USER MOD reduce.3.24.130724 H: found=0, std=0, add=879, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 879 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 78 CYS SG : rot -177:sc= 1.23 USER MOD Set 1.2: A 82 ASN : amide:sc= -0.309 K(o=0.92,f=-0.43) USER MOD Single : A 1 GLU N :NH3+ -106:sc= 0.0474 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.145 X(o=-0.15,f=-0.0087) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot -126:sc= 0.464 USER MOD Single : A 6 CYS SG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 154:sc= -0.0422 (180deg=-2.79) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HE2:sc= -5.44! C(o=-5.4!,f=-4.7!) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.27) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -148:sc= -0.221 (180deg=-1.13) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00439 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 22:sc= -1.73! USER MOD Single : A 65 GLN : amide:sc= -1.78 K(o=-1.8,f=-0.71) USER MOD Single : A 74 MET CE :methyl -120:sc= -5.97! (180deg=-8.48!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 ASN : amide:sc= 0.134 K(o=0.13,f=-4.5!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 150:sc=-0.00224 (180deg=-0.189) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.797 K(o=-0.8,f=-1.9!) USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ -173:sc= 0.0707 (180deg=0.0606) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0299) USER MOD Single : A 106 MET CE :methyl 145:sc= -0.363 (180deg=-1.63!) USER MOD Single : A 108 GLN : amide:sc= -1.09 K(o=-1.1,f=-3.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 169.684 -17.522 11.580 1.00 0.00 N ATOM 2 CA GLU A 1 170.110 -17.525 10.152 1.00 0.00 C ATOM 3 C GLU A 1 170.789 -16.210 9.779 1.00 0.00 C ATOM 4 O GLU A 1 170.498 -15.165 10.364 1.00 0.00 O ATOM 5 CB GLU A 1 168.877 -17.749 9.270 1.00 0.00 C ATOM 6 CG GLU A 1 169.208 -18.165 7.843 1.00 0.00 C ATOM 7 CD GLU A 1 167.971 -18.329 6.978 1.00 0.00 C ATOM 8 OE1 GLU A 1 167.144 -17.393 6.936 1.00 0.00 O ATOM 9 OE2 GLU A 1 167.830 -19.394 6.342 1.00 0.00 O ATOM 0 H1 GLU A 1 170.320 -18.131 12.133 1.00 0.00 H new ATOM 0 H2 GLU A 1 169.723 -16.552 11.952 1.00 0.00 H new ATOM 0 H3 GLU A 1 168.711 -17.881 11.653 1.00 0.00 H new ATOM 0 HA GLU A 1 170.832 -18.327 9.997 1.00 0.00 H new ATOM 0 HB2 GLU A 1 168.251 -18.516 9.726 1.00 0.00 H new ATOM 0 HB3 GLU A 1 168.289 -16.831 9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 1 169.864 -17.419 7.394 1.00 0.00 H new ATOM 0 HG3 GLU A 1 169.760 -19.105 7.862 1.00 0.00 H new ATOM 18 N GLN A 2 171.686 -16.268 8.797 1.00 0.00 N ATOM 19 CA GLN A 2 172.403 -15.080 8.336 1.00 0.00 C ATOM 20 C GLN A 2 171.429 -14.020 7.820 1.00 0.00 C ATOM 21 O GLN A 2 171.647 -12.823 8.013 1.00 0.00 O ATOM 22 CB GLN A 2 173.404 -15.449 7.239 1.00 0.00 C ATOM 23 CG GLN A 2 174.409 -16.510 7.661 1.00 0.00 C ATOM 24 CD GLN A 2 174.718 -17.499 6.551 1.00 0.00 C ATOM 25 OE1 GLN A 2 175.873 -17.671 6.163 1.00 0.00 O ATOM 26 NE2 GLN A 2 173.685 -18.158 6.036 1.00 0.00 N ATOM 0 H GLN A 2 171.934 -17.126 8.304 1.00 0.00 H new ATOM 0 HA GLN A 2 172.947 -14.666 9.185 1.00 0.00 H new ATOM 0 HB2 GLN A 2 172.858 -15.805 6.366 1.00 0.00 H new ATOM 0 HB3 GLN A 2 173.943 -14.552 6.934 1.00 0.00 H new ATOM 0 HG2 GLN A 2 175.332 -16.025 7.977 1.00 0.00 H new ATOM 0 HG3 GLN A 2 174.021 -17.049 8.525 1.00 0.00 H new ATOM 0 HE21 GLN A 2 172.743 -17.985 6.387 1.00 0.00 H new ATOM 0 HE22 GLN A 2 173.834 -18.837 5.290 1.00 0.00 H new ATOM 35 N LEU A 3 170.352 -14.468 7.170 1.00 0.00 N ATOM 36 CA LEU A 3 169.343 -13.557 6.634 1.00 0.00 C ATOM 37 C LEU A 3 168.740 -12.696 7.745 1.00 0.00 C ATOM 38 O LEU A 3 168.614 -11.480 7.598 1.00 0.00 O ATOM 39 CB LEU A 3 168.233 -14.344 5.930 1.00 0.00 C ATOM 40 CG LEU A 3 168.515 -14.713 4.471 1.00 0.00 C ATOM 41 CD1 LEU A 3 167.608 -15.852 4.027 1.00 0.00 C ATOM 42 CD2 LEU A 3 168.334 -13.499 3.571 1.00 0.00 C ATOM 0 H LEU A 3 170.158 -15.455 7.003 1.00 0.00 H new ATOM 0 HA LEU A 3 169.831 -12.903 5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 3 168.049 -15.261 6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 3 167.315 -13.758 5.968 1.00 0.00 H new ATOM 0 HG LEU A 3 169.549 -15.047 4.391 1.00 0.00 H new ATOM 0 HD11 LEU A 3 167.821 -16.103 2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 3 167.787 -16.725 4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 3 166.566 -15.545 4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 3 168.538 -13.779 2.537 1.00 0.00 H new ATOM 0 HD22 LEU A 3 167.310 -13.135 3.653 1.00 0.00 H new ATOM 0 HD23 LEU A 3 169.024 -12.713 3.877 1.00 0.00 H new ATOM 54 N LYS A 4 168.374 -13.336 8.858 1.00 0.00 N ATOM 55 CA LYS A 4 167.789 -12.625 9.994 1.00 0.00 C ATOM 56 C LYS A 4 168.831 -11.748 10.690 1.00 0.00 C ATOM 57 O LYS A 4 168.520 -10.644 11.138 1.00 0.00 O ATOM 58 CB LYS A 4 167.184 -13.612 10.999 1.00 0.00 C ATOM 59 CG LYS A 4 166.075 -14.475 10.417 1.00 0.00 C ATOM 60 CD LYS A 4 165.296 -15.197 11.505 1.00 0.00 C ATOM 61 CE LYS A 4 164.367 -16.247 10.915 1.00 0.00 C ATOM 62 NZ LYS A 4 163.514 -16.889 11.955 1.00 0.00 N ATOM 0 H LYS A 4 168.472 -14.342 8.995 1.00 0.00 H new ATOM 0 HA LYS A 4 166.997 -11.983 9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 4 167.974 -14.259 11.380 1.00 0.00 H new ATOM 0 HB3 LYS A 4 166.791 -13.055 11.850 1.00 0.00 H new ATOM 0 HG2 LYS A 4 165.396 -13.852 9.835 1.00 0.00 H new ATOM 0 HG3 LYS A 4 166.504 -15.205 9.731 1.00 0.00 H new ATOM 0 HD2 LYS A 4 165.990 -15.671 12.199 1.00 0.00 H new ATOM 0 HD3 LYS A 4 164.715 -14.475 12.079 1.00 0.00 H new ATOM 0 HE2 LYS A 4 163.731 -15.785 10.160 1.00 0.00 H new ATOM 0 HE3 LYS A 4 164.958 -17.011 10.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 162.897 -17.597 11.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 164.119 -17.353 12.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 162.930 -16.165 12.420 1.00 0.00 H new ATOM 76 N CYS A 5 170.067 -12.246 10.774 1.00 0.00 N ATOM 77 CA CYS A 5 171.155 -11.503 11.414 1.00 0.00 C ATOM 78 C CYS A 5 171.442 -10.198 10.668 1.00 0.00 C ATOM 79 O CYS A 5 171.688 -9.163 11.290 1.00 0.00 O ATOM 80 CB CYS A 5 172.424 -12.357 11.474 1.00 0.00 C ATOM 81 SG CYS A 5 173.286 -12.289 13.063 1.00 0.00 S ATOM 0 H CYS A 5 170.339 -13.158 10.408 1.00 0.00 H new ATOM 0 HA CYS A 5 170.841 -11.259 12.429 1.00 0.00 H new ATOM 0 HB2 CYS A 5 172.162 -13.393 11.259 1.00 0.00 H new ATOM 0 HB3 CYS A 5 173.106 -12.031 10.689 1.00 0.00 H new ATOM 0 HG CYS A 5 174.527 -11.952 12.870 1.00 0.00 H new ATOM 87 N CYS A 6 171.407 -10.255 9.333 1.00 0.00 N ATOM 88 CA CYS A 6 171.659 -9.077 8.502 1.00 0.00 C ATOM 89 C CYS A 6 170.649 -7.970 8.804 1.00 0.00 C ATOM 90 O CYS A 6 170.997 -6.788 8.816 1.00 0.00 O ATOM 91 CB CYS A 6 171.595 -9.445 7.015 1.00 0.00 C ATOM 92 SG CYS A 6 173.205 -9.789 6.268 1.00 0.00 S ATOM 0 H CYS A 6 171.206 -11.105 8.806 1.00 0.00 H new ATOM 0 HA CYS A 6 172.659 -8.710 8.736 1.00 0.00 H new ATOM 0 HB2 CYS A 6 170.957 -10.321 6.896 1.00 0.00 H new ATOM 0 HB3 CYS A 6 171.121 -8.629 6.470 1.00 0.00 H new ATOM 0 HG CYS A 6 173.046 -10.092 5.014 1.00 0.00 H new ATOM 98 N SER A 7 169.398 -8.365 9.052 1.00 0.00 N ATOM 99 CA SER A 7 168.334 -7.411 9.359 1.00 0.00 C ATOM 100 C SER A 7 168.688 -6.572 10.587 1.00 0.00 C ATOM 101 O SER A 7 168.407 -5.373 10.628 1.00 0.00 O ATOM 102 CB SER A 7 167.009 -8.142 9.588 1.00 0.00 C ATOM 103 OG SER A 7 165.933 -7.227 9.702 1.00 0.00 O ATOM 0 H SER A 7 169.099 -9.340 9.046 1.00 0.00 H new ATOM 0 HA SER A 7 168.226 -6.742 8.505 1.00 0.00 H new ATOM 0 HB2 SER A 7 166.821 -8.828 8.762 1.00 0.00 H new ATOM 0 HB3 SER A 7 167.075 -8.745 10.494 1.00 0.00 H new ATOM 0 HG SER A 7 165.098 -7.720 9.846 1.00 0.00 H new ATOM 109 N GLY A 8 169.312 -7.208 11.582 1.00 0.00 N ATOM 110 CA GLY A 8 169.701 -6.504 12.793 1.00 0.00 C ATOM 111 C GLY A 8 170.650 -5.354 12.513 1.00 0.00 C ATOM 112 O GLY A 8 170.468 -4.254 13.037 1.00 0.00 O ATOM 0 H GLY A 8 169.554 -8.199 11.568 1.00 0.00 H new ATOM 0 HA2 GLY A 8 168.809 -6.123 13.291 1.00 0.00 H new ATOM 0 HA3 GLY A 8 170.175 -7.204 13.481 1.00 0.00 H new ATOM 116 N ILE A 9 171.657 -5.604 11.675 1.00 0.00 N ATOM 117 CA ILE A 9 172.629 -4.573 11.317 1.00 0.00 C ATOM 118 C ILE A 9 171.944 -3.437 10.559 1.00 0.00 C ATOM 119 O ILE A 9 172.198 -2.261 10.822 1.00 0.00 O ATOM 120 CB ILE A 9 173.780 -5.142 10.454 1.00 0.00 C ATOM 121 CG1 ILE A 9 174.416 -6.360 11.136 1.00 0.00 C ATOM 122 CG2 ILE A 9 174.829 -4.069 10.196 1.00 0.00 C ATOM 123 CD1 ILE A 9 175.245 -7.214 10.199 1.00 0.00 C ATOM 0 H ILE A 9 171.820 -6.509 11.233 1.00 0.00 H new ATOM 0 HA ILE A 9 173.054 -4.194 12.247 1.00 0.00 H new ATOM 0 HB ILE A 9 173.367 -5.462 9.497 1.00 0.00 H new ATOM 0 HG12 ILE A 9 175.047 -6.018 11.957 1.00 0.00 H new ATOM 0 HG13 ILE A 9 173.628 -6.974 11.573 1.00 0.00 H new ATOM 0 HG21 ILE A 9 175.632 -4.484 9.588 1.00 0.00 H new ATOM 0 HG22 ILE A 9 174.371 -3.232 9.670 1.00 0.00 H new ATOM 0 HG23 ILE A 9 175.236 -3.722 11.146 1.00 0.00 H new ATOM 0 HD11 ILE A 9 175.664 -8.057 10.749 1.00 0.00 H new ATOM 0 HD12 ILE A 9 174.614 -7.585 9.391 1.00 0.00 H new ATOM 0 HD13 ILE A 9 176.054 -6.615 9.781 1.00 0.00 H new ATOM 135 N LEU A 10 171.060 -3.801 9.630 1.00 0.00 N ATOM 136 CA LEU A 10 170.317 -2.820 8.844 1.00 0.00 C ATOM 137 C LEU A 10 169.430 -1.961 9.749 1.00 0.00 C ATOM 138 O LEU A 10 169.240 -0.771 9.495 1.00 0.00 O ATOM 139 CB LEU A 10 169.460 -3.516 7.780 1.00 0.00 C ATOM 140 CG LEU A 10 170.140 -3.719 6.422 1.00 0.00 C ATOM 141 CD1 LEU A 10 169.349 -4.701 5.568 1.00 0.00 C ATOM 142 CD2 LEU A 10 170.300 -2.388 5.698 1.00 0.00 C ATOM 0 H LEU A 10 170.842 -4.771 9.404 1.00 0.00 H new ATOM 0 HA LEU A 10 171.038 -2.173 8.345 1.00 0.00 H new ATOM 0 HB2 LEU A 10 169.153 -4.489 8.163 1.00 0.00 H new ATOM 0 HB3 LEU A 10 168.552 -2.932 7.630 1.00 0.00 H new ATOM 0 HG LEU A 10 171.132 -4.137 6.595 1.00 0.00 H new ATOM 0 HD11 LEU A 10 169.848 -4.832 4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 10 169.289 -5.662 6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 10 168.343 -4.313 5.405 1.00 0.00 H new ATOM 0 HD21 LEU A 10 170.785 -2.553 4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 10 169.319 -1.941 5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 10 170.911 -1.717 6.302 1.00 0.00 H new ATOM 154 N LYS A 11 168.881 -2.578 10.801 1.00 0.00 N ATOM 155 CA LYS A 11 168.005 -1.876 11.739 1.00 0.00 C ATOM 156 C LYS A 11 168.704 -0.674 12.379 1.00 0.00 C ATOM 157 O LYS A 11 168.046 0.299 12.737 1.00 0.00 O ATOM 158 CB LYS A 11 167.508 -2.829 12.833 1.00 0.00 C ATOM 159 CG LYS A 11 166.057 -3.255 12.658 1.00 0.00 C ATOM 160 CD LYS A 11 165.356 -3.434 13.999 1.00 0.00 C ATOM 161 CE LYS A 11 164.854 -4.860 14.183 1.00 0.00 C ATOM 162 NZ LYS A 11 165.041 -5.341 15.582 1.00 0.00 N ATOM 0 H LYS A 11 169.029 -3.563 11.022 1.00 0.00 H new ATOM 0 HA LYS A 11 167.153 -1.508 11.168 1.00 0.00 H new ATOM 0 HB2 LYS A 11 168.140 -3.717 12.844 1.00 0.00 H new ATOM 0 HB3 LYS A 11 167.621 -2.345 13.803 1.00 0.00 H new ATOM 0 HG2 LYS A 11 165.527 -2.508 12.067 1.00 0.00 H new ATOM 0 HG3 LYS A 11 166.017 -4.190 12.099 1.00 0.00 H new ATOM 0 HD2 LYS A 11 166.044 -3.183 14.806 1.00 0.00 H new ATOM 0 HD3 LYS A 11 164.518 -2.741 14.067 1.00 0.00 H new ATOM 0 HE2 LYS A 11 163.797 -4.909 13.921 1.00 0.00 H new ATOM 0 HE3 LYS A 11 165.383 -5.522 13.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 164.687 -6.315 15.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 166.052 -5.319 15.