USER MOD reduce.3.24.130724 H: found=0, std=0, add=1166, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 972 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 57 GLN : amide:sc= 0.722 K(o=1.9,f=-1.6) USER MOD Set 1.2: A 93 THR OG1 : rot -83:sc= 1.16 USER MOD Set 2.1: A 59 GLN :FLIP amide:sc= 0 F(o=-1.4!,f=0) USER MOD Set 2.2: A 61 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Set 3.1: A 39 SER OG : rot 96:sc= 0.962 USER MOD Set 3.2: A 42 THR OG1 : rot 92:sc= 0.858 USER MOD Set 4.1: A 25 ASN : amide:sc= -0.354 X(o=0.73,f=0.67) USER MOD Set 4.2: A 31 SER OG : rot -73:sc= 1.08 USER MOD Set 5.1: A 10 TYR OH : rot 30:sc= 0 USER MOD Set 5.2: A 12 SER OG : rot 180:sc= 0.0338 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 MET CE :methyl -177:sc= 0 (180deg=-0.00655) USER MOD Single : A 4 LYS NZ :NH3+ 150:sc= 0.355 (180deg=-0.451) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 15:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -178:sc= 0.305 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 164:sc= -0.115 (180deg=-0.762) USER MOD Single : A 23 LYS NZ :NH3+ -149:sc= 0.00941 (180deg=-0.0155) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 142:sc= 0.0215 (180deg=0) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot -145:sc= 1.02 USER MOD Single : A 51 SER OG : rot -51:sc= 0.146 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -0.259 F(o=-1.6!,f=-0.26) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= 0.204 K(o=0.2,f=-0.42) USER MOD Single : A 76 ASN : amide:sc= -0.959 X(o=-0.96,f=-0.46) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -129:sc= 0.508 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 165:sc= 0.026 (180deg=0.0106) USER MOD Single : A 97 THR OG1 : rot -152:sc= 1.42 USER MOD Single : A 101 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.068) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0.177 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot -72:sc= 0.919 USER MOD Single : A 119 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.3) USER MOD Single : A 120 HIS : no HD1:sc= -0.354 X(o=-0.35,f=-0.059) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= -0.421 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 HIS : no HD1:sc= -0.168 X(o=-0.17,f=-0.0057) USER MOD Single : A 128 ASN : amide:sc= 0.958 K(o=0.96,f=0) USER MOD Single : A 135 ASN : amide:sc= 0.514 K(o=0.51,f=-0.061) USER MOD Single : A 144 SER OG : rot 180:sc= 0 USER MOD Single : A 148 LYS NZ :NH3+ -165:sc= 1.19 (180deg=0.63) USER MOD Single : A 150 SER OG : rot 110:sc= 0 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.772 -24.501 -1.361 1.00 21.04 N ATOM 2 CA GLY A 1 -9.650 -24.128 -0.488 1.00 53.32 C ATOM 3 C GLY A 1 -8.387 -23.870 -1.295 1.00 3.33 C ATOM 4 O GLY A 1 -7.383 -24.552 -1.096 1.00 35.34 O ATOM 0 H1 GLY A 1 -11.620 -24.671 -0.783 1.00 21.04 H new ATOM 0 H2 GLY A 1 -10.960 -23.730 -2.033 1.00 21.04 H new ATOM 0 H3 GLY A 1 -10.531 -25.366 -1.885 1.00 21.04 H new ATOM 0 HA2 GLY A 1 -9.910 -23.235 0.081 1.00 53.32 H new ATOM 0 HA3 GLY A 1 -9.467 -24.924 0.234 1.00 53.32 H new ATOM 8 N MET A 2 -8.442 -22.916 -2.222 1.00 41.35 N ATOM 9 CA MET A 2 -7.330 -22.315 -2.937 1.00 62.13 C ATOM 10 C MET A 2 -7.893 -20.966 -3.376 1.00 54.12 C ATOM 11 O MET A 2 -8.641 -20.905 -4.349 1.00 15.41 O ATOM 12 CB MET A 2 -6.882 -23.189 -4.124 1.00 71.05 C ATOM 13 CG MET A 2 -5.783 -22.505 -4.950 1.00 4.11 C ATOM 14 SD MET A 2 -5.051 -23.522 -6.264 1.00 53.33 S ATOM 15 CE MET A 2 -4.025 -24.656 -5.288 1.00 12.44 C ATOM 0 H MET A 2 -9.335 -22.516 -2.511 1.00 41.35 H new ATOM 0 HA MET A 2 -6.429 -22.211 -2.333 1.00 62.13 H new ATOM 0 HB2 MET A 2 -6.516 -24.146 -3.753 1.00 71.05 H new ATOM 0 HB3 MET A 2 -7.739 -23.401 -4.763 1.00 71.05 H new ATOM 0 HG2 MET A 2 -6.198 -21.603 -5.400 1.00 4.11 H new ATOM 0 HG3 MET A 2 -4.989 -22.187 -4.275 1.00 4.11 H new ATOM 0 HE1 MET A 2 -3.468 -25.311 -5.958 1.00 12.44 H new ATOM 0 HE2 MET A 2 -3.327 -24.082 -4.679 1.00 12.44 H new ATOM 0 HE3 MET A 2 -4.663 -25.257 -4.640 1.00 12.44 H new ATOM 23 N ALA A 3 -7.666 -19.931 -2.571 1.00 14.50 N ATOM 24 CA ALA A 3 -8.060 -18.559 -2.848 1.00 1.54 C ATOM 25 C ALA A 3 -7.175 -17.670 -1.975 1.00 64.14 C ATOM 26 O ALA A 3 -7.575 -17.294 -0.876 1.00 2.20 O ATOM 27 CB ALA A 3 -9.553 -18.356 -2.544 1.00 62.45 C ATOM 0 H ALA A 3 -7.185 -20.032 -1.677 1.00 14.50 H new ATOM 0 HA ALA A 3 -7.927 -18.307 -3.900 1.00 1.54 H new ATOM 0 HB1 ALA A 3 -9.831 -17.324 -2.757 1.00 62.45 H new ATOM 0 HB2 ALA A 3 -10.145 -19.027 -3.166 1.00 62.45 H new ATOM 0 HB3 ALA A 3 -9.743 -18.573 -1.493 1.00 62.45 H new ATOM 33 N LYS A 4 -5.934 -17.417 -2.402 1.00 74.22 N ATOM 34 CA LYS A 4 -5.006 -16.526 -1.714 1.00 22.12 C ATOM 35 C LYS A 4 -3.997 -15.969 -2.713 1.00 31.20 C ATOM 36 O LYS A 4 -3.455 -16.738 -3.505 1.00 22.02 O ATOM 37 CB LYS A 4 -4.329 -17.239 -0.525 1.00 31.31 C ATOM 38 CG LYS A 4 -3.188 -18.236 -0.809 1.00 61.23 C ATOM 39 CD LYS A 4 -3.517 -19.544 -1.559 1.00 4.42 C ATOM 40 CE LYS A 4 -3.253 -19.595 -3.076 1.00 72.04 C ATOM 41 NZ LYS A 4 -1.910 -19.102 -3.460 1.00 71.12 N ATOM 0 H LYS A 4 -5.544 -17.833 -3.248 1.00 74.22 H new ATOM 0 HA LYS A 4 -5.557 -15.686 -1.291 1.00 22.12 H new ATOM 0 HB2 LYS A 4 -3.937 -16.470 0.141 1.00 31.31 H new ATOM 0 HB3 LYS A 4 -5.104 -17.773 0.025 1.00 31.31 H new ATOM 0 HG2 LYS A 4 -2.424 -17.710 -1.381 1.00 61.23 H new ATOM 0 HG3 LYS A 4 -2.740 -18.507 0.147 1.00 61.23 H new ATOM 0 HD2 LYS A 4 -2.947 -20.348 -1.094 1.00 4.42 H new ATOM 0 HD3 LYS A 4 -4.572 -19.766 -1.396 1.00 4.42 H new ATOM 0 HE2 LYS A 4 -3.367 -20.622 -3.422 1.00 72.04 H new ATOM 0 HE3 LYS A 4 -4.009 -19.001 -3.588 1.00 72.04 H new ATOM 0 HZ1 LYS A 4 -1.592 -19.594 -4.319 1.00 71.12 H new ATOM 0 HZ2 LYS A 4 -1.955 -18.079 -3.643 1.00 71.12 H new ATOM 0 HZ3 LYS A 4 -1.239 -19.286 -2.687 1.00 71.12 H new ATOM 51 N LYS A 5 -3.725 -14.664 -2.696 1.00 41.31 N ATOM 52 CA LYS A 5 -2.672 -14.056 -3.517 1.00 20.03 C ATOM 53 C LYS A 5 -2.042 -12.917 -2.756 1.00 22.23 C ATOM 54 O LYS A 5 -2.598 -12.458 -1.756 1.00 32.10 O ATOM 55 CB LYS A 5 -3.181 -13.521 -4.869 1.00 44.33 C ATOM 56 CG LYS A 5 -3.899 -14.582 -5.675 1.00 75.44 C ATOM 57 CD LYS A 5 -4.222 -14.138 -7.107 1.00 33.52 C ATOM 58 CE LYS A 5 -4.498 -15.402 -7.915 1.00 12.43 C ATOM 59 NZ LYS A 5 -4.626 -15.144 -9.358 1.00 13.00 N ATOM 0 H LYS A 5 -4.228 -13.996 -2.112 1.00 41.31 H new ATOM 0 HA LYS A 5 -1.950 -14.844 -3.731 1.00 20.03 H new ATOM 0 HB2 LYS A 5 -3.855 -12.683 -4.694 1.00 44.33 H new ATOM 0 HB3 LYS A 5 -2.339 -13.138 -5.446 1.00 44.33 H new ATOM 0 HG2 LYS A 5 -3.283 -15.481 -5.710 1.00 75.44 H new ATOM 0 HG3 LYS A 5 -4.825 -14.850 -5.167 1.00 75.44 H new ATOM 0 HD2 LYS A 5 -5.088 -13.476 -7.119 1.00 33.52 H new ATOM 0 HD3 LYS A 5 -3.389 -13.581 -7.535 1.00 33.52 H new ATOM 0 HE2 LYS A 5 -3.692 -16.116 -7.749 1.00 12.43 H new ATOM 0 HE3 LYS A 5 -5.415 -15.866 -7.552 1.00 12.43 H new ATOM 0 HZ1 LYS A 5 -4.813 -16.038 -9.855 1.00 13.00 H new ATOM 0 HZ2 LYS A 5 -5.413 -14.484 -9.524 1.00 13.00 H new ATOM 0 HZ3 LYS A 5 -3.743 -14.727 -9.716 1.00 13.00 H new ATOM 69 N THR A 6 -0.940 -12.415 -3.292 1.00 72.25 N ATOM 70 CA THR A 6 -0.158 -11.353 -2.688 1.00 3.13 C ATOM 71 C THR A 6 0.276 -10.358 -3.764 1.00 13.34 C ATOM 72 O THR A 6 1.000 -10.720 -4.691 1.00 62.43 O ATOM 