54.13 C ATOM 1120 O HIS A 70 -13.585 -15.445 14.449 1.00 55.44 O ATOM 1121 CB HIS A 70 -12.848 -12.575 13.464 1.00 0.31 C ATOM 1122 CG HIS A 70 -14.069 -11.728 13.669 1.00 65.40 C ATOM 1123 ND1 HIS A 70 -14.054 -10.361 13.590 1.00 42.43 N ATOM 1124 CD2 HIS A 70 -15.358 -12.100 13.841 1.00 21.45 C ATOM 1125 CE1 HIS A 70 -15.294 -9.924 13.706 1.00 70.52 C ATOM 1126 NE2 HIS A 70 -16.102 -10.954 13.867 1.00 11.42 N ATOM 0 H HIS A 70 -10.872 -13.938 13.308 1.00 4.30 H new ATOM 0 HA HIS A 70 -12.173 -12.734 15.510 1.00 20.14 H new ATOM 0 HB2 HIS A 70 -12.038 -11.923 13.138 1.00 0.31 H new ATOM 0 HB3 HIS A 70 -13.052 -13.265 12.645 1.00 0.31 H new ATOM 0 HD1 HIS A 70 -13.226 -9.780 13.463 1.00 42.43 H new ATOM 0 HD2 HIS A 70 -15.728 -13.110 13.939 1.00 21.45 H new ATOM 0 HE1 HIS A 70 -15.598 -8.888 13.674 1.00 70.52 H new ATOM 1135 N GLY A 71 -14.007 -14.181 16.262 1.00 42.41 N ATOM 1136 CA GLY A 71 -14.988 -15.076 16.865 1.00 20.24 C ATOM 1137 C GLY A 71 -14.415 -16.106 17.810 1.00 12.34 C ATOM 1138 O GLY A 71 -15.157 -16.746 18.548 1.00 53.13 O ATOM 0 H GLY A 71 -13.844 -13.336 16.810 1.00 42.41 H new ATOM 0 HA2 GLY A 71 -15.721 -14.477 17.405 1.00 20.24 H new ATOM 0 HA3 GLY A 71 -15.524 -15.593 16.069 1.00 20.24 H new ATOM 1142 N LYS A 72 -13.077 -16.289 17.836 1.00 14.00 N ATOM 1143 CA LYS A 72 -12.404 -17.355 18.565 1.00 52.24 C ATOM 1144 C LYS A 72 -11.794 -16.844 19.859 1.00 35.20 C ATOM 1145 O LYS A 72 -10.889 -17.463 20.423 1.00 1.44 O ATOM 1146 CB LYS A 72 -11.298 -18.062 17.719 1.00 35.44 C ATOM 1147 CG LYS A 72 -11.790 -19.035 16.622 1.00 41.32 C ATOM 1148 CD LYS A 72 -12.530 -18.412 15.427 1.00 20.24 C ATOM 1149 CE LYS A 72 -12.719 -19.368 14.243 1.00 4.41 C ATOM 1150 NZ LYS A 72 -13.572 -20.510 14.630 1.00 20.12 N ATOM 0 H LYS A 72 -12.431 -15.679 17.335 1.00 14.00 H new ATOM 0 HA LYS A 72 -13.177 -18.089 18.792 1.00 52.24 H new ATOM 0 HB2 LYS A 72 -10.686 -17.294 17.246 1.00 35.44 H new ATOM 0 HB3 LYS A 72 -10.648 -18.613 18.398 1.00 35.44 H new ATOM 0 HG2 LYS A 72 -10.928 -19.582 16.241 1.00 41.32 H new ATOM 0 HG3 LYS A 72 -12.451 -19.766 17.087 1.00 41.32 H new ATOM 0 HD2 LYS A 72 -13.508 -18.064 15.760 1.00 20.24 H new ATOM 0 HD3 LYS A 72 -11.978 -17.535 15.088 1.00 20.24 H new ATOM 0 HE2 LYS A 72 -13.172 -18.835 13.407 1.00 4.41 H new ATOM 0 HE3 LYS A 72 -11.749 -19.730 13.902 1.00 4.41 H new ATOM 0 HZ1 LYS A 72 -13.703 -21.138 13.812 1.00 20.12 H new ATOM 0 HZ2 LYS A 72 -13.117 -21.038 15.402 1.00 20.12 H new ATOM 0 HZ3 LYS A 72 -14.498 -20.159 14.949 1.00 20.12 H new ATOM 1164 N ALA A 73 -12.305 -15.707 20.391 1.00 33.10 N ATOM 1165 CA ALA A 73 -11.735 -14.991 21.518 1.00 44.54 C ATOM 1166 C ALA A 73 -11.584 -15.816 22.760 1.00 1.21 C ATOM 1167 O ALA A 73 -10.543 -15.766 23.395 1.00 33.24 O ATOM 1168 CB ALA A 73 -12.588 -13.780 21.924 1.00 73.05 C ATOM 0 H ALA A 73 -13.148 -15.265 20.025 1.00 33.10 H new ATOM 0 HA ALA A 73 -10.752 -14.695 21.151 1.00 44.54 H new ATOM 0 HB1 ALA A 73 -12.123 -13.275 22.771 1.00 73.05 H new ATOM 0 HB2 ALA A 73 -12.661 -13.089 21.085 1.00 73.05 H new ATOM 0 HB3 ALA A 73 -13.586 -14.116 22.205 1.00 73.05 H new ATOM 1174 N MET A 74 -12.582 -16.639 23.128 1.00 60.23 N ATOM 1175 CA MET A 74 -12.509 -17.424 24.349 1.00 31.52 C ATOM 1176 C MET A 74 -11.331 -18.400 24.352 1.00 43.31 C ATOM 1177 O MET A 74 -10.684 -18.600 25.377 1.00 63.52 O ATOM 1178 CB MET A 74 -13.822 -18.204 24.606 1.00 73.14 C ATOM 1179 CG MET A 74 -15.016 -17.280 24.921 1.00 44.43 C ATOM 1180 SD MET A 74 -16.580 -18.148 25.255 1.00 43.04 S ATOM 1181 CE MET A 74 -16.160 -18.718 26.929 1.00 42.12 C ATOM 0 H MET A 74 -13.440 -16.770 22.593 1.00 60.23 H new ATOM 0 HA MET A 74 -12.356 -16.704 25.153 1.00 31.52 H new ATOM 0 HB2 MET A 74 -14.058 -18.808 23.730 1.00 73.14 H new ATOM 0 HB3 MET A 74 -13.673 -18.893 25.437 1.00 73.14 H new ATOM 0 HG2 MET A 74 -14.765 -16.666 25.786 1.00 44.43 H new ATOM 0 HG3 MET A 74 -15.165 -16.602 24.081 1.00 44.43 H new ATOM 0 HE1 MET A 74 -16.210 -19.806 26.966 1.00 42.12 H new ATOM 0 HE2 MET A 74 -15.151 -18.392 27.182 1.00 42.12 H new ATOM 0 HE3 MET A 74 -16.867 -18.298 27.644 1.00 42.12 H new ATOM 1191 N GLU A 75 -11.021 -19.014 23.186 1.00 4.35 N ATOM 1192 CA GLU A 75 -9.859 -19.881 23.031 1.00 63.33 C ATOM 1193 C GLU A 75 -8.546 -19.115 22.897 1.00 3.44 C ATOM 1194 O GLU A 75 -7.556 -19.425 23.557 1.00 13.14 O ATOM 1195 CB GLU A 75 -10.017 -20.804 21.794 1.00 50.35 C ATOM 1196 CG GLU A 75 -11.152 -21.845 21.956 1.00 63.31 C ATOM 1197 CD GLU A 75 -11.301 -22.737 20.722 1.00 35.40 C ATOM 1198 OE1 GLU A 75 -12.379 -22.665 20.077 1.00 2.05 O ATOM 1199 OE2 GLU A 75 -10.344 -23.498 20.425 1.00 35.44 O ATOM 0 H GLU A 75 -11.576 -18.914 22.336 1.00 4.35 H new ATOM 0 HA GLU A 75 -9.814 -20.471 23.947 1.00 63.33 H new ATOM 0 HB2 GLU A 75 -10.216 -20.192 20.914 1.00 50.35 H new ATOM 0 HB3 GLU A 75 -9.077 -21.325 21.614 1.00 50.35 H new ATOM 0 HG2 GLU A 75 -10.951 -22.466 22.829 1.00 63.31 H new ATOM 0 HG3 GLU A 75 -12.093 -21.328 22.143 1.00 63.31 H new ATOM 1206 N PHE A 76 -8.537 -18.056 22.059 1.00 43.42 N ATOM 1207 CA PHE A 76 -7.426 -17.152 21.811 1.00 54.31 C ATOM 1208 C PHE A 76 -6.955 -16.409 23.048 1.00 52.20 C ATOM 1209 O PHE A 76 -5.756 -16.328 23.306 1.00 32.40 O ATOM 1210 CB PHE A 76 -7.831 -16.187 20.660 1.00 12.33 C ATOM 1211 CG PHE A 76 -6.874 -15.044 20.431 1.00 52.52 C ATOM 1212 CD1 PHE A 76 -5.526 -15.192 20.065 1.00 12.04 C ATOM 1213 CD2 PHE A 76 -7.375 -13.754 20.624 1.00 4.24 C ATOM 1214 CE1 PHE A 76 -4.722 -14.057 19.874 1.00 33.22 C ATOM 1215 CE2 PHE A 76 -6.557 -12.636 20.508 1.00 23.44 C ATOM 1216 CZ PHE A 76 -5.226 -12.779 20.121 1.00 4.12 C ATOM 0 H PHE A 76 -9.361 -17.807 21.512 1.00 43.42 H new ATOM 0 HA PHE A 76 -6.560 -17.743 21.513 1.00 54.31 H new ATOM 0 HB2 PHE A 76 -7.919 -16.760 19.737 1.00 12.33 H new ATOM 0 HB3 PHE A 76 -8.818 -15.779 20.877 1.00 12.33 H new ATOM 0 HD1 PHE A 76 -5.108 -16.179 19.931 1.00 12.04 H new ATOM 0 HD2 PHE A 76 -8.419 -13.623 20.868 1.00 4.24 H new ATOM 0 HE1 PHE A 76 -3.704 -14.174 19.533 1.00 33.22 H new ATOM 0 HE2 PHE A 76 -6.954 -11.654 20.718 1.00 23.44 H new ATOM 0 HZ PHE A 76 -4.592 -11.911 20.013 1.00 4.12 H new ATOM 1226 N ALA A 77 -7.885 -15.878 23.866 1.00 75.32 N ATOM 1227 CA ALA A 77 -7.578 -15.145 25.072 1.00 25.33 C ATOM 1228 C ALA A 77 -6.757 -15.963 26.060 1.00 50.12 C ATOM 1229 O ALA A 77 -5.783 -15.478 26.637 1.00 5.20 O ATOM 1230 CB ALA A 77 -8.912 -14.706 25.701 1.00 74.42 C ATOM 0 H ALA A 77 -8.886 -15.958 23.687 1.00 75.32 H new ATOM 0 HA ALA A 77 -6.963 -14.281 24.819 1.00 25.33 H new ATOM 0 HB1 ALA A 77 -8.716 -14.148 26.617 1.00 74.42 H new ATOM 0 HB2 ALA A 77 -9.454 -14.073 24.999 1.00 74.42 H new ATOM 0 HB3 ALA A 77 -9.512 -15.586 25.933 1.00 74.42 H new ATOM 1236 N MET A 78 -7.111 -17.259 26.218 1.00 72.44 N ATOM 1237 CA MET A 78 -6.393 -18.218 27.035 1.00 54.34 C ATOM 1238 C MET A 78 -4.980 -18.505 26.550 1.00 2.43 C ATOM 1239 O MET A 78 -4.057 -18.623 27.355 1.00 34.24 O ATOM 1240 CB MET A 78 -7.207 -19.523 27.194 1.00 24.21 C ATOM 1241 CG MET A 78 -8.475 -19.291 28.046 1.00 11.42 C ATOM 1242 SD MET A 78 -9.491 -20.777 28.329 1.00 32.14 S ATOM 1243 CE MET A 78 -8.356 -21.611 29.476 1.00 62.13 C ATOM 0 H MET A 78 -7.929 -17.661 25.761 1.00 72.44 H new ATOM 0 HA MET A 78 -6.277 -17.752 28.013 1.00 54.34 H new ATOM 0 HB2 MET A 78 -7.490 -19.900 26.211 1.00 24.21 H new ATOM 0 HB3 MET A 78 -6.586 -20.287 27.662 1.00 24.21 H new ATOM 0 HG2 MET A 78 -8.177 -18.883 29.012 1.00 11.42 H new ATOM 0 HG3 MET A 78 -9.090 -18.536 27.557 1.00 11.42 H new ATOM 0 HE1 MET A 78 -8.883 -22.416 29.988 1.00 62.13 H new ATOM 0 HE2 MET A 78 -7.515 -22.024 28.919 1.00 62.13 H new ATOM 0 HE3 MET A 78 -7.988 -20.894 30.210 1.00 62.13 H new ATOM 1253 N LYS A 79 -4.752 -18.562 25.215 1.00 14.14 N ATOM 1254 CA LYS A 79 -3.427 -18.725 24.622 1.00 73.13 C ATOM 1255 C LYS A 79 -2.484 -17.570 24.966 1.00 13.24 C ATOM 1256 O LYS A 79 -1.268 -17.741 25.020 1.00 24.12 O ATOM 1257 CB LYS A 79 -3.506 -18.860 23.076 1.00 12.44 C ATOM 1258 CG LYS A 79 -4.193 -20.155 22.611 1.00 53.22 C ATOM 1259 CD LYS A 79 -4.286 -20.294 21.083 1.00 13.42 C ATOM 1260 CE LYS A 79 -4.928 -21.612 20.648 1.00 41.33 C ATOM 1261 NZ LYS A 79 -5.081 -21.653 19.180 1.00 11.44 N ATOM 0 H LYS A 79 -5.499 -18.494 24.524 1.00 14.14 H new ATOM 0 HA LYS A 79 -3.025 -19.643 25.051 1.00 73.13 H new ATOM 0 HB2 LYS A 79 -4.047 -18.005 22.671 1.00 12.44 H new ATOM 0 HB3 LYS A 79 -2.498 -18.824 22.663 1.00 12.44 H new ATOM 0 HG2 LYS A 79 -3.647 -21.009 23.012 1.00 53.22 H new ATOM 0 HG3 LYS A 79 -5.198 -20.193 23.032 1.00 53.22 H new ATOM 0 HD2 LYS A 79 -4.865 -19.463 20.681 1.00 13.42 H new ATOM 0 HD3 LYS A 79 -3.286 -20.223 20.654 1.00 13.42 H new ATOM 0 HE2 LYS A 79 -4.314 -22.449 20.979 1.00 41.33 H new ATOM 0 HE3 LYS A 79 -5.902 -21.724 21.124 1.00 41.33 H new ATOM 0 HZ1 LYS A 79 -5.308 -22.623 18.882 1.00 11.44 H new ATOM 0 HZ2 LYS A 79 -5.849 -21.014 18.893 1.00 11.44 H new ATOM 0 HZ3 LYS A 79 -4.193 -21.351 18.730 1.00 11.44 H new ATOM 1275 N HIS A 80 -3.044 -16.371 25.241 1.00 3.13 N ATOM 1276 CA HIS A 80 -2.323 -15.176 25.638 1.00 4.44 C ATOM 1277 C HIS A 80 -2.271 -14.934 27.130 1.00 14.22 C ATOM 1278 O HIS A 80 -1.876 -13.859 27.576 1.00 32.34 O ATOM 1279 CB HIS A 80 -2.899 -13.953 24.902 1.00 63.11 C ATOM 1280 CG HIS A 80 -2.453 -13.981 23.467 1.00 61.40 C ATOM 1281 ND1 HIS A 80 -1.221 -13.499 23.116 1.00 70.13 N ATOM 1282 CD2 HIS A 80 -2.914 -14.681 22.408 1.00 43.33 C ATOM 1283 CE1 HIS A 80 -0.947 -13.883 21.883 1.00 2.11 C ATOM 1284 NE2 HIS A 80 -1.953 -14.607 21.433 1.00 14.42 N ATOM 0 H HIS A 80 -4.051 -16.220 25.186 1.00 3.13 H new ATOM 0 HA HIS A 80 -1.285 -15.338 25.347 1.00 4.44 H new ATOM 0 HB2 HIS A 80 -3.988 -13.961 24.957 1.00 63.11 H new ATOM 0 HB3 HIS A 80 -2.562 -13.034 25.382 1.00 63.11 H new ATOM 0 HD2 HIS A 80 -3.859 -15.200 22.342 1.00 43.33 H new ATOM 0 HE1 HIS A 80 -0.048 -13.644 21.334 1.00 2.11 H new ATOM 0 HE2 HIS A 80 -2.007 -15.041 20.511 1.00 14.42 H new ATOM 1293 N GLY A 81 -2.613 -15.946 27.957 1.00 4.01 N ATOM 1294 CA GLY A 81 -2.326 -15.898 29.383 1.00 4.22 C ATOM 1295 C GLY A 81 -3.454 -15.389 30.224 1.00 21.52 C ATOM 1296 O GLY A 81 -3.334 -15.330 31.445 1.00 32.30 O ATOM 0 H GLY A 81 -3.085 -16.797 27.651 1.00 4.01 H new ATOM 0 HA2 GLY A 81 -2.060 -16.899 29.721 1.00 4.22 H new ATOM 0 HA3 GLY A 81 -1.454 -15.264 29.545 1.00 4.22 H new ATOM 1300 N ALA A 82 -4.609 -15.047 29.616 1.00 52.40 N ATOM 1301 CA ALA A 82 -5.838 -14.907 30.376 1.00 2.22 C ATOM 1302 C ALA A 82 -6.300 -16.264 30.924 1.00 73.24 C ATOM 1303 O ALA A 82 -6.188 -17.291 30.261 1.00 63.03 O ATOM 1304 CB ALA A 82 -6.953 -14.307 29.497 1.00 50.30 C ATOM 0 H ALA A 82 -4.702 -14.868 28.616 1.00 52.40 H new ATOM 0 HA ALA A 82 -5.636 -14.236 31.211 1.00 2.22 H new ATOM 0 HB1 ALA A 82 -7.866 -14.210 30.084 1.00 50.30 H new ATOM 0 HB2 ALA A 82 -6.645 -13.325 29.139 1.00 50.30 H new ATOM 0 HB3 ALA A 82 -7.137 -14.962 28.645 1.00 50.30 H new ATOM 1310 N ASP A 83 -6.848 -16.327 32.162 1.00 61.45 N ATOM 1311 CA ASP A 83 -7.477 -17.550 32.633 1.00 65.15 C ATOM 1312 C ASP A 83 -8.903 -17.599 32.103 1.00 72.34 C ATOM 1313 O ASP A 83 -9.384 -16.644 31.500 1.00 0.45 O ATOM 1314 CB ASP A 83 -7.455 -17.683 34.176 1.00 63.11 C ATOM 1315 CG ASP A 83 -6.017 -17.758 34.680 1.00 61.11 C ATOM 1316 OD1 ASP A 83 -5.619 -16.845 35.448 1.00 22.34 O ATOM 1317 OD2 ASP A 83 -5.328 -18.751 34.329 1.00 32.32 O ATOM 0 H ASP A 83 -6.860 -15.554 32.828 1.00 61.45 H new ATOM 0 HA ASP A 83 -6.904 -18.396 32.254 1.00 65.15 H new ATOM 0 HB2 ASP A 83 -7.962 -16.831 34.629 1.00 63.11 H new ATOM 0 HB3 ASP A 83 -8.001 -18.577 34.479 1.00 63.11 H new ATOM 1322 N GLU A 84 -9.630 -18.725 32.295 1.00 65.45 N ATOM 1323 CA GLU A 84 -10.929 -18.929 31.663 1.00 41.03 C ATOM 1324 C GLU A 84 -11.979 -17.939 32.139 1.00 52.33 C ATOM 1325 O GLU A 84 -12.854 -17.520 31.385 1.00 62.44 O ATOM 1326 CB GLU A 84 -11.430 -20.392 31.841 1.00 15.55 C ATOM 1327 CG GLU A 84 -11.721 -20.833 33.296 1.00 33.44 C ATOM 1328 CD GLU A 84 -12.157 -22.298 33.383 1.00 13.34 C ATOM 1329 OE1 GLU A 84 -11.413 -23.086 34.023 1.00 3.44 O ATOM 1330 OE2 GLU A 84 -13.233 -22.630 32.824 1.00 55.02 O ATOM 0 H GLU A 84 -9.327 -19.500 32.886 1.00 65.45 H new ATOM 0 HA GLU A 84 -10.778 -18.745 30.599 1.00 41.03 H new ATOM 0 HB2 GLU A 84 -12.340 -20.518 31.254 1.00 15.55 H new ATOM 0 HB3 GLU A 84 -10.683 -21.065 31.420 1.00 15.55 H new ATOM 0 HG2 GLU A 84 -10.828 -20.685 33.903 1.00 33.44 H new ATOM 0 HG3 GLU A 84 -12.501 -20.198 33.716 1.00 33.44 H new ATOM 1337 N ALA A 85 -11.861 -17.513 33.414 1.00 74.43 N ATOM 1338 CA ALA A 85 -12.669 -16.487 34.033 1.00 31.44 C ATOM 1339 C ALA A 85 -12.402 -15.104 33.449 1.00 22.42 C ATOM 1340 O ALA A 85 -13.311 -14.362 33.090 1.00 13.51 O ATOM 1341 CB ALA A 85 -12.388 -16.504 35.547 1.00 40.54 C ATOM 0 H ALA A 85 -11.166 -17.902 34.051 1.00 74.43 H new ATOM 0 HA ALA A 85 -13.720 -16.700 33.836 1.00 31.44 H new ATOM 0 HB1 ALA A 85 -12.987 -15.737 36.037 1.00 40.54 H new ATOM 0 HB2 ALA A 85 -12.647 -17.482 35.954 1.00 40.54 H new ATOM 0 HB3 ALA A 85 -11.331 -16.306 35.723 1.00 40.54 H new ATOM 1347 N MET A 86 -11.108 -14.753 33.298 1.00 23.31 N ATOM 1348 CA MET A 86 -10.600 -13.537 32.711 1.00 72.32 C ATOM 1349 C MET A 86 -10.942 -13.399 31.239 1.00 54.35 C ATOM 1350 O MET A 86 -11.275 -12.318 30.758 1.00 1.12 O ATOM 1351 CB MET A 86 -9.074 -13.472 32.850 1.00 64.31 C ATOM 1352 CG MET A 86 -8.526 -13.259 34.277 1.00 53.05 C ATOM 1353 SD MET A 86 -8.852 -14.502 35.560 1.00 51.41 S ATOM 1354 CE MET A 86 -7.880 -13.633 36.822 1.00 53.10 C ATOM 0 H MET A 86 -10.355 -15.366 33.610 1.00 23.31 H new ATOM 0 HA MET A 86 -11.079 -12.722 33.254 1.00 72.32 H new ATOM 0 HB2 MET A 86 -8.655 -14.398 32.457 1.00 64.31 H new ATOM 0 HB3 MET A 86 -8.707 -12.663 32.218 1.00 64.31 H new ATOM 0 HG2 MET A 86 -7.445 -13.149 34.198 1.00 53.05 H new ATOM 0 HG3 MET A 86 -8.918 -12.308 34.638 1.00 53.05 H new ATOM 0 HE1 MET A 86 -7.907 -14.197 37.754 1.00 53.10 H new ATOM 0 HE2 MET A 86 -6.848 -13.539 36.485 1.00 53.10 H new ATOM 0 HE3 MET A 86 -8.300 -12.641 36.986 1.00 53.10 H new ATOM 1364 N ALA A 87 -10.854 -14.515 30.489 1.00 33.14 N ATOM 1365 CA ALA A 87 -11.173 -14.585 29.078 1.00 61.21 C ATOM 1366 C ALA A 87 -12.611 -14.190 28.777 1.00 74.24 C ATOM 1367 O ALA A 87 -12.866 -13.377 27.890 1.00 5.24 O ATOM 1368 CB ALA A 87 -10.928 -16.024 28.578 1.00 42.30 C ATOM 0 H ALA A 87 -10.549 -15.409 30.873 1.00 33.14 H new ATOM 0 HA ALA A 87 -10.528 -13.873 28.563 1.00 61.21 H new ATOM 0 HB1 ALA A 87 -11.166 -16.086 27.516 1.00 42.30 H new ATOM 0 HB2 ALA A 87 -9.882 -16.289 28.732 1.00 42.30 H new ATOM 0 HB3 ALA A 87 -11.563 -16.715 29.133 1.00 42.30 H new ATOM 1374 N LYS A 88 -13.579 -14.717 29.562 1.00 22.44 N ATOM 1375 CA LYS A 88 -14.981 -14.352 29.460 1.00 22.35 C ATOM 1376 C LYS A 88 -15.273 -13.003 30.087 1.00 14.45 C ATOM 1377 O LYS A 88 -16.180 -12.299 29.656 1.00 72.30 O ATOM 1378 CB LYS A 88 -15.932 -15.433 30.043 1.00 53.31 C ATOM 1379 CG LYS A 88 -15.842 -15.690 31.557 1.00 74.22 C ATOM 1380 CD LYS A 88 -16.844 -16.751 32.048 1.00 72.10 C ATOM 1381 CE LYS A 88 -18.280 -16.231 32.121 1.00 43.35 C ATOM 1382 NZ LYS A 88 -19.189 -17.323 32.517 1.00 62.31 N ATOM 0 H LYS A 88 -13.391 -15.412 30.285 1.00 22.44 H new ATOM 0 HA LYS A 88 -15.181 -14.281 28.391 1.00 22.35 H new ATOM 0 HB2 LYS A 88 -16.957 -15.147 29.807 1.00 53.31 H new ATOM 0 HB3 LYS A 88 -15.736 -16.373 29.526 1.00 53.31 H new ATOM 0 HG2 LYS A 88 -14.830 -16.011 31.806 1.00 74.22 H new ATOM 0 HG3 LYS A 88 -16.020 -14.756 32.090 1.00 74.22 H new ATOM 0 HD2 LYS A 88 -16.809 -17.612 31.380 1.00 72.10 H new ATOM 0 HD3 LYS A 88 -16.540 -17.100 33.035 1.00 72.10 H new ATOM 0 HE2 LYS A 88 -18.344 -15.414 32.840 1.00 43.35 H new ATOM 0 HE3 LYS A 88 -18.580 -15.829 31.153 1.00 43.35 H new ATOM 0 HZ1 LYS A 88 -20.164 -16.963 32.565 1.00 62.31 H new ATOM 0 HZ2 LYS A 88 -19.137 -18.089 31.816 1.00 62.31 H new ATOM 0 HZ3 LYS A 88 -18.908 -17.687 33.450 1.00 62.31 H new ATOM 1396 N GLN A 89 -14.472 -12.569 31.085 1.00 61.32 N ATOM 1397 CA GLN A 89 -14.524 -11.238 31.652 1.00 64.33 C ATOM 1398 C GLN A 89 -14.258 -10.117 30.676 1.00 72.35 C ATOM 1399 O GLN A 89 -14.991 -9.132 30.699 1.00 10.22 O ATOM 1400 CB GLN A 89 -13.584 -11.106 32.872 1.00 10.33 C ATOM 1401 CG GLN A 89 -13.528 -9.691 33.481 1.00 63.22 C ATOM 1402 CD GLN A 89 -12.950 -9.671 34.895 1.00 64.22 C ATOM 1403 