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 164.515 -4.725 16.234 1.00 0.00 H new ATOM 176 N GLU A 12 170.033 -0.734 12.517 1.00 0.00 N ATOM 177 CA GLU A 12 170.791 0.374 13.109 1.00 0.00 C ATOM 178 C GLU A 12 170.578 1.665 12.322 1.00 0.00 C ATOM 179 O GLU A 12 170.494 2.749 12.905 1.00 0.00 O ATOM 180 CB GLU A 12 172.285 0.042 13.161 1.00 0.00 C ATOM 181 CG GLU A 12 172.667 -0.892 14.299 1.00 0.00 C ATOM 182 CD GLU A 12 174.169 -1.064 14.439 1.00 0.00 C ATOM 183 OE1 GLU A 12 174.807 -1.537 13.473 1.00 0.00 O ATOM 184 OE2 GLU A 12 174.706 -0.729 15.516 1.00 0.00 O ATOM 0 H GLU A 12 170.602 -1.530 12.230 1.00 0.00 H new ATOM 0 HA GLU A 12 170.424 0.519 14.125 1.00 0.00 H new ATOM 0 HB2 GLU A 12 172.580 -0.413 12.215 1.00 0.00 H new ATOM 0 HB3 GLU A 12 172.850 0.969 13.259 1.00 0.00 H new ATOM 0 HG2 GLU A 12 172.262 -0.504 15.233 1.00 0.00 H new ATOM 0 HG3 GLU A 12 172.208 -1.867 14.133 1.00 0.00 H new ATOM 191 N MET A 13 170.481 1.544 10.997 1.00 0.00 N ATOM 192 CA MET A 13 170.262 2.703 10.139 1.00 0.00 C ATOM 193 C MET A 13 168.953 3.403 10.504 1.00 0.00 C ATOM 194 O MET A 13 168.869 4.628 10.468 1.00 0.00 O ATOM 195 CB MET A 13 170.243 2.288 8.666 1.00 0.00 C ATOM 196 CG MET A 13 171.629 2.131 8.060 1.00 0.00 C ATOM 197 SD MET A 13 172.181 0.415 8.024 1.00 0.00 S ATOM 198 CE MET A 13 173.957 0.630 7.960 1.00 0.00 C ATOM 0 H MET A 13 170.551 0.657 10.499 1.00 0.00 H new ATOM 0 HA MET A 13 171.086 3.400 10.294 1.00 0.00 H new ATOM 0 HB2 MET A 13 169.705 1.345 8.570 1.00 0.00 H new ATOM 0 HB3 MET A 13 169.688 3.032 8.095 1.00 0.00 H new ATOM 0 HG2 MET A 13 171.625 2.529 7.045 1.00 0.00 H new ATOM 0 HG3 MET A 13 172.341 2.726 8.632 1.00 0.00 H new ATOM 0 HE1 MET A 13 174.445 -0.247 8.385 1.00 0.00 H new ATOM 0 HE2 MET A 13 174.271 0.754 6.924 1.00 0.00 H new ATOM 0 HE3 MET A 13 174.237 1.514 8.533 1.00 0.00 H new ATOM 208 N PHE A 14 167.933 2.617 10.862 1.00 0.00 N ATOM 209 CA PHE A 14 166.634 3.173 11.240 1.00 0.00 C ATOM 210 C PHE A 14 166.333 2.953 12.731 1.00 0.00 C ATOM 211 O PHE A 14 165.173 2.991 13.147 1.00 0.00 O ATOM 212 CB PHE A 14 165.525 2.554 10.384 1.00 0.00 C ATOM 213 CG PHE A 14 164.668 3.573 9.686 1.00 0.00 C ATOM 214 CD1 PHE A 14 163.570 4.129 10.323 1.00 0.00 C ATOM 215 CD2 PHE A 14 164.961 3.974 8.392 1.00 0.00 C ATOM 216 CE1 PHE A 14 162.780 5.065 9.682 1.00 0.00 C ATOM 217 CE2 PHE A 14 164.175 4.909 7.746 1.00 0.00 C ATOM 218 CZ PHE A 14 163.083 5.455 8.392 1.00 0.00 C ATOM 0 H PHE A 14 167.983 1.599 10.897 1.00 0.00 H new ATOM 0 HA PHE A 14 166.671 4.248 11.063 1.00 0.00 H new ATOM 0 HB2 PHE A 14 165.975 1.898 9.639 1.00 0.00 H new ATOM 0 HB3 PHE A 14 164.893 1.931 11.017 1.00 0.00 H new ATOM 0 HD1 PHE A 14 163.329 3.828 11.332 1.00 0.00 H new ATOM 0 HD2 PHE A 14 165.814 3.551 7.882 1.00 0.00 H new ATOM 0 HE1 PHE A 14 161.927 5.491 10.189 1.00 0.00 H new ATOM 0 HE2 PHE A 14 164.414 5.212 6.737 1.00 0.00 H new ATOM 0 HZ PHE A 14 162.467 6.186 7.889 1.00 0.00 H new ATOM 228 N ALA A 15 167.378 2.733 13.536 1.00 0.00 N ATOM 229 CA ALA A 15 167.209 2.519 14.976 1.00 0.00 C ATOM 230 C ALA A 15 167.819 3.664 15.789 1.00 0.00 C ATOM 231 O ALA A 15 168.094 3.513 16.981 1.00 0.00 O ATOM 232 CB ALA A 15 167.825 1.191 15.395 1.00 0.00 C ATOM 0 H ALA A 15 168.346 2.699 13.216 1.00 0.00 H new ATOM 0 HA ALA A 15 166.139 2.494 15.182 1.00 0.00 H new ATOM 0 HB1 ALA A 15 167.690 1.049 16.467 1.00 0.00 H new ATOM 0 HB2 ALA A 15 167.337 0.378 14.857 1.00 0.00 H new ATOM 0 HB3 ALA A 15 168.890 1.194 15.161 1.00 0.00 H new ATOM 238 N LYS A 16 168.036 4.806 15.131 1.00 0.00 N ATOM 239 CA LYS A 16 168.620 5.985 15.776 1.00 0.00 C ATOM 240 C LYS A 16 170.096 5.756 16.120 1.00 0.00 C ATOM 241 O LYS A 16 170.619 6.342 17.069 1.00 0.00 O ATOM 242 CB LYS A 16 167.827 6.364 17.037 1.00 0.00 C ATOM 243 CG LYS A 16 167.188 7.744 16.966 1.00 0.00 C ATOM 244 CD LYS A 16 166.859 8.285 18.351 1.00 0.00 C ATOM 245 CE LYS A 16 165.360 8.268 18.621 1.00 0.00 C ATOM 246 NZ LYS A 16 164.675 9.472 18.069 1.00 0.00 N ATOM 0 H LYS A 16 167.814 4.939 14.144 1.00 0.00 H new ATOM 0 HA LYS A 16 168.563 6.812 15.069 1.00 0.00 H new ATOM 0 HB2 LYS A 16 167.047 5.620 17.202 1.00 0.00 H new ATOM 0 HB3 LYS A 16 168.493 6.325 17.899 1.00 0.00 H new ATOM 0 HG2 LYS A 16 167.864 8.432 16.458 1.00 0.00 H new ATOM 0 HG3 LYS A 16 166.277 7.693 16.370 1.00 0.00 H new ATOM 0 HD2 LYS A 16 167.372 7.689 19.106 1.00 0.00 H new ATOM 0 HD3 LYS A 16 167.234 9.305 18.442 1.00 0.00 H new ATOM 0 HE2 LYS A 16 164.924 7.371 18.182 1.00 0.00 H new ATOM 0 HE3 LYS A 16 165.187 8.214 19.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 163.657 9.418 18.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 165.072 10.328 18.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 164.817 9.511 17.040 1.00 0.00 H new ATOM 260 N LYS A 17 170.764 4.905 15.337 1.00 0.00 N ATOM 261 CA LYS A 17 172.178 4.604 15.556 1.00 0.00 C ATOM 262 C LYS A 17 173.033 5.041 14.364 1.00 0.00 C ATOM 263 O LYS A 17 174.190 5.428 14.534 1.00 0.00 O ATOM 264 CB LYS A 17 172.371 3.109 15.818 1.00 0.00 C ATOM 265 CG LYS A 17 171.737 2.631 17.115 1.00 0.00 C ATOM 266 CD LYS A 17 171.776 1.116 17.228 1.00 0.00 C ATOM 267 CE LYS A 17 171.375 0.646 18.618 1.00 0.00 C ATOM 268 NZ LYS A 17 169.905 0.748 18.841 1.00 0.00 N ATOM 0 H LYS A 17 170.347 4.413 14.547 1.00 0.00 H new ATOM 0 HA LYS A 17 172.504 5.166 16.431 1.00 0.00 H new ATOM 0 HB2 LYS A 17 171.947 2.545 14.987 1.00 0.00 H new ATOM 0 HB3 LYS A 17 173.438 2.888 15.842 1.00 0.00 H new ATOM 0 HG2 LYS A 17 172.261 3.074 17.962 1.00 0.00 H new ATOM 0 HG3 LYS A 17 170.704 2.974 17.164 1.00 0.00 H new ATOM 0 HD2 LYS A 17 171.106 0.678 16.488 1.00 0.00 H new ATOM 0 HD3 LYS A 17 172.780 0.760 16.999 1.00 0.00 H new ATOM 0 HE2 LYS A 17 171.691 -0.388 18.756 1.00 0.00 H new ATOM 0 HE3 LYS A 17 171.897 1.242 19.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 169.676 0.418 19.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 169.606 1.738 18.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 169.406 0.159 18.144 1.00 0.00 H new ATOM 282 N HIS A 18 172.458 4.982 13.161 1.00 0.00 N ATOM 283 CA HIS A 18 173.163 5.377 11.946 1.00 0.00 C ATOM 284 C HIS A 18 172.189 5.953 10.914 1.00 0.00 C ATOM 285 O HIS A 18 172.407 5.836 9.707 1.00 0.00 O ATOM 286 CB HIS A 18 173.907 4.176 11.354 1.00 0.00 C ATOM 287 CG HIS A 18 175.240 4.527 10.771 1.00 0.00 C ATOM 288 ND1 HIS A 18 176.424 4.388 11.462 1.00 0.00 N ATOM 289 CD2 HIS A 18 175.573 5.013 9.552 1.00 0.00 C ATOM 290 CE1 HIS A 18 177.427 4.774 10.694 1.00 0.00 C ATOM 291 NE2 HIS A 18 176.938 5.157 9.530 1.00 0.00 N ATOM 0 H HIS A 18 171.502 4.663 13.005 1.00 0.00 H new ATOM 0 HA HIS A 18 173.885 6.151 12.206 1.00 0.00 H new ATOM 0 HB2 HIS A 18 174.046 3.425 12.132 1.00 0.00 H new ATOM 0 HB3 HIS A 18 173.289 3.722 10.580 1.00 0.00 H new ATOM 0 HD1 HIS A 18 176.512 4.041 12.417 1.00 0.00 H new ATOM 0 HD2 HIS A 18 174.892 5.244 8.747 1.00 0.00 H new ATOM 0 HE1 HIS A 18 178.471 4.776 10.972 1.00 0.00 H new ATOM 300 N ALA A 19 171.115 6.580 11.399 1.00 0.00 N ATOM 301 CA ALA A 19 170.108 7.176 10.524 1.00 0.00 C ATOM 302 C ALA A 19 170.607 8.483 9.924 1.00 0.00 C ATOM 303 O ALA A 19 170.388 8.757 8.746 1.00 0.00 O ATOM 304 CB ALA A 19 168.810 7.409 11.285 1.00 0.00 C ATOM 0 H ALA A 19 170.922 6.687 12.395 1.00 0.00 H new ATOM 0 HA ALA A 19 169.918 6.478 9.709 1.00 0.00 H new ATOM 0 HB1 ALA A 19 168.072 7.853 10.618 1.00 0.00 H new ATOM 0 HB2 ALA A 19 168.433 6.458 11.661 1.00 0.00 H new ATOM 0 HB3 ALA A 19 168.995 8.083 12.122 1.00 0.00 H new ATOM 310 N ALA A 20 171.283 9.282 10.744 1.00 0.00 N ATOM 311 CA ALA A 20 171.821 10.564 10.294 1.00 0.00 C ATOM 312 C ALA A 20 172.989 10.363 9.331 1.00 0.00 C ATOM 313 O ALA A 20 173.145 11.113 8.367 1.00 0.00 O ATOM 314 CB ALA A 20 172.255 11.408 11.483 1.00 0.00 C ATOM 0 H ALA A 20 171.472 9.066 11.723 1.00 0.00 H new ATOM 0 HA ALA A 20 171.029 11.091 9.761 1.00 0.00 H new ATOM 0 HB1 ALA A 20 172.653 12.359 11.128 1.00 0.00 H new ATOM 0 HB2 ALA A 20 171.398 11.592 12.131 1.00 0.00 H new ATOM 0 HB3 ALA A 20 173.026 10.878 12.043 1.00 0.00 H new ATOM 320 N TYR A 21 173.806 9.344 9.596 1.00 0.00 N ATOM 321 CA TYR A 21 174.956 9.046 8.752 1.00 0.00 C ATOM 322 C TYR A 21 174.536 8.326 7.468 1.00 0.00 C ATOM 323 O TYR A 21 175.136 8.532 6.412 1.00 0.00 O ATOM 324 CB TYR A 21 175.975 8.206 9.523 1.00 0.00 C ATOM 325 CG TYR A 21 176.911 9.030 10.380 1.00 0.00 C ATOM 326 CD1 TYR A 21 177.967 9.731 9.811 1.00 0.00 C ATOM 327 CD2 TYR A 21 176.739 9.106 11.757 1.00 0.00 C ATOM 328 CE1 TYR A 21 178.826 10.482 10.589 1.00 0.00 C ATOM 329 CE2 TYR A 21 177.593 9.857 12.542 1.00 0.00 C ATOM 330 CZ TYR A 21 178.635 10.543 11.954 1.00 0.00 C ATOM 331 OH TYR A 21 179.491 11.288 12.733 1.00 0.00 O ATOM 0 H TYR A 21 173.690 8.713 10.389 1.00 0.00 H new ATOM 0 HA TYR A 21 175.417 9.992 8.468 1.00 0.00 H new ATOM 0 HB2 TYR A 21 175.444 7.497 10.158 1.00 0.00 H new ATOM 0 HB3 TYR A 21 176.563 7.622 8.815 1.00 0.00 H new ATOM 0 HD1 TYR A 21 178.119 9.688 8.743 1.00 0.00 H new ATOM 0 HD2 TYR A 21 175.925 8.569 12.221 1.00 0.00 H new ATOM 0 HE1 TYR A 21 179.643 11.019 10.131 1.00 0.00 H new ATOM 0 HE2 TYR A 21 177.445 9.907 13.611 1.00 0.00 H new ATOM 0 HH TYR A 21 179.217 11.226 13.672 1.00 0.00 H new ATOM 341 N ALA A 22 173.500 7.487 7.562 1.00 0.00 N ATOM 342 CA ALA A 22 173.003 6.746 6.400 1.00 0.00 C ATOM 343 C ALA A 22 171.711 7.356 5.843 1.00 0.00 C ATOM 344 O ALA A 22 170.957 6.684 5.135 1.00 0.00 O ATOM 345 CB ALA A 22 172.783 5.282 6.760 1.00 0.00 C ATOM 0 H ALA A 22 172.991 7.305 8.427 1.00 0.00 H new ATOM 0 HA ALA A 22 173.761 6.813 5.620 1.00 0.00 H new ATOM 0 HB1 ALA A 22 172.414 4.744 5.887 1.00 0.00 H new ATOM 0 HB2 ALA A 22 173.726 4.842 7.086 1.00 0.00 H new ATOM 0 HB3 ALA A 22 172.052 5.211 7.566 1.00 0.00 H new ATOM 351 N TRP A 23 171.460 8.631 6.155 1.00 0.00 N ATOM 352 CA TRP A 23 170.261 9.316 5.675 1.00 0.00 C ATOM 353 C TRP A 23 170.278 9.456 4.149 1.00 0.00 C ATOM 354 O TRP A 23 169.327 9.053 3.478 1.00 0.00 O ATOM 355 CB TRP A 23 170.128 10.694 6.331 1.00 0.00 C ATOM 356 CG TRP A 23 168.717 11.051 6.694 1.00 0.00 C ATOM 357 CD1 TRP A 23 167.940 10.458 7.649 1.00 0.00 C ATOM 358 CD2 TRP A 23 167.914 12.084 6.109 1.00 0.00 C ATOM 359 NE1 TRP A 23 166.707 11.062 7.696 1.00 0.00 N ATOM 360 CE2 TRP A 23 166.667 12.063 6.761 1.00 0.00 C ATOM 361 CE3 TRP A 23 168.131 13.027 5.100 1.00 0.00 C ATOM 362 CZ2 TRP A 23 165.641 12.947 6.435 1.00 0.00 C ATOM 363 CZ3 TRP A 23 167.112 13.904 4.778 1.00 0.00 C ATOM 364 CH2 TRP A 23 165.882 13.859 5.444 1.00 0.00 C ATOM 0 H TRP A 23 172.070 9.206 6.736 1.00 0.00 H new ATOM 0 HA TRP A 23 169.398 8.711 5.952 1.00 0.00 H new ATOM 0 HB2 TRP A 23 170.744 10.720 7.230 1.00 0.00 H new ATOM 0 HB3 TRP A 23 170.522 11.450 5.652 1.00 0.00 H new ATOM 0 HD1 TRP A 23 168.250 9.635 8.275 1.00 0.00 H new ATOM 0 HE1 TRP A 23 165.945 10.807 8.325 1.00 0.00 H new ATOM 0 HE3 TRP A 23 169.077 13.070 4.582 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 164.690 12.914 6.946 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 167.268 14.636 3.999 1.00 0.00 H new ATOM 0 HH2 TRP A 23 165.107 14.559 5.170 1.00 0.00 H new ATOM 375 N PRO A 24 171.364 10.023 3.574 1.00 0.00 N ATOM 376 CA PRO A 24 171.483 10.196 2.123 1.00 0.00 C ATOM 377 C PRO A 24 171.872 8.903 1.398 1.00 0.00 C ATOM 378 O PRO A 24 171.907 8.865 0.166 1.00 0.00 O ATOM 379 CB PRO A 24 172.592 11.236 1.991 1.00 0.00 C ATOM 380 CG PRO A 24 173.463 11.012 3.180 1.00 0.00 C ATOM 381 CD PRO A 24 172.558 10.532 4.286 1.00 0.00 C ATOM 0 HA PRO A 24 170.536 10.491 1.670 1.00 0.00 H new ATOM 0 HB2 PRO A 24 173.148 11.106 1.063 1.00 0.00 H new ATOM 0 HB3 PRO A 24 172.187 12.248 1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 24 174.235 10.274 2.962 1.00 0.00 H new ATOM 0 HG3 PRO A 24 173.973 11.932 3.467 1.00 0.00 H new ATOM 0 HD2 PRO A 24 173.032 9.751 4.880 1.00 0.00 H new ATOM 0 HD3 PRO A 24 172.301 11.340 4.971 1.00 0.00 H new ATOM 389 N PHE A 25 172.163 7.850 2.165 1.00 0.00 N ATOM 390 CA PHE A 25 172.547 6.562 1.595 1.00 0.00 C ATOM 391 C PHE A 25 171.409 5.543 1.728 1.00 0.00 C ATOM 392 O PHE A 25 171.650 4.363 1.980 1.00 0.00 O ATOM 393 CB PHE A 25 173.809 6.037 2.292 1.00 0.00 C ATOM 394 CG PHE A 25 175.067 6.197 1.481 1.00 0.00 C ATOM 395 CD1 PHE A 25 175.620 7.451 1.268 1.00 0.00 C ATOM 396 CD2 PHE A 25 175.701 5.090 0.940 1.00 0.00 C ATOM 397 CE1 PHE A 25 176.780 7.596 0.530 1.00 0.00 C ATOM 398 CE2 PHE A 25 176.860 5.229 0.201 1.00 0.00 C ATOM 399 CZ PHE A 25 177.401 6.484 -0.004 1.00 0.00 C ATOM 0 H PHE A 25 172.139 7.867 3.185 1.00 0.00 H new ATOM 0 HA PHE A 25 172.755 6.704 0.534 1.00 0.00 H new ATOM 0 HB2 PHE A 25 173.932 6.559 3.241 1.00 0.00 H new ATOM 0 HB3 PHE A 25 173.671 4.981 2.525 1.00 0.00 H new ATOM 0 HD1 PHE A 25 175.139 8.324 1.683 1.00 0.00 H new ATOM 0 HD2 PHE A 25 175.284 4.106 1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 25 177.200 8.578 0.371 1.00 0.00 H new ATOM 0 HE2 PHE A 25 177.343 4.358 -0.216 1.00 0.00 H new ATOM 0 HZ PHE A 25 178.307 6.595 -0.581 1.00 0.00 H new ATOM 409 N TYR A 26 170.169 6.005 1.556 1.00 0.00 N ATOM 410 CA TYR A 26 169.002 5.130 1.656 1.00 0.00 C ATOM 411 C TYR A 26 168.197 5.142 0.357 1.00 0.00 C ATOM 412 O TYR A 26 167.996 4.099 -0.266 1.00 0.00 O ATOM 413 CB TYR A 26 168.112 5.554 2.831 1.00 0.00 C ATOM 414 CG TYR A 26 167.658 4.399 3.700 1.00 0.00 C ATOM 415 CD1 TYR A 26 166.599 3.586 3.313 1.00 0.00 C ATOM 416 CD2 TYR A 26 168.288 4.123 4.908 1.00 0.00 C ATOM 417 CE1 TYR A 26 166.181 2.533 4.104 1.00 0.00 C ATOM 418 CE2 TYR A 26 167.875 3.072 5.704 1.00 0.00 C ATOM 419 CZ TYR A 26 166.822 2.280 5.298 1.00 0.00 C ATOM 420 OH TYR A 26 166.406 1.233 6.089 1.00 0.00 O ATOM 0 H TYR A 26 169.948 6.979 1.347 1.00 0.00 H new ATOM 0 HA TYR A 26 169.357 4.115 1.831 1.00 0.00 H new ATOM 0 HB2 TYR A 26 168.656 6.269 3.448 1.00 0.00 H new ATOM 0 HB3 TYR A 26 167.235 6.071 2.442 1.00 0.00 H new ATOM 0 HD1 TYR A 26 166.094 3.781 2.378 1.00 0.00 H new ATOM 0 HD2 TYR A 26 169.114 4.740 5.230 1.00 0.00 H new ATOM 0 HE1 TYR A 26 165.356 1.911 3.788 1.00 0.00 H new ATOM 0 HE2 TYR A 26 168.375 2.872 6.640 1.00 0.00 H new ATOM 0 HH TYR A 26 166.963 1.190 6.895 1.00 0.00 H new ATOM 430 N LYS A 27 167.746 6.331 -0.048 1.00 0.00 N ATOM 431 CA LYS A 27 166.968 6.481 -1.278 1.00 0.00 C ATOM 432 C LYS A 27 167.850 6.265 -2.512 1.00 0.00 C ATOM 433 O LYS A 27 169.032 6.616 -2.507 1.00 0.00 O ATOM 434 CB LYS A 27 166.312 7.866 -1.336 1.00 0.00 C ATOM 435 CG LYS A 27 167.277 9.017 -1.084 1.00 0.00 C ATOM 436 CD LYS A 27 167.099 10.129 -2.105 1.00 0.00 C ATOM 437 CE LYS A 27 166.268 11.275 -1.546 1.00 0.00 C ATOM 438 NZ LYS A 27 166.550 12.561 -2.244 1.00 0.00 N ATOM 0 H LYS A 27 167.906 7.202 0.457 1.00 0.00 H new ATOM 0 HA LYS A 27 166.186 5.722 -1.275 1.00 0.00 H new ATOM 0 HB2 LYS A 27 165.852 7.998 -2.315 1.00 0.00 H new ATOM 0 HB3 LYS A 27 165.510 7.909 -0.599 1.00 0.00 H new ATOM 0 HG2 LYS A 27 167.117 9.414 -0.081 1.00 0.00 H new ATOM 0 HG3 LYS A 27 168.302 8.648 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 27 168.076 10.503 -2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 27 166.617 9.731 -2.997 1.00 0.00 H new ATOM 0 HE2 LYS A 27 165.209 11.035 -1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 27 166.475 11.387 -0.