73 CB THR A 6 1.028 -11.965 -1.936 1.00 31.12 C ATOM 74 OG1 THR A 6 0.584 -12.900 -0.966 1.00 20.22 O ATOM 75 CG2 THR A 6 1.842 -10.888 -1.225 1.00 54.45 C ATOM 0 H THR A 6 -0.558 -12.744 -4.179 1.00 72.25 H new ATOM 0 HA THR A 6 -0.755 -10.800 -1.963 1.00 3.13 H new ATOM 0 HB THR A 6 1.651 -12.467 -2.677 1.00 31.12 H new ATOM 0 HG1 THR A 6 1.358 -13.279 -0.499 1.00 20.22 H new ATOM 0 HG21 THR A 6 2.677 -11.351 -0.699 1.00 54.45 H new ATOM 0 HG22 THR A 6 2.223 -10.177 -1.958 1.00 54.45 H new ATOM 0 HG23 THR A 6 1.207 -10.366 -0.509 1.00 54.45 H new ATOM 83 N LEU A 7 -0.177 -9.111 -3.639 1.00 2.32 N ATOM 84 CA LEU A 7 0.193 -7.994 -4.511 1.00 52.43 C ATOM 85 C LEU A 7 1.023 -6.950 -3.749 1.00 35.33 C ATOM 86 O LEU A 7 0.919 -6.860 -2.525 1.00 2.41 O ATOM 87 CB LEU A 7 -1.127 -7.410 -5.035 1.00 75.12 C ATOM 88 CG LEU A 7 -1.060 -6.371 -6.159 1.00 4.40 C ATOM 89 CD1 LEU A 7 -0.233 -6.837 -7.364 1.00 64.31 C ATOM 90 CD2 LEU A 7 -2.500 -6.095 -6.622 1.00 24.22 C ATOM 0 H LEU A 7 -0.832 -8.841 -2.905 1.00 2.32 H new ATOM 0 HA LEU A 7 0.823 -8.322 -5.338 1.00 52.43 H new ATOM 0 HB2 LEU A 7 -1.743 -8.239 -5.383 1.00 75.12 H new ATOM 0 HB3 LEU A 7 -1.649 -6.957 -4.192 1.00 75.12 H new ATOM 0 HG LEU A 7 -0.570 -5.480 -5.767 1.00 4.40 H new ATOM 0 HD11 LEU A 7 -0.225 -6.056 -8.124 1.00 64.31 H new ATOM 0 HD12 LEU A 7 0.789 -7.044 -7.046 1.00 64.31 H new ATOM 0 HD13 LEU A 7 -0.674 -7.743 -7.779 1.00 64.31 H new ATOM 0 HD21 LEU A 7 -2.489 -5.357 -7.424 1.00 24.22 H new ATOM 0 HD22 LEU A 7 -2.949 -7.019 -6.985 1.00 24.22 H new ATOM 0 HD23 LEU A 7 -3.084 -5.712 -5.785 1.00 24.22 H new ATOM 101 N ILE A 8 1.798 -6.127 -4.461 1.00 12.23 N ATOM 102 CA ILE A 8 2.461 -4.928 -3.946 1.00 3.33 C ATOM 103 C ILE A 8 2.030 -3.783 -4.863 1.00 13.23 C ATOM 104 O ILE A 8 2.135 -3.922 -6.083 1.00 15.02 O ATOM 105 CB ILE A 8 4.003 -5.080 -3.953 1.00 52.32 C ATOM 106 CG1 ILE A 8 4.514 -6.234 -3.064 1.00 51.01 C ATOM 107 CG2 ILE A 8 4.680 -3.763 -3.512 1.00 20.22 C ATOM 108 CD1 ILE A 8 5.925 -6.700 -3.449 1.00 32.43 C ATOM 0 H ILE A 8 1.987 -6.285 -5.451 1.00 12.23 H new ATOM 0 HA ILE A 8 2.179 -4.745 -2.909 1.00 3.33 H new ATOM 0 HB ILE A 8 4.271 -5.321 -4.982 1.00 52.32 H new ATOM 0 HG12 ILE A 8 4.514 -5.912 -2.023 1.00 51.01 H new ATOM 0 HG13 ILE A 8 3.825 -7.076 -3.137 1.00 51.01 H new ATOM 0 HG21 ILE A 8 5.763 -3.889 -3.523 1.00 20.22 H new ATOM 0 HG22 ILE A 8 4.401 -2.963 -4.198 1.00 20.22 H new ATOM 0 HG23 ILE A 8 4.355 -3.507 -2.504 1.00 20.22 H new ATOM 0 HD11 ILE A 8 6.232 -7.513 -2.791 1.00 32.43 H new ATOM 0 HD12 ILE A 8 5.924 -7.050 -4.481 1.00 32.43 H new ATOM 0 HD13 ILE A 8 6.623 -5.869 -3.349 1.00 32.43 H new ATOM 119 N LEU A 9 1.590 -2.655 -4.301 1.00 63.55 N ATOM 120 CA LEU A 9 1.164 -1.453 -5.014 1.00 4.03 C ATOM 121 C LEU A 9 1.914 -0.264 -4.407 1.00 43.12 C ATOM 122 O LEU A 9 1.550 0.172 -3.319 1.00 35.30 O ATOM 123 CB LEU A 9 -0.359 -1.241 -4.848 1.00 74.15 C ATOM 124 CG LEU A 9 -1.280 -2.418 -5.207 1.00 15.20 C ATOM 125 CD1 LEU A 9 -2.730 -2.025 -4.906 1.00 31.12 C ATOM 126 CD2 LEU A 9 -1.147 -2.836 -6.671 1.00 41.13 C ATOM 0 H LEU A 9 1.518 -2.552 -3.289 1.00 63.55 H new ATOM 0 HA LEU A 9 1.382 -1.550 -6.078 1.00 4.03 H new ATOM 0 HB2 LEU A 9 -0.550 -0.968 -3.810 1.00 74.15 H new ATOM 0 HB3 LEU A 9 -0.649 -0.387 -5.461 1.00 74.15 H new ATOM 0 HG LEU A 9 -0.982 -3.275 -4.603 1.00 15.20 H new ATOM 0 HD11 LEU A 9 -3.391 -2.854 -5.158 1.00 31.12 H new ATOM 0 HD12 LEU A 9 -2.831 -1.789 -3.847 1.00 31.12 H new ATOM 0 HD13 LEU A 9 -3.001 -1.152 -5.499 1.00 31.12 H new ATOM 0 HD21 LEU A 9 -1.818 -3.671 -6.873 1.00 41.13 H new ATOM 0 HD22 LEU A 9 -1.408 -1.996 -7.314 1.00 41.13 H new ATOM 0 HD23 LEU A 9 -0.119 -3.140 -6.871 1.00 41.13 H new ATOM 137 N TYR A 10 2.983 0.257 -5.019 1.00 53.23 N ATOM 138 CA TYR A 10 3.789 1.309 -4.375 1.00 61.53 C ATOM 139 C TYR A 10 3.882 2.601 -5.192 1.00 22.12 C ATOM 140 O TYR A 10 3.537 2.620 -6.378 1.00 64.23 O ATOM 141 CB TYR A 10 5.156 0.748 -3.938 1.00 23.54 C ATOM 142 CG TYR A 10 6.324 0.827 -4.906 1.00 42.43 C ATOM 143 CD1 TYR A 10 6.154 0.856 -6.308 1.00 15.22 C ATOM 144 CD2 TYR A 10 7.619 0.904 -4.365 1.00 1.12 C ATOM 145 CE1 TYR A 10 7.250 1.068 -7.165 1.00 11.43 C ATOM 146 CE2 TYR A 10 8.711 1.114 -5.225 1.00 23.53 C ATOM 147 CZ TYR A 10 8.540 1.217 -6.619 1.00 73.42 C ATOM 148 OH TYR A 10 9.622 1.411 -7.425 1.00 70.32 O ATOM 0 H TYR A 10 3.309 -0.024 -5.944 1.00 53.23 H new ATOM 0 HA TYR A 10 3.262 1.617 -3.472 1.00 61.53 H new ATOM 0 HB2 TYR A 10 5.449 1.267 -3.025 1.00 23.54 H new ATOM 0 HB3 TYR A 10 5.014 -0.301 -3.677 1.00 23.54 H new ATOM 0 HD1 TYR A 10 5.169 0.714 -6.728 1.00 15.22 H new ATOM 0 HD2 TYR A 10 7.773 0.803 -3.301 1.00 1.12 H new ATOM 0 HE1 TYR A 10 7.103 1.116 -8.234 1.00 11.43 H new ATOM 0 HE2 TYR A 10 9.703 1.198 -4.807 1.00 23.53 H new ATOM 0 HH TYR A 10 9.344 1.883 -8.238 1.00 70.32 H new ATOM 157 N TYR A 11 4.372 3.681 -4.572 1.00 40.24 N ATOM 158 CA TYR A 11 4.665 4.945 -5.237 1.00 24.24 C ATOM 159 C TYR A 11 6.136 5.312 -5.046 1.00 71.11 C ATOM 160 O TYR A 11 6.572 5.645 -3.940 1.00 61.11 O ATOM 161 CB TYR A 11 3.744 6.082 -4.775 1.00 22.21 C ATOM 162 CG TYR A 11 4.011 7.401 -5.495 1.00 13.35 C ATOM 163 CD1 TYR A 11 4.194 7.420 -6.893 1.00 53.30 C ATOM 164 CD2 TYR A 11 4.096 8.609 -4.774 1.00 33.22 C ATOM 165 CE1 TYR A 11 4.503 8.613 -7.563 1.00 22.35 C ATOM 166 CE2 TYR A 11 4.395 9.814 -5.440 1.00 20.34 C ATOM 167 CZ TYR A 11 4.608 9.816 -6.838 1.00 73.21 C ATOM 168 OH TYR A 11 4.910 10.970 -7.488 1.00 63.21 O ATOM 0 H TYR A 11 4.578 3.695 -3.573 1.00 40.24 H new ATOM 0 HA TYR A 11 4.470 4.807 -6.301 1.00 24.24 H new ATOM 0 HB2 TYR A 11 2.707 5.790 -4.938 1.00 22.21 H new ATOM 0 HB3 TYR A 11 3.869 6.229 -3.702 1.00 22.21 H new ATOM 0 HD1 TYR A 11 4.095 6.503 -7.456 1.00 53.30 H new ATOM 0 HD2 TYR A 11 3.931 8.611 -3.707 1.00 33.22 H new ATOM 0 HE1 TYR A 11 4.660 8.609 -8.632 1.00 22.35 H new ATOM 0 HE2 TYR A 11 4.462 10.737 -4.883 1.00 20.34 H new ATOM 0 HH TYR A 11 4.788 10.844 -8.452 1.00 63.21 H new ATOM 177 N SER A 12 6.925 5.226 -6.115 1.00 44.31 N ATOM 178 CA SER A 12 8.310 5.654 -6.117 1.00 72.12 C ATOM 179 C SER A 12 8.412 7.176 -6.317 1.00 15.33 C ATOM 180 O SER A 12 8.141 7.663 -7.413 1.00 3.32 O ATOM 181 CB SER A 12 9.090 4.852 -7.162 1.00 3.45 C ATOM 182 OG SER A 12 8.371 4.568 -8.352 1.00 33.22 O ATOM 0 H SER A 12 6.611 4.852 -7.011 1.00 44.31 H new ATOM 0 HA SER A 12 8.764 5.451 -5.147 1.00 72.12 H new ATOM 0 HB2 SER A 12 9.993 5.403 -7.423 1.00 3.45 H new ATOM 0 HB3 SER A 12 9.409 3.911 -6.714 1.00 3.45 H new ATOM 0 HG SER A 12 8.940 4.056 -8.964 1.00 33.22 H new ATOM 187 N TRP A 13 8.823 7.899 -5.266 1.00 3.23 N ATOM 188 CA TRP A 13 9.120 9.336 -5.227 1.00 51.43 C ATOM 189 C TRP A 13 10.208 9.685 -6.252 1.00 24.23 C ATOM 190 O TRP A 13 9.927 10.042 -7.394 1.00 52.14 O ATOM 191 CB TRP A 13 9.525 9.731 -3.793 1.00 0.23 C ATOM 192 CG TRP A 13 9.581 11.194 -3.462 1.00 24.24 C ATOM 193 CD1 TRP A 13 8.506 11.948 -3.149 1.00 52.34 C ATOM 194 CD2 TRP A 13 10.723 12.113 -3.422 1.00 34.51 C ATOM 195 NE1 TRP A 13 8.898 13.245 -2.904 1.00 11.21 N ATOM 196 CE2 TRP A 13 10.237 13.427 -3.150 1.00 21.53 C ATOM 197 CE3 TRP A 13 12.116 11.991 -3.613 1.00 71.24 C ATOM 198 CZ2 TRP A 13 11.056 14.566 -3.187 1.00 11.11 C ATOM 199 CZ3 TRP A 13 12.953 13.124 -3.637 1.00 21.15 C ATOM 