OE1 GLN A 89 -13.596 -9.234 35.849 1.00 72.11 O ATOM 1404 NE2 GLN A 89 -11.691 -10.152 35.038 1.00 75.22 N ATOM 0 H GLN A 89 -13.762 -13.161 31.516 1.00 61.32 H new ATOM 0 HA GLN A 89 -15.561 -11.122 31.967 1.00 64.33 H new ATOM 0 HB2 GLN A 89 -13.906 -11.807 33.642 1.00 10.33 H new ATOM 0 HB3 GLN A 89 -12.578 -11.400 32.574 1.00 10.33 H new ATOM 0 HG2 GLN A 89 -12.925 -9.049 32.839 1.00 63.22 H new ATOM 0 HG3 GLN A 89 -14.533 -9.270 33.499 1.00 63.22 H new ATOM 0 HE21 GLN A 89 -11.185 -10.506 34.226 1.00 75.22 H new ATOM 0 HE22 GLN A 89 -11.249 -10.160 35.957 1.00 75.22 H new ATOM 1413 N LEU A 90 -13.269 -10.206 29.754 1.00 63.24 N ATOM 1414 CA LEU A 90 -13.069 -9.190 28.761 1.00 74.24 C ATOM 1415 C LEU A 90 -14.262 -9.046 27.824 1.00 43.51 C ATOM 1416 O LEU A 90 -14.713 -7.944 27.513 1.00 33.42 O ATOM 1417 CB LEU A 90 -11.783 -9.512 27.978 1.00 44.34 C ATOM 1418 CG LEU A 90 -10.438 -9.435 28.746 1.00 10.01 C ATOM 1419 CD1 LEU A 90 -9.269 -9.679 27.771 1.00 43.31 C ATOM 1420 CD2 LEU A 90 -10.205 -8.139 29.544 1.00 54.43 C ATOM 0 H LEU A 90 -12.610 -10.983 29.700 1.00 63.24 H new ATOM 0 HA LEU A 90 -12.967 -8.229 29.265 1.00 74.24 H new ATOM 0 HB2 LEU A 90 -11.880 -10.518 27.571 1.00 44.34 H new ATOM 0 HB3 LEU A 90 -11.726 -8.829 27.130 1.00 44.34 H new ATOM 0 HG LEU A 90 -10.490 -10.220 29.501 1.00 10.01 H new ATOM 0 HD11 LEU A 90 -8.325 -9.624 28.314 1.00 43.31 H new ATOM 0 HD12 LEU A 90 -9.371 -10.666 27.320 1.00 43.31 H new ATOM 0 HD13 LEU A 90 -9.283 -8.920 26.989 1.00 43.31 H new ATOM 0 HD21 LEU A 90 -9.237 -8.188 30.043 1.00 54.43 H new ATOM 0 HD22 LEU A 90 -10.221 -7.286 28.865 1.00 54.43 H new ATOM 0 HD23 LEU A 90 -10.992 -8.024 30.290 1.00 54.43 H new ATOM 1432 N LEU A 91 -14.852 -10.180 27.409 1.00 62.20 N ATOM 1433 CA LEU A 91 -16.083 -10.215 26.648 1.00 54.44 C ATOM 1434 C LEU A 91 -17.268 -9.650 27.453 1.00 11.30 C ATOM 1435 O LEU A 91 -18.081 -8.891 26.930 1.00 35.43 O ATOM 1436 CB LEU A 91 -16.306 -11.675 26.170 1.00 30.42 C ATOM 1437 CG LEU A 91 -15.258 -12.146 25.126 1.00 63.14 C ATOM 1438 CD1 LEU A 91 -14.985 -13.652 25.202 1.00 44.00 C ATOM 1439 CD2 LEU A 91 -15.714 -11.816 23.703 1.00 42.43 C ATOM 0 H LEU A 91 -14.470 -11.105 27.603 1.00 62.20 H new ATOM 0 HA LEU A 91 -16.009 -9.567 25.775 1.00 54.44 H new ATOM 0 HB2 LEU A 91 -16.274 -12.341 27.032 1.00 30.42 H new ATOM 0 HB3 LEU A 91 -17.303 -11.760 25.738 1.00 30.42 H new ATOM 0 HG LEU A 91 -14.340 -11.610 25.366 1.00 63.14 H new ATOM 0 HD11 LEU A 91 -14.245 -13.926 24.450 1.00 44.00 H new ATOM 0 HD12 LEU A 91 -14.606 -13.904 26.193 1.00 44.00 H new ATOM 0 HD13 LEU A 91 -15.910 -14.199 25.017 1.00 44.00 H new ATOM 0 HD21 LEU A 91 -14.962 -12.157 22.992 1.00 42.43 H new ATOM 0 HD22 LEU A 91 -16.660 -12.317 23.499 1.00 42.43 H new ATOM 0 HD23 LEU A 91 -15.846 -10.739 23.604 1.00 42.43 H new ATOM 1451 N ASP A 92 -17.368 -9.967 28.771 1.00 0.12 N ATOM 1452 CA ASP A 92 -18.375 -9.450 29.687 1.00 11.01 C ATOM 1453 C ASP A 92 -18.258 -7.937 29.900 1.00 4.12 C ATOM 1454 O ASP A 92 -19.269 -7.241 29.880 1.00 23.32 O ATOM 1455 CB ASP A 92 -18.296 -10.215 31.041 1.00 2.24 C ATOM 1456 CG ASP A 92 -19.448 -9.894 31.992 1.00 50.14 C ATOM 1457 OD1 ASP A 92 -20.615 -10.167 31.611 1.00 32.12 O ATOM 1458 OD2 ASP A 92 -19.162 -9.390 33.108 1.00 3.15 O ATOM 0 H ASP A 92 -16.720 -10.612 29.223 1.00 0.12 H new ATOM 0 HA ASP A 92 -19.352 -9.618 29.234 1.00 11.01 H new ATOM 0 HB2 ASP A 92 -18.287 -11.287 30.843 1.00 2.24 H new ATOM 0 HB3 ASP A 92 -17.353 -9.973 31.531 1.00 2.24 H new ATOM 1463 N ILE A 93 -17.024 -7.386 30.065 1.00 13.15 N ATOM 1464 CA ILE A 93 -16.765 -5.948 30.202 1.00 62.34 C ATOM 1465 C ILE A 93 -17.257 -5.215 28.983 1.00 50.23 C ATOM 1466 O ILE A 93 -17.923 -4.191 29.109 1.00 34.42 O ATOM 1467 CB ILE A 93 -15.284 -5.580 30.350 1.00 3.44 C ATOM 1468 CG1 ILE A 93 -14.670 -6.023 31.696 1.00 60.10 C ATOM 1469 CG2 ILE A 93 -15.046 -4.058 30.174 1.00 41.42 C ATOM 1470 CD1 ILE A 93 -13.130 -5.964 31.736 1.00 40.40 C ATOM 0 H ILE A 93 -16.175 -7.949 30.106 1.00 13.15 H new ATOM 0 HA ILE A 93 -17.288 -5.662 31.114 1.00 62.34 H new ATOM 0 HB ILE A 93 -14.784 -6.129 29.552 1.00 3.44 H new ATOM 0 HG12 ILE A 93 -15.068 -5.391 32.490 1.00 60.10 H new ATOM 0 HG13 ILE A 93 -14.989 -7.043 31.910 1.00 60.10 H new ATOM 0 HG21 ILE A 93 -13.984 -3.840 30.286 1.00 41.42 H new ATOM 0 HG22 ILE A 93 -15.376 -3.750 29.182 1.00 41.42 H new ATOM 0 HG23 ILE A 93 -15.610 -3.512 30.930 1.00 41.42 H new ATOM 0 HD11 ILE A 93 -12.779 -6.291 32.715 1.00 40.40 H new ATOM 0 HD12 ILE A 93 -12.721 -6.619 30.967 1.00 40.40 H new ATOM 0 HD13 ILE A 93 -12.800 -4.941 31.555 1.00 40.40 H new ATOM 1482 N LYS A 94 -16.975 -5.743 27.768 1.00 44.05 N ATOM 1483 CA LYS A 94 -17.377 -5.105 26.535 1.00 31.01 C ATOM 1484 C LYS A 94 -18.859 -4.898 26.470 1.00 74.20 C ATOM 1485 O LYS A 94 -19.336 -3.772 26.421 1.00 13.43 O ATOM 1486 CB LYS A 94 -16.983 -6.007 25.330 1.00 63.22 C ATOM 1487 CG LYS A 94 -17.551 -5.507 23.998 1.00 41.21 C ATOM 1488 CD LYS A 94 -17.328 -6.382 22.761 1.00 12.41 C ATOM 1489 CE LYS A 94 -18.314 -5.866 21.723 1.00 51.44 C ATOM 1490 NZ LYS A 94 -17.993 -6.302 20.358 1.00 3.13 N ATOM 0 H LYS A 94 -16.466 -6.617 27.637 1.00 44.05 H new ATOM 0 HA LYS A 94 -16.875 -4.138 26.496 1.00 31.01 H new ATOM 0 HB2 LYS A 94 -15.896 -6.056 25.260 1.00 63.22 H new ATOM 0 HB3 LYS A 94 -17.337 -7.022 25.512 1.00 63.22 H new ATOM 0 HG2 LYS A 94 -18.625 -5.367 24.122 1.00 41.21 H new ATOM 0 HG3 LYS A 94 -17.123 -4.525 23.797 1.00 41.21 H new ATOM 0 HD2 LYS A 94 -16.302 -6.303 22.403 1.00 12.41 H new ATOM 0 HD3 LYS A 94 -17.507 -7.434 22.985 1.00 12.41 H new ATOM 0 HE2 LYS A 94 -19.316 -6.208 21.981 1.00 51.44 H new ATOM 0 HE3 LYS A 94 -18.330 -4.777 21.756 1.00 51.44 H new ATOM 0 HZ1 LYS A 94 -18.796 -6.097 19.730 1.00 3.13 H new ATOM 0 HZ2 LYS A 94 -17.151 -5.794 20.020 1.00 3.13 H new ATOM 0 HZ3 LYS A 94 -17.804 -7.325 20.356 1.00 3.13 H new ATOM 1504 N HIS A 95 -19.637 -5.978 26.583 1.00 13.52 N ATOM 1505 CA HIS A 95 -21.063 -5.949 26.427 1.00 51.44 C ATOM 1506 C HIS A 95 -21.720 -5.189 27.559 1.00 10.12 C ATOM 1507 O HIS A 95 -22.751 -4.553 27.363 1.00 60.41 O ATOM 1508 CB HIS A 95 -21.595 -7.383 26.304 1.00 22.33 C ATOM 1509 CG HIS A 95 -21.175 -8.013 25.000 1.00 53.01 C ATOM 1510 ND1 HIS A 95 -21.640 -7.535 23.806 1.00 53.10 N ATOM 1511 CD2 HIS A 95 -20.256 -8.963 24.707 1.00 34.11 C ATOM 1512 CE1 HIS A 95 -21.029 -8.167 22.825 1.00 24.02 C ATOM 1513 NE2 HIS A 95 -20.180 -9.031 23.342 1.00 4.53 N ATOM 0 H HIS A 95 -19.270 -6.907 26.790 1.00 13.52 H new ATOM 0 HA HIS A 95 -21.314 -5.415 25.511 1.00 51.44 H new ATOM 0 HB2 HIS A 95 -21.226 -7.983 27.136 1.00 22.33 H new ATOM 0 HB3 HIS A 95 -22.683 -7.377 26.374 1.00 22.33 H new ATOM 0 HD1 HIS A 95 -22.346 -6.807 23.693 1.00 53.10 H new ATOM 0 HD2 HIS A 95 -19.692 -9.553 25.414 1.00 34.11 H new ATOM 0 HE1 HIS A 95 -21.197 -8.004 21.771 1.00 24.02 H new ATOM 0 HE2 HIS A 95 -19.566 -9.650 22.812 1.00 4.53 H new ATOM 1522 N SER A 96 -21.100 -5.198 28.767 1.00 15.33 N ATOM 1523 CA SER A 96 -21.544 -4.385 29.895 1.00 41.14 C ATOM 1524 C SER A 96 -21.368 -2.893 29.626 1.00 14.13 C ATOM 1525 O SER A 96 -22.246 -2.070 29.873 1.00 21.40 O ATOM 1526 CB SER A 96 -20.762 -4.792 31.161 1.00 44.25 C ATOM 1527 OG SER A 96 -21.227 -4.137 32.340 1.00 61.14 O ATOM 0 H SER A 96 -20.282 -5.772 28.971 1.00 15.33 H new ATOM 0 HA SER A 96 -22.609 -4.565 30.043 1.00 41.14 H new ATOM 0 HB2 SER A 96 -20.839 -5.871 31.297 1.00 44.25 H new ATOM 0 HB3 SER A 96 -19.706 -4.563 31.018 1.00 44.25 H new ATOM 0 HG SER A 96 -20.697 -4.434 33.109 1.00 61.14 H new ATOM 1533 N CYS A 97 -20.206 -2.516 29.053 1.00 62.20 N ATOM 1534 CA CYS A 97 -19.885 -1.170 28.625 1.00 45.12 C ATOM 1535 C CYS A 97 -20.716 -0.645 27.480 1.00 20.30 C ATOM 1536 O CYS A 97 -20.971 0.551 27.403 1.00 10.35 O ATOM 1537 CB CYS A 97 -18.384 -0.997 28.294 1.00 30.43 C ATOM 1538 SG CYS A 97 -17.307 -0.640 29.706 1.00 32.00 S ATOM 0 H CYS A 97 -19.449 -3.177 28.877 1.00 62.20 H new ATOM 0 HA CYS A 97 -20.140 -0.566 29.496 1.00 45.12 H new ATOM 0 HB2 CYS A 97 -18.030 -1.908 27.811 1.00 30.43 H new ATOM 0 HB3 CYS A 97 -18.281 -0.190 27.568 1.00 30.43 H new ATOM 1543 N GLU A 98 -21.197 -1.519 26.572 1.00 