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 165.963 13.315 -1.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 167.555 12.804 -2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 166.329 12.463 -3.255 1.00 0.00 H new ATOM 452 N PRO A 28 167.284 5.679 -3.587 1.00 0.00 N ATOM 453 CA PRO A 28 168.026 5.414 -4.826 1.00 0.00 C ATOM 454 C PRO A 28 168.222 6.670 -5.676 1.00 0.00 C ATOM 455 O PRO A 28 167.824 7.768 -5.279 1.00 0.00 O ATOM 456 CB PRO A 28 167.134 4.407 -5.551 1.00 0.00 C ATOM 457 CG PRO A 28 165.753 4.731 -5.095 1.00 0.00 C ATOM 458 CD PRO A 28 165.881 5.224 -3.677 1.00 0.00 C ATOM 0 HA PRO A 28 169.036 5.054 -4.630 1.00 0.00 H new ATOM 0 HB2 PRO A 28 167.227 4.502 -6.633 1.00 0.00 H new ATOM 0 HB3 PRO A 28 167.405 3.382 -5.297 1.00 0.00 H new ATOM 0 HG2 PRO A 28 165.302 5.492 -5.732 1.00 0.00 H new ATOM 0 HG3 PRO A 28 165.111 3.852 -5.145 1.00 0.00 H new ATOM 0 HD2 PRO A 28 165.183 6.036 -3.471 1.00 0.00 H new ATOM 0 HD3 PRO A 28 165.670 4.433 -2.958 1.00 0.00 H new ATOM 466 N VAL A 29 168.836 6.499 -6.847 1.00 0.00 N ATOM 467 CA VAL A 29 169.081 7.617 -7.753 1.00 0.00 C ATOM 468 C VAL A 29 168.250 7.485 -9.031 1.00 0.00 C ATOM 469 O VAL A 29 168.751 7.059 -10.074 1.00 0.00 O ATOM 470 CB VAL A 29 170.579 7.741 -8.114 1.00 0.00 C ATOM 471 CG1 VAL A 29 171.374 8.236 -6.915 1.00 0.00 C ATOM 472 CG2 VAL A 29 171.134 6.415 -8.620 1.00 0.00 C ATOM 0 H VAL A 29 169.172 5.598 -7.188 1.00 0.00 H new ATOM 0 HA VAL A 29 168.778 8.523 -7.227 1.00 0.00 H new ATOM 0 HB VAL A 29 170.675 8.470 -8.919 1.00 0.00 H new ATOM 0 HG11 VAL A 29 172.427 8.318 -7.185 1.00 0.00 H new ATOM 0 HG12 VAL A 29 171.001 9.213 -6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 29 171.265 7.532 -6.090 1.00 0.00 H new ATOM 0 HG21 VAL A 29 172.189 6.532 -8.866 1.00 0.00 H new ATOM 0 HG22 VAL A 29 171.024 5.656 -7.846 1.00 0.00 H new ATOM 0 HG23 VAL A 29 170.586 6.107 -9.510 1.00 0.00 H new ATOM 482 N ASP A 30 166.971 7.857 -8.937 1.00 0.00 N ATOM 483 CA ASP A 30 166.055 7.787 -10.076 1.00 0.00 C ATOM 484 C ASP A 30 166.564 8.636 -11.240 1.00 0.00 C ATOM 485 O ASP A 30 166.471 9.863 -11.209 1.00 0.00 O ATOM 486 CB ASP A 30 164.657 8.263 -9.663 1.00 0.00 C ATOM 487 CG ASP A 30 163.693 7.118 -9.420 1.00 0.00 C ATOM 488 OD1 ASP A 30 163.554 6.256 -10.314 1.00 0.00 O ATOM 489 OD2 ASP A 30 163.072 7.087 -8.337 1.00 0.00 O ATOM 0 H ASP A 30 166.546 8.211 -8.080 1.00 0.00 H new ATOM 0 HA ASP A 30 166.001 6.748 -10.401 1.00 0.00 H new ATOM 0 HB2 ASP A 30 164.736 8.864 -8.757 1.00 0.00 H new ATOM 0 HB3 ASP A 30 164.255 8.911 -10.441 1.00 0.00 H new ATOM 494 N VAL A 31 167.106 7.978 -12.263 1.00 0.00 N ATOM 495 CA VAL A 31 167.631 8.682 -13.431 1.00 0.00 C ATOM 496 C VAL A 31 166.530 9.457 -14.163 1.00 0.00 C ATOM 497 O VAL A 31 166.756 10.576 -14.621 1.00 0.00 O ATOM 498 CB VAL A 31 168.333 7.713 -14.412 1.00 0.00 C ATOM 499 CG1 VAL A 31 167.369 6.658 -14.941 1.00 0.00 C ATOM 500 CG2 VAL A 31 168.976 8.479 -15.560 1.00 0.00 C ATOM 0 H VAL A 31 167.193 6.963 -12.307 1.00 0.00 H new ATOM 0 HA VAL A 31 168.369 9.394 -13.062 1.00 0.00 H new ATOM 0 HB VAL A 31 169.118 7.196 -13.860 1.00 0.00 H new ATOM 0 HG11 VAL A 31 167.896 5.995 -15.627 1.00 0.00 H new ATOM 0 HG12 VAL A 31 166.972 6.078 -14.108 1.00 0.00 H new ATOM 0 HG13 VAL A 31 166.548 7.146 -15.467 1.00 0.00 H new ATOM 0 HG21 VAL A 31 169.464 7.778 -16.237 1.00 0.00 H new ATOM 0 HG22 VAL A 31 168.210 9.033 -16.102 1.00 0.00 H new ATOM 0 HG23 VAL A 31 169.716 9.175 -15.164 1.00 0.00 H new ATOM 510 N GLU A 32 165.343 8.857 -14.268 1.00 0.00 N ATOM 511 CA GLU A 32 164.212 9.498 -14.942 1.00 0.00 C ATOM 512 C GLU A 32 163.638 10.648 -14.110 1.00 0.00 C ATOM 513 O GLU A 32 163.367 11.727 -14.638 1.00 0.00 O ATOM 514 CB GLU A 32 163.118 8.469 -15.239 1.00 0.00 C ATOM 515 CG GLU A 32 163.558 7.387 -16.214 1.00 0.00 C ATOM 516 CD GLU A 32 163.141 5.996 -15.776 1.00 0.00 C ATOM 517 OE1 GLU A 32 161.937 5.787 -15.518 1.00 0.00 O ATOM 518 OE2 GLU A 32 164.022 5.114 -15.692 1.00 0.00 O ATOM 0 H GLU A 32 165.140 7.929 -13.896 1.00 0.00 H new ATOM 0 HA GLU A 32 164.579 9.914 -15.880 1.00 0.00 H new ATOM 0 HB2 GLU A 32 162.805 8.002 -14.305 1.00 0.00 H new ATOM 0 HB3 GLU A 32 162.247 8.982 -15.646 1.00 0.00 H new ATOM 0 HG2 GLU A 32 163.135 7.596 -17.196 1.00 0.00 H new ATOM 0 HG3 GLU A 32 164.642 7.420 -16.321 1.00 0.00 H new ATOM 525 N ALA A 33 163.443 10.406 -12.812 1.00 0.00 N ATOM 526 CA ALA A 33 162.886 11.419 -11.914 1.00 0.00 C ATOM 527 C ALA A 33 163.883 12.542 -11.627 1.00 0.00 C ATOM 528 O ALA A 33 163.537 13.721 -11.714 1.00 0.00 O ATOM 529 CB ALA A 33 162.425 10.782 -10.609 1.00 0.00 C ATOM 0 H ALA A 33 163.662 9.518 -12.360 1.00 0.00 H new ATOM 0 HA ALA A 33 162.028 11.861 -12.420 1.00 0.00 H new ATOM 0 HB1 ALA A 33 162.014 11.550 -9.954 1.00 0.00 H new ATOM 0 HB2 ALA A 33 161.658 10.036 -10.819 1.00 0.00 H new ATOM 0 HB3 ALA A 33 163.272 10.303 -10.119 1.00 0.00 H new ATOM 535 N LEU A 34 165.115 12.174 -11.274 1.00 0.00 N ATOM 536 CA LEU A 34 166.149 13.162 -10.961 1.00 0.00 C ATOM 537 C LEU A 34 166.807 13.726 -12.224 1.00 0.00 C ATOM 538 O LEU A 34 167.390 14.811 -12.187 1.00 0.00 O ATOM 539 CB LEU A 34 167.222 12.543 -10.062 1.00 0.00 C ATOM 540 CG LEU A 34 166.715 11.959 -8.741 1.00 0.00 C ATOM 541 CD1 LEU A 34 167.762 11.036 -8.134 1.00 0.00 C ATOM 542 CD2 LEU A 34 166.351 13.075 -7.770 1.00 0.00 C ATOM 0 H LEU A 34 165.421 11.204 -11.198 1.00 0.00 H new ATOM 0 HA LEU A 34 165.658 13.984 -10.440 1.00 0.00 H new ATOM 0 HB2 LEU A 34 167.727 11.754 -10.619 1.00 0.00 H new ATOM 0 HB3 LEU A 34 167.969 13.305 -9.840 1.00 0.00 H new ATOM 0 HG LEU A 34 165.817 11.375 -8.940 1.00 0.00 H new ATOM 0 HD11 LEU A 34 167.387 10.628 -7.195 1.00 0.00 H new ATOM 0 HD12 LEU A 34 167.973 10.220 -8.825 1.00 0.00 H new ATOM 0 HD13 LEU A 34 168.677 11.598 -7.946 1.00 0.00 H new ATOM 0 HD21 LEU A 34 165.992 12.642 -6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 34 167.231 13.687 -7.572 1.00 0.00 H new ATOM 0 HD23 LEU A 34 165.568 13.696 -8.206 1.00 0.00 H new ATOM 554 N GLY A 35 166.715 12.992 -13.334 1.00 0.00 N ATOM 555 CA GLY A 35 167.314 13.448 -14.578 1.00 0.00 C ATOM 556 C GLY A 35 168.829 13.374 -14.553 1.00 0.00 C ATOM 557 O GLY A 35 169.504 14.388 -14.734 1.00 0.00 O ATOM 0 H GLY A 35 166.238 12.093 -13.393 1.00 0.00 H new ATOM 0 HA2 GLY A 35 166.937 12.843 -15.403 1.00 0.00 H new ATOM 0 HA3 GLY A 35 167.007 14.476 -14.771 1.00 0.00 H new ATOM 561 N LEU A 36 169.365 12.174 -14.327 1.00 0.00 N ATOM 562 CA LEU A 36 170.814 11.982 -14.277 1.00 0.00 C ATOM 563 C LEU A 36 171.253 10.804 -15.151 1.00 0.00 C ATOM 564 O LEU A 36 171.578 9.728 -14.646 1.00 0.00 O ATOM 565 CB LEU A 36 171.287 11.775 -12.827 1.00 0.00 C ATOM 566 CG LEU A 36 170.348 10.959 -11.926 1.00 0.00 C ATOM 567 CD1 LEU A 36 170.720 9.484 -11.953 1.00 0.00 C ATOM 568 CD2 LEU A 36 170.387 11.491 -10.500 1.00 0.00 C ATOM 0 H LEU A 36 168.821 11.325 -14.176 1.00 0.00 H new ATOM 0 HA LEU A 36 171.278 12.886 -14.671 1.00 0.00 H new ATOM 0 HB2 LEU A 36 172.258 11.281 -12.849 1.00 0.00 H new ATOM 0 HB3 LEU A 36 171.437 12.754 -12.371 1.00 0.00 H new ATOM 0 HG LEU A 36 169.333 11.061 -12.309 1.00 0.00 H new ATOM 0 HD11 LEU A 36 170.042 8.926 -11.308 1.00 0.00 H new ATOM 0 HD12 LEU A 36 170.642 9.108 -12.973 1.00 0.00 H new ATOM 0 HD13 LEU A 36 171.743 9.360 -11.597 1.00 0.00 H new ATOM 0 HD21 LEU A 36 169.717 10.903 -9.874 1.00 0.00 H new ATOM 0 HD22 LEU A 36 171.403 11.418 -10.112 1.00 0.00 H new ATOM 0 HD23 LEU A 36 170.069 12.534 -10.492 1.00 0.00 H new ATOM 580 N HIS A 37 171.273 11.016 -16.468 1.00 0.00 N ATOM 581 CA HIS A 37 171.684 9.968 -17.405 1.00 0.00 C ATOM 582 C HIS A 37 173.201 9.741 -17.374 1.00 0.00 C ATOM 583 O HIS A 37 173.703 8.812 -18.011 1.00 0.00 O ATOM 584 CB HIS A 37 171.236 10.308 -18.831 1.00 0.00 C ATOM 585 CG HIS A 37 170.217 9.357 -19.382 1.00 0.00 C ATOM 586 ND1 HIS A 37 170.310 7.987 -19.242 1.00 0.00 N ATOM 587 CD2 HIS A 37 169.076 9.585 -20.075 1.00 0.00 C ATOM 588 CE1 HIS A 37 169.271 7.415 -19.824 1.00 0.00 C ATOM 589 NE2 HIS A 37 168.508 8.362 -20.337 1.00 0.00 N ATOM 0 H HIS A 37 171.011 11.898 -16.908 1.00 0.00 H new ATOM 0 HA HIS A 37 171.198 9.045 -17.089 1.00 0.00 H new ATOM 0 HB2 HIS A 37 170.823 11.317 -18.843 1.00 0.00 H new ATOM 0 HB3 HIS A 37 172.108 10.313 -19.485 1.00 0.00 H new ATOM 0 HD2 HIS A 37 168.686 10.549 -20.367 1.00 0.00 H new ATOM 0 HE1 HIS A 37 169.079 6.353 -19.872 1.00 0.00 H new ATOM 0 HE2 HIS A 37 167.637 8.210 -20.846 1.00 0.00 H new ATOM 598 N ASP A 38 173.929 10.581 -16.628 1.00 0.00 N ATOM 599 CA ASP A 38 175.382 10.451 -16.523 1.00 0.00 C ATOM 600 C ASP A 38 175.771 9.297 -15.597 1.00 0.00 C ATOM 601 O ASP A 38 176.894 8.796 -15.664 1.00 0.00 O ATOM 602 CB ASP A 38 176.001 11.756 -16.009 1.00 0.00 C ATOM 603 CG ASP A 38 176.118 12.818 -17.088 1.00 0.00 C ATOM 604 OD1 ASP A 38 175.089 13.145 -17.716 1.00 0.00 O ATOM 605 OD2 ASP A 38 177.239 13.326 -17.299 1.00 0.00 O ATOM 0 H ASP A 38 173.535 11.354 -16.091 1.00 0.00 H new ATOM 0 HA ASP A 38 175.767 10.238 -17.520 1.00 0.00 H new ATOM 0 HB2 ASP A 38 175.394 12.142 -15.190 1.00 0.00 H new ATOM 0 HB3 ASP A 38 176.991 11.548 -15.602 1.00 0.00 H new ATOM 610 N TYR A 39 174.839 8.876 -14.736 1.00 0.00 N ATOM 611 CA TYR A 39 175.093 7.778 -13.805 1.00 0.00 C ATOM 612 C TYR A 39 175.482 6.503 -14.554 1.00 0.00 C ATOM 613 O TYR A 39 176.391 5.787 -14.136 1.00 0.00 O ATOM 614 CB TYR A 39 173.861 7.516 -12.938 1.00 0.00 C ATOM 615 CG TYR A 39 174.184 7.291 -11.477 1.00 0.00 C ATOM 616 CD1 TYR A 39 174.623 6.052 -11.025 1.00 0.00 C ATOM 617 CD2 TYR A 39 174.045 8.317 -10.550 1.00 0.00 C ATOM 618 CE1 TYR A 39 174.914 5.843 -9.691 1.00 0.00 C ATOM 619 CE2 TYR A 39 174.334 8.115 -9.214 1.00 0.00 C ATOM 620 CZ TYR A 39 174.767 6.876 -8.790 1.00 0.00 C ATOM 621 OH TYR A 39 175.053 6.670 -7.460 1.00 0.00 O ATOM 0 H TYR A 39 173.905 9.279 -14.666 1.00 0.00 H new ATOM 0 HA TYR A 39 175.924 8.069 -13.163 1.00 0.00 H new ATOM 0 HB2 TYR A 39 173.180 8.362 -13.024 1.00 0.00 H new ATOM 0 HB3 TYR A 39 173.335 6.643 -13.324 1.00 0.00 H new ATOM 0 HD1 TYR A 39 174.738 5.240 -11.728 1.00 0.00 H new ATOM 0 HD2 TYR A 39 173.706 9.288 -10.879 1.00 0.00 H new ATOM 0 HE1 TYR A 39 175.255 4.875 -9.355 1.00 0.00 H new ATOM 0 HE2 TYR A 39 174.221 8.923 -8.506 1.00 0.00 H new ATOM 0 HH TYR A 39 174.898 7.499 -6.960 1.00 0.00 H new ATOM 631 N CYS A 40 174.793 6.231 -15.665 1.00 0.00 N ATOM 632 CA CYS A 40 175.076 5.047 -16.476 1.00 0.00 C ATOM 633 C CYS A 40 176.482 5.123 -17.068 1.00 0.00 C ATOM 634 O CYS A 40 177.201 4.124 -17.113 1.00 0.00 O ATOM 635 CB CYS A 40 174.046 4.904 -17.601 1.00 0.00 C ATOM 636 SG CYS A 40 173.881 3.220 -18.242 1.00 0.00 S ATOM 0 H CYS A 40 174.036 6.814 -16.022 1.00 0.00 H new ATOM 0 HA CYS A 40 175.014 4.173 -15.828 1.00 0.00 H new ATOM 0 HB2 CYS A 40 173.075 5.239 -17.235 1.00 0.00 H new ATOM 0 HB3 CYS A 40 174.324 5.567 -18.420 1.00 0.00 H new ATOM 0 HG CYS A 40 172.987 3.201 -19.186 1.00 0.00 H new ATOM 642 N ASP A 41 176.868 6.321 -17.514 1.00 0.00 N ATOM 643 CA ASP A 41 178.189 6.539 -18.096 1.00 0.00 C ATOM 644 C ASP A 41 179.286 6.314 -17.054 1.00 0.00 C ATOM 645 O ASP A 41 180.295 5.667 -17.337 1.00 0.00 O ATOM 646 CB ASP A 41 178.295 7.956 -18.670 1.00 0.00 C ATOM 647 CG ASP A 41 179.468 8.115 -19.619 1.00 0.00 C ATOM 648 OD1 ASP A 41 180.598 8.337 -19.135 1.00 0.00 O ATOM 649 OD2 ASP A 41 179.256 8.018 -20.846 1.00 0.00 O ATOM 0 H ASP A 41 176.281 7.155 -17.482 1.00 0.00 H new ATOM 0 HA ASP A 41 178.325 5.820 -18.904 1.00 0.00 H new ATOM 0 HB2 ASP A 41 177.372 8.201 -19.195 1.00 0.00 H new ATOM 0 HB3 ASP A 41 178.395 8.669 -17.852 