200 CH2 TRP A 13 12.421 14.413 -3.468 1.00 24.22 C ATOM 0 H TRP A 13 8.967 7.462 -4.355 1.00 3.23 H new ATOM 0 HA TRP A 13 8.233 9.907 -5.499 1.00 51.43 H new ATOM 0 HB2 TRP A 13 8.825 9.258 -3.104 1.00 0.23 H new ATOM 0 HB3 TRP A 13 10.508 9.304 -3.592 1.00 0.23 H new ATOM 0 HD1 TRP A 13 7.489 11.587 -3.098 1.00 52.34 H new ATOM 0 HE1 TRP A 13 8.271 13.981 -2.579 1.00 11.21 H new ATOM 0 HE3 TRP A 13 12.549 11.010 -3.743 1.00 71.24 H new ATOM 0 HZ2 TRP A 13 10.641 15.546 -3.002 1.00 11.11 H new ATOM 0 HZ3 TRP A 13 14.015 13.000 -3.787 1.00 21.15 H new ATOM 0 HH2 TRP A 13 13.059 15.280 -3.554 1.00 24.22 H new ATOM 210 N SER A 14 11.474 9.528 -5.860 1.00 45.22 N ATOM 211 CA SER A 14 12.638 9.769 -6.689 1.00 73.54 C ATOM 212 C SER A 14 13.833 9.068 -6.030 1.00 1.44 C ATOM 213 O SER A 14 14.791 9.700 -5.588 1.00 24.25 O ATOM 214 CB SER A 14 12.831 11.281 -6.914 1.00 31.14 C ATOM 215 OG SER A 14 13.638 11.511 -8.052 1.00 70.11 O ATOM 0 H SER A 14 11.717 9.217 -4.919 1.00 45.22 H new ATOM 0 HA SER A 14 12.520 9.351 -7.689 1.00 73.54 H new ATOM 0 HB2 SER A 14 11.862 11.762 -7.044 1.00 31.14 H new ATOM 0 HB3 SER A 14 13.294 11.730 -6.035 1.00 31.14 H new ATOM 0 HG SER A 14 13.751 12.476 -8.184 1.00 70.11 H new ATOM 220 N GLY A 15 13.781 7.736 -5.982 1.00 64.12 N ATOM 221 CA GLY A 15 14.944 6.880 -5.761 1.00 43.42 C ATOM 222 C GLY A 15 15.074 6.334 -4.343 1.00 12.45 C ATOM 223 O GLY A 15 16.168 5.926 -3.955 1.00 22.12 O ATOM 0 H GLY A 15 12.913 7.214 -6.098 1.00 64.12 H new ATOM 0 HA2 GLY A 15 14.898 6.041 -6.456 1.00 43.42 H new ATOM 0 HA3 GLY A 15 15.845 7.445 -6.002 1.00 43.42 H new ATOM 227 N GLU A 16 13.988 6.276 -3.572 1.00 42.41 N ATOM 228 CA GLU A 16 13.960 5.765 -2.202 1.00 3.32 C ATOM 229 C GLU A 16 13.103 4.514 -2.117 1.00 54.01 C ATOM 230 O GLU A 16 13.616 3.425 -1.868 1.00 12.32 O ATOM 231 CB GLU A 16 13.388 6.829 -1.270 1.00 61.51 C ATOM 232 CG GLU A 16 14.227 8.109 -1.235 1.00 74.54 C ATOM 233 CD GLU A 16 13.893 8.881 0.032 1.00 52.34 C ATOM 234 OE1 GLU A 16 14.475 8.535 1.087 1.00 20.14 O ATOM 235 OE2 GLU A 16 13.008 9.764 -0.013 1.00 34.45 O ATOM 0 H GLU A 16 13.074 6.594 -3.895 1.00 42.41 H new ATOM 0 HA GLU A 16 14.979 5.518 -1.903 1.00 3.32 H new ATOM 0 HB2 GLU A 16 12.374 7.074 -1.587 1.00 61.51 H new ATOM 0 HB3 GLU A 16 13.317 6.420 -0.262 1.00 61.51 H new ATOM 0 HG2 GLU A 16 15.289 7.865 -1.259 1.00 74.54 H new ATOM 0 HG3 GLU A 16 14.021 8.719 -2.114 1.00 74.54 H new ATOM 240 N THR A 17 11.813 4.650 -2.416 1.00 33.42 N ATOM 241 CA THR A 17 10.833 3.587 -2.335 1.00 32.24 C ATOM 242 C THR A 17 11.290 2.395 -3.194 1.00 22.25 C ATOM 243 O THR A 17 11.006 1.248 -2.857 1.00 14.15 O ATOM 244 CB THR A 17 9.461 4.142 -2.784 1.00 33.21 C ATOM 245 OG1 THR A 17 9.372 5.564 -2.772 1.00 1.14 O ATOM 246 CG2 THR A 17 8.314 3.586 -1.942 1.00 33.54 C ATOM 0 H THR A 17 11.415 5.535 -2.731 1.00 33.42 H new ATOM 0 HA THR A 17 10.735 3.227 -1.311 1.00 32.24 H new ATOM 0 HB THR A 17 9.371 3.807 -3.817 1.00 33.21 H new ATOM 0 HG1 THR A 17 8.469 5.838 -3.037 1.00 1.14 H new ATOM 0 HG21 THR A 17 7.370 4.003 -2.293 1.00 33.54 H new ATOM 0 HG22 THR A 17 8.288 2.500 -2.034 1.00 33.54 H new ATOM 0 HG23 THR A 17 8.465 3.858 -0.897 1.00 33.54 H new ATOM 254 N LYS A 18 12.018 2.668 -4.292 1.00 52.23 N ATOM 255 CA LYS A 18 12.541 1.685 -5.235 1.00 74.23 C ATOM 256 C LYS A 18 13.337 0.584 -4.540 1.00 3.02 C ATOM 257 O LYS A 18 12.897 -0.562 -4.624 1.00 12.12 O ATOM 258 CB LYS A 18 13.295 2.366 -6.389 1.00 70.43 C ATOM 259 CG LYS A 18 14.098 1.354 -7.225 1.00 53.23 C ATOM 260 CD LYS A 18 14.399 1.874 -8.631 1.00 52.43 C ATOM 261 CE LYS A 18 15.357 3.064 -8.634 1.00 24.23 C ATOM 262 NZ LYS A 18 15.474 3.641 -9.986 1.00 11.44 N ATOM 0 H LYS A 18 12.264 3.624 -4.550 1.00 52.23 H new ATOM 0 HA LYS A 18 11.694 1.173 -5.690 1.00 74.23 H new ATOM 0 HB2 LYS A 18 12.584 2.885 -7.032 1.00 70.43 H new ATOM 0 HB3 LYS A 18 13.970 3.121 -5.986 1.00 70.43 H new ATOM 0 HG2 LYS A 18 15.034 1.127 -6.716 1.00 53.23 H new ATOM 0 HG3 LYS A 18 13.540 0.421 -7.297 1.00 53.23 H new ATOM 0 HD2 LYS A 18 14.827 1.068 -9.227 1.00 52.43 H new ATOM 0 HD3 LYS A 18 13.465 2.165 -9.113 1.00 52.43 H new ATOM 0 HE2 LYS A 18 15.001 3.825 -7.939 1.00 24.23 H new ATOM 0 HE3 LYS A 18 16.339 2.747 -8.283 1.00 24.23 H new ATOM 0 HZ1 LYS A 18 16.130 4.448 -9.964 1.00 11.44 H new ATOM 0 HZ2 LYS A 18 15.836 2.919 -10.641 1.00 11.44 H new ATOM 0 HZ3 LYS A 18 14.539 3.964 -10.308 1.00 11.44 H new ATOM 272 N LYS A 19 14.460 0.880 -3.861 1.00 73.52 N ATOM 273 CA LYS A 19 15.277 -0.190 -3.253 1.00 53.30 C ATOM 274 C LYS A 19 14.403 -1.064 -2.362 1.00 25.21 C ATOM 275 O LYS A 19 14.502 -2.286 -2.403 1.00 5.01 O ATOM 276 CB LYS A 19 16.464 0.366 -2.439 1.00 74.30 C ATOM 277 CG LYS A 19 17.672 0.689 -3.332 1.00 62.52 C ATOM 278 CD LYS A 19 18.869 1.289 -2.568 1.00 5.35 C ATOM 279 CE LYS A 19 18.809 2.817 -2.418 1.00 25.53 C ATOM 280 NZ LYS A 19 18.336 3.263 -1.093 1.00 33.22 N ATOM 0 H LYS A 19 14.817 1.825 -3.720 1.00 73.52 H new ATOM 0 HA LYS A 19 15.692 -0.784 -4.067 1.00 53.30 H new ATOM 0 HB2 LYS A 19 16.152 1.267 -1.912 1.00 74.30 H new ATOM 0 HB3 LYS A 19 16.757 -0.361 -1.682 1.00 74.30 H new ATOM 0 HG2 LYS A 19 17.994 -0.223 -3.835 1.00 62.52 H new ATOM 0 HG3 LYS A 19 17.361 1.388 -4.108 1.00 62.52 H new ATOM 0 HD2 LYS A 19 18.918 0.838 -1.577 1.00 5.35 H new ATOM 0 HD3 LYS A 19 19.790 1.020 -3.086 1.00 5.35 H new ATOM 0 HE2 LYS A 19 19.801 3.231 -2.598 1.00 25.53 H new ATOM 0 HE3 LYS A 19 18.150 3.223 -3.185 1.00 25.53 H new ATOM 0 HZ1 LYS A 19 18.320 4.302 -1.062 1.00 33.22 H new ATOM 0 HZ2 LYS A 19 17.377 2.897 -0.925 1.00 33.22 H new ATOM 0 HZ3 LYS A 19 18.977 2.904 -0.357 1.00 33.22 H new ATOM 290 N MET A 20 13.505 -0.437 -1.609 1.00 53.21 N ATOM 291 CA MET A 20 12.603 -1.101 -0.696 1.00 34.55 C ATOM 292 C MET A 20 11.644 -2.084 -1.389 1.00 51.11 C ATOM 293 O MET A 20 11.302 -3.112 -0.809 1.00 44.42 O ATOM 294 CB MET A 20 11.843 -0.001 0.058 1.00 1.13 C ATOM 295 CG MET A 20 11.294 -0.501 1.383 1.00 54.33 C ATOM 296 SD MET A 20 12.558 -1.145 2.514 1.00 24.44 S ATOM 297 CE MET A 20 13.690 0.269 2.581 1.00 40.53 C ATOM 0 H MET A 20 13.387 0.576 -1.623 1.00 53.21 H new ATOM 0 HA MET A 20 13.177 -1.724 -0.010 1.00 34.55 H new ATOM 0 HB2 MET A 20 12.508 0.844 0.236 1.00 1.13 H new ATOM 0 HB3 MET A 20 11.023 0.364 -0.561 1.00 1.13 H new ATOM 0 HG2 MET A 20 10.763 0.314 1.875 1.00 54.33 H new ATOM 0 HG3 MET A 20 10.563 -1.285 1.188 1.00 54.33 H new ATOM 0 HE1 MET A 20 14.359 0.159 3.434 1.00 40.53 H new ATOM 0 HE2 MET A 20 14.276 0.310 1.663 1.00 40.53 H new ATOM 0 HE3 MET A 20 13.116 1.190 2.686 1.00 40.53 H new ATOM 305 N ALA A 21 11.213 -1.809 -2.625 1.00 20.25 N ATOM 306 CA ALA A 21 10.226 -2.610 -3.329 1.00 33.51 C ATOM 307 C ALA A 21 10.871 -3.929 -3.716 1.00 34.42 C ATOM 308 O ALA A 21 10.353 -5.005 -3.415 1.00 71.34 O ATOM 309 CB ALA A 21 9.742 -1.899 -4.594 1.00 24.11 C ATOM 0 H ALA A 21 11.549 -1.012 -3.165 1.00 20.25 H new ATOM 0 HA ALA A 21 9.367 -2.771 -2.678 1.00 33.51 H new ATOM 0 HB1 ALA A 21 9.004 -2.521 -5.101 1.00 24.11 H new ATOM 0 HB2 ALA A 21 9.289 -0.945 -4.324 1.00 24.11 H new ATOM 0 HB3 ALA A 21 10.588 -1.724 -5.259 1.00 24.11 H new ATOM 315 N GLU A 22 11.988 -3.818 -4.436 1.00 11.34 N ATOM 316 CA GLU A 22 12.665 -4.949 -5.046 1.00 41.03 C ATOM 317 C GLU A 22 13.352 -5.847 -4.008 1.00 43.24 C ATOM 318 O GLU A 22 13.590 -7.033 -4.265 1.00 4.15 O ATOM 319 CB GLU A 22 13.669 -4.503 -6.128 1.00 42.03 C ATOM 320 CG GLU A 22 14.228 -3.086 -5.943 1.00 12.04 C ATOM 321 CD GLU A 22 15.574 -2.825 -6.620 1.00 23.54 C ATOM 322 OE1 GLU A 22 16.586 -3.427 -6.178 1.00 62.24 O ATOM 323 OE2 GLU A 22 15.663 -1.927 -7.485 1.00 61.22 O ATOM 0 H GLU A 22 12.449 -2.925 -4.611 1.00 11.34 H new ATOM 0 HA GLU A 22 11.889 -5.542 -5.530 1.00 41.03 H new ATOM 0 HB2 GLU A 22 14.501 -5.207 -6.144 1.00 42.03 H new ATOM 0 HB3 GLU A 22 13.182 -4.562 -7.102 1.00 42.03 H new ATOM 0 HG2 GLU A 22 13.500 -2.372 -6.329 1.00 12.04 H new ATOM 0 HG3 GLU A 22 14.332 -2.890 -4.876 1.00 12.04 H new ATOM 328 N LYS A 23 13.632 -5.295 -2.825 1.00 43.04 N ATOM 329 CA LYS A 23 13.941 -6.043 -1.615 1.00 45.32 C ATOM 330 C LYS A 23 12.783 -6.982 -1.324 1.00 13.02 C ATOM 331 O LYS A 23 12.859 -8.175 -1.612 1.00 14.45 O ATOM 332 CB LYS A 23 14.219 -5.050 -0.468 1.00 51.20 C ATOM 333 CG LYS A 23 15.652 -5.181 0.029 1.00 72.43 C ATOM 334 CD LYS A 23 16.142 -3.901 0.709 1.00 62.42 C ATOM 335 CE LYS A 23 17.577 -4.077 1.207 1.00 14.42 C ATOM 336 NZ LYS A 23 17.658 -4.949 2.394 1.00 71.33 N ATOM 0 H LYS A 23 13.649 -4.285 -2.684 1.00 43.04 H new ATOM 0 HA LYS A 23 14.837 -6.652 -1.732 1.00 45.32 H new ATOM 0 HB2 LYS A 23 14.041 -4.031 -0.813 1.00 51.20 H new ATOM 0 HB3 LYS A 23 13.527 -5.234 0.354 1.00 51.20 H new ATOM 0 HG2 LYS A 23 15.718 -6.012 0.731 1.00 72.43 H new ATOM 0 HG3 LYS A 23 16.306 -5.419 -0.810 1.00 72.43 H new ATOM 0 HD2 LYS A 23 16.093 -3.068 0.008 1.00 62.42 H new ATOM 0 HD3 LYS A 23 15.488 -3.653 1.545 1.00 62.42 H new ATOM 0 HE2 LYS A 23 18.187 -4.498 0.408 1.00 14.42 H new ATOM 0 HE3 LYS A 23 17.997 -3.101 1.448 1.00 14.42 H new ATOM 0 HZ1 LYS A 23 18.457 -4.651 2.990 1.00 71.33 H new ATOM 0 HZ2 LYS A 23 16.775 -4.878 2.938 1.00 71.33 H new ATOM 0 HZ3 LYS A 23 17.800 -5.934 2.092 1.00 71.33 H new ATOM 346 N ILE A 24 11.686 -6.414 -0.840 1.00 43.14 N ATOM 347 CA ILE A 24 10.557 -7.108 -0.269 1.00 71.53 C ATOM 348 C ILE A 24 9.960 -8.103 -1.263 1.00 34.51 C ATOM 349 O ILE A 24 9.625 -9.213 -0.859 1.00 44.24 O ATOM 350 CB ILE A 24 9.580 -6.019 0.222 1.00 24.13 C ATOM 351 CG1 ILE A 24 10.158 -5.337 1.487 1.00 15.43 C ATOM 352 CG2 ILE A 24 8.173 -6.575 0.463 1.00 23.44 C ATOM 353 CD1 ILE A 24 9.456 -4.022 1.829 1.00 51.41 C ATOM 0 H ILE A 24 11.561 -5.402 -0.839 1.00 43.14 H new ATOM 0 HA ILE A 24 10.838 -7.732 0.579 1.00 71.53 H new ATOM 0 HB ILE A 24 9.475 -5.268 -0.561 1.00 24.13 H new ATOM 0 HG12 ILE A 24 10.072 -6.019 2.333 1.00 15.43 H new ATOM 0 HG13 ILE A 24 11.221 -5.147 1.337 1.00 15.43 H new ATOM 0 HG21 ILE A 24 7.519 -5.774 0.808 1.00 23.44 H new ATOM 0 HG22 ILE A 24 7.781 -6.989 -0.466 1.00 23.44 H new ATOM 0 HG23 ILE A 24 8.216 -7.359 1.219 1.00 23.44 H new ATOM 0 HD11 ILE A 24 9.905 -3.592 2.724 1.00 51.41 H new ATOM 0 HD12 ILE A 24 9.564 -3.325 0.998 1.00 51.41 H new ATOM 0 HD13 ILE A 24 8.398 -4.211 2.009 1.00 51.41 H new ATOM 364 N ASN A 25 9.863 -7.763 -2.553 1.00 62.42 N ATOM 365 CA ASN A 25 9.272 -8.674 -3.532 1.00 34.14 C ATOM 366 C ASN A 25 10.064 -9.985 -3.697 1.00 20.43 C ATOM 367 O ASN A 25 9.524 -10.976 -4.189 1.00 20.44 O ATOM 368 CB ASN A 25 9.061 -7.964 -4.875 1.00 73.41 C ATOM 369 CG ASN A 25 8.323 -8.848 -5.882 1.00 54.21 C ATOM 370 OD1 ASN A 25 8.706 -8.975 -7.045 1.00 11.15 O ATOM 371 ND2 ASN A 25 7.217 -9.444 -5.472 1.00 31.12 N ATOM 0 H ASN A 25 10.183 -6.874 -2.938 1.00 62.42 H new ATOM 0 HA ASN A 25 8.298 -8.967 -3.141 1.00 34.14 H new ATOM 0 HB2 ASN A 25 8.495 -7.047 -4.715 1.00 73.41 H new ATOM 0 HB3 ASN A 25 10.027 -7.674 -5.287 1.00 73.41 H new ATOM 0 HD21 ASN A 25 6.674 -10.014 -6.121 1.00 31.12 H new ATOM 0 HD22 ASN A 25 6.906 -9.334 -4.507 1.00 31.12 H new ATOM 377 N SER A 26 11.320 -10.008 -3.249 1.00 50.12 N ATOM 378 CA SER A 26 12.208 -11.147 -3.233 1.00 70.40 C ATOM 379 C SER A 26 12.316 -11.801 -1.850 1.00 63.33 C ATOM 380 O SER A 26 13.047 -12.783 -1.735 1.00 11.35 O ATOM 381 CB SER A 26 13.585 -10.647 -3.679 1.00 74.42 C ATOM 382 OG SER A 26 13.860 -11.046 -5.009 1.00 73.30 O ATOM 0 H SER A 26 11.762 -9.173 -2.865 1.00 50.12 H new ATOM 0 HA SER A 26 11.813 -11.913 -3.900 1.00 70.40 H new ATOM 0 HB2 SER A 26 13.623 -9.560 -3.606 1.00 74.42 H new ATOM 0 HB3 SER A 26 14.352 -11.039 -3.011 1.00 74.42 H new ATOM 0 HG SER A 26 14.743 -10.715 -5.274 1.00 73.30 H new ATOM 387 N GLU A 27 11.669 -11.289 -0.798 1.00 22.45 N ATOM 388 CA GLU A 27 11.601 -11.928 0.512 1.00 15.24 C ATOM 389 C GLU A 27 10.198 -12.492 0.786 1.00 24.43 C ATOM 390 O GLU A 27 9.956 -13.046 1.860 1.00 71.34 O ATOM 391 CB GLU A 27 12.158 -11.018 1.623 1.00 20.12 C ATOM 392 CG GLU A 27 12.012 -9.517 1.588 1.00 32.42 C ATOM 393 CD GLU A 27 12.783 -8.837 2.729 1.00 20.22 C ATOM 394 OE1 GLU A 27 13.002 -9.449 3.801 1.00 41.10 O ATOM 395 OE2 GLU A 27 13.212 -7.676 2.555 1.00 15.12 O ATOM 0 H GLU A 27 11.169 -10.401 -0.838 1.00 22.45 H new ATOM 0 HA GLU A 27 12.262 -12.795 0.510 1.00 15.24 H new ATOM 0 HB2 GLU A 27 11.707 -11.354 2.557 1.00 20.12 H new ATOM 0 HB3 GLU A 27 13.226 -11.226 1.691 1.00 20.12 H new ATOM 0 HG2 GLU A 27 12.373 -9.140 0.631 1.00 32.42 H new ATOM 0 HG3 GLU A 27 10.956 -9.254 1.656 1.00 32.42 H new ATOM 400 N ILE A 28 9.309 -12.429 -0.206 1.00 0.25 N ATOM 401 CA ILE A 28 7.951 -12.952 -0.187 1.00 34.22 C ATOM 402 C ILE A 28 7.890 -14.115 -1.185 1.00 32.23 C ATOM 403 O ILE A 28 8.805 -14.314 -1.993 1.00 74.23 O ATOM 404 CB ILE A 28 6.946 -11.792 -0.443 1.00 0.04 C ATOM 405 CG1 ILE A 28 7.093 -10.779 0.727 1.00 35.42 C ATOM 406 CG2 ILE A 28 5.487 -12.271 -0.540 1.00 20.31 C ATOM 407 CD1 ILE A 28 6.288 -9.488 0.593 1.00 61.23 C ATOM 0 H ILE A 28 9.536 -11.984 -1.095 1.00 0.25 H new ATOM 0 HA ILE A 28 7.661 -13.358 0.782 1.00 34.22 H new ATOM 0 HB ILE A 28 7.180 -11.336 -1.405 1.00 0.04 H new ATOM 0 HG12 ILE A 28 6.797 -11.275 1.651 1.00 35.42 H new ATOM 0 HG13 ILE A 28 8.147 -10.519 0.828 1.00 35.42 H new ATOM 0 HG21 ILE A 28 4.835 -11.416 -0.719 1.00 20.31 H new ATOM 0 HG22 ILE A 28 5.391 -12.980 -1.363 1.00 20.31 H new ATOM 0 HG23 ILE A 28 5.201 -12.757 0.393 1.00 20.31 H new ATOM 0 HD11 ILE A 28 6.466 -8.856 1.463 1.00 61.23 H new ATOM 0 HD12 ILE A 28 6.597 -8.959 -0.308 1.00 61.23 H new ATOM 0 HD13 ILE A 28 5.226 -9.726 0.528 1.00 61.23 H new ATOM 418 N LYS A 29 6.819 -14.907 -1.101 1.00 52.20 N ATOM 419 CA LYS A 29 6.393 -15.824 -2.151 1.00 13.23 C ATOM 420 C LYS A 29 6.216 -15.082 -3.480 1.00 55.20 C ATOM 421 O LYS A 29 6.315 -13.859 -3.541 1.00 52.12 O ATOM 422 CB LYS A 29 5.083 -16.511 -1.702 1.00 60.32 C ATOM 423 CG LYS A 29 5.175 -18.040 -1.656 1.00 75.30 C ATOM 424 CD LYS A 29 5.074 -18.806 -2.982 1.00 34.11 C ATOM 425 CE LYS A 29 3.663 -18.681 -3.574 1.00 61.52 C ATOM 426 NZ LYS A 29 3.318 -19.825 -4.446 1.00 60.42 N ATOM 0 H LYS A 29 6.213 -14.926 -0.281 1.00 52.20 H new ATOM 0 HA LYS A 29 7.156 -16.585 -2.314 1.00 13.23 H new ATOM 0 HB2 LYS A 29 4.810 -16.142 -0.713 1.00 60.32 H new ATOM 0 HB3 LYS A 29 4.281 -16.224 -2.382 1.00 60.32 H new ATOM 0 HG2 LYS A 29 6.124 -18.304 -1.189 1.00 75.30 H new ATOM 0 HG3 LYS A 29 4.384 -18.403 -0.999 1.00 75.30 H new ATOM 0 HD2 LYS A 29 5.806 -18.417 -3.689 1.00 34.11 H new ATOM 0 HD3 LYS A 29 5.314 -19.857 -2.820 1.00 34.11 H new ATOM 0 HE2 LYS A 29 