11.33 N ATOM 1544 CA GLU A 98 -21.975 -1.152 25.393 1.00 20.43 C ATOM 1545 C GLU A 98 -23.274 -0.470 25.788 1.00 42.43 C ATOM 1546 O GLU A 98 -23.828 0.341 25.055 1.00 12.34 O ATOM 1547 CB GLU A 98 -22.375 -2.371 24.524 1.00 34.40 C ATOM 1548 CG GLU A 98 -21.194 -3.152 23.918 1.00 25.10 C ATOM 1549 CD GLU A 98 -21.667 -4.121 22.840 1.00 63.35 C ATOM 1550 OE1 GLU A 98 -22.459 -5.042 23.185 1.00 22.41 O ATOM 1551 OE2 GLU A 98 -21.249 -3.951 21.667 1.00 14.41 O ATOM 0 H GLU A 98 -21.045 -2.525 26.650 1.00 11.33 H new ATOM 0 HA GLU A 98 -21.323 -0.490 24.823 1.00 20.43 H new ATOM 0 HB2 GLU A 98 -22.969 -3.053 25.133 1.00 34.40 H new ATOM 0 HB3 GLU A 98 -23.017 -2.026 23.714 1.00 34.40 H new ATOM 0 HG2 GLU A 98 -20.474 -2.454 23.492 1.00 25.10 H new ATOM 0 HG3 GLU A 98 -20.678 -3.703 24.704 1.00 25.10 H new ATOM 1558 N LYS A 99 -23.777 -0.837 26.979 1.00 71.45 N ATOM 1559 CA LYS A 99 -25.013 -0.395 27.573 1.00 73.52 C ATOM 1560 C LYS A 99 -24.852 1.024 28.080 1.00 71.32 C ATOM 1561 O LYS A 99 -25.755 1.850 27.970 1.00 3.41 O ATOM 1562 CB LYS A 99 -25.334 -1.295 28.791 1.00 52.11 C ATOM 1563 CG LYS A 99 -25.517 -2.787 28.463 1.00 2.31 C ATOM 1564 CD LYS A 99 -25.409 -3.663 29.728 1.00 65.24 C ATOM 1565 CE LYS A 99 -26.737 -3.852 30.456 1.00 2.13 C ATOM 1566 NZ LYS A 99 -26.535 -4.694 31.651 1.00 61.22 N ATOM 0 H LYS A 99 -23.283 -1.497 27.580 1.00 71.45 H new ATOM 0 HA LYS A 99 -25.808 -0.446 26.829 1.00 73.52 H new ATOM 0 HB2 LYS A 99 -24.531 -1.194 29.521 1.00 52.11 H new ATOM 0 HB3 LYS A 99 -26.244 -0.928 29.266 1.00 52.11 H new ATOM 0 HG2 LYS A 99 -26.489 -2.941 27.995 1.00 2.31 H new ATOM 0 HG3 LYS A 99 -24.763 -3.096 27.740 1.00 2.31 H new ATOM 0 HD2 LYS A 99 -25.014 -4.640 29.450 1.00 65.24 H new ATOM 0 HD3 LYS A 99 -24.690 -3.212 30.412 1.00 65.24 H new ATOM 0 HE2 LYS A 99 -27.144 -2.884 30.747 1.00 2.13 H new ATOM 0 HE3 LYS A 99 -27.464 -4.317 29.791 1.00 2.13 H new ATOM 0 HZ1 LYS A 99 -27.442 -4.820 32.144 1.00 61.22 H new ATOM 0 HZ2 LYS A 99 -26.165 -5.622 31.363 1.00 61.22 H new ATOM 0 HZ3 LYS A 99 -25.855 -4.233 32.289 1.00 61.22 H new ATOM 1580 N VAL A 100 -23.686 1.301 28.717 1.00 22.32 N ATOM 1581 CA VAL A 100 -23.465 2.520 29.472 1.00 43.43 C ATOM 1582 C VAL A 100 -22.968 3.645 28.588 1.00 15.32 C ATOM 1583 O VAL A 100 -23.253 4.818 28.828 1.00 3.33 O ATOM 1584 CB VAL A 100 -22.524 2.337 30.669 1.00 3.41 C ATOM 1585 CG1 VAL A 100 -23.123 1.247 31.574 1.00 73.24 C ATOM 1586 CG2 VAL A 100 -21.078 2.003 30.280 1.00 33.04 C ATOM 0 H VAL A 100 -22.883 0.672 28.710 1.00 22.32 H new ATOM 0 HA VAL A 100 -24.443 2.788 29.873 1.00 43.43 H new ATOM 0 HB VAL A 100 -22.453 3.289 31.195 1.00 3.41 H new ATOM 0 HG11 VAL A 100 -22.475 1.093 32.437 1.00 73.24 H new ATOM 0 HG12 VAL A 100 -24.111 1.558 31.913 1.00 73.24 H new ATOM 0 HG13 VAL A 100 -23.209 0.316 31.014 1.00 73.24 H new ATOM 0 HG21 VAL A 100 -20.476 1.889 31.181 1.00 33.04 H new ATOM 0 HG22 VAL A 100 -21.060 1.073 29.711 1.00 33.04 H new ATOM 0 HG23 VAL A 100 -20.670 2.809 29.670 1.00 33.04 H new ATOM 1596 N ILE A 101 -22.198 3.301 27.533 1.00 1.23 N ATOM 1597 CA ILE A 101 -21.683 4.259 26.570 1.00 64.41 C ATOM 1598 C ILE A 101 -22.732 4.814 25.624 1.00 3.53 C ATOM 1599 O ILE A 101 -23.770 4.214 25.354 1.00 64.20 O ATOM 1600 CB ILE A 101 -20.538 3.722 25.727 1.00 60.11 C ATOM 1601 CG1 ILE A 101 -20.925 2.486 24.883 1.00 34.52 C ATOM 1602 CG2 ILE A 101 -19.318 3.442 26.627 1.00 54.40 C ATOM 1603 CD1 ILE A 101 -20.433 2.579 23.443 1.00 61.14 C ATOM 0 H ILE A 101 -21.922 2.339 27.337 1.00 1.23 H new ATOM 0 HA ILE A 101 -21.320 5.063 27.210 1.00 64.41 H new ATOM 0 HB ILE A 101 -20.278 4.492 25.001 1.00 60.11 H new ATOM 0 HG12 ILE A 101 -20.511 1.591 25.347 1.00 34.52 H new ATOM 0 HG13 ILE A 101 -22.009 2.374 24.886 1.00 34.52 H new ATOM 0 HG21 ILE A 101 -18.499 3.057 26.020 1.00 54.40 H new ATOM 0 HG22 ILE A 101 -19.006 4.366 27.114 1.00 54.40 H new ATOM 0 HG23 ILE A 101 -19.586 2.705 27.384 1.00 54.40 H new ATOM 0 HD11 ILE A 101 -20.733 1.684 22.897 1.00 61.14 H new ATOM 0 HD12 ILE A 101 -20.867 3.458 22.966 1.00 61.14 H new ATOM 0 HD13 ILE A 101 -19.346 2.662 23.434 1.00 61.14 H new ATOM 1615 N THR A 102 -22.452 6.010 25.052 1.00 3.42 N ATOM 1616 CA THR A 102 -23.197 6.494 23.898 1.00 5.05 C ATOM 1617 C THR A 102 -22.912 5.682 22.654 1.00 44.33 C ATOM 1618 O THR A 102 -21.770 5.538 22.217 1.00 11.12 O ATOM 1619 CB THR A 102 -22.984 7.976 23.604 1.00 12.32 C ATOM 1620 OG1 THR A 102 -23.463 8.766 24.684 1.00 40.11 O ATOM 1621 CG2 THR A 102 -23.683 8.438 22.306 1.00 72.41 C ATOM 0 H THR A 102 -21.720 6.641 25.378 1.00 3.42 H new ATOM 0 HA THR A 102 -24.243 6.367 24.176 1.00 5.05 H new ATOM 0 HB THR A 102 -21.910 8.111 23.474 1.00 12.32 H new ATOM 0 HG1 THR A 102 -23.319 9.715 24.484 1.00 40.11 H new ATOM 0 HG21 THR A 102 -23.496 9.500 22.150 1.00 72.41 H new ATOM 0 HG22 THR A 102 -23.291 7.872 21.461 1.00 72.41 H new ATOM 0 HG23 THR A 102 -24.756 8.268 22.390 1.00 72.41 H new ATOM 1629 N ILE A 103 -24.009 5.185 22.050 1.00 51.31 N ATOM 1630 CA ILE A 103 -24.113 4.456 20.825 1.00 14.43 C ATOM 1631 C ILE A 103 -24.732 5.435 19.893 1.00 32.12 C ATOM 1632 O ILE A 103 -25.721 6.092 20.221 1.00 63.22 O ATOM 1633 CB ILE A 103 -25.012 3.233 20.878 1.00 21.05 C ATOM 1634 CG1 ILE A 103 -24.457 2.232 21.914 1.00 50.13 C ATOM 1635 CG2 ILE A 103 -25.266 2.639 19.460 1.00 1.04 C ATOM 1636 CD1 ILE A 103 -25.278 0.953 21.997 1.00 2.32 C ATOM 0 H ILE A 103 -24.928 5.312 22.475 1.00 51.31 H new ATOM 0 HA ILE A 103 -23.131 4.074 20.547 1.00 14.43 H new ATOM 0 HB ILE A 103 -26.006 3.516 21.223 1.00 21.05 H new ATOM 0 HG12 ILE A 103 -23.428 1.982 21.656 1.00 50.13 H new ATOM 0 HG13 ILE A 103 -24.433 2.707 22.895 1.00 50.13 H new ATOM 0 HG21 ILE A 103 -25.913 1.766 19.542 1.00 1.04 H new ATOM 0 HG22 ILE A 103 -25.746 3.389 18.832 1.00 1.04 H new ATOM 0 HG23 ILE A 103 -24.316 2.346 19.013 1.00 1.04 H new ATOM 0 HD11 ILE A 103 -24.841 0.288 22.741 1.00 2.32 H new ATOM 0 HD12 ILE A 103 -26.301 1.195 22.284 1.00 2.32 H new ATOM 0 HD13 ILE A 103 -25.281 0.459 21.025 1.00 2.32 H new ATOM 1648 N VAL A 104 -24.149 5.557 18.702 1.00 42.34 N ATOM 1649 CA VAL A 104 -24.682 6.429 17.705 1.00 34.41 C ATOM 1650 C VAL A 104 -25.166 5.536 16.588 1.00 23.10 C ATOM 1651 O VAL A 104 -24.434 4.696 16.069 1.00 70.12 O ATOM 1652 CB VAL A 104 -23.654 7.336 17.131 1.00 44.22 C ATOM 1653 CG1 VAL A 104 -24.230 8.343 16.182 1.00 62.25 C ATOM 1654 CG2 VAL A 104 -22.770 8.033 18.156 1.00 72.40 C ATOM 0 H VAL A 104 -23.307 5.054 18.421 1.00 42.34 H new ATOM 0 HA VAL A 104 -25.460 7.048 18.152 1.00 34.41 H new ATOM 0 HB VAL A 104 -23.007 6.658 16.574 1.00 44.22 H new ATOM 0 HG11 VAL A 104 -23.432 8.977 15.795 1.00 62.25 H new ATOM 0 HG12 VAL A 104 -24.716 7.826 15.354 1.00 62.25 H new ATOM 0 HG13 VAL A 104 -24.961 8.959 16.705 1.00 62.25 H new ATOM 0 HG21 VAL A 104 -22.052 8.673 17.642 1.00 72.40 H new ATOM 0 HG22 VAL A 104 -23.389 8.640 18.817 1.00 72.40 H new ATOM 0 HG23 VAL A 104 -22.236 7.286 18.743 1.00 72.40 H new ATOM 1664 N ALA A 105 -26.421 5.731 16.171 1.00 5.45 N ATOM 1665 CA ALA A 105 -26.987 5.096 15.002 1.00 13.12 C ATOM 1666 C ALA A 105 -26.316 5.485 13.692 1.00 23.43 C ATOM 1667 O ALA A 105 -25.999 4.643 12.856 1.00 3.32 O ATOM 1668 CB ALA A 105 -28.485 5.428 14.903 1.00 60.45 C ATOM 0 H ALA A 105 -27.075 6.348 16.653 1.00 5.45 H new ATOM 0 HA ALA A 105 -26.820 4.027 15.138 1.00 13.12 H new ATOM 0 HB1 ALA A 105 -28.907 4.947 14.020 1.00 60.45 H new ATOM 0 HB2 ALA A 105 -28.998 5.065 15.794 1.00 60.45 H new ATOM 0 HB3 ALA A 105 -28.614 6.507 14.825 1.00 60.45 H new ATOM 1674 N ASP A 106 -26.072 6.799 13.510 1.00 42.53 N ATOM 1675 CA ASP A 106 -25.380 7.377 12.376 1.00 21.33 C ATOM 1676 C ASP A 106 -23.918 6.960 12.254 1.00 21.12 C ATOM 1677 O ASP A 106 -23.400 6.810 11.151 1.00 13.24 O ATOM 1678 CB ASP A 106 -25.464 8.930 12.407 1.00 64.04 C ATOM 1679 CG ASP A 106 -26.868 9.458 12.114 1.00 74.12 C ATOM 1680 OD1 ASP A 106 -27.722 8.689 11.605 1.00 22.14 O ATOM 1681 OD2 ASP A 106 -27.085 10.663 12.404 1.00 4.35 O ATOM 0 H ASP A 106 -26.371 7.502 14.186 1.00 42.53 H new ATOM 0 HA ASP A 106 -25.897 6.982 11.501 1.00 21.33 H new ATOM 0 HB2 ASP A 106 -25.145 9.286 13.387 1.00 64.04 H new ATOM 0 