1.00 0.00 H new ATOM 654 N ILE A 42 179.077 6.849 -15.849 1.00 0.00 N ATOM 655 CA ILE A 42 180.047 6.703 -14.765 1.00 0.00 C ATOM 656 C ILE A 42 180.059 5.272 -14.227 1.00 0.00 C ATOM 657 O ILE A 42 181.117 4.649 -14.125 1.00 0.00 O ATOM 658 CB ILE A 42 179.757 7.675 -13.597 1.00 0.00 C ATOM 659 CG1 ILE A 42 179.614 9.112 -14.110 1.00 0.00 C ATOM 660 CG2 ILE A 42 180.862 7.595 -12.551 1.00 0.00 C ATOM 661 CD1 ILE A 42 178.782 9.996 -13.205 1.00 0.00 C ATOM 0 H ILE A 42 178.246 7.386 -15.601 1.00 0.00 H new ATOM 0 HA ILE A 42 181.022 6.943 -15.188 1.00 0.00 H new ATOM 0 HB ILE A 42 178.816 7.380 -13.134 1.00 0.00 H new ATOM 0 HG12 ILE A 42 180.606 9.550 -14.221 1.00 0.00 H new ATOM 0 HG13 ILE A 42 179.162 9.092 -15.101 1.00 0.00 H new ATOM 0 HG21 ILE A 42 180.642 8.285 -11.736 1.00 0.00 H new ATOM 0 HG22 ILE A 42 180.920 6.579 -12.160 1.00 0.00 H new ATOM 0 HG23 ILE A 42 181.815 7.864 -13.007 1.00 0.00 H new ATOM 0 HD11 ILE A 42 178.723 10.998 -13.629 1.00 0.00 H new ATOM 0 HD12 ILE A 42 177.778 9.581 -13.114 1.00 0.00 H new ATOM 0 HD13 ILE A 42 179.245 10.046 -12.220 1.00 0.00 H new ATOM 673 N ILE A 43 178.877 4.759 -13.884 1.00 0.00 N ATOM 674 CA ILE A 43 178.748 3.404 -13.355 1.00 0.00 C ATOM 675 C ILE A 43 177.696 2.612 -14.133 1.00 0.00 C ATOM 676 O ILE A 43 176.494 2.815 -13.952 1.00 0.00 O ATOM 677 CB ILE A 43 178.376 3.414 -11.852 1.00 0.00 C ATOM 678 CG1 ILE A 43 179.342 4.306 -11.065 1.00 0.00 C ATOM 679 CG2 ILE A 43 178.380 1.998 -11.286 1.00 0.00 C ATOM 680 CD1 ILE A 43 178.680 5.075 -9.943 1.00 0.00 C ATOM 0 H ILE A 43 177.994 5.264 -13.964 1.00 0.00 H new ATOM 0 HA ILE A 43 179.719 2.922 -13.470 1.00 0.00 H new ATOM 0 HB ILE A 43 177.370 3.821 -11.753 1.00 0.00 H new ATOM 0 HG12 ILE A 43 180.138 3.688 -10.650 1.00 0.00 H new ATOM 0 HG13 ILE A 43 179.811 5.012 -11.750 1.00 0.00 H new ATOM 0 HG21 ILE A 43 178.116 2.028 -10.229 1.00 0.00 H new ATOM 0 HG22 ILE A 43 177.654 1.389 -11.824 1.00 0.00 H new ATOM 0 HG23 ILE A 43 179.373 1.563 -11.400 1.00 0.00 H new ATOM 0 HD11 ILE A 43 179.425 5.684 -9.431 1.00 0.00 H new ATOM 0 HD12 ILE A 43 177.903 5.720 -10.353 1.00 0.00 H new ATOM 0 HD13 ILE A 43 178.235 4.375 -9.236 1.00 0.00 H new ATOM 692 N LYS A 44 178.160 1.709 -14.999 1.00 0.00 N ATOM 693 CA LYS A 44 177.264 0.879 -15.811 1.00 0.00 C ATOM 694 C LYS A 44 176.335 0.032 -14.935 1.00 0.00 C ATOM 695 O LYS A 44 175.214 -0.282 -15.336 1.00 0.00 O ATOM 696 CB LYS A 44 178.072 -0.031 -16.743 1.00 0.00 C ATOM 697 CG LYS A 44 179.003 -0.989 -16.014 1.00 0.00 C ATOM 698 CD LYS A 44 179.688 -1.947 -16.976 1.00 0.00 C ATOM 699 CE LYS A 44 179.859 -3.326 -16.358 1.00 0.00 C ATOM 700 NZ LYS A 44 180.485 -4.294 -17.304 1.00 0.00 N ATOM 0 H LYS A 44 179.152 1.533 -15.157 1.00 0.00 H new ATOM 0 HA LYS A 44 176.649 1.551 -16.410 1.00 0.00 H new ATOM 0 HB2 LYS A 44 177.382 -0.608 -17.359 1.00 0.00 H new ATOM 0 HB3 LYS A 44 178.661 0.589 -17.419 1.00 0.00 H new ATOM 0 HG2 LYS A 44 179.756 -0.420 -15.468 1.00 0.00 H new ATOM 0 HG3 LYS A 44 178.436 -1.557 -15.276 1.00 0.00 H new ATOM 0 HD2 LYS A 44 179.102 -2.027 -17.891 1.00 0.00 H new ATOM 0 HD3 LYS A 44 180.663 -1.549 -17.256 1.00 0.00 H new ATOM 0 HE2 LYS A 44 180.474 -3.247 -15.462 1.00 0.00 H new ATOM 0 HE3 LYS A 44 178.886 -3.705 -16.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 180.582 -5.220 -16.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 179.886 -4.391 -18.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 181.425 -3.947 -17.584 1.00 0.00 H new ATOM 714 N HIS A 45 176.809 -0.332 -13.740 1.00 0.00 N ATOM 715 CA HIS A 45 176.022 -1.137 -12.810 1.00 0.00 C ATOM 716 C HIS A 45 175.599 -0.301 -11.597 1.00 0.00 C ATOM 717 O HIS A 45 176.231 -0.357 -10.540 1.00 0.00 O ATOM 718 CB HIS A 45 176.834 -2.356 -12.357 1.00 0.00 C ATOM 719 CG HIS A 45 176.022 -3.607 -12.212 1.00 0.00 C ATOM 720 ND1 HIS A 45 176.193 -4.714 -13.018 1.00 0.00 N ATOM 721 CD2 HIS A 45 175.036 -3.927 -11.341 1.00 0.00 C ATOM 722 CE1 HIS A 45 175.346 -5.660 -12.649 1.00 0.00 C ATOM 723 NE2 HIS A 45 174.634 -5.208 -11.634 1.00 0.00 N ATOM 0 H HIS A 45 177.736 -0.080 -13.396 1.00 0.00 H new ATOM 0 HA HIS A 45 175.122 -1.479 -13.321 1.00 0.00 H new ATOM 0 HB2 HIS A 45 177.634 -2.535 -13.076 1.00 0.00 H new ATOM 0 HB3 HIS A 45 177.308 -2.130 -11.402 1.00 0.00 H new ATOM 0 HD2 HIS A 45 174.639 -3.294 -10.561 1.00 0.00 H new ATOM 0 HE1 HIS A 45 175.253 -6.636 -13.101 1.00 0.00 H new ATOM 0 HE2 HIS A 45 173.903 -5.726 -11.146 1.00 0.00 H new ATOM 732 N PRO A 46 174.519 0.496 -11.737 1.00 0.00 N ATOM 733 CA PRO A 46 174.017 1.350 -10.651 1.00 0.00 C ATOM 734 C PRO A 46 173.383 0.546 -9.517 1.00 0.00 C ATOM 735 O PRO A 46 172.665 -0.427 -9.760 1.00 0.00 O ATOM 736 CB PRO A 46 172.970 2.226 -11.344 1.00 0.00 C ATOM 737 CG PRO A 46 172.510 1.415 -12.504 1.00 0.00 C ATOM 738 CD PRO A 46 173.707 0.630 -12.962 1.00 0.00 C ATOM 0 HA PRO A 46 174.818 1.916 -10.176 1.00 0.00 H new ATOM 0 HB2 PRO A 46 172.144 2.462 -10.673 1.00 0.00 H new ATOM 0 HB3 PRO A 46 173.398 3.174 -11.668 1.00 0.00 H new ATOM 0 HG2 PRO A 46 171.695 0.751 -12.217 1.00 0.00 H new ATOM 0 HG3 PRO A 46 172.134 2.055 -13.303 1.00 0.00 H new ATOM 0 HD2 PRO A 46 173.420 -0.343 -13.362 1.00 0.00 H new ATOM 0 HD3 PRO A 46 174.251 1.151 -13.750 1.00 0.00 H new ATOM 746 N MET A 47 173.657 0.957 -8.279 1.00 0.00 N ATOM 747 CA MET A 47 173.120 0.274 -7.105 1.00 0.00 C ATOM 748 C MET A 47 172.914 1.247 -5.944 1.00 0.00 C ATOM 749 O MET A 47 173.753 2.112 -5.688 1.00 0.00 O ATOM 750 CB MET A 47 174.061 -0.858 -6.680 1.00 0.00 C ATOM 751 CG MET A 47 173.443 -1.833 -5.690 1.00 0.00 C ATOM 752 SD MET A 47 172.010 -2.698 -6.363 1.00 0.00 S ATOM 753 CE MET A 47 172.682 -4.343 -6.595 1.00 0.00 C ATOM 0 H MET A 47 174.248 1.760 -8.064 1.00 0.00 H new ATOM 0 HA MET A 47 172.150 -0.144 -7.372 1.00 0.00 H new ATOM 0 HB2 MET A 47 174.377 -1.407 -7.567 1.00 0.00 H new ATOM 0 HB3 MET A 47 174.958 -0.425 -6.237 1.00 0.00 H new ATOM 0 HG2 MET A 47 174.194 -2.563 -5.389 1.00 0.00 H new ATOM 0 HG3 MET A 47 173.146 -1.292 -4.791 1.00 0.00 H new ATOM 0 HE1 MET A 47 171.912 -4.996 -7.007 1.00 0.00 H new ATOM 0 HE2 MET A 47 173.526 -4.298 -7.284 1.00 0.00 H new ATOM 0 HE3 MET A 47 173.017 -4.738 -5.636 1.00 0.00 H new ATOM 763 N ASP A 48 171.792 1.093 -5.243 1.00 0.00 N ATOM 764 CA ASP A 48 171.467 1.950 -4.104 1.00 0.00 C ATOM 765 C ASP A 48 170.918 1.122 -2.944 1.00 0.00 C ATOM 766 O ASP A 48 170.525 -0.030 -3.131 1.00 0.00 O ATOM 767 CB ASP A 48 170.441 3.013 -4.510 1.00 0.00 C ATOM 768 CG ASP A 48 170.895 3.844 -5.696 1.00 0.00 C ATOM 769 OD1 ASP A 48 171.803 4.682 -5.522 1.00 0.00 O ATOM 770 OD2 ASP A 48 170.337 3.659 -6.798 1.00 0.00 O ATOM 0 H ASP A 48 171.091 0.380 -5.445 1.00 0.00 H new ATOM 0 HA ASP A 48 172.383 2.444 -3.781 1.00 0.00 H new ATOM 0 HB2 ASP A 48 169.497 2.526 -4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 48 170.251 3.671 -3.662 1.00 0.00 H new ATOM 775 N MET A 49 170.883 1.715 -1.748 1.00 0.00 N ATOM 776 CA MET A 49 170.369 1.024 -0.561 1.00 0.00 C ATOM 777 C MET A 49 168.978 0.451 -0.829 1.00 0.00 C ATOM 778 O MET A 49 168.677 -0.676 -0.432 1.00 0.00 O ATOM 779 CB MET A 49 170.319 1.975 0.640 1.00 0.00 C ATOM 780 CG MET A 49 170.635 1.302 1.969 1.00 0.00 C ATOM 781 SD MET A 49 172.385 1.398 2.400 1.00 0.00 S ATOM 782 CE MET A 49 172.304 2.232 3.985 1.00 0.00 C ATOM 0 H MET A 49 171.203 2.668 -1.575 1.00 0.00 H new ATOM 0 HA MET A 49 171.048 0.203 -0.330 1.00 0.00 H new ATOM 0 HB2 MET A 49 171.026 2.788 0.478 1.00 0.00 H new ATOM 0 HB3 MET A 49 169.327 2.422 0.697 1.00 0.00 H new ATOM 0 HG2 MET A 49 170.045 1.769 2.757 1.00 0.00 H new ATOM 0 HG3 MET A 49 170.333 0.256 1.922 1.00 0.00 H new ATOM 0 HE1 MET A 49 173.192 2.851 4.116 1.00 0.00 H new ATOM 0 HE2 MET A 49 171.415 2.861 4.020 1.00 0.00 H new ATOM 0 HE3 MET A 49 172.256 1.492 4.784 1.00 0.00 H new ATOM 792 N SER A 50 168.140 1.230 -1.517 1.00 0.00 N ATOM 793 CA SER A 50 166.785 0.797 -1.853 1.00 0.00 C ATOM 794 C SER A 50 166.818 -0.392 -2.814 1.00 0.00 C ATOM 795 O SER A 50 166.013 -1.318 -2.697 1.00 0.00 O ATOM 796 CB SER A 50 165.996 1.956 -2.475 1.00 0.00 C ATOM 797 OG SER A 50 164.775 1.508 -3.042 1.00 0.00 O ATOM 0 H SER A 50 168.378 2.164 -1.852 1.00 0.00 H new ATOM 0 HA SER A 50 166.289 0.484 -0.934 1.00 0.00 H new ATOM 0 HB2 SER A 50 165.790 2.708 -1.713 1.00 0.00 H new ATOM 0 HB3 SER A 50 166.600 2.438 -3.244 1.00 0.00 H new ATOM 0 HG SER A 50 164.295 2.270 -3.429 1.00 0.00 H new ATOM 803 N THR A 51 167.756 -0.361 -3.763 1.00 0.00 N ATOM 804 CA THR A 51 167.896 -1.436 -4.742 1.00 0.00 C ATOM 805 C THR A 51 168.457 -2.701 -4.094 1.00 0.00 C ATOM 806 O THR A 51 167.981 -3.806 -4.361 1.00 0.00 O ATOM 807 CB THR A 51 168.798 -0.996 -5.902 1.00 0.00 C ATOM 808 OG1 THR A 51 168.598 0.375 -6.211 1.00 0.00 O ATOM 809 CG2 THR A 51 168.570 -1.793 -7.171 1.00 0.00 C ATOM 0 H THR A 51 168.429 0.398 -3.873 1.00 0.00 H new ATOM 0 HA THR A 51 166.904 -1.661 -5.132 1.00 0.00 H new ATOM 0 HB THR A 51 169.816 -1.173 -5.556 1.00 0.00 H new ATOM 0 HG1 THR A 51 169.185 0.632 -6.952 1.00 0.00 H new ATOM 0 HG21 THR A 51 169.239 -1.432 -7.952 1.00 0.00 H new ATOM 0 HG22 THR A 51 168.771 -2.847 -6.980 1.00 0.00 H new ATOM 0 HG23 THR A 51 167.536 -1.674 -7.495 1.00 0.00 H new ATOM 817 N ILE A 52 169.471 -2.536 -3.242 1.00 0.00 N ATOM 818 CA ILE A 52 170.093 -3.671 -2.562 1.00 0.00 C ATOM 819 C ILE A 52 169.110 -4.349 -1.607 1.00 0.00 C ATOM 820 O ILE A 52 169.004 -5.575 -1.585 1.00 0.00 O ATOM 821 CB ILE A 52 171.354 -3.247 -1.774 1.00 0.00 C ATOM 822 CG1 ILE A 52 172.327 -2.483 -2.679 1.00 0.00 C ATOM 823 CG2 ILE A 52 172.042 -4.465 -1.174 1.00 0.00 C ATOM 824 CD1 ILE A 52 173.108 -1.405 -1.958 1.00 0.00 C ATOM 0 H ILE A 52 169.877 -1.630 -3.008 1.00 0.00 H new ATOM 0 HA ILE A 52 170.387 -4.376 -3.339 1.00 0.00 H new ATOM 0 HB ILE A 52 171.043 -2.587 -0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 52 173.027 -3.190 -3.124 1.00 0.00 H new ATOM 0 HG13 ILE A 52 171.768 -2.029 -3.497 1.00 0.00 H new ATOM 0 HG21 ILE A 52 172.927 -4.148 -0.623 1.00 0.00 H new ATOM 0 HG22 ILE A 52 171.356 -4.974 -0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 52 172.336 -5.147 -1.972 1.00 0.00 H new ATOM 0 HD11 ILE A 52 173.776 -0.907 -2.661 1.00 0.00 H new ATOM 0 HD12 ILE A 52 172.417 -0.676 -1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 52 173.695 -1.855 -1.157 1.00 0.00 H new ATOM 836 N LYS A 53 168.384 -3.549 -0.826 1.00 0.00 N ATOM 837 CA LYS A 53 167.409 -4.089 0.119 1.00 0.00 C ATOM 838 C LYS A 53 166.265 -4.787 -0.616 1.00 0.00 C ATOM 839 O LYS A 53 165.735 -5.787 -0.135 1.00 0.00 O ATOM 840 CB LYS A 53 166.854 -2.985 1.023 1.00 0.00 C ATOM 841 CG LYS A 53 167.376 -3.049 2.450 1.00 0.00 C ATOM 842 CD LYS A 53 166.761 -1.962 3.319 1.00 0.00 C ATOM 843 CE LYS A 53 166.378 -2.493 4.693 1.00 0.00 C ATOM 844 NZ LYS A 53 164.934 -2.859 4.771 1.00 0.00 N ATOM 0 H LYS A 53 168.452 -2.531 -0.829 1.00 0.00 H new ATOM 0 HA LYS A 53 167.922 -4.823 0.741 1.00 0.00 H new ATOM 0 HB2 LYS A 53 167.107 -2.015 0.595 1.00 0.00 H new ATOM 0 HB3 LYS A 53 165.766 -3.052 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 53 167.153 -4.027 2.877 1.00 0.00 H new ATOM 0 HG3 LYS A 53 168.461 -2.943 2.447 1.00 0.00 H new ATOM 0 HD2 LYS A 53 167.469 -1.140 3.430 1.00 0.00 H new ATOM 0 HD3 LYS A 53 165.877 -1.557 2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 53 166.986 -3.367 4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 53 166.602 -1.739 5.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 164.717 -3.216 5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 164.352 -2.020 4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 164.725 -3.597 4.069 1.00 0.00 H new ATOM 858 N SER A 54 165.894 -4.256 -1.786 1.00 0.00 N ATOM 859 CA SER A 54 164.813 -4.833 -2.587 1.00 0.00 C ATOM 860 C SER A 54 165.105 -6.295 -2.929 1.00 0.00 C ATOM 861 O SER A 54 164.205 -7.137 -2.888 1.00 0.00 O ATOM 862 CB SER A 54 164.607 -4.024 -3.872 1.00 0.00 C ATOM 863 OG SER A 54 163.364 -4.335 -4.480 1.00 0.00 O ATOM 0 H SER A 54 166.327 -3.429 -2.197 1.00 0.00 H new ATOM 0 HA SER A 54 163.899 -4.794 -1.995 1.00 0.00 H new ATOM 0 HB2 SER A 54 164.647 -2.959 -3.645 1.00 0.00 H new ATOM 0 HB3 SER A 54 165.418 -4.232 -4.570 1.00 0.00 H new ATOM 0 HG SER A 54 163.257 -3.804 -5.297 1.00 0.00 H new ATOM 869 N LYS A 55 166.366 -6.597 -3.253 1.00 0.00 N ATOM 870 CA LYS A 55 166.766 -7.964 -3.583 1.00 0.00 C ATOM 871 C LYS A 55 166.498 -8.890 -2.399 1.00 0.00 C ATOM 872 O LYS A 55 165.910 -9.960 -2.555 1.00 0.00 O ATOM 873 CB LYS A 55 168.249 -8.011 -3.963 1.00 0.00 C ATOM 874 CG LYS A 55 168.517 -7.696 -5.427 1.00 0.00 C ATOM 875 CD LYS A 55 168.690 -8.965 -6.249 1.00 0.00 C ATOM 876 CE LYS A 55 168.850 -8.655 -7.731 1.00 0.00 C ATOM 877 NZ LYS A 55 170.216 -8.151 -8.056 1.00 0.00 N ATOM 0 H LYS A 55 167.123 -5.915 -3.293 1.00 0.00 H new ATOM 0 HA LYS A 55 166.178 -8.301 -4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 55 168.796 -7.302 -3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 55 168.642 -9.002 -3.736 1.00 0.00 H new ATOM 0 HG2 LYS A 55 167.692 -7.110 -5.831 1.00 0.00 H new ATOM 0 HG3 LYS A 55 169.414 -7.083 -5.510 1.00 0.00 H new ATOM 0 HD2 LYS A 55 169.563 -9.512 -5.895 1.00 0.00 H new ATOM 0 HD3 LYS A 55 167.826 -9.614 -6.104 1.00 0.00 H new ATOM 0 HE2 LYS A 55 168.648 -9.555 -8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 55 168.110 -7.911 -8.