2.936 -18.612 -2.765 1.00 61.52 H new ATOM 0 HE3 LYS A 29 3.592 -17.756 -4.146 1.00 61.52 H new ATOM 0 HZ1 LYS A 29 2.357 -19.697 -4.823 1.00 60.42 H new ATOM 0 HZ2 LYS A 29 3.995 -19.877 -5.234 1.00 60.42 H new ATOM 0 HZ3 LYS A 29 3.359 -20.706 -3.895 1.00 60.42 H new ATOM 436 N ASP A 30 5.881 -15.857 -4.512 1.00 32.41 N ATOM 437 CA ASP A 30 5.450 -15.582 -5.878 1.00 12.22 C ATOM 438 C ASP A 30 4.233 -14.657 -5.879 1.00 21.53 C ATOM 439 O ASP A 30 3.071 -15.008 -6.102 1.00 4.24 O ATOM 440 CB ASP A 30 5.211 -16.910 -6.607 1.00 44.12 C ATOM 441 CG ASP A 30 4.541 -16.702 -7.960 1.00 55.03 C ATOM 442 OD1 ASP A 30 5.181 -16.134 -8.871 1.00 13.31 O ATOM 443 OD2 ASP A 30 3.370 -17.109 -8.116 1.00 75.51 O ATOM 0 H ASP A 30 5.914 -16.868 -4.377 1.00 32.41 H new ATOM 0 HA ASP A 30 6.228 -15.049 -6.424 1.00 12.22 H new ATOM 0 HB2 ASP A 30 6.162 -17.423 -6.748 1.00 44.12 H new ATOM 0 HB3 ASP A 30 4.588 -17.557 -5.989 1.00 44.12 H new ATOM 447 N SER A 31 4.563 -13.454 -5.490 1.00 22.53 N ATOM 448 CA SER A 31 3.788 -12.230 -5.487 1.00 72.53 C ATOM 449 C SER A 31 4.087 -11.438 -6.771 1.00 63.11 C ATOM 450 O SER A 31 4.845 -11.896 -7.635 1.00 52.03 O ATOM 451 CB SER A 31 4.089 -11.477 -4.177 1.00 34.33 C ATOM 452 OG SER A 31 5.466 -11.250 -3.917 1.00 75.30 O ATOM 0 H SER A 31 5.498 -13.283 -5.121 1.00 22.53 H new ATOM 0 HA SER A 31 2.714 -12.414 -5.502 1.00 72.53 H new ATOM 0 HB2 SER A 31 3.576 -10.515 -4.203 1.00 34.33 H new ATOM 0 HB3 SER A 31 3.666 -12.042 -3.346 1.00 34.33 H new ATOM 0 HG SER A 31 5.891 -12.091 -3.649 1.00 75.30 H new ATOM 457 N GLU A 32 3.493 -10.256 -6.922 1.00 73.13 N ATOM 458 CA GLU A 32 3.672 -9.351 -8.047 1.00 1.03 C ATOM 459 C GLU A 32 3.969 -7.936 -7.539 1.00 2.22 C ATOM 460 O GLU A 32 3.706 -7.624 -6.373 1.00 35.11 O ATOM 461 CB GLU A 32 2.385 -9.362 -8.866 1.00 11.04 C ATOM 462 CG GLU A 32 2.207 -10.649 -9.682 1.00 55.43 C ATOM 463 CD GLU A 32 0.928 -11.414 -9.355 1.00 11.00 C ATOM 464 OE1 GLU A 32 -0.110 -11.152 -10.007 1.00 54.41 O ATOM 465 OE2 GLU A 32 0.972 -12.354 -8.526 1.00 35.34 O ATOM 0 H GLU A 32 2.843 -9.889 -6.227 1.00 73.13 H new ATOM 0 HA GLU A 32 4.512 -9.671 -8.664 1.00 1.03 H new ATOM 0 HB2 GLU A 32 1.533 -9.242 -8.196 1.00 11.04 H new ATOM 0 HB3 GLU A 32 2.383 -8.506 -9.541 1.00 11.04 H new ATOM 0 HG2 GLU A 32 2.208 -10.399 -10.743 1.00 55.43 H new ATOM 0 HG3 GLU A 32 3.063 -11.300 -9.507 1.00 55.43 H new ATOM 470 N LEU A 33 4.502 -7.085 -8.424 1.00 75.33 N ATOM 471 CA LEU A 33 5.198 -5.853 -8.050 1.00 71.15 C ATOM 472 C LEU A 33 4.795 -4.670 -8.928 1.00 51.05 C ATOM 473 O LEU A 33 5.354 -4.428 -10.003 1.00 23.21 O ATOM 474 CB LEU A 33 6.722 -6.061 -8.058 1.00 35.45 C ATOM 475 CG LEU A 33 7.398 -5.442 -6.831 1.00 23.42 C ATOM 476 CD1 LEU A 33 8.932 -5.431 -6.987 1.00 52.34 C ATOM 477 CD2 LEU A 33 7.016 -4.034 -6.400 1.00 22.25 C ATOM 0 H LEU A 33 4.460 -7.237 -9.432 1.00 75.33 H new ATOM 0 HA LEU A 33 4.892 -5.607 -7.033 1.00 71.15 H new ATOM 0 HB2 LEU A 33 6.941 -7.128 -8.091 1.00 35.45 H new ATOM 0 HB3 LEU A 33 7.142 -5.621 -8.962 1.00 35.45 H new ATOM 0 HG LEU A 33 7.018 -6.105 -6.054 1.00 23.42 H new ATOM 0 HD11 LEU A 33 9.385 -4.986 -6.101 1.00 52.34 H new ATOM 0 HD12 LEU A 33 9.293 -6.453 -7.105 1.00 52.34 H new ATOM 0 HD13 LEU A 33 9.204 -4.847 -7.866 1.00 52.34 H new ATOM 0 HD21 LEU A 33 7.590 -3.756 -5.516 1.00 22.25 H new ATOM 0 HD22 LEU A 33 7.232 -3.335 -7.208 1.00 22.25 H new ATOM 0 HD23 LEU A 33 5.952 -4.001 -6.167 1.00 22.25 H new ATOM 488 N LYS A 34 3.817 -3.906 -8.463 1.00 64.55 N ATOM 489 CA LYS A 34 3.071 -2.935 -9.273 1.00 15.31 C ATOM 490 C LYS A 34 3.390 -1.502 -8.828 1.00 1.43 C ATOM 491 O LYS A 34 3.780 -1.286 -7.674 1.00 35.53 O ATOM 492 CB LYS A 34 1.576 -3.303 -9.155 1.00 73.55 C ATOM 493 CG LYS A 34 0.801 -3.335 -10.479 1.00 23.20 C ATOM 494 CD LYS A 34 0.166 -2.005 -10.845 1.00 35.21 C ATOM 495 CE LYS A 34 -0.681 -2.185 -12.104 1.00 62.14 C ATOM 496 NZ LYS A 34 0.004 -1.762 -13.336 1.00 61.11 N ATOM 0 H LYS A 34 3.508 -3.940 -7.491 1.00 64.55 H new ATOM 0 HA LYS A 34 3.359 -2.974 -10.323 1.00 15.31 H new ATOM 0 HB2 LYS A 34 1.496 -4.282 -8.683 1.00 73.55 H new ATOM 0 HB3 LYS A 34 1.094 -2.588 -8.489 1.00 73.55 H new ATOM 0 HG2 LYS A 34 1.477 -3.637 -11.279 1.00 23.20 H new ATOM 0 HG3 LYS A 34 0.022 -4.095 -10.416 1.00 23.20 H new ATOM 0 HD2 LYS A 34 -0.453 -1.645 -10.023 1.00 35.21 H new ATOM 0 HD3 LYS A 34 0.938 -1.254 -11.015 1.00 35.21 H new ATOM 0 HE2 LYS A 34 -0.963 -3.234 -12.196 1.00 62.14 H new ATOM 0 HE3 LYS A 34 -1.604 -1.615 -11.996 1.00 62.14 H new ATOM 0 HZ1 LYS A 34 -0.625 -1.910 -14.151 1.00 61.11 H new ATOM 0 HZ2 LYS A 34 0.250 -0.754 -13.268 1.00 61.11 H new ATOM 0 HZ3 LYS A 34 0.871 -2.323 -13.461 1.00 61.11 H new ATOM 506 N GLU A 35 3.232 -0.519 -9.725 1.00 14.21 N ATOM 507 CA GLU A 35 3.522 0.886 -9.444 1.00 23.42 C ATOM 508 C GLU A 35 2.326 1.798 -9.753 1.00 60.32 C ATOM 509 O GLU A 35 1.618 1.631 -10.753 1.00 22.54 O ATOM 510 CB GLU A 35 4.815 1.345 -10.159 1.00 41.14 C ATOM 511 CG GLU A 35 4.732 1.349 -11.698 1.00 10.03 C ATOM 512 CD GLU A 35 5.854 2.102 -12.429 1.00 1.31 C ATOM 513 OE1 GLU A 35 6.833 2.563 -11.798 1.00 5.15 O ATOM 514 OE2 GLU A 35 5.698 2.334 -13.655 1.00 54.15 O ATOM 0 H GLU A 35 2.896 -0.683 -10.674 1.00 14.21 H new ATOM 0 HA GLU A 35 3.699 0.974 -8.372 1.00 23.42 H new ATOM 0 HB2 GLU A 35 5.065 2.350 -9.819 1.00 41.14 H new ATOM 0 HB3 GLU A 35 5.634 0.693 -9.854 1.00 41.14 H new ATOM 0 HG2 GLU A 35 4.728 0.316 -12.045 1.00 10.03 H new ATOM 0 HG3 GLU A 35 3.777 1.786 -11.990 1.00 10.03 H new ATOM 519 N VAL A 36 2.142 2.812 -8.912 1.00 35.33 N ATOM 520 CA VAL A 36 1.219 3.930 -9.073 1.00 1.24 C ATOM 521 C VAL A 36 2.063 5.133 -9.525 1.00 73.14 C ATOM 522 O VAL A 36 3.284 5.156 -9.336 1.00 60.35 O ATOM 523 CB VAL A 36 0.523 4.226 -7.716 1.00 53.04 C ATOM 524 CG1 VAL A 36 -0.691 5.150 -7.909 1.00 32.42 C ATOM 525 CG2 VAL A 36 0.045 2.963 -6.975 1.00 11.13 C ATOM 0 H VAL A 36 2.670 2.878 -8.042 1.00 35.33 H new ATOM 0 HA VAL A 36 0.441 3.711 -9.804 1.00 1.24 H new ATOM 0 HB VAL A 36 1.289 4.707 -7.108 1.00 53.04 H new ATOM 0 HG11 VAL A 36 -1.160 5.341 -6.944 1.00 32.42 H new ATOM 0 HG12 VAL A 36 -0.364 6.093 -8.347 1.00 32.42 H new ATOM 0 HG13 VAL A 36 -1.411 4.671 -8.573 1.00 32.42 H new ATOM 0 HG21 VAL A 36 -0.430 3.250 -6.037 1.00 11.13 H new ATOM 0 HG22 VAL A 36 -0.672 2.426 -7.596 1.00 11.13 H new ATOM 0 HG23 VAL A 36 0.899 2.318 -6.767 1.00 11.13 H new ATOM 535 N LYS A 37 1.445 6.154 -10.114 1.00 34.33 N ATOM 536 CA LYS A 37 1.964 7.511 -10.208 1.00 52.42 C ATOM 537 C LYS A 37 0.809 8.505 -10.071 1.00 73.11 C ATOM 538 O LYS A 37 -0.353 8.082 -10.112 1.00 0.33 O ATOM 539 CB LYS A 37 2.724 7.681 -11.523 1.00 63.51 C ATOM 540 CG LYS A 37 1.887 7.450 -12.792 1.00 31.41 C ATOM 541 CD LYS A 37 2.175 6.119 -13.509 1.00 31.12 C ATOM 542 CE LYS A 37 3.536 6.117 -14.209 1.00 41.05 C ATOM 543 NZ LYS A 37 3.923 4.766 -14.662 1.00 71.24 N ATOM 0 H LYS A 37 0.532 6.051 -10.556 1.00 34.33 H new ATOM 0 HA LYS A 37 2.668 7.707 -9.399 1.00 52.42 H new ATOM 0 HB2 LYS A 37 3.139 8.688 -11.558 1.00 63.51 H new ATOM 0 HB3 LYS A 37 3.566 6.989 -11.531 1.00 63.51 H new ATOM 0 HG2 LYS A 37 0.830 7.485 -12.527 1.00 31.41 H new ATOM 0 HG3 LYS A 37 2.069 8.270 -13.487 1.00 31.41 H new ATOM 0 HD2 LYS A 37 2.140 5.305 -12.785 1.00 31.12 H new ATOM 0 