HB3 ASP A 106 -24.767 9.341 11.676 1.00 64.04 H new ATOM 1686 N ASP A 107 -23.206 6.846 13.393 1.00 13.23 N ATOM 1687 CA ASP A 107 -21.761 6.828 13.415 1.00 11.53 C ATOM 1688 C ASP A 107 -21.282 5.616 14.215 1.00 51.42 C ATOM 1689 O ASP A 107 -21.203 5.731 15.437 1.00 54.32 O ATOM 1690 CB ASP A 107 -21.236 8.136 14.075 1.00 4.54 C ATOM 1691 CG ASP A 107 -19.731 8.291 13.925 1.00 1.23 C ATOM 1692 OD1 ASP A 107 -19.265 8.421 12.766 1.00 63.24 O ATOM 1693 OD2 ASP A 107 -19.032 8.231 14.970 1.00 20.42 O ATOM 0 H ASP A 107 -23.633 6.765 14.316 1.00 13.23 H new ATOM 0 HA ASP A 107 -21.379 6.762 12.396 1.00 11.53 H new ATOM 0 HB2 ASP A 107 -21.735 8.994 13.624 1.00 4.54 H new ATOM 0 HB3 ASP A 107 -21.496 8.136 15.134 1.00 4.54 H new ATOM 1698 N PRO A 108 -20.887 4.475 13.663 1.00 74.45 N ATOM 1699 CA PRO A 108 -20.405 3.343 14.456 1.00 65.44 C ATOM 1700 C PRO A 108 -19.067 3.617 15.125 1.00 44.22 C ATOM 1701 O PRO A 108 -18.648 2.841 15.983 1.00 44.14 O ATOM 1702 CB PRO A 108 -20.305 2.206 13.427 1.00 3.24 C ATOM 1703 CG PRO A 108 -20.051 2.920 12.095 1.00 43.14 C ATOM 1704 CD PRO A 108 -20.908 4.179 12.227 1.00 53.23 C ATOM 0 HA PRO A 108 -21.069 3.112 15.289 1.00 65.44 H new ATOM 0 HB2 PRO A 108 -19.494 1.519 13.671 1.00 3.24 H new ATOM 0 HB3 PRO A 108 -21.222 1.618 13.394 1.00 3.24 H new ATOM 0 HG2 PRO A 108 -18.997 3.159 11.957 1.00 43.14 H new ATOM 0 HG3 PRO A 108 -20.353 2.310 11.243 1.00 43.14 H new ATOM 0 HD2 PRO A 108 -20.498 5.004 11.644 1.00 53.23 H new ATOM 0 HD3 PRO A 108 -21.924 4.010 11.869 1.00 53.23 H new ATOM 1712 N CYS A 109 -18.359 4.691 14.722 1.00 44.31 N ATOM 1713 CA CYS A 109 -17.031 5.015 15.176 1.00 52.14 C ATOM 1714 C CYS A 109 -17.050 5.503 16.619 1.00 41.24 C ATOM 1715 O CYS A 109 -16.271 5.042 17.449 1.00 3.54 O ATOM 1716 CB CYS A 109 -16.409 6.068 14.231 1.00 41.44 C ATOM 1717 SG CYS A 109 -16.349 5.466 12.507 1.00 25.30 S ATOM 0 H CYS A 109 -18.725 5.365 14.050 1.00 44.31 H new ATOM 0 HA CYS A 109 -16.415 4.116 15.152 1.00 52.14 H new ATOM 0 HB2 CYS A 109 -16.991 6.988 14.276 1.00 41.44 H new ATOM 0 HB3 CYS A 109 -15.401 6.311 14.568 1.00 41.44 H new ATOM 1722 N GLN A 110 -18.007 6.397 16.981 1.00 60.43 N ATOM 1723 CA GLN A 110 -18.247 6.829 18.353 1.00 64.25 C ATOM 1724 C GLN A 110 -18.641 5.680 19.240 1.00 74.14 C ATOM 1725 O GLN A 110 -18.066 5.513 20.308 1.00 12.21 O ATOM 1726 CB GLN A 110 -19.357 7.915 18.429 1.00 43.15 C ATOM 1727 CG GLN A 110 -18.913 9.258 19.057 1.00 63.12 C ATOM 1728 CD GLN A 110 -18.262 10.163 18.016 1.00 43.42 C ATOM 1729 OE1 GLN A 110 -17.307 9.575 17.258 1.00 41.54 O flip ATOM 1730 NE2 GLN A 110 -18.625 11.328 17.848 1.00 60.42 N flip ATOM 0 H GLN A 110 -18.634 6.835 16.306 1.00 60.43 H new ATOM 0 HA GLN A 110 -17.304 7.249 18.704 1.00 64.25 H new ATOM 0 HB2 GLN A 110 -19.727 8.106 17.422 1.00 43.15 H new ATOM 0 HB3 GLN A 110 -20.193 7.520 19.006 1.00 43.15 H new ATOM 0 HG2 GLN A 110 -19.776 9.762 19.493 1.00 63.12 H new ATOM 0 HG3 GLN A 110 -18.211 9.069 19.869 1.00 63.12 H new ATOM 0 HE21 GLN A 110 -19.349 11.728 18.445 1.00 60.42 H new ATOM 0 HE22 GLN A 110 -18.202 11.893 17.112 1.00 60.42 H new ATOM 1739 N THR A 111 -19.557 4.805 18.765 1.00 42.05 N ATOM 1740 CA THR A 111 -19.962 3.585 19.466 1.00 55.42 C ATOM 1741 C THR A 111 -18.751 2.716 19.793 1.00 42.32 C ATOM 1742 O THR A 111 -18.586 2.281 20.929 1.00 55.35 O ATOM 1743 CB THR A 111 -20.906 2.749 18.602 1.00 63.12 C ATOM 1744 OG1 THR A 111 -22.056 3.511 18.253 1.00 52.05 O ATOM 1745 CG2 THR A 111 -21.381 1.438 19.269 1.00 23.55 C ATOM 0 H THR A 111 -20.035 4.936 17.874 1.00 42.05 H new ATOM 0 HA THR A 111 -20.462 3.898 20.383 1.00 55.42 H new ATOM 0 HB THR A 111 -20.323 2.475 17.723 1.00 63.12 H new ATOM 0 HG1 THR A 111 -22.653 2.967 17.698 1.00 52.05 H new ATOM 0 HG21 THR A 111 -22.047 0.905 18.590 1.00 23.55 H new ATOM 0 HG22 THR A 111 -20.518 0.812 19.497 1.00 23.55 H new ATOM 0 HG23 THR A 111 -21.914 1.671 20.191 1.00 23.55 H new ATOM 1753 N MET A 112 -17.839 2.474 18.825 1.00 13.54 N ATOM 1754 CA MET A 112 -16.652 1.678 19.059 1.00 72.35 C ATOM 1755 C MET A 112 -15.619 2.338 19.969 1.00 53.40 C ATOM 1756 O MET A 112 -15.118 1.725 20.907 1.00 74.40 O ATOM 1757 CB MET A 112 -15.971 1.330 17.716 1.00 45.52 C ATOM 1758 CG MET A 112 -14.904 0.230 17.855 1.00 21.23 C ATOM 1759 SD MET A 112 -15.602 -1.358 18.415 1.00 15.22 S ATOM 1760 CE MET A 112 -14.049 -2.167 18.890 1.00 21.41 C ATOM 0 H MET A 112 -17.920 2.830 17.872 1.00 13.54 H new ATOM 0 HA MET A 112 -17.004 0.783 19.573 1.00 72.35 H new ATOM 0 HB2 MET A 112 -16.729 1.006 17.003 1.00 45.52 H new ATOM 0 HB3 MET A 112 -15.509 2.228 17.305 1.00 45.52 H new ATOM 0 HG2 MET A 112 -14.409 0.086 16.895 1.00 21.23 H new ATOM 0 HG3 MET A 112 -14.141 0.556 18.562 1.00 21.23 H new ATOM 0 HE1 MET A 112 -14.263 -3.000 19.560 1.00 21.41 H new ATOM 0 HE2 MET A 112 -13.545 -2.539 17.998 1.00 21.41 H new ATOM 0 HE3 MET A 112 -13.405 -1.449 19.398 1.00 21.41 H new ATOM 1770 N LEU A 113 -15.282 3.624 19.722 1.00 23.11 N ATOM 1771 CA LEU A 113 -14.297 4.388 20.485 1.00 14.41 C ATOM 1772 C LEU A 113 -14.732 4.630 21.909 1.00 3.12 C ATOM 1773 O LEU A 113 -13.968 4.394 22.845 1.00 45.54 O ATOM 1774 CB LEU A 113 -14.049 5.708 19.734 1.00 74.41 C ATOM 1775 CG LEU A 113 -12.837 6.628 20.039 1.00 1.11 C ATOM 1776 CD1 LEU A 113 -13.172 8.100 19.715 1.00 22.30 C ATOM 1777 CD2 LEU A 113 -12.029 6.453 21.331 1.00 10.34 C ATOM 0 H LEU A 113 -15.704 4.163 18.966 1.00 23.11 H new ATOM 0 HA LEU A 113 -13.372 3.816 20.561 1.00 14.41 H new ATOM 0 HB2 LEU A 113 -13.991 5.458 18.675 1.00 74.41 H new ATOM 0 HB3 LEU A 113 -14.943 6.316 19.869 1.00 74.41 H new ATOM 0 HG LEU A 113 -12.090 6.237 19.348 1.00 1.11 H new ATOM 0 HD11 LEU A 113 -12.308 8.727 19.936 1.00 22.30 H new ATOM 0 HD12 LEU A 113 -13.426 8.191 18.659 1.00 22.30 H new ATOM 0 HD13 LEU A 113 -14.019 8.422 20.321 1.00 22.30 H new ATOM 0 HD21 LEU A 113 -11.225 7.189 21.360 1.00 10.34 H new ATOM 0 HD22 LEU A 113 -12.683 6.596 22.191 1.00 10.34 H new ATOM 0 HD23 LEU A 113 -11.604 5.450 21.361 1.00 10.34 H new ATOM 1789 N ASN A 114 -16.014 5.028 22.106 1.00 31.41 N ATOM 1790 CA ASN A 114 -16.606 5.247 23.421 1.00 32.54 C ATOM 1791 C ASN A 114 -16.601 3.945 24.200 1.00 33.02 C ATOM 1792 O ASN A 114 -16.289 3.917 25.389 1.00 15.33 O ATOM 1793 CB ASN A 114 -18.083 5.730 23.399 1.00 64.24 C ATOM 1794 CG ASN A 114 -18.227 7.154 22.865 1.00 45.41 C ATOM 1795 OD1 ASN A 114 -17.309 7.975 22.884 1.00 21.21 O ATOM 1796 ND2 ASN A 114 -19.458 7.460 22.373 1.00 62.10 N ATOM 0 H ASN A 114 -16.661 5.204 21.338 1.00 31.41 H new ATOM 0 HA ASN A 114 -15.998 6.031 23.873 1.00 32.54 H new ATOM 0 HB2 ASN A 114 -18.674 5.053 22.782 1.00 64.24 H new ATOM 0 HB3 ASN A 114 -18.493 5.681 24.408 1.00 64.24 H new ATOM 0 HD21 ASN A 114 -19.643 8.393 22.005 1.00 62.10 H new ATOM 0 HD22 ASN A 114 -20.196 6.756 22.372 1.00 62.10 H new ATOM 1803 N LEU A 115 -16.919 2.813 23.527 1.00 0.12 N ATOM 1804 CA LEU A 115 -16.833 1.501 24.123 1.00 33.40 C ATOM 1805 C LEU A 115 -15.436 1.137 24.513 1.00 61.12 C ATOM 1806 O LEU A 115 -15.194 0.668 25.617 1.00 51.34 O ATOM 1807 CB LEU A 115 -17.340 0.411 23.159 1.00 64.55 C ATOM 1808 CG LEU A 115 -17.280 -1.027 23.705 1.00 53.14 C ATOM 1809 CD1 LEU A 115 -15.936 -1.745 23.535 1.00 32.21 C ATOM 1810 CD2 LEU A 115 -17.866 -1.138 25.105 1.00 44.43 C ATOM 0 H LEU A 115 -17.239 2.807 22.559 1.00 0.12 H new ATOM 0 HA LEU A 115 -17.458 1.549 25.014 1.00 33.40 H new ATOM 0 HB2 LEU A 115 -18.372 0.638 22.890 1.00 64.55 H new ATOM 0 HB3 LEU A 115 -16.754 0.459 22.241 1.00 64.55 H new ATOM 0 HG LEU A 115 -17.936 -1.596 23.046 1.00 53.14 H new ATOM 0 HD11 LEU A 115 -16.004 -2.749 23.953 1.00 32.21 H new ATOM 0 HD12 LEU A 115 -15.689 -1.810 22.475 1.00 32.21 H new ATOM 0 HD13 LEU A 115 -15.157 -1.187 24.055 1.00 32.21 H new ATOM 0 HD21 LEU A 115 -17.801 -2.171 25.446 1.00 44.43 H new ATOM 0 HD22 LEU A 115 -17.307 -0.495 25.785 1.00 44.43 H new ATOM 0 HD23 LEU A 115 -18.911 -0.827 25.088 1.00 44.43 H new ATOM 1822 N ALA A 116 -14.478 1.356 23.603 1.00 14.34 N ATOM 1823 CA ALA A 116 -13.099 0.944 23.759 1.00 32.23 C ATOM 1824 C ALA A 116 -12.455 1.645 24.924 1.00 41.22 C ATOM 1825 O ALA A 116 -11.772 1.033 25.745 1.00 53.32 O ATOM 