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 170.280 -7.953 -9.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 170.400 -7.278 -7.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 170.922 -8.870 -7.798 1.00 0.00 H new ATOM 891 N LEU A 56 166.921 -8.457 -1.213 1.00 0.00 N ATOM 892 CA LEU A 56 166.717 -9.228 0.011 1.00 0.00 C ATOM 893 C LEU A 56 165.224 -9.305 0.358 1.00 0.00 C ATOM 894 O LEU A 56 164.757 -10.310 0.896 1.00 0.00 O ATOM 895 CB LEU A 56 167.510 -8.592 1.163 1.00 0.00 C ATOM 896 CG LEU A 56 167.179 -9.104 2.571 1.00 0.00 C ATOM 897 CD1 LEU A 56 167.968 -10.368 2.881 1.00 0.00 C ATOM 898 CD2 LEU A 56 167.468 -8.029 3.613 1.00 0.00 C ATOM 0 H LEU A 56 167.409 -7.572 -1.074 1.00 0.00 H new ATOM 0 HA LEU A 56 167.078 -10.244 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 56 168.572 -8.754 0.979 1.00 0.00 H new ATOM 0 HB3 LEU A 56 167.343 -7.515 1.141 1.00 0.00 H new ATOM 0 HG LEU A 56 166.116 -9.344 2.606 1.00 0.00 H new ATOM 0 HD11 LEU A 56 167.719 -10.715 3.884 1.00 0.00 H new ATOM 0 HD12 LEU A 56 167.715 -11.142 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 56 169.035 -10.153 2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 56 167.227 -8.410 4.605 1.00 0.00 H new ATOM 0 HD22 LEU A 56 168.523 -7.759 3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 56 166.860 -7.148 3.405 1.00 0.00 H new ATOM 910 N GLU A 57 164.484 -8.237 0.039 1.00 0.00 N ATOM 911 CA GLU A 57 163.045 -8.177 0.309 1.00 0.00 C ATOM 912 C GLU A 57 162.282 -9.233 -0.493 1.00 0.00 C ATOM 913 O GLU A 57 161.367 -9.873 0.025 1.00 0.00 O ATOM 914 CB GLU A 57 162.496 -6.786 -0.024 1.00 0.00 C ATOM 915 CG GLU A 57 162.968 -5.701 0.930 1.00 0.00 C ATOM 916 CD GLU A 57 161.831 -4.857 1.477 1.00 0.00 C ATOM 917 OE1 GLU A 57 160.832 -5.438 1.952 1.00 0.00 O ATOM 918 OE2 GLU A 57 161.944 -3.614 1.436 1.00 0.00 O ATOM 0 H GLU A 57 164.860 -7.401 -0.408 1.00 0.00 H new ATOM 0 HA GLU A 57 162.902 -8.380 1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 57 162.793 -6.521 -1.039 1.00 0.00 H new ATOM 0 HB3 GLU A 57 161.407 -6.822 -0.010 1.00 0.00 H new ATOM 0 HG2 GLU A 57 163.503 -6.162 1.760 1.00 0.00 H new ATOM 0 HG3 GLU A 57 163.678 -5.054 0.414 1.00 0.00 H new ATOM 925 N ALA A 58 162.664 -9.409 -1.760 1.00 0.00 N ATOM 926 CA ALA A 58 162.010 -10.388 -2.631 1.00 0.00 C ATOM 927 C ALA A 58 162.669 -11.773 -2.543 1.00 0.00 C ATOM 928 O ALA A 58 162.438 -12.627 -3.401 1.00 0.00 O ATOM 929 CB ALA A 58 162.009 -9.892 -4.073 1.00 0.00 C ATOM 0 H ALA A 58 163.420 -8.888 -2.204 1.00 0.00 H new ATOM 0 HA ALA A 58 160.982 -10.496 -2.286 1.00 0.00 H new ATOM 0 HB1 ALA A 58 161.520 -10.628 -4.711 1.00 0.00 H new ATOM 0 HB2 ALA A 58 161.470 -8.946 -4.132 1.00 0.00 H new ATOM 0 HB3 ALA A 58 163.036 -9.746 -4.408 1.00 0.00 H new ATOM 935 N ARG A 59 163.493 -11.991 -1.510 1.00 0.00 N ATOM 936 CA ARG A 59 164.185 -13.270 -1.321 1.00 0.00 C ATOM 937 C ARG A 59 165.073 -13.608 -2.523 1.00 0.00 C ATOM 938 O ARG A 59 165.333 -14.781 -2.801 1.00 0.00 O ATOM 939 CB ARG A 59 163.179 -14.403 -1.069 1.00 0.00 C ATOM 940 CG ARG A 59 162.895 -14.656 0.405 1.00 0.00 C ATOM 941 CD ARG A 59 164.035 -15.408 1.078 1.00 0.00 C ATOM 942 NE ARG A 59 164.659 -14.627 2.147 1.00 0.00 N ATOM 943 CZ ARG A 59 164.141 -14.485 3.373 1.00 0.00 C ATOM 944 NH1 ARG A 59 162.986 -15.066 3.692 1.00 0.00 N ATOM 945 NH2 ARG A 59 164.781 -13.757 4.282 1.00 0.00 N ATOM 0 H ARG A 59 163.696 -11.296 -0.792 1.00 0.00 H new ATOM 0 HA ARG A 59 164.825 -13.169 -0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 59 162.243 -14.164 -1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 59 163.559 -15.320 -1.519 1.00 0.00 H new ATOM 0 HG2 ARG A 59 162.736 -13.705 0.913 1.00 0.00 H new ATOM 0 HG3 ARG A 59 161.973 -15.228 0.505 1.00 0.00 H new ATOM 0 HD2 ARG A 59 163.658 -16.345 1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 59 164.787 -15.666 0.333 1.00 0.00 H new ATOM 0 HE ARG A 59 165.544 -14.162 1.945 1.00 0.00 H new ATOM 0 HH11 ARG A 59 162.488 -15.625 2.999 1.00 0.00 H new ATOM 0 HH12 ARG A 59 162.599 -14.952 4.629 1.00 0.00 H new ATOM 0 HH21 ARG A 59 165.665 -13.308 4.045 1.00 0.00 H new ATOM 0 HH22 ARG A 59 164.388 -13.648 5.217 1.00 0.00 H new ATOM 959 N GLU A 60 165.551 -12.577 -3.222 1.00 0.00 N ATOM 960 CA GLU A 60 166.421 -12.770 -4.380 1.00 0.00 C ATOM 961 C GLU A 60 167.854 -13.068 -3.934 1.00 0.00 C ATOM 962 O GLU A 60 168.573 -13.819 -4.595 1.00 0.00 O ATOM 963 CB GLU A 60 166.402 -11.533 -5.284 1.00 0.00 C ATOM 964 CG GLU A 60 165.221 -11.490 -6.243 1.00 0.00 C ATOM 965 CD GLU A 60 165.616 -11.062 -7.646 1.00 0.00 C ATOM 966 OE1 GLU A 60 166.579 -11.638 -8.196 1.00 0.00 O ATOM 967 OE2 GLU A 60 164.961 -10.151 -8.194 1.00 0.00 O ATOM 0 H GLU A 60 165.350 -11.601 -3.005 1.00 0.00 H new ATOM 0 HA GLU A 60 166.045 -13.622 -4.946 1.00 0.00 H new ATOM 0 HB2 GLU A 60 166.384 -10.639 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 60 167.327 -11.501 -5.860 1.00 0.00 H new ATOM 0 HG2 GLU A 60 164.758 -12.476 -6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 60 164.470 -10.801 -5.856 1.00 0.00 H new ATOM 974 N TYR A 61 168.258 -12.480 -2.804 1.00 0.00 N ATOM 975 CA TYR A 61 169.600 -12.688 -2.262 1.00 0.00 C ATOM 976 C TYR A 61 169.793 -14.138 -1.833 1.00 0.00 C ATOM 977 O TYR A 61 169.267 -14.570 -0.806 1.00 0.00 O ATOM 978 CB TYR A 61 169.850 -11.749 -1.076 1.00 0.00 C ATOM 979 CG TYR A 61 170.625 -10.501 -1.442 1.00 0.00 C ATOM 980 CD1 TYR A 61 171.870 -10.589 -2.055 1.00 0.00 C ATOM 981 CD2 TYR A 61 170.112 -9.236 -1.177 1.00 0.00 C ATOM 982 CE1 TYR A 61 172.580 -9.453 -2.393 1.00 0.00 C ATOM 983 CE2 TYR A 61 170.818 -8.098 -1.512 1.00 0.00 C ATOM 984 CZ TYR A 61 172.050 -8.211 -2.119 1.00 0.00 C ATOM 985 OH TYR A 61 172.752 -7.077 -2.454 1.00 0.00 O ATOM 0 H TYR A 61 167.673 -11.856 -2.248 1.00 0.00 H new ATOM 0 HA TYR A 61 170.321 -12.462 -3.048 1.00 0.00 H new ATOM 0 HB2 TYR A 61 168.892 -11.458 -0.646 1.00 0.00 H new ATOM 0 HB3 TYR A 61 170.395 -12.291 -0.303 1.00 0.00 H new ATOM 0 HD1 TYR A 61 172.289 -11.561 -2.270 1.00 0.00 H new ATOM 0 HD2 TYR A 61 169.147 -9.142 -0.702 1.00 0.00 H new ATOM 0 HE1 TYR A 61 173.545 -9.538 -2.870 1.00 0.00 H new ATOM 0 HE2 TYR A 61 170.406 -7.123 -1.299 1.00 0.00 H new ATOM 0 HH TYR A 61 173.400 -7.290 -3.157 1.00 0.00 H new ATOM 995 N ARG A 62 170.556 -14.882 -2.633 1.00 0.00 N ATOM 996 CA ARG A 62 170.832 -16.287 -2.346 1.00 0.00 C ATOM 997 C ARG A 62 171.545 -16.441 -1.003 1.00 0.00 C ATOM 998 O ARG A 62 171.350 -17.437 -0.303 1.00 0.00 O ATOM 999 CB ARG A 62 171.678 -16.902 -3.464 1.00 0.00 C ATOM 1000 CG ARG A 62 171.310 -18.343 -3.787 1.00 0.00 C ATOM 1001 CD ARG A 62 171.906 -18.791 -5.114 1.00 0.00 C ATOM 1002 NE ARG A 62 170.900 -19.373 -6.005 1.00 0.00 N ATOM 1003 CZ ARG A 62 171.071 -19.539 -7.321 1.00 0.00 C ATOM 1004 NH1 ARG A 62 172.208 -19.175 -7.908 1.00 0.00 N ATOM 1005 NH2 ARG A 62 170.099 -20.075 -8.052 1.00 0.00 N ATOM 0 H ARG A 62 170.994 -14.534 -3.486 1.00 0.00 H new ATOM 0 HA ARG A 62 169.880 -16.814 -2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 62 171.569 -16.298 -4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 62 172.729 -16.860 -3.177 1.00 0.00 H new ATOM 0 HG2 ARG A 62 171.664 -18.997 -2.990 1.00 0.00 H new ATOM 0 HG3 ARG A 62 170.225 -18.443 -3.823 1.00 0.00 H new ATOM 0 HD2 ARG A 62 172.375 -17.939 -5.606 1.00 0.00 H new ATOM 0 HD3 ARG A 62 172.692 -19.523 -4.928 1.00 0.00 H new ATOM 0 HE ARG A 62 170.014 -19.670 -5.597 1.00 0.00 H new ATOM 0 HH11 ARG A 62 172.960 -18.765 -7.354 1.00 0.00 H new ATOM 0 HH12 ARG A 62 172.328 -19.306 -8.912 1.00 0.00 H new ATOM 0 HH21 ARG A 62 169.225 -20.359 -7.609 1.00 0.00 H new ATOM 0 HH22 ARG A 62 170.227 -20.203 -9.056 1.00 0.00 H new ATOM 1019 N ASP A 63 172.363 -15.446 -0.643 1.00 0.00 N ATOM 1020 CA ASP A 63 173.094 -15.477 0.624 1.00 0.00 C ATOM 1021 C ASP A 63 173.616 -14.093 1.006 1.00 0.00 C ATOM 1022 O ASP A 63 173.660 -13.181 0.175 1.00 0.00 O ATOM 1023 CB ASP A 63 174.264 -16.467 0.549 1.00 0.00 C ATOM 1024 CG ASP A 63 173.921 -17.820 1.143 1.00 0.00 C ATOM 1025 OD1 ASP A 63 173.489 -17.863 2.316 1.00 0.00 O ATOM 1026 OD2 ASP A 63 174.085 -18.837 0.437 1.00 0.00 O ATOM 0 H ASP A 63 172.534 -14.615 -1.209 1.00 0.00 H new ATOM 0 HA ASP A 63 172.394 -15.803 1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 63 174.560 -16.596 -0.492 1.00 0.00 H new ATOM 0 HB3 ASP A 63 175.123 -16.050 1.076 1.00 0.00 H new ATOM 1031 N ALA A 64 174.024 -13.950 2.271 1.00 0.00 N ATOM 1032 CA ALA A 64 174.560 -12.684 2.771 1.00 0.00 C ATOM 1033 C ALA A 64 175.919 -12.369 2.141 1.00 0.00 C ATOM 1034 O ALA A 64 176.348 -11.213 2.129 1.00 0.00 O ATOM 1035 CB ALA A 64 174.677 -12.713 4.289 1.00 0.00 C ATOM 0 H ALA A 64 173.993 -14.696 2.966 1.00 0.00 H new ATOM 0 HA ALA A 64 173.864 -11.894 2.488 1.00 0.00 H new ATOM 0 HB1 ALA A 64 175.078 -11.762 4.641 1.00 0.00 H new ATOM 0 HB2 ALA A 64 173.692 -12.876 4.727 1.00 0.00 H new ATOM 0 HB3 ALA A 64 175.345 -13.521 4.587 1.00 0.00 H new ATOM 1041 N GLN A 65 176.587 -13.398 1.608 1.00 0.00 N ATOM 1042 CA GLN A 65 177.889 -13.220 0.969 1.00 0.00 C ATOM 1043 C GLN A 65 177.760 -12.309 -0.250 1.00 0.00 C ATOM 1044 O GLN A 65 178.601 -11.436 -0.473 1.00 0.00 O ATOM 1045 CB GLN A 65 178.474 -14.576 0.550 1.00 0.00 C ATOM 1046 CG GLN A 65 179.504 -15.131 1.522 1.00 0.00 C ATOM 1047 CD GLN A 65 180.698 -14.212 1.700 1.00 0.00 C ATOM 1048 OE1 GLN A 65 181.360 -13.842 0.730 1.00 0.00 O ATOM 1049 NE2 GLN A 65 180.980 -13.837 2.942 1.00 0.00 N ATOM 0 H GLN A 65 176.246 -14.359 1.608 1.00 0.00 H new ATOM 0 HA GLN A 65 178.564 -12.756 1.688 1.00 0.00 H new ATOM 0 HB2 GLN A 65 177.661 -15.295 0.448 1.00 0.00 H new ATOM 0 HB3 GLN A 65 178.935 -14.474 -0.433 1.00 0.00 H new ATOM 0 HG2 GLN A 65 179.031 -15.297 2.490 1.00 0.00 H new ATOM 0 HG3 GLN A 65 179.848 -16.102 1.165 1.00 0.00 H new ATOM 0 HE21 GLN A 65 180.405 -14.167 3.717 1.00 0.00 H new ATOM 0 HE22 GLN A 65 181.771 -13.219 3.121 1.00 0.00 H new ATOM 1058 N GLU A 66 176.694 -12.507 -1.026 1.00 0.00 N ATOM 1059 CA GLU A 66 176.446 -11.692 -2.213 1.00 0.00 C ATOM 1060 C GLU A 66 176.066 -10.261 -1.823 1.00 0.00 C ATOM 1061 O GLU A 66 176.411 -9.308 -2.523 1.00 0.00 O ATOM 1062 CB GLU A 66 175.335 -12.312 -3.065 1.00 0.00 C ATOM 1063 CG GLU A 66 175.838 -13.325 -4.082 1.00 0.00 C ATOM 1064 CD GLU A 66 174.733 -14.217 -4.620 1.00 0.00 C ATOM 1065 OE1 GLU A 66 173.745 -13.679 -5.164 1.00 0.00 O ATOM 1066 OE2 GLU A 66 174.856 -15.454 -4.498 1.00 0.00 O ATOM 0 H GLU A 66 175.990 -13.224 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 66 177.366 -11.660 -2.797 1.00 0.00 H new ATOM 0 HB2 GLU A 66 174.613 -12.798 -2.408 1.00 0.00 H new ATOM 0 HB3 GLU A 66 174.804 -11.517 -3.589 1.00 0.00 H new ATOM 0 HG2 GLU A 66 176.309 -12.797 -4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 66 176.607 -13.945 -3.621 1.00 0.00 H new ATOM 1073 N PHE A 67 175.356 -10.120 -0.700 1.00 0.00 N ATOM 1074 CA PHE A 67 174.929 -8.807 -0.213 1.00 0.00 C ATOM 1075 C PHE A 67 176.130 -7.902 0.040 1.00 0.00 C ATOM 1076 O PHE A 67 176.196 -6.787 -0.481 1.00 0.00 O ATOM 1077 CB PHE A 67 174.101 -8.955 1.070 1.00 0.00 C ATOM 1078 CG PHE A 67 173.231 -7.764 1.379 1.00 0.00 C ATOM 1079 CD1 PHE A 67 173.794 -6.531 1.674 1.00 0.00 C ATOM 1080 CD2 PHE A 67 171.850 -7.880 1.378 1.00 0.00 C ATOM 1081 CE1 PHE A 67 172.995 -5.439 1.958 1.00 0.00 C ATOM 1082 CE2 PHE A 67 171.047 -6.791 1.662 1.00 0.00 C ATOM 1083 CZ PHE A 67 171.620 -5.569 1.952 1.00 0.00 C ATOM 0 H PHE A 67 175.065 -10.900 -0.111 1.00 0.00 H new ATOM 0 HA PHE A 67 174.309 -8.347 -0.983 1.00 0.00 H new ATOM 0 HB2 PHE A 67 173.470 -9.840 0.983 1.00 0.00 H new ATOM 0 HB3 PHE A 67 174.776 -9.126 1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 67 174.869 -6.423 1.682 1.00 0.00 H new ATOM 0 HD2 PHE A 67 171.395 -8.833 1.152 1.00 0.00 H new ATOM 0 HE1 PHE A 67 173.446 -4.484 2.185 1.00 0.00 H new ATOM 0 HE2 PHE A 67 169.972 -6.896 1.657 1.00 0.00 H new ATOM 0 HZ PHE A 67 170.995 -4.717 2.174 1.00 0.00 H new ATOM 1093 N GLY A 68 177.080 -8.391 0.837 1.00 0.00 N ATOM 1094 CA GLY A 68 178.271 -7.617 1.140 1.00 0.00 C ATOM 1095 C GLY A 68 179.076 -7.284 -0.104 1.00 0.00 C ATOM 1096 O GLY A 68 179.651 -6.200 -0.201 