HD3 LYS A 37 1.392 5.927 -14.242 1.00 31.12 H new ATOM 0 HE2 LYS A 37 3.504 6.791 -15.065 1.00 41.05 H new ATOM 0 HE3 LYS A 37 4.295 6.502 -13.528 1.00 41.05 H new ATOM 0 HZ1 LYS A 37 4.401 4.832 -15.583 1.00 71.24 H new ATOM 0 HZ2 LYS A 37 4.568 4.338 -13.967 1.00 71.24 H new ATOM 0 HZ3 LYS A 37 3.073 4.174 -14.755 1.00 71.24 H new ATOM 553 N VAL A 38 1.112 9.799 -9.952 1.00 35.32 N ATOM 554 CA VAL A 38 0.124 10.853 -9.750 1.00 15.21 C ATOM 555 C VAL A 38 0.095 11.776 -10.961 1.00 43.35 C ATOM 556 O VAL A 38 0.745 11.511 -11.975 1.00 31.20 O ATOM 557 CB VAL A 38 0.351 11.589 -8.408 1.00 44.12 C ATOM 558 CG1 VAL A 38 0.252 10.604 -7.247 1.00 55.25 C ATOM 559 CG2 VAL A 38 1.691 12.317 -8.255 1.00 61.11 C ATOM 0 H VAL A 38 2.070 10.147 -9.995 1.00 35.32 H new ATOM 0 HA VAL A 38 -0.869 10.410 -9.668 1.00 15.21 H new ATOM 0 HB VAL A 38 -0.429 12.350 -8.400 1.00 44.12 H new ATOM 0 HG11 VAL A 38 0.413 11.132 -6.307 1.00 55.25 H new ATOM 0 HG12 VAL A 38 -0.737 10.147 -7.241 1.00 55.25 H new ATOM 0 HG13 VAL A 38 1.009 9.829 -7.362 1.00 55.25 H new ATOM 0 HG21 VAL A 38 1.736 12.795 -7.276 1.00 61.11 H new ATOM 0 HG22 VAL A 38 2.507 11.600 -8.347 1.00 61.11 H new ATOM 0 HG23 VAL A 38 1.784 13.075 -9.033 1.00 61.11 H new ATOM 569 N SER A 39 -0.700 12.835 -10.892 1.00 24.14 N ATOM 570 CA SER A 39 -0.696 13.924 -11.827 1.00 32.31 C ATOM 571 C SER A 39 0.669 14.636 -11.819 1.00 2.21 C ATOM 572 O SER A 39 1.390 14.605 -10.814 1.00 51.15 O ATOM 573 CB SER A 39 -1.851 14.851 -11.408 1.00 34.50 C ATOM 574 OG SER A 39 -2.215 14.731 -10.029 1.00 0.01 O ATOM 0 H SER A 39 -1.389 12.952 -10.149 1.00 24.14 H new ATOM 0 HA SER A 39 -0.843 13.586 -12.853 1.00 32.31 H new ATOM 0 HB2 SER A 39 -1.568 15.884 -11.611 1.00 34.50 H new ATOM 0 HB3 SER A 39 -2.723 14.632 -12.025 1.00 34.50 H new ATOM 0 HG SER A 39 -1.765 15.430 -9.510 1.00 0.01 H new ATOM 579 N GLU A 40 1.036 15.286 -12.924 1.00 23.14 N ATOM 580 CA GLU A 40 2.309 15.989 -13.001 1.00 42.12 C ATOM 581 C GLU A 40 2.148 17.421 -12.497 1.00 34.44 C ATOM 582 O GLU A 40 1.145 18.090 -12.767 1.00 73.31 O ATOM 583 CB GLU A 40 2.942 15.859 -14.390 1.00 22.51 C ATOM 584 CG GLU A 40 2.216 16.577 -15.526 1.00 22.43 C ATOM 585 CD GLU A 40 2.863 16.224 -16.865 1.00 10.13 C ATOM 586 OE1 GLU A 40 2.624 15.109 -17.377 1.00 51.31 O ATOM 587 OE2 GLU A 40 3.687 17.012 -17.380 1.00 64.44 O ATOM 0 H GLU A 40 0.471 15.338 -13.771 1.00 23.14 H new ATOM 0 HA GLU A 40 3.030 15.517 -12.334 1.00 42.12 H new ATOM 0 HB2 GLU A 40 3.962 16.239 -14.340 1.00 22.51 H new ATOM 0 HB3 GLU A 40 3.008 14.800 -14.640 1.00 22.51 H new ATOM 0 HG2 GLU A 40 1.164 16.291 -15.534 1.00 22.43 H new ATOM 0 HG3 GLU A 40 2.252 17.655 -15.368 1.00 22.43 H new ATOM 592 N GLY A 41 3.135 17.887 -11.732 1.00 21.10 N ATOM 593 CA GLY A 41 3.097 19.198 -11.114 1.00 63.10 C ATOM 594 C GLY A 41 2.157 19.283 -9.919 1.00 71.41 C ATOM 595 O GLY A 41 1.812 20.400 -9.531 1.00 33.10 O ATOM 0 H GLY A 41 3.983 17.359 -11.527 1.00 21.10 H new ATOM 0 HA2 GLY A 41 4.103 19.469 -10.794 1.00 63.10 H new ATOM 0 HA3 GLY A 41 2.791 19.933 -11.859 1.00 63.10 H new ATOM 599 N THR A 42 1.758 18.154 -9.321 1.00 75.43 N ATOM 600 CA THR A 42 0.993 18.155 -8.090 1.00 55.44 C ATOM 601 C THR A 42 1.845 18.772 -6.989 1.00 64.53 C ATOM 602 O THR A 42 1.319 19.526 -6.185 1.00 32.55 O ATOM 603 CB THR A 42 0.507 16.720 -7.807 1.00 75.45 C ATOM 604 OG1 THR A 42 -0.544 16.436 -8.713 1.00 22.33 O ATOM 605 CG2 THR A 42 -0.017 16.443 -6.395 1.00 23.52 C ATOM 0 H THR A 42 1.961 17.222 -9.683 1.00 75.43 H new ATOM 0 HA THR A 42 0.094 18.768 -8.157 1.00 55.44 H new ATOM 0 HB THR A 42 1.389 16.090 -7.920 1.00 75.45 H new ATOM 0 HG1 THR A 42 -0.177 16.012 -9.517 1.00 22.33 H new ATOM 0 HG21 THR A 42 -0.328 15.401 -6.320 1.00 23.52 H new ATOM 0 HG22 THR A 42 0.772 16.639 -5.669 1.00 23.52 H new ATOM 0 HG23 THR A 42 -0.868 17.092 -6.189 1.00 23.52 H new ATOM 613 N PHE A 43 3.154 18.517 -6.965 1.00 51.23 N ATOM 614 CA PHE A 43 4.039 19.070 -5.953 1.00 15.41 C ATOM 615 C PHE A 43 5.397 19.426 -6.519 1.00 12.44 C ATOM 616 O PHE A 43 5.674 19.214 -7.694 1.00 14.03 O ATOM 617 CB PHE A 43 4.096 18.149 -4.731 1.00 2.05 C ATOM 618 CG PHE A 43 4.127 16.686 -5.063 1.00 60.23 C ATOM 619 CD1 PHE A 43 5.028 16.202 -6.022 1.00 72.52 C ATOM 620 CD2 PHE A 43 3.148 15.855 -4.508 1.00 72.42 C ATOM 621 CE1 PHE A 43 4.942 14.871 -6.459 1.00 14.22 C ATOM 622 CE2 PHE A 43 3.055 14.520 -4.950 1.00 41.01 C ATOM 623 CZ PHE A 43 3.950 14.032 -5.920 1.00 52.12 C ATOM 0 H PHE A 43 3.624 17.922 -7.647 1.00 51.23 H new ATOM 0 HA PHE A 43 3.626 20.018 -5.608 1.00 15.41 H new ATOM 0 HB2 PHE A 43 4.982 18.396 -4.145 1.00 2.05 H new ATOM 0 HB3 PHE A 43 3.230 18.348 -4.099 1.00 2.05 H new ATOM 0 HD1 PHE A 43 5.789 16.854 -6.425 1.00 72.52 H new ATOM 0 HD2 PHE A 43 2.474 16.231 -3.752 1.00 72.42 H new ATOM 0 HE1 PHE A 43 5.630 14.495 -7.201 1.00 14.22 H new ATOM 0 HE2 PHE A 43 2.295 13.870 -4.543 1.00 41.01 H new ATOM 0 HZ PHE A 43 3.875 13.007 -6.253 1.00 52.12 H new ATOM 632 N ASP A 44 6.238 19.940 -5.636 1.00 2.34 N ATOM 633 CA ASP A 44 7.637 20.270 -5.830 1.00 3.11 C ATOM 634 C ASP A 44 8.437 19.423 -4.840 1.00 54.21 C ATOM 635 O ASP A 44 7.929 18.394 -4.382 1.00 15.01 O ATOM 636 CB ASP A 44 7.788 21.799 -5.718 1.00 15.13 C ATOM 637 CG ASP A 44 7.728 22.391 -7.133 1.00 72.40 C ATOM 638 OD1 ASP A 44 8.620 22.088 -7.963 1.00 23.33 O ATOM 639 OD2 ASP A 44 6.703 23.016 -7.494 1.00 53.33 O ATOM 0 H ASP A 44 5.932 20.154 -4.687 1.00 2.34 H new ATOM 0 HA ASP A 44 8.033 20.026 -6.816 1.00 3.11 H new ATOM 0 HB2 ASP A 44 6.994 22.215 -5.098 1.00 15.13 H new ATOM 0 HB3 ASP A 44 8.733 22.054 -5.239 1.00 15.13 H new ATOM 643 N ALA A 45 9.686 19.762 -4.526 1.00 44.10 N ATOM 644 CA ALA A 45 10.531 18.984 -3.617 1.00 0.02 C ATOM 645 C ALA A 45 10.878 19.782 -2.353 1.00 55.33 C ATOM 646 O ALA A 45 11.791 19.400 -1.621 1.00 24.41 O ATOM 647 CB ALA A 45 11.778 18.511 -4.371 1.00 50.40 C ATOM 0 H ALA A 45 10.146 20.593 -4.898 1.00 44.10 H new ATOM 0 HA ALA A 45 9.983 18.106 -3.275 1.00 0.02 H new ATOM 0 HB1 ALA A 45 12.411 17.931 -3.699 1.00 50.40 H new ATOM 0 HB2 ALA A 45 11.479 17.889 -5.215 1.00 50.40 H new ATOM 0 HB3 ALA A 45 12.332 19.376 -4.736 1.00 50.40 H new ATOM 653 N ASP A 46 10.184 20.900 -2.107 1.00 72.43 N ATOM 654 CA ASP A 46 10.585 21.895 -1.120 1.00 23.12 C ATOM 655 C ASP A 46 10.298 21.400 0.304 1.00 73.31 C ATOM 656 O ASP A 46 9.787 20.288 0.508 1.00 52.22 O ATOM 657 CB ASP A 46 9.894 23.238 -1.429 1.00 61.22 C ATOM 658 CG ASP A 46 10.778 24.449 -1.090 1.00 44.50 C ATOM 659 OD1 ASP A 46 11.333 24.493 0.028 1.00 74.44 O ATOM 660 OD2 ASP A 46 10.926 25.352 -1.945 1.00 1.35 O ATOM 0 H ASP A 46 9.320 21.136 -2.596 1.00 72.43 H new ATOM 0 HA ASP A 46 11.662 22.053 -1.180 1.00 23.12 H new ATOM 0 HB2 ASP A 46 9.628 23.271 -2.486 1.00 61.22 H new ATOM 0 HB3 ASP A 46 8.964 23.302 -0.864 1.00 61.22 H new ATOM 664 N MET A 47 10.606 22.219 1.304 1.00 43.50 N ATOM 665 CA MET A 47 10.206 22.058 2.687 1.00 52.11 C ATOM 666 C MET A 47 8.864 22.749 2.930 1.00 72.24 C ATOM 667 O MET A 47 7.920 22.103 3.393 1.00 64.23 O ATOM 668 CB MET A 47 11.333 22.605 3.583 1.00 71.41 C ATOM 669 CG MET A 47 10.927 22.681 5.057 1.00 52.54 C ATOM 670 SD MET A 47 12.255 22.920 6.267 1.00 62.33 S ATOM 671 CE MET A 47 13.064 24.428 5.660 1.00 40.14 C ATOM 0 H MET