1826 CB ALA A 116 -12.280 1.215 22.482 1.00 62.12 C ATOM 0 H ALA A 116 -14.656 1.837 22.721 1.00 14.34 H new ATOM 0 HA ALA A 116 -13.107 -0.130 23.947 1.00 32.23 H new ATOM 0 HB1 ALA A 116 -11.250 0.893 22.635 1.00 62.12 H new ATOM 0 HB2 ALA A 116 -12.712 0.662 21.648 1.00 62.12 H new ATOM 0 HB3 ALA A 116 -12.298 2.282 22.258 1.00 62.12 H new ATOM 1832 N MET A 117 -12.722 2.964 25.045 1.00 14.50 N ATOM 1833 CA MET A 117 -12.260 3.740 26.159 1.00 43.35 C ATOM 1834 C MET A 117 -12.994 3.366 27.466 1.00 42.23 C ATOM 1835 O MET A 117 -12.386 3.435 28.529 1.00 61.44 O ATOM 1836 CB MET A 117 -12.309 5.259 25.782 1.00 4.11 C ATOM 1837 CG MET A 117 -13.698 5.913 25.765 1.00 21.55 C ATOM 1838 SD MET A 117 -13.720 7.644 25.191 1.00 73.43 S ATOM 1839 CE MET A 117 -12.740 8.383 26.530 1.00 12.14 C ATOM 0 H MET A 117 -13.263 3.495 24.363 1.00 14.50 H new ATOM 0 HA MET A 117 -11.218 3.505 26.375 1.00 43.35 H new ATOM 0 HB2 MET A 117 -11.682 5.806 26.486 1.00 4.11 H new ATOM 0 HB3 MET A 117 -11.862 5.381 24.796 1.00 4.11 H new ATOM 0 HG2 MET A 117 -14.354 5.324 25.124 1.00 21.55 H new ATOM 0 HG3 MET A 117 -14.116 5.873 26.771 1.00 21.55 H new ATOM 0 HE1 MET A 117 -12.872 9.465 26.523 1.00 12.14 H new ATOM 0 HE2 MET A 117 -13.072 7.983 27.488 1.00 12.14 H new ATOM 0 HE3 MET A 117 -11.686 8.146 26.383 1.00 12.14 H new ATOM 1849 N CYS A 118 -14.286 2.905 27.435 1.00 50.23 N ATOM 1850 CA CYS A 118 -14.959 2.273 28.592 1.00 42.42 C ATOM 1851 C CYS A 118 -14.398 0.907 28.961 1.00 32.45 C ATOM 1852 O CYS A 118 -14.110 0.632 30.124 1.00 51.34 O ATOM 1853 CB CYS A 118 -16.497 2.101 28.388 1.00 24.01 C ATOM 1854 SG CYS A 118 -17.456 1.407 29.808 1.00 74.13 S ATOM 0 H CYS A 118 -14.877 2.967 26.606 1.00 50.23 H new ATOM 0 HA CYS A 118 -14.763 2.975 29.402 1.00 42.42 H new ATOM 0 HB2 CYS A 118 -16.917 3.075 28.139 1.00 24.01 H new ATOM 0 HB3 CYS A 118 -16.655 1.455 27.524 1.00 24.01 H new ATOM 1859 N PHE A 119 -14.186 0.015 27.969 1.00 62.11 N ATOM 1860 CA PHE A 119 -13.565 -1.285 28.158 1.00 61.24 C ATOM 1861 C PHE A 119 -12.199 -1.245 28.817 1.00 63.53 C ATOM 1862 O PHE A 119 -11.941 -1.958 29.790 1.00 73.35 O ATOM 1863 CB PHE A 119 -13.475 -1.934 26.756 1.00 52.11 C ATOM 1864 CG PHE A 119 -12.694 -3.219 26.708 1.00 53.52 C ATOM 1865 CD1 PHE A 119 -11.335 -3.142 26.350 1.00 22.11 C ATOM 1866 CD2 PHE A 119 -13.227 -4.451 27.107 1.00 71.44 C ATOM 1867 CE1 PHE A 119 -10.519 -4.272 26.405 1.00 70.12 C ATOM 1868 CE2 PHE A 119 -12.404 -5.581 27.172 1.00 51.51 C ATOM 1869 CZ PHE A 119 -11.053 -5.495 26.823 1.00 3.35 C ATOM 0 H PHE A 119 -14.452 0.196 27.001 1.00 62.11 H new ATOM 0 HA PHE A 119 -14.177 -1.863 28.851 1.00 61.24 H new ATOM 0 HB2 PHE A 119 -14.485 -2.125 26.393 1.00 52.11 H new ATOM 0 HB3 PHE A 119 -13.019 -1.221 26.069 1.00 52.11 H new ATOM 0 HD1 PHE A 119 -10.920 -2.198 26.029 1.00 22.11 H new ATOM 0 HD2 PHE A 119 -14.273 -4.529 27.364 1.00 71.44 H new ATOM 0 HE1 PHE A 119 -9.478 -4.203 26.126 1.00 70.12 H new ATOM 0 HE2 PHE A 119 -12.815 -6.526 27.494 1.00 51.51 H new ATOM 0 HZ PHE A 119 -10.423 -6.371 26.876 1.00 3.35 H new ATOM 1879 N LYS A 120 -11.308 -0.363 28.326 1.00 74.41 N ATOM 1880 CA LYS A 120 -10.000 -0.151 28.891 1.00 65.32 C ATOM 1881 C LYS A 120 -10.067 0.405 30.301 1.00 2.15 C ATOM 1882 O LYS A 120 -9.179 0.179 31.122 1.00 75.32 O ATOM 1883 CB LYS A 120 -9.159 0.823 28.021 1.00 14.03 C ATOM 1884 CG LYS A 120 -8.692 0.263 26.664 1.00 64.31 C ATOM 1885 CD LYS A 120 -7.558 -0.775 26.757 1.00 74.24 C ATOM 1886 CE LYS A 120 -6.266 -0.225 27.372 1.00 15.33 C ATOM 1887 NZ LYS A 120 -5.207 -1.251 27.343 1.00 13.01 N ATOM 0 H LYS A 120 -11.498 0.222 27.512 1.00 74.41 H new ATOM 0 HA LYS A 120 -9.524 -1.131 28.918 1.00 65.32 H new ATOM 0 HB2 LYS A 120 -9.748 1.722 27.840 1.00 14.03 H new ATOM 0 HB3 LYS A 120 -8.281 1.126 28.591 1.00 14.03 H new ATOM 0 HG2 LYS A 120 -9.545 -0.193 26.161 1.00 64.31 H new ATOM 0 HG3 LYS A 120 -8.359 1.091 26.039 1.00 64.31 H new ATOM 0 HD2 LYS A 120 -7.901 -1.622 27.352 1.00 74.24 H new ATOM 0 HD3 LYS A 120 -7.342 -1.154 25.758 1.00 74.24 H new ATOM 0 HE2 LYS A 120 -5.941 0.658 26.822 1.00 15.33 H new ATOM 0 HE3 LYS A 120 -6.449 0.089 28.400 1.00 15.33 H new ATOM 0 HZ1 LYS A 120 -4.276 -0.790 27.384 1.00 13.01 H new ATOM 0 HZ2 LYS A 120 -5.316 -1.885 28.160 1.00 13.01 H new ATOM 0 HZ3 LYS A 120 -5.282 -1.802 26.464 1.00 13.01 H new ATOM 1901 N ALA A 121 -11.151 1.146 30.611 1.00 31.30 N ATOM 1902 CA ALA A 121 -11.370 1.739 31.916 1.00 14.01 C ATOM 1903 C ALA A 121 -11.540 0.689 33.004 1.00 33.21 C ATOM 1904 O ALA A 121 -10.999 0.789 34.103 1.00 34.41 O ATOM 1905 CB ALA A 121 -12.613 2.651 31.878 1.00 24.03 C ATOM 0 H ALA A 121 -11.898 1.343 29.945 1.00 31.30 H new ATOM 0 HA ALA A 121 -10.484 2.326 32.158 1.00 14.01 H new ATOM 0 HB1 ALA A 121 -12.771 3.092 32.862 1.00 24.03 H new ATOM 0 HB2 ALA A 121 -12.461 3.443 31.145 1.00 24.03 H new ATOM 0 HB3 ALA A 121 -13.488 2.063 31.600 1.00 24.03 H new ATOM 1911 N GLU A 122 -12.317 -0.366 32.690 1.00 63.10 N ATOM 1912 CA GLU A 122 -12.543 -1.510 33.541 1.00 33.52 C ATOM 1913 C GLU A 122 -11.316 -2.392 33.762 1.00 12.12 C ATOM 1914 O GLU A 122 -10.997 -2.715 34.898 1.00 61.25 O ATOM 1915 CB GLU A 122 -13.741 -2.293 32.951 1.00 22.02 C ATOM 1916 CG GLU A 122 -15.103 -1.567 33.143 1.00 13.33 C ATOM 1917 CD GLU A 122 -15.581 -1.586 34.596 1.00 53.23 C ATOM 1918 OE1 GLU A 122 -15.638 -0.495 35.224 1.00 4.14 O ATOM 1919 OE2 GLU A 122 -15.902 -2.699 35.088 1.00 14.41 O ATOM 0 H GLU A 122 -12.814 -0.430 31.802 1.00 63.10 H new ATOM 0 HA GLU A 122 -12.770 -1.156 34.547 1.00 33.52 H new ATOM 0 HB2 GLU A 122 -13.571 -2.457 31.887 1.00 22.02 H new ATOM 0 HB3 GLU A 122 -13.791 -3.275 33.421 1.00 22.02 H new ATOM 0 HG2 GLU A 122 -15.010 -0.534 32.809 1.00 13.33 H new ATOM 0 HG3 GLU A 122 -15.855 -2.040 32.511 1.00 13.33 H new ATOM 1926 N ILE A 123 -10.530 -2.758 32.723 1.00 11.42 N ATOM 1927 CA ILE A 123 -9.289 -3.509 32.875 1.00 14.40 C ATOM 1928 C ILE A 123 -8.176 -2.760 33.586 1.00 73.44 C ATOM 1929 O ILE A 123 -7.295 -3.382 34.173 1.00 60.34 O ATOM 1930 CB ILE A 123 -8.776 -4.086 31.561 1.00 70.42 C ATOM 1931 CG1 ILE A 123 -8.356 -2.997 30.565 1.00 55.30 C ATOM 1932 CG2 ILE A 123 -9.847 -5.018 30.957 1.00 3.03 C ATOM 1933 CD1 ILE A 123 -7.905 -3.523 29.203 1.00 41.33 C ATOM 0 H ILE A 123 -10.752 -2.533 31.753 1.00 11.42 H new ATOM 0 HA ILE A 123 -9.576 -4.334 33.527 1.00 14.40 H new ATOM 0 HB ILE A 123 -7.875 -4.662 31.773 1.00 70.42 H new ATOM 0 HG12 ILE A 123 -9.193 -2.315 30.418 1.00 55.30 H new ATOM 0 HG13 ILE A 123 -7.544 -2.416 31.003 1.00 55.30 H new ATOM 0 HG21 ILE A 123 -9.481 -5.431 30.017 1.00 3.03 H new ATOM 0 HG22 ILE A 123 -10.057 -5.830 31.653 1.00 3.03 H new ATOM 0 HG23 ILE A 123 -10.760 -4.452 30.773 1.00 3.03 H new ATOM 0 HD11 ILE A 123 -7.627 -2.685 28.563 1.00 41.33 H new ATOM 0 HD12 ILE A 123 -7.046 -4.181 29.333 1.00 41.33 H new ATOM 0 HD13 ILE A 123 -8.720 -4.078 28.739 1.00 41.33 H new ATOM 1945 N HIS A 124 -8.219 -1.407 33.606 1.00 32.11 N ATOM 1946 CA HIS A 124 -7.368 -0.564 34.432 1.00 43.23 C ATOM 1947 C HIS A 124 -7.590 -0.828 35.920 1.00 21.14 C ATOM 1948 O HIS A 124 -6.647 -0.840 36.707 1.00 3.22 O ATOM 1949 CB HIS A 124 -7.619 0.940 34.134 1.00 21.04 C ATOM 1950 CG HIS A 124 -6.693 1.897 34.837 1.00 55.42 C ATOM 1951 ND1 HIS A 124 -6.978 3.230 34.942 1.00 61.25 N ATOM 1952 CD2 HIS A 124 -5.472 1.713 35.387 1.00 54.44 C ATOM 1953 CE1 HIS A 124 -5.971 3.834 35.545 1.00 55.33 C ATOM 1954 NE2 HIS A 124 -5.045 2.936 35.825 1.00 43.02 N ATOM 0 H HIS A 124 -8.868 -0.873 33.028 1.00 32.11 H new ATOM 0 HA HIS A 124 -6.336 -0.814 34.184 1.00 43.23 H new ATOM 0 HB2 HIS A 124 -7.533 1.100 33.059 1.00 21.04 H new ATOM 0 HB3 HIS A 124 -8.645 1.182 34.411 1.00 21.04 H new ATOM 0 HD2 HIS A 124 -4.936 0.779 35.466 1.00 54.44 H new ATOM 0 HE1 HIS A 124 -5.914 4.888 35.772 1.00 55.33 H new ATOM 0 HE2 HIS A 124 -4.157 3.123 36.291 1.00 43.02 H new ATOM 1963 N LYS A 125 -8.866 -1.021 36.338 1.00 52.14 N ATOM 1964 CA LYS A 125 -9.257 -1.183 37.732 1.00 14.23 C ATOM 1965 C LYS A 125 -8.842 -2.531 38.326 1.00 3.43 C ATOM 1966 O LYS A 125 -8.668 -2.677 39.535 1.00 45.54 O ATOM 1967 CB LYS A 125 -10.793 -0.956 37.894 1.00 52.15 C ATOM 1968 CG