1.00 0.00 O ATOM 0 H GLY A 68 177.044 -9.310 1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 68 177.983 -6.693 1.641 1.00 0.00 H new ATOM 0 HA3 GLY A 68 178.897 -8.176 1.836 1.00 0.00 H new ATOM 1100 N ALA A 69 179.109 -8.220 -1.058 1.00 0.00 N ATOM 1101 CA ALA A 69 179.845 -8.026 -2.308 1.00 0.00 C ATOM 1102 C ALA A 69 179.315 -6.825 -3.095 1.00 0.00 C ATOM 1103 O ALA A 69 180.087 -6.100 -3.726 1.00 0.00 O ATOM 1104 CB ALA A 69 179.780 -9.285 -3.163 1.00 0.00 C ATOM 0 H ALA A 69 178.634 -9.120 -0.987 1.00 0.00 H new ATOM 0 HA ALA A 69 180.884 -7.823 -2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 69 180.332 -9.125 -4.089 1.00 0.00 H new ATOM 0 HB2 ALA A 69 180.221 -10.119 -2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 69 178.740 -9.514 -3.395 1.00 0.00 H new ATOM 1110 N ASP A 70 177.997 -6.620 -3.055 1.00 0.00 N ATOM 1111 CA ASP A 70 177.373 -5.505 -3.767 1.00 0.00 C ATOM 1112 C ASP A 70 177.592 -4.186 -3.027 1.00 0.00 C ATOM 1113 O ASP A 70 177.830 -3.150 -3.650 1.00 0.00 O ATOM 1114 CB ASP A 70 175.872 -5.758 -3.962 1.00 0.00 C ATOM 1115 CG ASP A 70 175.595 -6.951 -4.861 1.00 0.00 C ATOM 1116 OD1 ASP A 70 176.300 -7.107 -5.881 1.00 0.00 O ATOM 1117 OD2 ASP A 70 174.670 -7.728 -4.546 1.00 0.00 O ATOM 0 H ASP A 70 177.344 -7.209 -2.539 1.00 0.00 H new ATOM 0 HA ASP A 70 177.846 -5.431 -4.746 1.00 0.00 H new ATOM 0 HB2 ASP A 70 175.405 -5.923 -2.991 1.00 0.00 H new ATOM 0 HB3 ASP A 70 175.410 -4.869 -4.391 1.00 0.00 H new ATOM 1122 N VAL A 71 177.518 -4.228 -1.696 1.00 0.00 N ATOM 1123 CA VAL A 71 177.715 -3.031 -0.883 1.00 0.00 C ATOM 1124 C VAL A 71 179.159 -2.538 -0.977 1.00 0.00 C ATOM 1125 O VAL A 71 179.399 -1.349 -1.198 1.00 0.00 O ATOM 1126 CB VAL A 71 177.348 -3.275 0.596 1.00 0.00 C ATOM 1127 CG1 VAL A 71 177.473 -1.988 1.400 1.00 0.00 C ATOM 1128 CG2 VAL A 71 175.941 -3.846 0.713 1.00 0.00 C ATOM 0 H VAL A 71 177.324 -5.075 -1.162 1.00 0.00 H new ATOM 0 HA VAL A 71 177.048 -2.266 -1.280 1.00 0.00 H new ATOM 0 HB VAL A 71 178.048 -4.003 1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 71 177.210 -2.182 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 71 178.499 -1.624 1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 71 176.800 -1.236 0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 71 175.701 -4.011 1.763 1.00 0.00 H new ATOM 0 HG22 VAL A 71 175.226 -3.144 0.284 1.00 0.00 H new ATOM 0 HG23 VAL A 71 175.887 -4.793 0.176 1.00 0.00 H new ATOM 1138 N ARG A 72 180.120 -3.455 -0.820 1.00 0.00 N ATOM 1139 CA ARG A 72 181.539 -3.099 -0.901 1.00 0.00 C ATOM 1140 C ARG A 72 181.870 -2.491 -2.268 1.00 0.00 C ATOM 1141 O ARG A 72 182.715 -1.600 -2.370 1.00 0.00 O ATOM 1142 CB ARG A 72 182.429 -4.320 -0.630 1.00 0.00 C ATOM 1143 CG ARG A 72 182.207 -5.480 -1.589 1.00 0.00 C ATOM 1144 CD ARG A 72 183.483 -5.852 -2.329 1.00 0.00 C ATOM 1145 NE ARG A 72 183.259 -6.015 -3.765 1.00 0.00 N ATOM 1146 CZ ARG A 72 184.070 -6.697 -4.579 1.00 0.00 C ATOM 1147 NH1 ARG A 72 185.163 -7.293 -4.106 1.00 0.00 N ATOM 1148 NH2 ARG A 72 183.785 -6.785 -5.873 1.00 0.00 N ATOM 0 H ARG A 72 179.942 -4.443 -0.637 1.00 0.00 H new ATOM 0 HA ARG A 72 181.740 -2.352 -0.133 1.00 0.00 H new ATOM 0 HB2 ARG A 72 183.474 -4.013 -0.685 1.00 0.00 H new ATOM 0 HB3 ARG A 72 182.251 -4.666 0.388 1.00 0.00 H new ATOM 0 HG2 ARG A 72 181.842 -6.345 -1.035 1.00 0.00 H new ATOM 0 HG3 ARG A 72 181.433 -5.214 -2.309 1.00 0.00 H new ATOM 0 HD2 ARG A 72 184.235 -5.080 -2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 72 183.883 -6.779 -1.918 1.00 0.00 H new ATOM 0 HE ARG A 72 182.431 -5.580 -4.171 1.00 0.00 H new ATOM 0 HH11 ARG A 72 185.388 -7.232 -3.113 1.00 0.00 H new ATOM 0 HH12 ARG A 72 185.775 -7.811 -4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 72 182.949 -6.333 -6.243 1.00 0.00 H new ATOM 0 HH22 ARG A 72 184.402 -7.305 -6.497 1.00 0.00 H new ATOM 1162 N LEU A 73 181.188 -2.969 -3.312 1.00 0.00 N ATOM 1163 CA LEU A 73 181.396 -2.463 -4.668 1.00 0.00 C ATOM 1164 C LEU A 73 180.814 -1.057 -4.809 1.00 0.00 C ATOM 1165 O LEU A 73 181.430 -0.177 -5.416 1.00 0.00 O ATOM 1166 CB LEU A 73 180.751 -3.407 -5.689 1.00 0.00 C ATOM 1167 CG LEU A 73 181.082 -3.113 -7.156 1.00 0.00 C ATOM 1168 CD1 LEU A 73 181.218 -4.410 -7.940 1.00 0.00 C ATOM 1169 CD2 LEU A 73 180.014 -2.221 -7.777 1.00 0.00 C ATOM 0 H LEU A 73 180.487 -3.706 -3.242 1.00 0.00 H new ATOM 0 HA LEU A 73 182.468 -2.415 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 73 181.061 -4.427 -5.462 1.00 0.00 H new ATOM 0 HB3 LEU A 73 179.669 -3.367 -5.563 1.00 0.00 H new ATOM 0 HG LEU A 73 182.035 -2.585 -7.196 1.00 0.00 H new ATOM 0 HD11 LEU A 73 181.453 -4.184 -8.980 1.00 0.00 H new ATOM 0 HD12 LEU A 73 182.018 -5.013 -7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 73 180.280 -4.964 -7.892 1.00 0.00 H new ATOM 0 HD21 LEU A 73 180.266 -2.023 -8.819 1.00 0.00 H new ATOM 0 HD22 LEU A 73 179.047 -2.722 -7.726 1.00 0.00 H new ATOM 0 HD23 LEU A 73 179.964 -1.279 -7.231 1.00 0.00 H new ATOM 1181 N MET A 74 179.623 -0.854 -4.238 1.00 0.00 N ATOM 1182 CA MET A 74 178.949 0.442 -4.288 1.00 0.00 C ATOM 1183 C MET A 74 179.793 1.529 -3.627 1.00 0.00 C ATOM 1184 O MET A 74 179.958 2.613 -4.183 1.00 0.00 O ATOM 1185 CB MET A 74 177.581 0.361 -3.603 1.00 0.00 C ATOM 1186 CG MET A 74 176.801 1.671 -3.618 1.00 0.00 C ATOM 1187 SD MET A 74 177.009 2.604 -5.151 1.00 0.00 S ATOM 1188 CE MET A 74 176.659 1.346 -6.378 1.00 0.00 C ATOM 0 H MET A 74 179.106 -1.575 -3.735 1.00 0.00 H new ATOM 0 HA MET A 74 178.810 0.703 -5.337 1.00 0.00 H new ATOM 0 HB2 MET A 74 176.986 -0.410 -4.093 1.00 0.00 H new ATOM 0 HB3 MET A 74 177.722 0.046 -2.569 1.00 0.00 H new ATOM 0 HG2 MET A 74 175.742 1.458 -3.470 1.00 0.00 H new ATOM 0 HG3 MET A 74 177.122 2.287 -2.778 1.00 0.00 H new ATOM 0 HE1 MET A 74 177.530 1.211 -7.020 1.00 0.00 H new ATOM 0 HE2 MET A 74 176.427 0.405 -5.879 1.00 0.00 H new ATOM 0 HE3 MET A 74 175.807 1.655 -6.983 1.00 0.00 H new ATOM 1198 N PHE A 75 180.325 1.234 -2.440 1.00 0.00 N ATOM 1199 CA PHE A 75 181.151 2.195 -1.712 1.00 0.00 C ATOM 1200 C PHE A 75 182.327 2.670 -2.566 1.00 0.00 C ATOM 1201 O PHE A 75 182.666 3.855 -2.563 1.00 0.00 O ATOM 1202 CB PHE A 75 181.662 1.582 -0.405 1.00 0.00 C ATOM 1203 CG PHE A 75 180.716 1.760 0.749 1.00 0.00 C ATOM 1204 CD1 PHE A 75 180.512 3.011 1.310 1.00 0.00 C ATOM 1205 CD2 PHE A 75 180.028 0.677 1.271 1.00 0.00 C ATOM 1206 CE1 PHE A 75 179.639 3.177 2.368 1.00 0.00 C ATOM 1207 CE2 PHE A 75 179.155 0.837 2.330 1.00 0.00 C ATOM 1208 CZ PHE A 75 178.960 2.089 2.878 1.00 0.00 C ATOM 0 H PHE A 75 180.199 0.340 -1.965 1.00 0.00 H new ATOM 0 HA PHE A 75 180.529 3.059 -1.477 1.00 0.00 H new ATOM 0 HB2 PHE A 75 181.841 0.518 -0.557 1.00 0.00 H new ATOM 0 HB3 PHE A 75 182.621 2.033 -0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 75 181.041 3.866 0.916 1.00 0.00 H new ATOM 0 HD2 PHE A 75 180.176 -0.304 0.845 1.00 0.00 H new ATOM 0 HE1 PHE A 75 179.488 4.157 2.796 1.00 0.00 H new ATOM 0 HE2 PHE A 75 178.626 -0.016 2.728 1.00 0.00 H new ATOM 0 HZ PHE A 75 178.277 2.217 3.705 1.00 0.00 H new ATOM 1218 N SER A 76 182.940 1.740 -3.302 1.00 0.00 N ATOM 1219 CA SER A 76 184.072 2.067 -4.168 1.00 0.00 C ATOM 1220 C SER A 76 183.631 2.947 -5.338 1.00 0.00 C ATOM 1221 O SER A 76 184.324 3.898 -5.704 1.00 0.00 O ATOM 1222 CB SER A 76 184.732 0.790 -4.701 1.00 0.00 C ATOM 1223 OG SER A 76 185.769 1.092 -5.621 1.00 0.00 O ATOM 0 H SER A 76 182.671 0.756 -3.315 1.00 0.00 H new ATOM 0 HA SER A 76 184.797 2.619 -3.570 1.00 0.00 H new ATOM 0 HB2 SER A 76 185.137 0.213 -3.870 1.00 0.00 H new ATOM 0 HB3 SER A 76 183.982 0.166 -5.187 1.00 0.00 H new ATOM 0 HG SER A 76 186.173 0.259 -5.943 1.00 0.00 H new ATOM 1229 N ASN A 77 182.478 2.621 -5.924 1.00 0.00 N ATOM 1230 CA ASN A 77 181.951 3.381 -7.057 1.00 0.00 C ATOM 1231 C ASN A 77 181.404 4.735 -6.613 1.00 0.00 C ATOM 1232 O ASN A 77 181.561 5.733 -7.317 1.00 0.00 O ATOM 1233 CB ASN A 77 180.863 2.583 -7.782 1.00 0.00 C ATOM 1234 CG ASN A 77 181.443 1.607 -8.787 1.00 0.00 C ATOM 1235 OD1 ASN A 77 181.489 1.886 -9.985 1.00 0.00 O ATOM 1236 ND2 ASN A 77 181.895 0.456 -8.303 1.00 0.00 N ATOM 0 H ASN A 77 181.893 1.838 -5.633 1.00 0.00 H new ATOM 0 HA ASN A 77 182.776 3.560 -7.747 1.00 0.00 H new ATOM 0 HB2 ASN A 77 180.267 2.037 -7.051 1.00 0.00 H new ATOM 0 HB3 ASN A 77 180.190 3.271 -8.293 1.00 0.00 H new ATOM 0 HD21 ASN A 77 182.300 -0.238 -8.932 1.00 0.00 H new ATOM 0 HD22 ASN A 77 181.837 0.266 -7.303 1.00 0.00 H new ATOM 1243 N CYS A 78 180.767 4.768 -5.442 1.00 0.00 N ATOM 1244 CA CYS A 78 180.204 6.008 -4.909 1.00 0.00 C ATOM 1245 C CYS A 78 181.284 7.075 -4.744 1.00 0.00 C ATOM 1246 O CYS A 78 181.033 8.261 -4.961 1.00 0.00 O ATOM 1247 CB CYS A 78 179.514 5.753 -3.568 1.00 0.00 C ATOM 1248 SG CYS A 78 178.024 6.744 -3.309 1.00 0.00 S ATOM 0 H CYS A 78 180.628 3.952 -4.846 1.00 0.00 H new ATOM 0 HA CYS A 78 179.466 6.372 -5.623 1.00 0.00 H new ATOM 0 HB2 CYS A 78 179.252 4.697 -3.501 1.00 0.00 H new ATOM 0 HB3 CYS A 78 180.219 5.959 -2.763 1.00 0.00 H new ATOM 0 HG CYS A 78 177.548 6.510 -2.122 1.00 0.00 H new ATOM 1254 N TYR A 79 182.489 6.644 -4.364 1.00 0.00 N ATOM 1255 CA TYR A 79 183.612 7.562 -4.177 1.00 0.00 C ATOM 1256 C TYR A 79 183.920 8.328 -5.464 1.00 0.00 C ATOM 1257 O TYR A 79 184.358 9.478 -5.419 1.00 0.00 O ATOM 1258 CB TYR A 79 184.855 6.798 -3.715 1.00 0.00 C ATOM 1259 CG TYR A 79 186.009 7.696 -3.323 1.00 0.00 C ATOM 1260 CD1 TYR A 79 185.984 8.408 -2.131 1.00 0.00 C ATOM 1261 CD2 TYR A 79 187.120 7.835 -4.148 1.00 0.00 C ATOM 1262 CE1 TYR A 79 187.032 9.232 -1.771 1.00 0.00 C ATOM 1263 CE2 TYR A 79 188.172 8.657 -3.794 1.00 0.00 C ATOM 1264 CZ TYR A 79 188.123 9.353 -2.605 1.00 0.00 C ATOM 1265 OH TYR A 79 189.169 10.173 -2.247 1.00 0.00 O ATOM 0 H TYR A 79 182.711 5.666 -4.180 1.00 0.00 H new ATOM 0 HA TYR A 79 183.329 8.282 -3.409 1.00 0.00 H new ATOM 0 HB2 TYR A 79 184.590 6.170 -2.865 1.00 0.00 H new ATOM 0 HB3 TYR A 79 185.180 6.132 -4.514 1.00 0.00 H new ATOM 0 HD1 TYR A 79 185.131 8.316 -1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 79 187.161 7.291 -5.080 1.00 0.00 H new ATOM 0 HE1 TYR A 79 186.997 9.779 -0.840 1.00 0.00 H new ATOM 0 HE2 TYR A 79 189.028 8.754 -4.445 1.00 0.00 H new ATOM 0 HH TYR A 79 189.859 10.146 -2.942 1.00 0.00 H new ATOM 1275 N LYS A 80 183.683 7.687 -6.610 1.00 0.00 N ATOM 1276 CA LYS A 80 183.928 8.313 -7.907 1.00 0.00 C ATOM 1277 C LYS A 80 183.046 9.550 -8.087 1.00 0.00 C ATOM 1278 O LYS A 80 183.472 10.545 -8.673 1.00 0.00 O ATOM 1279 CB LYS A 80 183.676 7.310 -9.039 1.00 0.00 C ATOM 1280 CG LYS A 80 184.049 7.833 -10.418 1.00 0.00 C ATOM 1281 CD LYS A 80 184.062 6.721 -11.458 1.00 0.00 C ATOM 1282 CE LYS A 80 185.338 5.895 -11.381 1.00 0.00 C ATOM 1283 NZ LYS A 80 185.109 4.563 -10.751 1.00 0.00 N ATOM 0 H LYS A 80 183.322 6.735 -6.664 1.00 0.00 H new ATOM 0 HA LYS A 80 184.971 8.628 -7.944 1.00 0.00 H new ATOM 0 HB2 LYS A 80 184.244 6.401 -8.840 1.00 0.00 H new ATOM 0 HB3 LYS A 80 182.622 7.033 -9.039 1.00 0.00 H new ATOM 0 HG2 LYS A 80 183.340 8.604 -10.719 1.00 0.00 H new ATOM 0 HG3 LYS A 80 185.032 8.303 -10.375 1.00 0.00 H new ATOM 0 HD2 LYS A 80 183.199 6.072 -11.308 1.00 0.00 H new ATOM 0 HD3 LYS A 80 183.967 7.153 -12.454 1.00 0.00 H new ATOM 0 HE2 LYS A 80 185.740 5.756 -12.385 1.00 0.00 H new ATOM 0 HE3 LYS A 80 186.089 6.441 -10.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 185.780 3.873 -11.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 185.251 4.636 -9.