A 47 11.171 23.055 1.158 1.00 43.50 H new ATOM 0 HA MET A 47 10.057 21.006 2.932 1.00 52.11 H new ATOM 0 HB2 MET A 47 12.212 21.968 3.484 1.00 71.41 H new ATOM 0 HB3 MET A 47 11.618 23.598 3.237 1.00 71.41 H new ATOM 0 HG2 MET A 47 10.215 23.498 5.170 1.00 52.54 H new ATOM 0 HG3 MET A 47 10.400 21.761 5.311 1.00 52.54 H new ATOM 0 HE1 MET A 47 13.897 24.683 6.315 1.00 40.14 H new ATOM 0 HE2 MET A 47 13.436 24.260 4.649 1.00 40.14 H new ATOM 0 HE3 MET A 47 12.346 25.248 5.651 1.00 40.14 H new ATOM 679 N TYR A 48 8.785 24.051 2.654 1.00 55.43 N ATOM 680 CA TYR A 48 7.608 24.874 2.925 1.00 20.42 C ATOM 681 C TYR A 48 6.588 24.747 1.798 1.00 13.23 C ATOM 682 O TYR A 48 5.446 24.378 2.056 1.00 75.24 O ATOM 683 CB TYR A 48 8.017 26.336 3.190 1.00 60.40 C ATOM 684 CG TYR A 48 9.206 26.829 2.386 1.00 22.01 C ATOM 685 CD1 TYR A 48 10.504 26.576 2.872 1.00 13.33 C ATOM 686 CD2 TYR A 48 9.031 27.483 1.151 1.00 3.15 C ATOM 687 CE1 TYR A 48 11.628 26.955 2.127 1.00 14.42 C ATOM 688 CE2 TYR A 48 10.154 27.855 0.390 1.00 35.02 C ATOM 689 CZ TYR A 48 11.455 27.584 0.876 1.00 43.34 C ATOM 690 OH TYR A 48 12.558 27.928 0.157 1.00 24.14 O ATOM 0 H TYR A 48 9.552 24.572 2.228 1.00 55.43 H new ATOM 0 HA TYR A 48 7.124 24.510 3.831 1.00 20.42 H new ATOM 0 HB2 TYR A 48 7.163 26.980 2.978 1.00 60.40 H new ATOM 0 HB3 TYR A 48 8.244 26.447 4.250 1.00 60.40 H new ATOM 0 HD1 TYR A 48 10.633 26.086 3.826 1.00 13.33 H new ATOM 0 HD2 TYR A 48 8.037 27.698 0.789 1.00 3.15 H new ATOM 0 HE1 TYR A 48 12.621 26.767 2.508 1.00 14.42 H new ATOM 0 HE2 TYR A 48 10.024 28.346 -0.563 1.00 35.02 H new ATOM 0 HH TYR A 48 12.282 28.351 -0.683 1.00 24.14 H new ATOM 699 N LYS A 49 6.987 25.007 0.544 1.00 13.42 N ATOM 700 CA LYS A 49 6.048 25.089 -0.577 1.00 0.41 C ATOM 701 C LYS A 49 5.204 23.826 -0.681 1.00 22.21 C ATOM 702 O LYS A 49 3.991 23.910 -0.842 1.00 13.31 O ATOM 703 CB LYS A 49 6.806 25.376 -1.886 1.00 20.04 C ATOM 704 CG LYS A 49 5.861 25.523 -3.091 1.00 33.32 C ATOM 705 CD LYS A 49 6.059 26.817 -3.888 1.00 21.42 C ATOM 706 CE LYS A 49 5.329 26.640 -5.222 1.00 71.40 C ATOM 707 NZ LYS A 49 5.118 27.900 -5.953 1.00 12.32 N ATOM 0 H LYS A 49 7.960 25.164 0.283 1.00 13.42 H new ATOM 0 HA LYS A 49 5.362 25.917 -0.396 1.00 0.41 H new ATOM 0 HB2 LYS A 49 7.390 26.290 -1.772 1.00 20.04 H new ATOM 0 HB3 LYS A 49 7.512 24.568 -2.078 1.00 20.04 H new ATOM 0 HG2 LYS A 49 6.005 24.673 -3.758 1.00 33.32 H new ATOM 0 HG3 LYS A 49 4.831 25.480 -2.738 1.00 33.32 H new ATOM 0 HD2 LYS A 49 5.660 27.671 -3.341 1.00 21.42 H new ATOM 0 HD3 LYS A 49 7.119 27.010 -4.052 1.00 21.42 H new ATOM 0 HE2 LYS A 49 5.900 25.957 -5.851 1.00 71.40 H new ATOM 0 HE3 LYS A 49 4.362 26.171 -5.038 1.00 71.40 H new ATOM 0 HZ1 LYS A 49 4.619 27.705 -6.845 1.00 12.32 H new ATOM 0 HZ2 LYS A 49 4.548 28.547 -5.372 1.00 12.32 H new ATOM 0 HZ3 LYS A 49 6.038 28.340 -6.160 1.00 12.32 H new ATOM 717 N THR A 50 5.832 22.660 -0.587 1.00 31.15 N ATOM 718 CA THR A 50 5.130 21.393 -0.675 1.00 73.00 C ATOM 719 C THR A 50 4.183 21.122 0.495 1.00 31.33 C ATOM 720 O THR A 50 3.173 20.447 0.283 1.00 51.42 O ATOM 721 CB THR A 50 6.181 20.294 -0.755 1.00 41.32 C ATOM 722 OG1 THR A 50 7.147 20.525 0.251 1.00 33.01 O ATOM 723 CG2 THR A 50 6.873 20.318 -2.109 1.00 52.20 C ATOM 0 H THR A 50 6.838 22.570 -0.448 1.00 31.15 H new ATOM 0 HA THR A 50 4.495 21.423 -1.560 1.00 73.00 H new ATOM 0 HB THR A 50 5.699 19.326 -0.619 1.00 41.32 H new ATOM 0 HG1 THR A 50 8.030 20.250 -0.074 1.00 33.01 H new ATOM 0 HG21 THR A 50 7.621 19.526 -2.149 1.00 52.20 H new ATOM 0 HG22 THR A 50 6.136 20.162 -2.897 1.00 52.20 H new ATOM 0 HG23 THR A 50 7.358 21.283 -2.252 1.00 52.20 H new ATOM 731 N SER A 51 4.479 21.593 1.717 1.00 74.22 N ATOM 732 CA SER A 51 3.629 21.261 2.850 1.00 60.22 C ATOM 733 C SER A 51 2.274 21.946 2.690 1.00 74.03 C ATOM 734 O SER A 51 1.271 21.403 3.148 1.00 15.54 O ATOM 735 CB SER A 51 4.321 21.540 4.197 1.00 52.53 C ATOM 736 OG SER A 51 4.314 22.899 4.606 1.00 32.14 O ATOM 0 H SER A 51 5.279 22.188 1.934 1.00 74.22 H new ATOM 0 HA SER A 51 3.446 20.187 2.861 1.00 60.22 H new ATOM 0 HB2 SER A 51 3.836 20.942 4.968 1.00 52.53 H new ATOM 0 HB3 SER A 51 5.355 21.201 4.134 1.00 52.53 H new ATOM 0 HG SER A 51 4.654 23.461 3.879 1.00 32.14 H new ATOM 741 N ASP A 52 2.219 23.101 2.017 1.00 31.02 N ATOM 742 CA ASP A 52 0.962 23.780 1.724 1.00 62.00 C ATOM 743 C ASP A 52 0.047 22.910 0.876 1.00 32.21 C ATOM 744 O ASP A 52 -1.152 22.850 1.130 1.00 61.33 O ATOM 745 CB ASP A 52 1.191 25.079 0.950 1.00 42.24 C ATOM 746 CG ASP A 52 -0.143 25.820 0.864 1.00 60.10 C ATOM 747 OD1 ASP A 52 -0.659 26.229 1.929 1.00 52.41 O ATOM 748 OD2 ASP A 52 -0.683 25.957 -0.253 1.00 42.52 O ATOM 0 H ASP A 52 3.044 23.586 1.663 1.00 31.02 H new ATOM 0 HA ASP A 52 0.503 23.991 2.690 1.00 62.00 H new ATOM 0 HB2 ASP A 52 1.937 25.695 1.452 1.00 42.24 H new ATOM 0 HB3 ASP A 52 1.573 24.865 -0.048 1.00 42.24 H new ATOM 752 N ILE A 53 0.623 22.236 -0.121 1.00 12.13 N ATOM 753 CA ILE A 53 -0.088 21.409 -1.089 1.00 71.03 C ATOM 754 C ILE A 53 -0.671 20.232 -0.335 1.00 2.35 C ATOM 755 O ILE A 53 -1.878 20.035 -0.331 1.00 41.43 O ATOM 756 CB ILE A 53 0.835 20.922 -2.239 1.00 74.41 C ATOM 757 CG1 ILE A 53 1.722 22.075 -2.765 1.00 33.41 C ATOM 758 CG2 ILE A 53 -0.037 20.329 -3.351 1.00 34.03 C ATOM 759 CD1 ILE A 53 2.794 21.646 -3.763 1.00 22.32 C ATOM 0 H ILE A 53 1.630 22.253 -0.279 1.00 12.13 H new ATOM 0 HA ILE A 53 -0.873 21.999 -1.563 1.00 71.03 H new ATOM 0 HB ILE A 53 1.511 20.152 -1.867 1.00 74.41 H new ATOM 0 HG12 ILE A 53 1.083 22.822 -3.236 1.00 33.41 H new ATOM 0 HG13 ILE A 53 2.206 22.559 -1.917 1.00 33.41 H new ATOM 0 HG21 ILE A 53 0.598 19.983 -4.166 1.00 34.03 H new ATOM 0 HG22 ILE A 53 -0.610 19.490 -2.956 1.00 34.03 H new ATOM 0 HG23 ILE A 53 -0.721 21.092 -3.723 1.00 34.03 H new ATOM 0 HD11 ILE A 53 3.368 22.518 -4.078 1.00 22.32 H new ATOM 0 HD12 ILE A 53 3.461 20.924 -3.292 1.00 22.32 H new ATOM 0 HD13 ILE A 53 2.320 21.190 -4.632 1.00 22.32 H new ATOM 770 N ALA A 54 0.175 19.475 0.361 1.00 15.34 N ATOM 771 CA ALA A 54 -0.285 18.297 1.073 1.00 21.34 C ATOM 772 C ALA A 54 -1.314 18.644 2.155 1.00 73.14 C ATOM 773 O ALA A 54 -2.103 17.779 2.521 1.00 42.33 O ATOM 774 CB ALA A 54 0.925 17.583 1.656 1.00 72.32 C ATOM 0 H ALA A 54 1.175 19.659 0.444 1.00 15.34 H new ATOM 0 HA ALA A 54 -0.799 17.635 0.376 1.00 21.34 H new ATOM 0 HB1 ALA A 54 0.598 16.694 2.195 1.00 72.32 H new ATOM 0 HB2 ALA A 54 1.598 17.291 0.850 1.00 72.32 H new ATOM 0 HB3 ALA A 54 1.447 18.251 2.341 1.00 72.32 H new ATOM 780 N LEU A 55 -1.323 19.885 2.651 1.00 21.35 N ATOM 781 CA LEU A 55 -2.323 20.394 3.579 1.00 64.34 C ATOM 782 C LEU A 55 -3.597 20.846 2.854 1.00 60.22 C ATOM 783 O LEU A 55 -4.693 20.719 3.407 1.00 33.14 O ATOM 784 CB LEU A 55 -1.694 21.550 4.367 1.00 60.13 C ATOM 785 CG LEU A 55 -2.526 22.022 5.567 1.00 61.40 C ATOM 786 CD1 LEU A 55 -2.654 20.943 6.652 1.00 43.32 C ATOM 787 CD2 LEU A 55 -1.883 23.268 6.182 1.00 31.32 C ATOM 0 H LEU A 55 -0.614 20.577 2.408 1.00 21.35 H new ATOM 0 HA LEU A 55 -2.626 19.598 4.259 1.00 64.34 H new ATOM 0 HB2 LEU A 55 -0.711 21.241 4.721 1.00 60.13 H new ATOM 0 HB3 LEU A 55 -1.540 22.392 3.693 1.00 60.13 H new ATOM 0 HG LEU A 55 -3.526 22.246 5.196 1.00 61.40 H new ATOM 0 HD11 LEU A 55 -3.252 21.327 7.479 1.00 43.32 H new ATOM 0 