LYS A 125 -11.717 -2.193 37.939 1.00 63.11 C ATOM 1969 CD LYS A 125 -13.202 -1.882 37.668 1.00 43.04 C ATOM 1970 CE LYS A 125 -13.803 -0.784 38.544 1.00 12.44 C ATOM 1971 NZ LYS A 125 -15.240 -0.642 38.234 1.00 51.41 N ATOM 0 H LYS A 125 -9.654 -1.067 35.692 1.00 52.14 H new ATOM 0 HA LYS A 125 -8.717 -0.424 38.297 1.00 14.23 H new ATOM 0 HB2 LYS A 125 -10.950 -0.391 38.813 1.00 52.15 H new ATOM 0 HB3 LYS A 125 -11.124 -0.324 37.070 1.00 52.15 H new ATOM 0 HG2 LYS A 125 -11.369 -2.919 37.204 1.00 63.11 H new ATOM 0 HG3 LYS A 125 -11.629 -2.663 38.918 1.00 63.11 H new ATOM 0 HD2 LYS A 125 -13.312 -1.593 36.623 1.00 43.04 H new ATOM 0 HD3 LYS A 125 -13.780 -2.795 37.809 1.00 43.04 H new ATOM 0 HE2 LYS A 125 -13.669 -1.030 39.597 1.00 12.44 H new ATOM 0 HE3 LYS A 125 -13.287 0.160 38.369 1.00 12.44 H new ATOM 0 HZ1 LYS A 125 -15.605 0.228 38.672 1.00 51.41 H new ATOM 0 HZ2 LYS A 125 -15.369 -0.592 37.203 1.00 51.41 H new ATOM 0 HZ3 LYS A 125 -15.759 -1.462 38.608 1.00 51.41 H new ATOM 1985 N LEU A 126 -8.718 -3.556 37.456 1.00 13.24 N ATOM 1986 CA LEU A 126 -8.468 -4.951 37.771 1.00 63.42 C ATOM 1987 C LEU A 126 -7.088 -5.251 38.333 1.00 32.25 C ATOM 1988 O LEU A 126 -6.099 -4.562 38.098 1.00 71.24 O ATOM 1989 CB LEU A 126 -8.715 -5.847 36.525 1.00 65.35 C ATOM 1990 CG LEU A 126 -10.191 -5.859 36.061 1.00 1.20 C ATOM 1991 CD1 LEU A 126 -10.350 -6.384 34.628 1.00 35.33 C ATOM 1992 CD2 LEU A 126 -11.090 -6.664 37.011 1.00 61.02 C ATOM 0 H LEU A 126 -8.798 -3.405 36.450 1.00 13.24 H new ATOM 0 HA LEU A 126 -9.176 -5.181 38.567 1.00 63.42 H new ATOM 0 HB2 LEU A 126 -8.087 -5.498 35.705 1.00 65.35 H new ATOM 0 HB3 LEU A 126 -8.405 -6.867 36.753 1.00 65.35 H new ATOM 0 HG LEU A 126 -10.512 -4.818 36.080 1.00 1.20 H new ATOM 0 HD11 LEU A 126 -11.404 -6.372 34.351 1.00 35.33 H new ATOM 0 HD12 LEU A 126 -9.788 -5.749 33.943 1.00 35.33 H new ATOM 0 HD13 LEU A 126 -9.971 -7.404 34.570 1.00 35.33 H new ATOM 0 HD21 LEU A 126 -12.116 -6.644 36.645 1.00 61.02 H new ATOM 0 HD22 LEU A 126 -10.741 -7.696 37.056 1.00 61.02 H new ATOM 0 HD23 LEU A 126 -11.052 -6.224 38.008 1.00 61.02 H new ATOM 2004 N ASP A 127 -7.013 -6.342 39.130 1.00 71.02 N ATOM 2005 CA ASP A 127 -5.819 -6.775 39.831 1.00 53.23 C ATOM 2006 C ASP A 127 -4.918 -7.638 38.942 1.00 52.31 C ATOM 2007 O ASP A 127 -3.852 -8.074 39.369 1.00 43.54 O ATOM 2008 CB ASP A 127 -6.256 -7.528 41.124 1.00 61.43 C ATOM 2009 CG ASP A 127 -5.106 -7.814 42.092 1.00 21.24 C ATOM 2010 OD1 ASP A 127 -4.891 -9.013 42.407 1.00 60.31 O ATOM 2011 OD2 ASP A 127 -4.470 -6.830 42.550 1.00 40.41 O ATOM 0 H ASP A 127 -7.814 -6.951 39.297 1.00 71.02 H new ATOM 0 HA ASP A 127 -5.220 -5.906 40.103 1.00 53.23 H new ATOM 0 HB2 ASP A 127 -7.013 -6.937 41.639 1.00 61.43 H new ATOM 0 HB3 ASP A 127 -6.725 -8.471 40.843 1.00 61.43 H new ATOM 2016 N TRP A 128 -5.325 -7.896 37.682 1.00 1.54 N ATOM 2017 CA TRP A 128 -4.538 -8.633 36.713 1.00 24.01 C ATOM 2018 C TRP A 128 -4.515 -7.790 35.454 1.00 22.44 C ATOM 2019 O TRP A 128 -5.428 -6.998 35.224 1.00 13.13 O ATOM 2020 CB TRP A 128 -5.122 -10.050 36.409 1.00 23.10 C ATOM 2021 CG TRP A 128 -6.502 -10.014 35.777 1.00 54.15 C ATOM 2022 CD1 TRP A 128 -7.668 -9.644 36.374 1.00 33.22 C ATOM 2023 CD2 TRP A 128 -6.785 -10.172 34.376 1.00 43.30 C ATOM 2024 NE1 TRP A 128 -8.655 -9.481 35.429 1.00 73.35 N ATOM 2025 CE2 TRP A 128 -8.133 -9.799 34.192 1.00 52.24 C ATOM 2026 CE3 TRP A 128 -5.989 -10.562 33.303 1.00 42.55 C ATOM 2027 CZ2 TRP A 128 -8.704 -9.794 32.924 1.00 34.13 C ATOM 2028 CZ3 TRP A 128 -6.578 -10.598 32.031 1.00 24.21 C ATOM 2029 CH2 TRP A 128 -7.910 -10.201 31.840 1.00 73.45 C ATOM 0 H TRP A 128 -6.226 -7.586 37.319 1.00 1.54 H new ATOM 0 HA TRP A 128 -3.538 -8.808 37.109 1.00 24.01 H new ATOM 0 HB2 TRP A 128 -4.440 -10.580 35.744 1.00 23.10 H new ATOM 0 HB3 TRP A 128 -5.171 -10.621 37.336 1.00 23.10 H new ATOM 0 HD1 TRP A 128 -7.800 -9.499 37.436 1.00 33.22 H new ATOM 0 HE1 TRP A 128 -9.611 -9.176 35.612 1.00 73.35 H new ATOM 0 HE3 TRP A 128 -4.952 -10.828 33.445 1.00 42.55 H new ATOM 0 HZ2 TRP A 128 -9.729 -9.486 32.777 1.00 34.13 H new ATOM 0 HZ3 TRP A 128 -5.997 -10.936 31.186 1.00 24.21 H new ATOM 0 HH2 TRP A 128 -8.330 -10.209 30.845 1.00 73.45 H new ATOM 2040 N ALA A 129 -3.471 -7.931 34.611 1.00 14.43 N ATOM 2041 CA ALA A 129 -3.358 -7.155 33.398 1.00 34.14 C ATOM 2042 C ALA A 129 -3.437 -8.045 32.164 1.00 23.25 C ATOM 2043 O ALA A 129 -2.565 -8.902 32.000 1.00 22.22 O ATOM 2044 CB ALA A 129 -2.031 -6.379 33.373 1.00 52.23 C ATOM 0 H ALA A 129 -2.701 -8.582 34.765 1.00 14.43 H new ATOM 0 HA ALA A 129 -4.192 -6.453 33.383 1.00 34.14 H new ATOM 0 HB1 ALA A 129 -1.965 -5.801 32.451 1.00 52.23 H new ATOM 0 HB2 ALA A 129 -1.988 -5.705 34.228 1.00 52.23 H new ATOM 0 HB3 ALA A 129 -1.198 -7.081 33.422 1.00 52.23 H new ATOM 2050 N PRO A 130 -4.407 -7.918 31.256 1.00 11.32 N ATOM 2051 CA PRO A 130 -4.268 -8.412 29.888 1.00 32.23 C ATOM 2052 C PRO A 130 -3.276 -7.543 29.122 1.00 71.34 C ATOM 2053 O PRO A 130 -3.092 -6.371 29.445 1.00 71.42 O ATOM 2054 CB PRO A 130 -5.689 -8.282 29.320 1.00 1.25 C ATOM 2055 CG PRO A 130 -6.292 -7.096 30.077 1.00 51.13 C ATOM 2056 CD PRO A 130 -5.670 -7.198 31.466 1.00 24.44 C ATOM 0 HA PRO A 130 -3.888 -9.431 29.822 1.00 32.23 H new ATOM 0 HB2 PRO A 130 -5.673 -8.101 28.245 1.00 1.25 H new ATOM 0 HB3 PRO A 130 -6.267 -9.192 29.481 1.00 1.25 H new ATOM 0 HG2 PRO A 130 -6.047 -6.149 29.597 1.00 51.13 H new ATOM 0 HG3 PRO A 130 -7.379 -7.160 30.120 1.00 51.13 H new ATOM 0 HD2 PRO A 130 -5.497 -6.211 31.896 1.00 24.44 H new ATOM 0 HD3 PRO A 130 -6.323 -7.735 32.154 1.00 24.44 H new ATOM 2064 N THR A 131 -2.621 -8.105 28.086 1.00 21.03 N ATOM 2065 CA THR A 131 -1.774 -7.364 27.163 1.00 12.15 C ATOM 2066 C THR A 131 -2.678 -6.805 26.085 1.00 22.00 C ATOM 2067 O THR A 131 -3.843 -7.190 25.985 1.00 74.42 O ATOM 2068 CB THR A 131 -0.648 -8.192 26.525 1.00 71.14 C ATOM 2069 OG1 THR A 131 -1.070 -9.145 25.556 1.00 15.35 O ATOM 2070 CG2 THR A 131 0.010 -9.019 27.637 1.00 31.43 C ATOM 0 H THR A 131 -2.674 -9.101 27.874 1.00 21.03 H new ATOM 0 HA THR A 131 -1.262 -6.585 27.729 1.00 12.15 H new ATOM 0 HB THR A 131 0.000 -7.469 26.029 1.00 71.14 H new ATOM 0 HG1 THR A 131 -0.289 -9.622 25.204 1.00 15.35 H new ATOM 0 HG21 THR A 131 0.816 -9.620 27.215 1.00 31.43 H new ATOM 0 HG22 THR A 131 0.415 -8.350 28.397 1.00 31.43 H new ATOM 0 HG23 THR A 131 -0.733 -9.675 28.090 1.00 31.43 H new ATOM 2078 N LEU A 132 -2.177 -5.910 25.202 1.00 40.43 N ATOM 2079 CA LEU A 132 -2.983 -5.368 24.118 1.00 51.34 C ATOM 2080 C LEU A 132 -3.469 -6.444 23.161 1.00 73.41 C ATOM 2081 O LEU A 132 -4.586 -6.354 22.665 1.00 34.32 O ATOM 2082 CB LEU A 132 -2.270 -4.253 23.295 1.00 4.31 C ATOM 2083 CG LEU A 132 -2.041 -2.898 24.020 1.00 63.05 C ATOM 2084 CD1 LEU A 132 -3.311 -2.381 24.716 1.00 14.11 C ATOM 2085 CD2 LEU A 132 -0.841 -2.862 24.983 1.00 31.45 C ATOM 0 H LEU A 132 -1.220 -5.558 25.231 1.00 40.43 H new ATOM 0 HA LEU A 132 -3.835 -4.918 24.627 1.00 51.34 H new ATOM 0 HB2 LEU A 132 -1.302 -4.634 22.970 1.00 4.31 H new ATOM 0 HB3 LEU A 132 -2.856 -4.064 22.396 1.00 4.31 H new ATOM 0 HG LEU A 132 -1.784 -2.218 23.208 1.00 63.05 H new ATOM 0 HD11 LEU A 132 -3.096 -1.432 25.207 1.00 14.11 H new ATOM 0 HD12 LEU A 132 -4.098 -2.237 23.976 1.00 14.11 H new ATOM 0 HD13 LEU A 132 -3.640 -3.107 25.459 1.00 14.11 H new ATOM 0 HD21 LEU A 132 -0.768 -1.874 25.437 1.00 31.45 H new ATOM 0 HD22 LEU A 132 -0.978 -3.611 25.763 1.00 31.45 H new ATOM 0 HD23 LEU A 132 0.075 -3.076 24.432 1.00 31.45 H new ATOM 2097 N ASP A 133 -2.678 -7.523 22.943 1.00 14.31 N ATOM 2098 CA ASP A 133 -3.006 -8.623 22.041 1.00 15.10 C ATOM 2099 C ASP A 133 -4.298 -9.338 22.443 1.00 72.04 C ATOM 2100 O ASP A 133 -5.063 -9.771 21.591 1.00 10.14 O ATOM 2101 CB ASP A 133 -1.867 -9.682 21.996 1.00 70.01 C ATOM 2102 CG ASP A 133 -0.609 -9.184 21.290 1.00 43.43 C ATOM 2103 OD1 ASP A 133 0.433 -9.873 21.447 1.00 51.31 O ATOM 2104 OD2 ASP A 133 -0.661 -8.130 20.607 1.00 14.44 O ATOM 0 H ASP A 133 -1.777 -7.643 23.406 1.00 14.31 H new ATOM 0 HA ASP A 133 -3.136 -8.168 21.059 1.00 15.10 H new ATOM 0 HB2 ASP A 133 -1.612 -9.975 23.014 1.00 70.01 H new ATOM 0 HB3 ASP A 133 -2.231 -10.576 21.489 1.00 70.01 