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 184.136 4.250 -10.945 1.00 0.00 H new ATOM 1297 N TYR A 81 181.818 9.481 -7.569 1.00 0.00 N ATOM 1298 CA TYR A 81 180.878 10.597 -7.662 1.00 0.00 C ATOM 1299 C TYR A 81 181.106 11.605 -6.530 1.00 0.00 C ATOM 1300 O TYR A 81 180.959 12.811 -6.729 1.00 0.00 O ATOM 1301 CB TYR A 81 179.435 10.083 -7.621 1.00 0.00 C ATOM 1302 CG TYR A 81 178.489 10.832 -8.538 1.00 0.00 C ATOM 1303 CD1 TYR A 81 178.277 12.198 -8.389 1.00 0.00 C ATOM 1304 CD2 TYR A 81 177.807 10.170 -9.552 1.00 0.00 C ATOM 1305 CE1 TYR A 81 177.412 12.881 -9.223 1.00 0.00 C ATOM 1306 CE2 TYR A 81 176.941 10.847 -10.390 1.00 0.00 C ATOM 1307 CZ TYR A 81 176.747 12.202 -10.222 1.00 0.00 C ATOM 1308 OH TYR A 81 175.884 12.878 -11.054 1.00 0.00 O ATOM 0 H TYR A 81 181.452 8.663 -7.081 1.00 0.00 H new ATOM 0 HA TYR A 81 181.050 11.103 -8.612 1.00 0.00 H new ATOM 0 HB2 TYR A 81 179.428 9.027 -7.892 1.00 0.00 H new ATOM 0 HB3 TYR A 81 179.064 10.152 -6.598 1.00 0.00 H new ATOM 0 HD1 TYR A 81 178.797 12.734 -7.609 1.00 0.00 H new ATOM 0 HD2 TYR A 81 177.956 9.109 -9.687 1.00 0.00 H new ATOM 0 HE1 TYR A 81 177.258 13.942 -9.093 1.00 0.00 H new ATOM 0 HE2 TYR A 81 176.419 10.317 -11.173 1.00 0.00 H new ATOM 0 HH TYR A 81 175.499 12.253 -11.703 1.00 0.00 H new ATOM 1318 N ASN A 82 181.462 11.103 -5.343 1.00 0.00 N ATOM 1319 CA ASN A 82 181.705 11.965 -4.183 1.00 0.00 C ATOM 1320 C ASN A 82 182.954 12.828 -4.390 1.00 0.00 C ATOM 1321 O ASN A 82 184.033 12.308 -4.678 1.00 0.00 O ATOM 1322 CB ASN A 82 181.861 11.124 -2.910 1.00 0.00 C ATOM 1323 CG ASN A 82 180.564 10.458 -2.478 1.00 0.00 C ATOM 1324 OD1 ASN A 82 179.600 10.391 -3.241 1.00 0.00 O ATOM 1325 ND2 ASN A 82 180.533 9.958 -1.245 1.00 0.00 N ATOM 0 H ASN A 82 181.588 10.107 -5.161 1.00 0.00 H new ATOM 0 HA ASN A 82 180.843 12.623 -4.072 1.00 0.00 H new ATOM 0 HB2 ASN A 82 182.619 10.358 -3.077 1.00 0.00 H new ATOM 0 HB3 ASN A 82 182.223 11.760 -2.102 1.00 0.00 H new ATOM 0 HD21 ASN A 82 179.689 9.499 -0.902 1.00 0.00 H new ATOM 0 HD22 ASN A 82 181.353 10.034 -0.643 1.00 0.00 H new ATOM 1332 N PRO A 83 182.819 14.166 -4.248 1.00 0.00 N ATOM 1333 CA PRO A 83 183.939 15.109 -4.424 1.00 0.00 C ATOM 1334 C PRO A 83 185.142 14.776 -3.537 1.00 0.00 C ATOM 1335 O PRO A 83 185.004 14.094 -2.524 1.00 0.00 O ATOM 1336 CB PRO A 83 183.339 16.459 -4.015 1.00 0.00 C ATOM 1337 CG PRO A 83 181.872 16.302 -4.217 1.00 0.00 C ATOM 1338 CD PRO A 83 181.563 14.865 -3.909 1.00 0.00 C ATOM 0 HA PRO A 83 184.325 15.084 -5.443 1.00 0.00 H new ATOM 0 HB2 PRO A 83 183.572 16.697 -2.977 1.00 0.00 H new ATOM 0 HB3 PRO A 83 183.737 17.270 -4.625 1.00 0.00 H new ATOM 0 HG2 PRO A 83 181.314 16.970 -3.561 1.00 0.00 H new ATOM 0 HG3 PRO A 83 181.590 16.551 -5.240 1.00 0.00 H new ATOM 0 HD2 PRO A 83 181.296 14.727 -2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 83 180.726 14.498 -4.502 1.00 0.00 H new ATOM 1346 N PRO A 84 186.346 15.259 -3.906 1.00 0.00 N ATOM 1347 CA PRO A 84 187.569 15.007 -3.135 1.00 0.00 C ATOM 1348 C PRO A 84 187.630 15.833 -1.848 1.00 0.00 C ATOM 1349 O PRO A 84 187.632 17.065 -1.891 1.00 0.00 O ATOM 1350 CB PRO A 84 188.682 15.423 -4.096 1.00 0.00 C ATOM 1351 CG PRO A 84 188.061 16.461 -4.967 1.00 0.00 C ATOM 1352 CD PRO A 84 186.608 16.086 -5.101 1.00 0.00 C ATOM 0 HA PRO A 84 187.638 13.970 -2.805 1.00 0.00 H new ATOM 0 HB2 PRO A 84 189.542 15.821 -3.557 1.00 0.00 H new ATOM 0 HB3 PRO A 84 189.037 14.575 -4.682 1.00 0.00 H new ATOM 0 HG2 PRO A 84 188.168 17.452 -4.527 1.00 0.00 H new ATOM 0 HG3 PRO A 84 188.546 16.491 -5.942 1.00 0.00 H new ATOM 0 HD2 PRO A 84 185.968 16.968 -5.125 1.00 0.00 H new ATOM 0 HD3 PRO A 84 186.421 15.531 -6.020 1.00 0.00 H new ATOM 1360 N ASP A 85 187.676 15.139 -0.707 1.00 0.00 N ATOM 1361 CA ASP A 85 187.735 15.789 0.604 1.00 0.00 C ATOM 1362 C ASP A 85 186.481 16.628 0.859 1.00 0.00 C ATOM 1363 O ASP A 85 186.531 17.860 0.864 1.00 0.00 O ATOM 1364 CB ASP A 85 188.996 16.658 0.722 1.00 0.00 C ATOM 1365 CG ASP A 85 189.567 16.669 2.129 1.00 0.00 C ATOM 1366 OD1 ASP A 85 188.789 16.865 3.088 1.00 0.00 O ATOM 1367 OD2 ASP A 85 190.793 16.478 2.273 1.00 0.00 O ATOM 0 H ASP A 85 187.673 14.120 -0.666 1.00 0.00 H new ATOM 0 HA ASP A 85 187.780 15.008 1.363 1.00 0.00 H new ATOM 0 HB2 ASP A 85 189.753 16.290 0.029 1.00 0.00 H new ATOM 0 HB3 ASP A 85 188.759 17.679 0.422 1.00 0.00 H new ATOM 1372 N HIS A 86 185.354 15.948 1.067 1.00 0.00 N ATOM 1373 CA HIS A 86 184.083 16.622 1.317 1.00 0.00 C ATOM 1374 C HIS A 86 183.358 16.013 2.518 1.00 0.00 C ATOM 1375 O HIS A 86 183.594 14.857 2.875 1.00 0.00 O ATOM 1376 CB HIS A 86 183.195 16.536 0.074 1.00 0.00 C ATOM 1377 CG HIS A 86 182.271 17.702 -0.089 1.00 0.00 C ATOM 1378 ND1 HIS A 86 181.036 17.601 -0.694 1.00 0.00 N ATOM 1379 CD2 HIS A 86 182.404 19.000 0.275 1.00 0.00 C ATOM 1380 CE1 HIS A 86 180.451 18.784 -0.697 1.00 0.00 C ATOM 1381 NE2 HIS A 86 181.260 19.650 -0.114 1.00 0.00 N ATOM 0 H HIS A 86 185.297 14.930 1.067 1.00 0.00 H new ATOM 0 HA HIS A 86 184.293 17.667 1.543 1.00 0.00 H new ATOM 0 HB2 HIS A 86 183.829 16.460 -0.810 1.00 0.00 H new ATOM 0 HB3 HIS A 86 182.605 15.621 0.123 1.00 0.00 H new ATOM 0 HD2 HIS A 86 183.252 19.441 0.778 1.00 0.00 H new ATOM 0 HE1 HIS A 86 179.477 19.006 -1.106 1.00 0.00 H new ATOM 0 HE2 HIS A 86 181.066 20.642 0.025 1.00 0.00 H new ATOM 1390 N GLU A 87 182.472 16.801 3.135 1.00 0.00 N ATOM 1391 CA GLU A 87 181.707 16.342 4.296 1.00 0.00 C ATOM 1392 C GLU A 87 180.909 15.080 3.968 1.00 0.00 C ATOM 1393 O GLU A 87 180.890 14.130 4.752 1.00 0.00 O ATOM 1394 CB GLU A 87 180.763 17.444 4.788 1.00 0.00 C ATOM 1395 CG GLU A 87 181.468 18.558 5.547 1.00 0.00 C ATOM 1396 CD GLU A 87 181.558 18.280 7.036 1.00 0.00 C ATOM 1397 OE1 GLU A 87 182.284 17.339 7.421 1.00 0.00 O ATOM 1398 OE2 GLU A 87 180.902 19.002 7.815 1.00 0.00 O ATOM 0 H GLU A 87 182.268 17.759 2.849 1.00 0.00 H new ATOM 0 HA GLU A 87 182.417 16.103 5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 87 180.242 17.873 3.932 1.00 0.00 H new ATOM 0 HB3 GLU A 87 180.005 17.000 5.433 1.00 0.00 H new ATOM 0 HG2 GLU A 87 182.472 18.689 5.144 1.00 0.00 H new ATOM 0 HG3 GLU A 87 180.936 19.496 5.387 1.00 0.00 H new ATOM 1405 N VAL A 88 180.258 15.072 2.802 1.00 0.00 N ATOM 1406 CA VAL A 88 179.468 13.916 2.374 1.00 0.00 C ATOM 1407 C VAL A 88 180.356 12.691 2.158 1.00 0.00 C ATOM 1408 O VAL A 88 179.929 11.557 2.378 1.00 0.00 O ATOM 1409 CB VAL A 88 178.675 14.200 1.078 1.00 0.00 C ATOM 1410 CG1 VAL A 88 177.626 15.278 1.315 1.00 0.00 C ATOM 1411 CG2 VAL A 88 179.609 14.590 -0.064 1.00 0.00 C ATOM 0 H VAL A 88 180.262 15.849 2.141 1.00 0.00 H new ATOM 0 HA VAL A 88 178.759 13.715 3.177 1.00 0.00 H new ATOM 0 HB VAL A 88 178.162 13.283 0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 88 177.079 15.463 0.390 1.00 0.00 H new ATOM 0 HG12 VAL A 88 176.932 14.947 2.087 1.00 0.00 H new ATOM 0 HG13 VAL A 88 178.115 16.197 1.637 1.00 0.00 H new ATOM 0 HG21 VAL A 88 179.024 14.784 -0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 88 180.163 15.488 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 88 180.309 13.777 -0.255 1.00 0.00 H new ATOM 1421 N VAL A 89 181.597 12.931 1.734 1.00 0.00 N ATOM 1422 CA VAL A 89 182.552 11.853 1.498 1.00 0.00 C ATOM 1423 C VAL A 89 182.906 11.148 2.806 1.00 0.00 C ATOM 1424 O VAL A 89 183.016 9.923 2.847 1.00 0.00 O ATOM 1425 CB VAL A 89 183.841 12.371 0.828 1.00 0.00 C ATOM 1426 CG1 VAL A 89 184.751 11.215 0.444 1.00 0.00 C ATOM 1427 CG2 VAL A 89 183.506 13.220 -0.390 1.00 0.00 C ATOM 0 H VAL A 89 181.963 13.865 1.547 1.00 0.00 H new ATOM 0 HA VAL A 89 182.074 11.144 0.823 1.00 0.00 H new ATOM 0 HB VAL A 89 184.372 12.996 1.546 1.00 0.00 H new ATOM 0 HG11 VAL A 89 185.654 11.604 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 89 185.021 10.652 1.338 1.00 0.00 H new ATOM 0 HG13 VAL A 89 184.231 10.559 -0.254 1.00 0.00 H new ATOM 0 HG21 VAL A 89 184.428 13.577 -0.850 1.00 0.00 H new ATOM 0 HG22 VAL A 89 182.950 12.620 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 89 182.900 14.073 -0.084 1.00 0.00 H new ATOM 1437 N ALA A 90 183.071 11.930 3.877 1.00 0.00 N ATOM 1438 CA ALA A 90 183.398 11.377 5.191 1.00 0.00 C ATOM 1439 C ALA A 90 182.343 10.366 5.635 1.00 0.00 C ATOM 1440 O ALA A 90 182.659 9.376 6.295 1.00 0.00 O ATOM 1441 CB ALA A 90 183.526 12.489 6.222 1.00 0.00 C ATOM 0 H ALA A 90 182.983 12.946 3.858 1.00 0.00 H new ATOM 0 HA ALA A 90 184.355 10.862 5.110 1.00 0.00 H new ATOM 0 HB1 ALA A 90 183.769 12.058 7.193 1.00 0.00 H new ATOM 0 HB2 ALA A 90 184.317 13.175 5.921 1.00 0.00 H new ATOM 0 HB3 ALA A 90 182.583 13.031 6.292 1.00 0.00 H new ATOM 1447 N MET A 91 181.088 10.622 5.263 1.00 0.00 N ATOM 1448 CA MET A 91 179.984 9.733 5.616 1.00 0.00 C ATOM 1449 C MET A 91 180.099 8.392 4.886 1.00 0.00 C ATOM 1450 O MET A 91 179.709 7.355 5.423 1.00 0.00 O ATOM 1451 CB MET A 91 178.640 10.392 5.289 1.00 0.00 C ATOM 1452 CG MET A 91 178.097 11.265 6.409 1.00 0.00 C ATOM 1453 SD MET A 91 177.496 12.858 5.816 1.00 0.00 S ATOM 1454 CE MET A 91 176.786 13.530 7.315 1.00 0.00 C ATOM 0 H MET A 91 180.812 11.438 4.717 1.00 0.00 H new ATOM 0 HA MET A 91 180.037 9.546 6.688 1.00 0.00 H new ATOM 0 HB2 MET A 91 178.752 10.998 4.390 1.00 0.00 H new ATOM 0 HB3 MET A 91 177.911 9.615 5.060 1.00 0.00 H new ATOM 0 HG2 MET A 91 177.286 10.740 6.914 1.00 0.00 H new ATOM 0 HG3 MET A 91 178.880 11.429 7.149 1.00 0.00 H new ATOM 0 HE1 MET A 91 176.371 14.517 7.110 1.00 0.00 H new ATOM 0 HE2 MET A 91 175.994 12.870 7.670 1.00 0.00 H new ATOM 0 HE3 MET A 91 177.559 13.613 8.079 1.00 0.00 H new ATOM 1464 N ALA A 92 180.634 8.417 3.661 1.00 0.00 N ATOM 1465 CA ALA A 92 180.793 7.199 2.867 1.00 0.00 C ATOM 1466 C ALA A 92 181.776 6.227 3.521 1.00 0.00 C ATOM 1467 O ALA A 92 181.463 5.050 3.699 1.00 0.00 O ATOM 1468 CB ALA A 92 181.247 7.539 1.453 1.00 0.00 C ATOM 0 H ALA A 92 180.963 9.266 3.201 1.00 0.00 H new ATOM 0 HA ALA A 92 179.821 6.708 2.817 1.00 0.00 H new ATOM 0 HB1 ALA A 92 181.360 6.621 0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 92 180.504 8.178 0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 92 182.202 8.062 1.494 1.00 0.00 H new ATOM 1474 N ARG A 93 182.962 6.722 3.884 1.00 0.00 N ATOM 1475 CA ARG A 93 183.972 5.873 4.524 1.00 0.00 C ATOM 1476 C ARG A 93 183.522 5.452 5.922 1.00 0.00 C ATOM 1477 O ARG A 93 183.741 4.311 6.330 1.00 0.00 O ATOM 1478 CB ARG A 93 185.342 6.569 4.591 1.00 0.00 C ATOM 1479 CG ARG A 93 185.290 8.041 4.975 1.00 0.00 C ATOM 1480 CD ARG A 93 185.746 8.928 3.827 1.00 0.00 C ATOM 1481 NE ARG A 93 187.101 9.447 4.029 1.00 0.00 N ATOM 1482 CZ ARG A 93 187.884 9.893 3.042 1.00 0.00 C ATOM 1483 NH1 ARG A 93 187.467 9.859 1.779 1.00 0.00 N ATOM 1484 NH2 ARG A 93 189.093 10.370 3.319 1.00 0.00 N ATOM 0 H ARG A 93 183.245 7.693 3.749 1.00 0.00 H new ATOM 0 HA ARG A 93 184.081 4.981 3.908 1.00 0.00 H new ATOM 0 HB2 ARG A 93 185.967 6.042 5.311 1.00 0.00 H new ATOM 0 HB3 ARG A 93 185.828 6.478 3.620 1.00 0.00 H new ATOM 0 HG2 ARG A 93 184.273 8.308 5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 93 185.923 8.215 5.845 1.00 0.00 H new ATOM 0 HD2 ARG A 93 185.712 8.361 2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 93 185.053 9.762 3.718 1.00 0.00 H new ATOM 0 HE ARG A 93 187.469 9.469 4.980 1.00 0.00 H new ATOM 0 HH11 ARG A 93 186.542 9.490 1.557 1.00 0.00 H new ATOM 0 HH12 ARG A 93 188.072 10.202 1.033 1.00 0.00 H new ATOM 0 HH21 ARG A 93 189.422 10.395 4.284 1.00 0.00 H new ATOM 0 HH22 ARG A 93 189.692 10.711 2.567 1.00 0.00 H new ATOM 1498 N LYS A 94 182.878 6.371 6.647 1.00 0.00 N ATOM 1499 CA LYS A 94 182.388 6.078 7.993 1.00 0.00 C ATOM 1500 C LYS A 94 181.361 4.944 7.962 1.00 0.00 C ATOM 1501 O LYS A 94 181.417 4.026 8.781 1.00 0.00 O ATOM 1502 CB LYS A 94 181.768 7.328 8.624 1.00 0.00 C ATOM 1503 CG LYS A 94 182.053 7.467 10.111 1.00 0.00 C ATOM 1504 CD LYS A 94 180.834 7.969 10.869 1.00 0.00 C ATOM 1505 CE LYS A 94 180.124 6.840 11.600 1.00 0.00 C ATOM 1506 NZ LYS A 94 179.930 7.145 13.045 1.00 0.00 N ATOM 0 H LYS A 94 182.685 7.319 6.325 1.00 0.00 H new ATOM 0 HA LYS A 94 183.237 5.762 8.599 1.00 0.00 H new ATOM 0 HB2 LYS A 94 182.145 8.210 8.107 1.00 0.00 H new ATOM 0 HB3 LYS A 94 180.689 7.305 8.470 1.00 0.00 H new ATOM 0 HG2 LYS A 94 182.362 6.503 10.515 1.00 0.00 H new ATOM 0 HG3 LYS A 94 182.884 8.156 10.260 1.00 0.00 H new ATOM 0 HD2 LYS A 94 181.139 8.732 11.585 1.00 0.00 H new ATOM 0 HD3 LYS A 94 180.142 8.444 10.173 1.00 0.00 H new ATOM 0 HE2 LYS A 94 179.155 6.660 11.134 1.00 0.00 H new ATOM 0 HE3 LYS A 94 180.703 5.922 11.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 179.552 6.306 13.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 180.842 7.408 13.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 179.261 7.934 13.146 1.00 0.00 H new ATOM 1520 N LEU A 95 180.428 5.012 7.006 1.00 0.00 N ATOM 1521 CA LEU A 95 179.394 3.985 6.862 1.00 0.00 C ATOM 1522 C LEU A 95 180.012 2.648 6.452 1.00 0.00 C ATOM 1523 O LEU A 95 179.547 1.587 6.869 1.00 0.00 O ATOM 1524 CB LEU A 95 178.346 4.414 5.829 1.00 0.00 C ATOM 1525 CG LEU A 95 176.889 4.211 6.257 1.00 0.00 C ATOM 1526 CD1 LEU A 95 175.986 5.242 5.594 1.00 0.00 C ATOM 1527 CD2 LEU A 95 176.424 2.800 5.926 1.00 0.00 C ATOM 0 H LEU A 95 180.369 5.767 6.322 1.00 0.00 H new ATOM 0 HA LEU A 95 178.905 3.863 7.829 1.00 0.00 H new ATOM 0 HB2 LEU A 95 178.497 5.469 5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 95 178.518 3.858 4.907 1.00 0.00 H new ATOM 0 HG LEU A 95 176.828 4.347 7.337 1.00 0.00 H new ATOM 0 HD11 LEU A 95 174.956 5.081 5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 95 176.303 6.244 5.885 1.00 0.00 H new ATOM 0 HD13 LEU A 95 176.052 5.141 4.511 1.00 0.00 H new ATOM 0 HD21 LEU A 95 175.387 2.676 6.238 1.00 0.00 H new ATOM 0 HD22 LEU A 95 176.502 2.634 4.852 1.00 0.00 H new ATOM 0 HD23 LEU A 95 177.049 2.078 6.451 1.00 0.00 H new ATOM 1539 N GLN A 96 181.068 2.708 5.639 1.00 0.00 N ATOM 1540 CA GLN A 96 181.760 1.506 5.182 1.00 0.00 C ATOM 1541 C GLN A 96 182.519 0.851 6.336 1.00 0.00 C ATOM 1542 O GLN A 96 182.516 -0.373 6.472 1.00 0.00 O ATOM 1543 CB GLN A 96 182.733 1.847 4.048 1.00 0.00 C ATOM 1544 CG GLN A 96 183.358 0.627 3.384 1.00 0.00 C ATOM 1545 CD GLN A 96 184.848 0.794 3.147 1.00 0.00 C ATOM 1546 OE1 GLN A 96 185.265 1.404 2.163 1.00 0.00 O ATOM 1547 NE2 GLN A 96 185.660 0.251 4.049 1.00 0.00 N ATOM 0 H GLN A 96 181.462 3.579 5.284 1.00 0.00 H new ATOM 0 HA GLN A 96 181.013 0.805 4.809 1.00 0.00 H new ATOM 0 HB2 GLN A 96 182.206 2.429 3.293 1.00 0.00 H new ATOM 0 HB3 GLN A 96 183.527 2.481 4.442 1.00 0.00 H new ATOM 0 HG2 GLN A 96 183.189 -0.250 4.009 1.00 0.00 H new ATOM 0 HG3 GLN A 96 182.861 0.441 2.432 1.00 0.00 H new ATOM 0 HE21 GLN A 96 185.272 -0.246 4.850 1.00 0.00 H new ATOM 0 HE22 GLN A 96 186.671 0.332 3.939 1.00 0.00 H new ATOM 1556 N ASP A 97 183.170 1.677 7.162 1.00 0.00 N ATOM 1557 CA ASP A 97 183.937 1.182 8.306 1.00 0.00 C ATOM 1558 C ASP A 97 183.037 0.440 9.290 1.00 0.00 C ATOM 1559 O ASP A 97 183.372 -0.656 9.739 1.00 0.00 O ATOM 1560 CB ASP A 97 184.648 2.340 9.019 1.00 0.00 C ATOM 1561 CG ASP A 97 185.717 1.861 9.985 1.00 0.00 C ATOM 1562 OD1 ASP A 97 185.361 1.234 11.006 1.00 0.00 O ATOM 1563 OD2 ASP A 97 186.911 2.114 9.720 1.00 0.00 O ATOM 0 H ASP A 97 183.180 2.692 7.058 1.00 0.00 H new ATOM 0 HA ASP A 97 184.685 0.484 7.929 1.00 0.00 H new ATOM 0 HB2 ASP A 97 185.102 2.996 8.276 1.00 0.00 H new ATOM 0 HB3 ASP A 97 183.913 2.934 9.562 1.00 0.00 H new ATOM 1568 N VAL A 98 181.891 1.039 9.616 1.00 0.00 N ATOM 1569 CA VAL A 98 180.943 0.425 10.544 1.00 0.00 C ATOM 1570 C VAL A 98 180.345 -0.854 9.948 1.00 0.00 C ATOM 1571 O VAL A 98 180.223 -1.868 10.638 1.00 0.00 O ATOM 1572 CB VAL A 98 179.815 1.405 10.952 1.00 0.00 C ATOM 1573 CG1 VAL A 98 179.025 1.879 9.741 1.00 0.00 C ATOM 1574 CG2 VAL A 98 178.894 0.765 11.983 1.00 0.00 C ATOM 0 H VAL A 98 181.598 1.946 9.252 1.00 0.00 H new ATOM 0 HA VAL A 98 181.500 0.167 11.445 1.00 0.00 H new ATOM 0 HB VAL A 98 180.282 2.280 11.404 1.00 0.00 H new ATOM 0 HG11 VAL A 98 178.242 2.565 10.063 1.00 0.00 H new ATOM 0 HG12 VAL A 98 179.693 2.391 9.048 1.00 0.00 H new ATOM 0 HG13 VAL A 98 178.573 1.021 9.243 1.00 0.00 H new ATOM 0 HG21 VAL A 98 178.109 1.470 12.256 1.00 0.00 H new ATOM 0 HG22 VAL A 98 178.444 -0.134 11.561 1.00 0.00 H new ATOM 0 HG23 VAL A 98 179.469 0.501 12.870 1.00 0.00 H new ATOM 1584 N PHE A 99 179.984 -0.805 8.661 1.00 0.00 N ATOM 1585 CA PHE A 99 179.414 -1.965 7.978 1.00 0.00 C ATOM 1586 C PHE A 99 180.430 -3.106 7.911 1.00 0.00 C ATOM 1587 O PHE A 99 180.119 -4.243 8.269 1.00 0.00 O ATOM 1588 CB PHE A 99 178.955 -1.588 6.565 1.00 0.00 C ATOM 1589 CG PHE A 99 177.619 -2.167 6.190 1.00 0.00 C ATOM 1590 CD1 PHE A 99 176.452 -1.677 6.756 1.00 0.00 C ATOM 1591 CD2 PHE A 99 177.529 -3.203 5.272 1.00 0.00 C ATOM 1592 CE1 PHE A 99 175.223 -2.208 6.415 1.00 0.00 C ATOM 1593 CE2 PHE A 99 176.302 -3.738 4.927 1.00 0.00 C ATOM 1594 CZ PHE A 99 175.148 -3.240 5.500 1.00 0.00 C ATOM 0 H PHE A 99 180.077 0.025 8.075 1.00 0.00 H new ATOM 0 HA PHE A 99 178.549 -2.301 8.549 1.00 0.00 H new ATOM 0 HB2 PHE A 99 178.906 -0.502 6.486 1.00 0.00 H new ATOM 0 HB3 PHE A 99 179.702 -1.926 5.847 1.00 0.00 H new ATOM 0 HD1 PHE A 99 176.504 -0.870 7.472 1.00 0.00 H new ATOM 0 HD2 PHE A 99 178.428 -3.596 4.821 1.00 0.00 H new ATOM 0 HE1 PHE A 99 174.322 -1.817 6.863 1.00 0.00 H new ATOM 0 HE2 PHE A 99 176.246 -4.544 4.211 1.00 0.00 H new ATOM 0 HZ PHE A 99 174.188 -3.657 5.233 1.00 0.00 H new ATOM 1604 N GLU A 100 181.649 -2.794 7.458 1.00 0.00 N ATOM 1605 CA GLU A 100 182.712 -3.795 7.352 1.00 0.00 C ATOM 1606 C GLU A 100 183.067 -4.359 8.727 1.00 0.00 C ATOM 1607 O GLU A 100 183.280 -5.561 8.872 1.00 0.00 O ATOM 1608 CB GLU A 100 183.962 -3.194 6.696 1.00 0.00 C ATOM 1609 CG GLU A 100 184.635 -4.121 5.692 1.00 0.00 C ATOM 1610 CD GLU A 100 185.003 -5.466 6.290 1.00 0.00 C ATOM 1611 OE1 GLU A 100 185.964 -5.520 7.086 1.00 0.00 O ATOM 1612 OE2 GLU A 100 184.328 -6.465 5.963 1.00 0.00 O ATOM 0 H GLU A 100 181.922 -1.858 7.160 1.00 0.00 H new ATOM 0 HA GLU A 100 182.343 -4.607 6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 100 183.687 -2.267 6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 100 184.680 -2.934 7.474 1.00 0.00 H new ATOM 0 HG2 GLU A 100 183.969 -4.276 4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 100 185.535 -3.641 5.307 1.00 0.00 H new ATOM 1619 N MET A 101 183.123 -3.486 9.735 1.00 0.00 N ATOM 1620 CA MET A 101 183.445 -3.909 11.097 1.00 0.00 C ATOM 1621 C MET A 101 182.422 -4.925 11.602 1.00 0.00 C ATOM 1622 O MET A 101 182.788 -5.973 12.137 1.00 0.00 O ATOM 1623 CB MET A 101 183.497 -2.703 12.041 1.00 0.00 C ATOM 1624 CG MET A 101 184.894 -2.127 12.215 1.00 0.00 C ATOM 1625 SD MET A 101 185.613 -2.519 13.822 1.00 0.00 S ATOM 1626 CE MET A 101 185.936 -0.878 14.462 1.00 0.00 C ATOM 0 H MET A 101 182.950 -2.486 9.633 1.00 0.00 H new ATOM 0 HA MET A 101 184.427 -4.381 11.080 1.00 0.00 H new ATOM 0 HB2 MET A 101 182.837 -1.924 11.659 1.00 0.00 H new ATOM 0 HB3 MET A 101 183.111 -2.999 13.016 1.00 0.00 H new ATOM 0 HG2 MET A 101 185.542 -2.512 11.428 1.00 0.00 H new ATOM 0 HG3 MET A 101 184.854 -1.045 12.094 1.00 0.00 H new ATOM 0 HE1 MET A 101 186.383 -0.955 15.453 1.00 0.00 H new ATOM 0 HE2 MET A 101 186.622 -0.356 13.795 1.00 0.00 H new ATOM 0 HE3 MET A 101 185.000 -0.323 14.528 1.00 0.00 H new ATOM 1636 N ARG A 102 181.138 -4.612 11.419 1.00 0.00 N ATOM 1637 CA ARG A 102 180.060 -5.502 11.845 1.00 0.00 C ATOM 1638 C ARG A 102 180.055 -6.781 11.008 1.00 0.00 C ATOM 1639 O ARG A 102 179.908 -7.879 11.546 1.00 0.00 O ATOM 1640 CB ARG A 102 178.705 -4.792 11.740 1.00 0.00 C ATOM 1641 CG ARG A 102 178.105 -4.413 13.087 1.00 0.00 C ATOM 1642 CD ARG A 102 178.923 -3.336 13.787 1.00 0.00 C ATOM 1643 NE ARG A 102 179.864 -3.902 14.757 1.00 0.00 N ATOM 1644 CZ ARG A 102 180.453 -3.198 15.729 1.00 0.00 C ATOM 1645 NH1 ARG A 102 180.206 -1.898 15.871 1.00 0.00 N ATOM 1646 NH2 ARG A 102 181.294 -3.799 16.564 1.00 0.00 N ATOM 0 H ARG A 102 180.821 -3.748 10.978 1.00 0.00 H new ATOM 0 HA ARG A 102 180.231 -5.772 12.887 1.00 0.00 H new ATOM 0 HB2 ARG A 102 178.823 -3.891 11.139 1.00 0.00 H new ATOM 0 HB3 ARG A 102 178.006 -5.439 11.210 1.00 0.00 H new ATOM 0 HG2 ARG A 102 177.084 -4.059 12.944 1.00 0.00 H new ATOM 0 HG3 ARG A 102 178.049 -5.297 13.722 1.00 0.00 H new ATOM 0 HD2 ARG A 102 179.473 -2.758 13.044 1.00 0.00 H new ATOM 0 HD3 ARG A 102 178.251 -2.644 14.295 1.00 0.00 H new ATOM 0 HE ARG A 102 180.084 -4.896 14.686 1.00 0.00 H new ATOM 0 HH11 ARG A 102 179.562 -1.429 15.235 1.00 0.00 H new ATOM 0 HH12 ARG A 102 180.661 -1.371 16.616 1.00 0.00 H new ATOM 0 HH21 ARG A 102 181.489 -4.795 16.462 1.00 0.00 H new ATOM 0 HH22 ARG A 102 181.745 -3.264 17.306 1.00 0.00 H new ATOM 1660 N PHE A 103 180.224 -6.633 9.692 1.00 0.00 N ATOM 1661 CA PHE A 103 180.247 -7.782 8.784 1.00 0.00 C ATOM 1662 C PHE A 103 181.425 -8.705 9.103 1.00 0.00 C ATOM 1663 O PHE A 103 181.266 -9.924 9.170 1.00 0.00 O ATOM 1664 CB PHE A 103 180.327 -7.319 7.324 1.00 0.00 C ATOM 1665 CG PHE A 103 179.071 -7.582 6.541 1.00 0.00 C ATOM 1666 CD1 PHE A 103 178.035 -6.661 6.536 1.00 0.00 C ATOM 1667 CD2 PHE A 103 178.924 -8.753 5.813 1.00 0.00 C ATOM 1668 CE1 PHE A 103 176.877 -6.903 5.821 1.00 0.00 C ATOM 1669 CE2 PHE A 103 177.769 -9.000 5.095 1.00 0.00 C ATOM 1670 CZ PHE A 103 176.744 -8.074 5.100 1.00 0.00 C ATOM 0 H PHE A 103 180.347 -5.731 9.232 1.00 0.00 H new ATOM 0 HA PHE A 103 179.320 -8.337 8.926 1.00 0.00 H new ATOM 0 HB2 PHE A 103 180.543 -6.251 7.301 1.00 0.00 H new ATOM 0 HB3 PHE A 103 181.162 -7.823 6.837 1.00 0.00 H new ATOM 0 HD1 PHE A 103 178.134 -5.744 7.097 1.00 0.00 H new ATOM 0 HD2 PHE A 103 179.722 -9.481 5.807 1.00 0.00 H new ATOM 0 HE1 PHE A 103 176.077 -6.177 5.826 1.00 0.00 H new ATOM 0 HE2 PHE A 103 177.668 -9.915 4.531 1.00 0.00 H new ATOM 0 HZ PHE A 103 175.840 -8.265 4.541 1.00 0.00 H new ATOM 1680 N ALA A 104 182.604 -8.110 9.307 1.00 0.00 N ATOM 1681 CA ALA A 104 183.812 -8.865 9.630 1.00 0.00 C ATOM 1682 C ALA A 104 183.636 -9.648 10.926 1.00 0.00 C ATOM 1683 O ALA A 104 184.032 -10.808 11.015 1.00 0.00 O ATOM 1684 CB ALA A 104 185.011 -7.935 9.740 1.00 0.00 C ATOM 0 H ALA A 104 182.745 -7.101 9.253 1.00 0.00 H new ATOM 0 HA ALA A 104 183.990 -9.574 8.821 1.00 0.00 H new ATOM 0 HB1 ALA A 104 185.901 -8.516 9.981 1.00 0.00 H new ATOM 0 HB2 ALA A 104 185.160 -7.420 8.791 1.00 0.00 H new ATOM 0 HB3 ALA A 104 184.832 -7.202 10.527 1.00 0.00 H new ATOM 1690 N LYS A 105 183.031 -9.007 11.927 1.00 0.00 N ATOM 1691 CA LYS A 105 182.792 -9.655 13.216 1.00 0.00 C ATOM 1692 C LYS A 105 181.718 -10.737 13.088 1.00 0.00 C ATOM 1693 O LYS A 105 181.799 -11.783 13.734 1.00 0.00 O ATOM 1694 CB LYS A 105 182.389 -8.623 14.274 1.00 0.00 C ATOM 1695 CG LYS A 105 183.384 -8.519 15.417 1.00 0.00 C ATOM 1696 CD LYS A 105 183.115 -7.305 16.292 1.00 0.00 C ATOM 1697 CE LYS A 105 184.410 -6.687 16.800 1.00 0.00 C ATOM 1698 NZ LYS A 105 185.204 -7.644 17.624 1.00 0.00 N ATOM 0 H LYS A 105 182.699 -8.044 11.870 1.00 0.00 H new ATOM 0 HA LYS A 105 183.720 -10.129 13.534 1.00 0.00 H new ATOM 0 HB2 LYS A 105 182.287 -7.647 13.800 1.00 0.00 H new ATOM 0 HB3 LYS A 105 181.410 -8.887 14.675 1.00 0.00 H new ATOM 0 HG2 LYS A 105 183.335 -9.423 16.024 1.00 0.00 H new ATOM 0 HG3 LYS A 105 184.395 -8.460 15.014 1.00 0.00 H new ATOM 0 HD2 LYS A 105 182.554 -6.563 15.724 1.00 0.00 H new ATOM 0 HD3 LYS A 105 182.493 -7.596 17.138 1.00 0.00 H new ATOM 0 HE2 LYS A 105 185.010 -6.355 15.952 1.00 0.00 H new ATOM 0 HE3 LYS A 105 184.180 -5.802 17.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 186.025 -7.153 18.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 184.609 -8.019 18.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 185.533 -8.428 17.025 1.00 0.00 H new ATOM 1712 N MET A 106 180.714 -10.480 12.245 1.00 0.00 N ATOM 1713 CA MET A 106 179.633 -11.435 12.016 1.00 0.00 C ATOM 1714 C MET A 106 180.135 -12.658 11.251 1.00 0.00 C ATOM 1715 O MET A 106 179.733 -13.786 11.536 1.00 0.00 O ATOM 1716 CB MET A 106 178.493 -10.776 11.230 1.00 0.00 C ATOM 1717 CG MET A 106 177.158 -10.789 11.957 1.00 0.00 C ATOM 1718 SD MET A 106 175.812 -11.431 10.939 1.00 0.00 S ATOM 1719 CE MET A 106 176.490 -13.003 10.407 1.00 0.00 C ATOM 0 H MET A 106 180.630 -9.616 11.710 1.00 0.00 H new ATOM 0 HA MET A 106 179.263 -11.757 12.990 1.00 0.00 H new ATOM 0 HB2 MET A 106 178.766 -9.744 11.009 1.00 0.00 H new ATOM 0 HB3 MET A 106 178.380 -11.287 10.274 1.00 0.00 H new ATOM 0 HG2 MET A 106 177.246 -11.395 12.858 1.00 0.00 H new ATOM 0 HG3 MET A 106 176.914 -9.776 12.277 1.00 0.00 H new ATOM 0 HE1 MET A 106 175.690 -13.740 10.339 1.00 0.00 H new ATOM 0 HE2 MET A 106 176.959 -12.885 9.430 1.00 0.00 H new ATOM 0 HE3 MET A 106 177.234 -13.341 11.128 1.00 0.00 H new ATOM 1729 N LEU A 107 180.998 -12.422 10.259 1.00 0.00 N ATOM 1730 CA LEU A 107 181.532 -13.505 9.434 1.00 0.00 C ATOM 1731 C LEU A 107 182.715 -14.206 10.095 1.00 0.00 C ATOM 1732 O LEU A 107 182.810 -15.433 10.054 1.00 0.00 O ATOM 1733 CB LEU A 107 181.959 -12.969 8.065 1.00 0.00 C ATOM 1734 CG LEU A 107 181.112 -13.457 6.887 1.00 0.00 C ATOM 1735 CD1 LEU A 107 181.063 -12.401 5.791 1.00 0.00 C ATOM 1736 CD2 LEU A 107 181.658 -14.777 6.353 1.00 0.00 C ATOM 0 H LEU A 107 181.340 -11.494 10.010 1.00 0.00 H new ATOM 0 HA LEU A 107 180.733 -14.237 9.314 1.00 0.00 H new ATOM 0 HB2 LEU A 107 181.925 -11.880 8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 107 182.997 -13.251 7.889 1.00 0.00 H new ATOM 0 HG LEU A 107 180.093 -13.627 7.235 1.00 0.00 H new ATOM 0 HD11 LEU A 107 180.457 -12.765 4.962 1.00 0.00 H new ATOM 0 HD12 LEU A 107 180.624 -11.486 6.187 1.00 0.00 H new ATOM 0 HD13 LEU A 107 182.074 -12.195 5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 107 181.046 -15.112 5.516 1.00 0.00 H new ATOM 0 HD22 LEU A 107 182.686 -14.637 6.018 1.00 0.00 H new ATOM 0 HD23 LEU A 107 181.633 -15.527 7.143 1.00 0.00 H new ATOM 1748 N GLN A 108 183.618 -13.429 10.692 1.00 0.00 N ATOM 1749 CA GLN A 108 184.797 -13.998 11.345 1.00 0.00 C ATOM 1750 C GLN A 108 185.230 -13.157 12.553 1.00 0.00 C ATOM 1751 O GLN A 108 184.344 -12.642 13.260 1.00 0.00 O ATOM 1752 CB GLN A 108 185.944 -14.124 10.333 1.00 0.00 C ATOM 1753 CG GLN A 108 186.362 -12.799 9.709 1.00 0.00 C ATOM 1754 CD GLN A 108 185.668 -12.528 8.386 1.00 0.00 C ATOM 1755 OE1 GLN A 108 185.021 -11.495 8.213 1.00 0.00 O ATOM 1756 NE2 GLN A 108 185.802 -13.454 7.444 1.00 0.00 N ATOM 0 H GLN A 108 183.557 -12.412 10.737 1.00 0.00 H new ATOM 0 HA GLN A 108 184.538 -14.990 11.714 1.00 0.00 H new ATOM 0 HB2 GLN A 108 186.806 -14.569 10.829 1.00 0.00 H new ATOM 0 HB3 GLN A 108 185.643 -14.809 9.540 1.00 0.00 H new ATOM 0 HG2 GLN A 108 186.139 -11.989 10.404 1.00 0.00 H new ATOM 0 HG3 GLN A 108 187.441 -12.799 9.555 1.00 0.00 H new ATOM 0 HE21 GLN A 108 186.347 -14.296 7.630 1.00 0.00 H new ATOM 0 HE22 GLN A 108 185.360 -13.324 6.534 1.00 0.00 H new TER 1765 GLN A 108