H new ATOM 2109 N VAL A 134 -4.534 -9.482 23.761 1.00 61.43 N ATOM 2110 CA VAL A 134 -5.668 -10.152 24.383 1.00 70.35 C ATOM 2111 C VAL A 134 -6.760 -9.165 24.733 1.00 55.44 C ATOM 2112 O VAL A 134 -7.934 -9.392 24.437 1.00 15.35 O ATOM 2113 CB VAL A 134 -5.269 -11.053 25.556 1.00 2.24 C ATOM 2114 CG1 VAL A 134 -4.063 -10.519 26.307 1.00 33.13 C ATOM 2115 CG2 VAL A 134 -6.403 -11.425 26.536 1.00 22.22 C ATOM 0 H VAL A 134 -3.889 -9.105 24.456 1.00 61.43 H new ATOM 0 HA VAL A 134 -6.081 -10.835 23.641 1.00 70.35 H new ATOM 0 HB VAL A 134 -5.001 -11.990 25.068 1.00 2.24 H new ATOM 0 HG11 VAL A 134 -3.819 -11.192 27.129 1.00 33.13 H new ATOM 0 HG12 VAL A 134 -3.213 -10.452 25.629 1.00 33.13 H new ATOM 0 HG13 VAL A 134 -4.290 -9.529 26.704 1.00 33.13 H new ATOM 0 HG21 VAL A 134 -6.007 -12.064 27.325 1.00 22.22 H new ATOM 0 HG22 VAL A 134 -6.815 -10.517 26.977 1.00 22.22 H new ATOM 0 HG23 VAL A 134 -7.189 -11.956 25.999 1.00 22.22 H new ATOM 2125 N ALA A 135 -6.416 -7.998 25.328 1.00 53.21 N ATOM 2126 CA ALA A 135 -7.395 -6.981 25.645 1.00 41.13 C ATOM 2127 C ALA A 135 -8.075 -6.377 24.437 1.00 41.12 C ATOM 2128 O ALA A 135 -9.300 -6.303 24.395 1.00 1.23 O ATOM 2129 CB ALA A 135 -6.751 -5.858 26.471 1.00 74.15 C ATOM 0 H ALA A 135 -5.461 -7.756 25.591 1.00 53.21 H new ATOM 0 HA ALA A 135 -8.168 -7.492 26.219 1.00 41.13 H new ATOM 0 HB1 ALA A 135 -7.500 -5.101 26.702 1.00 74.15 H new ATOM 0 HB2 ALA A 135 -6.354 -6.270 27.399 1.00 74.15 H new ATOM 0 HB3 ALA A 135 -5.941 -5.405 25.900 1.00 74.15 H new ATOM 2135 N VAL A 136 -7.329 -5.977 23.379 1.00 75.24 N ATOM 2136 CA VAL A 136 -8.009 -5.523 22.179 1.00 11.21 C ATOM 2137 C VAL A 136 -8.467 -6.717 21.400 1.00 65.52 C ATOM 2138 O VAL A 136 -9.448 -6.645 20.667 1.00 2.01 O ATOM 2139 CB VAL A 136 -7.240 -4.614 21.253 1.00 10.21 C ATOM 2140 CG1 VAL A 136 -6.513 -3.526 22.067 1.00 43.31 C ATOM 2141 CG2 VAL A 136 -6.399 -5.310 20.179 1.00 41.44 C ATOM 0 H VAL A 136 -6.310 -5.964 23.344 1.00 75.24 H new ATOM 0 HA VAL A 136 -8.826 -4.906 22.553 1.00 11.21 H new ATOM 0 HB VAL A 136 -7.972 -4.111 20.621 1.00 10.21 H new ATOM 0 HG11 VAL A 136 -5.960 -2.874 21.391 1.00 43.31 H new ATOM 0 HG12 VAL A 136 -7.244 -2.938 22.622 1.00 43.31 H new ATOM 0 HG13 VAL A 136 -5.820 -3.996 22.765 1.00 43.31 H new ATOM 0 HG21 VAL A 136 -5.891 -4.560 19.572 1.00 41.44 H new ATOM 0 HG22 VAL A 136 -5.659 -5.953 20.656 1.00 41.44 H new ATOM 0 HG23 VAL A 136 -7.047 -5.913 19.543 1.00 41.44 H new ATOM 2151 N GLY A 137 -7.752 -7.861 21.529 1.00 13.21 N ATOM 2152 CA GLY A 137 -8.058 -9.033 20.745 1.00 34.41 C ATOM 2153 C GLY A 137 -9.434 -9.580 20.957 1.00 24.14 C ATOM 2154 O GLY A 137 -10.116 -9.883 19.987 1.00 55.21 O ATOM 0 H GLY A 137 -6.968 -7.975 22.171 1.00 13.21 H new ATOM 0 HA2 GLY A 137 -7.936 -8.790 19.689 1.00 34.41 H new ATOM 0 HA3 GLY A 137 -7.331 -9.811 20.979 1.00 34.41 H new ATOM 2158 N GLU A 138 -9.912 -9.706 22.216 1.00 55.14 N ATOM 2159 CA GLU A 138 -11.241 -10.205 22.481 1.00 61.33 C ATOM 2160 C GLU A 138 -12.337 -9.247 22.050 1.00 55.32 C ATOM 2161 O GLU A 138 -13.414 -9.679 21.638 1.00 65.45 O ATOM 2162 CB GLU A 138 -11.388 -10.565 23.968 1.00 41.23 C ATOM 2163 CG GLU A 138 -10.394 -11.646 24.487 1.00 23.15 C ATOM 2164 CD GLU A 138 -9.364 -12.250 23.520 1.00 15.35 C ATOM 2165 OE1 GLU A 138 -9.787 -12.845 22.505 1.00 72.04 O ATOM 2166 OE2 GLU A 138 -8.146 -12.157 23.803 1.00 53.32 O ATOM 0 H GLU A 138 -9.381 -9.463 23.052 1.00 55.14 H new ATOM 0 HA GLU A 138 -11.365 -11.103 21.876 1.00 61.33 H new ATOM 0 HB2 GLU A 138 -11.257 -9.659 24.560 1.00 41.23 H new ATOM 0 HB3 GLU A 138 -12.405 -10.915 24.142 1.00 41.23 H new ATOM 0 HG2 GLU A 138 -9.844 -11.211 25.321 1.00 23.15 H new ATOM 0 HG3 GLU A 138 -10.986 -12.468 24.890 1.00 23.15 H new ATOM 2173 N LEU A 139 -12.066 -7.917 22.089 1.00 75.42 N ATOM 2174 CA LEU A 139 -12.913 -6.910 21.491 1.00 12.14 C ATOM 2175 C LEU A 139 -12.988 -7.079 20.029 1.00 51.03 C ATOM 2176 O LEU A 139 -14.056 -7.304 19.474 1.00 12.24 O ATOM 2177 CB LEU A 139 -12.372 -5.470 21.629 1.00 51.41 C ATOM 2178 CG LEU A 139 -12.553 -4.825 22.980 1.00 45.42 C ATOM 2179 CD1 LEU A 139 -11.749 -3.516 23.030 1.00 21.44 C ATOM 2180 CD2 LEU A 139 -14.042 -4.510 23.148 1.00 2.43 C ATOM 0 H LEU A 139 -11.239 -7.533 22.547 1.00 75.42 H new ATOM 0 HA LEU A 139 -13.860 -7.039 22.014 1.00 12.14 H new ATOM 0 HB2 LEU A 139 -11.308 -5.478 21.391 1.00 51.41 H new ATOM 0 HB3 LEU A 139 -12.861 -4.846 20.881 1.00 51.41 H new ATOM 0 HG LEU A 139 -12.206 -5.488 23.773 1.00 45.42 H new ATOM 0 HD11 LEU A 139 -11.878 -3.047 24.005 1.00 21.44 H new ATOM 0 HD12 LEU A 139 -10.693 -3.731 22.867 1.00 21.44 H new ATOM 0 HD13 LEU A 139 -12.105 -2.840 22.253 1.00 21.44 H new ATOM 0 HD21 LEU A 139 -14.208 -4.041 24.118 1.00 2.43 H new ATOM 0 HD22 LEU A 139 -14.362 -3.831 22.358 1.00 2.43 H new ATOM 0 HD23 LEU A 139 -14.618 -5.433 23.088 1.00 2.43 H new ATOM 2192 N LEU A 140 -11.820 -6.996 19.374 1.00 2.03 N ATOM 2193 CA LEU A 140 -11.786 -7.021 17.935 1.00 12.35 C ATOM 2194 C LEU A 140 -12.238 -8.348 17.356 1.00 62.51 C ATOM 2195 O LEU A 140 -12.935 -8.377 16.350 1.00 72.44 O ATOM 2196 CB LEU A 140 -10.383 -6.637 17.393 1.00 61.01 C ATOM 2197 CG LEU A 140 -9.951 -5.172 17.646 1.00 1.04 C ATOM 2198 CD1 LEU A 140 -8.561 -4.912 17.037 1.00 41.00 C ATOM 2199 CD2 LEU A 140 -10.934 -4.116 17.133 1.00 11.31 C ATOM 0 H LEU A 140 -10.909 -6.913 19.825 1.00 2.03 H new ATOM 0 HA LEU A 140 -12.503 -6.270 17.604 1.00 12.35 H new ATOM 0 HB2 LEU A 140 -9.644 -7.299 17.845 1.00 61.01 H new ATOM 0 HB3 LEU A 140 -10.364 -6.823 16.319 1.00 61.01 H new ATOM 0 HG LEU A 140 -9.929 -5.066 18.731 1.00 1.04 H new ATOM 0 HD11 LEU A 140 -8.270 -3.878 17.223 1.00 41.00 H new ATOM 0 HD12 LEU A 140 -7.832 -5.582 17.494 1.00 41.00 H new ATOM 0 HD13 LEU A 140 -8.595 -5.092 15.963 1.00 41.00 H new ATOM 0 HD21 LEU A 140 -10.548 -3.121 17.355 1.00 11.31 H new ATOM 0 HD22 LEU A 140 -11.056 -4.226 16.055 1.00 11.31 H new ATOM 0 HD23 LEU A 140 -11.899 -4.248 17.623 1.00 11.31 H new ATOM 2211 N ALA A 141 -11.905 -9.489 17.993 1.00 71.41 N ATOM 2212 CA ALA A 141 -12.423 -10.770 17.589 1.00 11.41 C ATOM 2213 C ALA A 141 -13.933 -10.906 17.683 1.00 2.24 C ATOM 2214 O ALA A 141 -14.542 -11.540 16.831 1.00 75.23 O ATOM 2215 CB ALA A 141 -11.803 -11.906 18.417 1.00 25.10 C ATOM 0 H ALA A 141 -11.273 -9.527 18.793 1.00 71.41 H new ATOM 0 HA ALA A 141 -12.148 -10.843 16.537 1.00 11.41 H new ATOM 0 HB1 ALA A 141 -12.213 -12.861 18.089 1.00 25.10 H new ATOM 0 HB2 ALA A 141 -10.722 -11.909 18.278 1.00 25.10 H new ATOM 0 HB3 ALA A 141 -12.033 -11.755 19.472 1.00 25.10 H new ATOM 2221 N ASP A 142 -14.585 -10.367 18.735 1.00 33.23 N ATOM 2222 CA ASP A 142 -16.029 -10.422 18.845 1.00 4.15 C ATOM 2223 C ASP A 142 -16.686 -9.336 17.980 1.00 21.11 C ATOM 2224 O ASP A 142 -17.804 -9.499 17.501 1.00 23.24 O ATOM 2225 CB ASP A 142 -16.399 -10.321 20.351 1.00 21.33 C ATOM 2226 CG ASP A 142 -17.845 -10.700 20.653 1.00 14.21 C ATOM 2227 OD1 ASP A 142 -18.321 -11.722 20.097 1.00 1.41 O ATOM 2228 OD2 ASP A 142 -18.468 -9.999 21.496 1.00 43.14 O ATOM 0 H ASP A 142 -14.121 -9.893 19.510 1.00 33.23 H new ATOM 0 HA ASP A 142 -16.414 -11.366 18.460 1.00 4.15 H new ATOM 0 HB2 ASP A 142 -15.736 -10.969 20.923 1.00 21.33 H new ATOM 0 HB3 ASP A 142 -16.221 -9.301 20.692 1.00 21.33 H new ATOM 2233 N THR A 143 -16.003 -8.186 17.784 1.00 41.32 N ATOM 2234 CA THR A 143 -16.519 -7.014 17.059 1.00 2.23 C ATOM 2235 C THR A 143 -16.812 -7.226 15.556 1.00 34.12 C ATOM 2236 O THR A 143 -15.838 -7.254 14.759 1.00 0.00 O ATOM 2237 CB THR A 143 -15.646 -5.770 17.195 1.00 61.01 C ATOM 2238 OG1 THR A 143 -15.602 -5.362 18.555 1.00 31.22 O ATOM 2239 CG2 THR A 143 -16.152 -4.567 16.372 1.00 45.44 C ATOM 2240 OXT THR A 143 -18.016 -7.285 15.188 1.00 0.00 O ATOM 0 H THR A 143 -15.056 -8.049 18.136 1.00 41.32 H new ATOM 0 HA THR A 143 -17.472 -6.860 17.566 1.00 2.23 H new ATOM 0 HB THR A 143 -14.664 -6.054 16.817 1.00 61.01 H new ATOM 0 HG1 THR A 143 -15.235 -6.087 19.102 1.00 31.22 H new ATOM 0 HG21 THR A 143 -15.482 -3.719 16.517 1.00 45.44 H new ATOM 0 HG22 THR A 143 -16.176 -4.833 15.315 1.00 45.44 H new ATOM 0 HG23 THR A 143 -17.156 -4.297 16.701 1.00 45.44 H new TER 2248 THR A 143