HD12 LEU A 55 -3.139 20.061 6.233 1.00 43.32 H new ATOM 0 HD13 LEU A 55 -1.662 20.673 7.016 1.00 43.32 H new ATOM 0 HD21 LEU A 55 -2.476 23.601 7.034 1.00 31.32 H new ATOM 0 HD22 LEU A 55 -0.873 23.030 6.514 1.00 31.32 H new ATOM 0 HD23 LEU A 55 -1.842 24.062 5.436 1.00 31.32 H new ATOM 798 N ASP A 56 -3.485 21.340 1.617 1.00 21.02 N ATOM 799 CA ASP A 56 -4.591 21.629 0.705 1.00 43.44 C ATOM 800 C ASP A 56 -5.427 20.390 0.394 1.00 42.12 C ATOM 801 O ASP A 56 -6.632 20.497 0.182 1.00 51.13 O ATOM 802 CB ASP A 56 -4.159 22.431 -0.541 1.00 23.23 C ATOM 803 CG ASP A 56 -3.795 21.785 -1.885 1.00 41.52 C ATOM 804 OD1 ASP A 56 -4.280 20.691 -2.245 1.00 62.04 O ATOM 805 OD2 ASP A 56 -3.117 22.490 -2.675 1.00 24.22 O ATOM 0 H ASP A 56 -2.577 21.559 1.207 1.00 21.02 H new ATOM 0 HA ASP A 56 -5.263 22.302 1.238 1.00 43.44 H new ATOM 0 HB2 ASP A 56 -4.966 23.133 -0.748 1.00 23.23 H new ATOM 0 HB3 ASP A 56 -3.293 23.021 -0.240 1.00 23.23 H new ATOM 809 N GLN A 57 -4.870 19.209 0.615 1.00 14.43 N ATOM 810 CA GLN A 57 -5.550 17.930 0.434 1.00 21.11 C ATOM 811 C GLN A 57 -6.053 17.324 1.764 1.00 62.22 C ATOM 812 O GLN A 57 -6.426 16.151 1.792 1.00 60.41 O ATOM 813 CB GLN A 57 -4.593 16.960 -0.288 1.00 51.12 C ATOM 814 CG GLN A 57 -3.933 17.589 -1.528 1.00 24.04 C ATOM 815 CD GLN A 57 -2.781 16.769 -2.106 1.00 60.31 C ATOM 816 OE1 GLN A 57 -2.088 16.033 -1.403 1.00 43.15 O ATOM 817 NE2 GLN A 57 -2.500 16.930 -3.387 1.00 53.45 N ATOM 0 H GLN A 57 -3.906 19.108 0.934 1.00 14.43 H new ATOM 0 HA GLN A 57 -6.441 18.100 -0.170 1.00 21.11 H new ATOM 0 HB2 GLN A 57 -3.818 16.637 0.407 1.00 51.12 H new ATOM 0 HB3 GLN A 57 -5.144 16.069 -0.588 1.00 51.12 H new ATOM 0 HG2 GLN A 57 -4.691 17.725 -2.300 1.00 24.04 H new ATOM 0 HG3 GLN A 57 -3.563 18.580 -1.266 1.00 24.04 H new ATOM 0 HE21 GLN A 57 -3.079 17.541 -3.963 1.00 53.45 H new ATOM 0 HE22 GLN A 57 -1.705 16.443 -3.800 1.00 53.45 H new ATOM 824 N ILE A 58 -6.038 18.073 2.877 1.00 64.42 N ATOM 825 CA ILE A 58 -6.362 17.570 4.220 1.00 20.12 C ATOM 826 C ILE A 58 -7.496 18.379 4.846 1.00 32.13 C ATOM 827 O ILE A 58 -8.527 17.828 5.235 1.00 13.44 O ATOM 828 CB ILE A 58 -5.089 17.571 5.105 1.00 11.11 C ATOM 829 CG1 ILE A 58 -4.140 16.453 4.630 1.00 42.15 C ATOM 830 CG2 ILE A 58 -5.349 17.430 6.627 1.00 51.54 C ATOM 831 CD1 ILE A 58 -2.812 16.478 5.385 1.00 34.34 C ATOM 0 H ILE A 58 -5.796 19.064 2.868 1.00 64.42 H new ATOM 0 HA ILE A 58 -6.714 16.542 4.141 1.00 20.12 H new ATOM 0 HB ILE A 58 -4.639 18.556 4.981 1.00 11.11 H new ATOM 0 HG12 ILE A 58 -4.620 15.485 4.771 1.00 42.15 H new ATOM 0 HG13 ILE A 58 -3.953 16.564 3.562 1.00 42.15 H new ATOM 0 HG21 ILE A 58 -4.399 17.441 7.161 1.00 51.54 H new ATOM 0 HG22 ILE A 58 -5.967 18.260 6.969 1.00 51.54 H new ATOM 0 HG23 ILE A 58 -5.864 16.489 6.823 1.00 51.54 H new ATOM 0 HD11 ILE A 58 -2.171 15.675 5.021 1.00 34.34 H new ATOM 0 HD12 ILE A 58 -2.319 17.437 5.223 1.00 34.34 H new ATOM 0 HD13 ILE A 58 -2.997 16.340 6.450 1.00 34.34 H new ATOM 842 N GLN A 59 -7.279 19.686 5.002 1.00 41.32 N ATOM 843 CA GLN A 59 -8.214 20.614 5.627 1.00 23.03 C ATOM 844 C GLN A 59 -9.592 20.620 4.938 1.00 72.13 C ATOM 845 O GLN A 59 -10.586 20.978 5.576 1.00 1.44 O ATOM 846 CB GLN A 59 -7.589 22.023 5.639 1.00 11.20 C ATOM 847 CG GLN A 59 -6.451 22.168 6.655 1.00 24.33 C ATOM 848 CD GLN A 59 -6.097 23.644 6.783 1.00 31.23 C ATOM 849 OE1 GLN A 59 -5.206 24.144 5.947 1.00 22.33 O flip ATOM 850 NE2 GLN A 59 -6.715 24.370 7.555 1.00 4.22 N flip ATOM 0 H GLN A 59 -6.421 20.138 4.686 1.00 41.32 H new ATOM 0 HA GLN A 59 -8.393 20.282 6.650 1.00 23.03 H new ATOM 0 HB2 GLN A 59 -7.211 22.254 4.643 1.00 11.20 H new ATOM 0 HB3 GLN A 59 -8.364 22.756 5.864 1.00 11.20 H new ATOM 0 HG2 GLN A 59 -6.754 21.767 7.622 1.00 24.33 H new ATOM 0 HG3 GLN A 59 -5.581 21.597 6.332 1.00 24.33 H new ATOM 0 HE21 GLN A 59 -7.400 23.968 8.195 1.00 4.22 H new ATOM 0 HE22 GLN A 59 -6.544 25.375 7.557 1.00 4.22 H new ATOM 857 N GLY A 60 -9.661 20.191 3.678 1.00 2.20 N ATOM 858 CA GLY A 60 -10.837 20.222 2.826 1.00 53.41 C ATOM 859 C GLY A 60 -10.833 21.420 1.878 1.00 75.43 C ATOM 860 O GLY A 60 -11.837 21.695 1.229 1.00 2.53 O ATOM 0 H GLY A 60 -8.851 19.792 3.204 1.00 2.20 H new ATOM 0 HA2 GLY A 60 -10.886 19.301 2.245 1.00 53.41 H new ATOM 0 HA3 GLY A 60 -11.732 20.255 3.447 1.00 53.41 H new ATOM 864 N ASN A 61 -9.714 22.145 1.813 1.00 32.24 N ATOM 865 CA ASN A 61 -9.509 23.293 0.944 1.00 12.53 C ATOM 866 C ASN A 61 -9.573 22.853 -0.516 1.00 20.13 C ATOM 867 O ASN A 61 -10.205 23.536 -1.317 1.00 61.13 O ATOM 868 CB ASN A 61 -8.156 23.985 1.211 1.00 13.11 C ATOM 869 CG ASN A 61 -7.865 24.386 2.659 1.00 20.04 C ATOM 870 OD1 ASN A 61 -8.714 24.328 3.551 1.00 55.24 O ATOM 871 ND2 ASN A 61 -6.640 24.783 2.945 1.00 1.34 N ATOM 0 H ASN A 61 -8.898 21.936 2.388 1.00 32.24 H new ATOM 0 HA ASN A 61 -10.301 24.011 1.156 1.00 12.53 H new ATOM 0 HB2 ASN A 61 -7.361 23.319 0.876 1.00 13.11 H new ATOM 0 HB3 ASN A 61 -8.104 24.881 0.592 1.00 13.11 H new ATOM 0 HD21 ASN A 61 -6.398 25.041 3.902 1.00 1.34 H new ATOM 0 HD22 ASN A 61 -5.935 24.832 2.209 1.00 1.34 H new ATOM 877 N LYS A 62 -8.950 21.724 -0.883 1.00 60.01 N ATOM 878 CA LYS A 62 -8.837 21.266 -2.260 1.00 41.22 C ATOM 879 C LYS A 62 -9.348 19.837 -2.381 1.00 21.02 C ATOM 880 O LYS A 62 -9.639 19.160 -1.385 1.00 23.14 O ATOM 881 CB LYS A 62 -7.364 21.413 -2.719 1.00 0.33 C ATOM 882 CG LYS A 62 -7.176 22.422 -3.862 1.00 35.33 C ATOM 883 CD LYS A 62 -6.740 21.729 -5.154 1.00 61.33 C ATOM 884 CE LYS A 62 -6.344 22.766 -6.207 1.00 41.44 C ATOM 885 NZ LYS A 62 -5.440 22.173 -7.210 1.00 44.42 N ATOM 0 H LYS A 62 -8.505 21.097 -0.212 1.00 60.01 H new ATOM 0 HA LYS A 62 -9.456 21.876 -2.918 1.00 41.22 H new ATOM 0 HB2 LYS A 62 -6.756 21.722 -1.869 1.00 0.33 H new ATOM 0 HB3 LYS A 62 -6.993 20.440 -3.040 1.00 0.33 H new ATOM 0 HG2 LYS A 62 -8.109 22.959 -4.033 1.00 35.33 H new ATOM 0 HG3 LYS A 62 -6.430 23.163 -3.576 1.00 35.33 H new ATOM 0 HD2 LYS A 62 -5.899 21.066 -4.953 1.00 61.33 H new ATOM 0 HD3 LYS A 62 -7.552 21.108 -5.533 1.00 61.33 H new ATOM 0 HE2 LYS A 62 -7.237 23.152 -6.698 1.00 41.44 H new ATOM 0 HE3 LYS A 62 -5.855 23.612 -5.725 1.00 41.44 H new ATOM 0 HZ1 LYS A 62 -5.183 22.893 -7.915 1.00 44.42 H new ATOM 0 HZ2 LYS A 62 -4.579 21.827 -6.740 1.00 44.42 H new ATOM 0 HZ3 LYS A 62 -5.919 21.380 -7.683 1.00 44.42 H new ATOM 895 N ASP A 63 -9.468 19.383 -3.622 1.00 52.55 N ATOM 896 CA ASP A 63 -9.612 17.986 -4.011 1.00 1.32 C ATOM 897 C ASP A 63 -8.276 17.243 -3.842 1.00 53.15 C ATOM 898 O ASP A 63 -7.356 17.732 -3.178 1.00 64.35 O ATOM 899 CB ASP A 63 -10.147 17.916 -5.446 1.00 53.54 C ATOM 900 CG ASP A 63 -9.223 18.608 -6.442 1.00 21.03 C ATOM 901 OD1 ASP A 63 -8.263 17.979 -6.935 1.00 23.41 O ATOM 902 OD2 ASP A 63 -9.485 19.793 -6.752 1.00 13.14 O ATOM 0 H ASP A 63 -9.467 20.011 -4.425 1.00 52.55 H new ATOM 0 HA ASP A 63 -10.331 17.487 -3.361 1.00 1.32 H new ATOM 0 HB2 ASP A 63 -10.272 16.872 -5.734 1.00 53.54 H new ATOM 0 HB3 ASP A 63 -11.133 18.378 -5.487 1.00 53.54 H new ATOM 906 N PHE A 64 -8.197 16.008 -4.337 1.00 4.20 N ATOM 907 CA PHE A 64 -7.109 15.063 -4.106 1.00 44.51 C ATOM 908 C PHE A 64 -6.440 14.718 -5.448 1.00 11.12 C ATOM 909 O PHE A 64 -7.077 14.839 -6.499 1.00 41.12 O ATOM 910 CB PHE A 64 -7.676 13.827 -3.376 1.00 21.21 C ATOM 911 CG PHE A 64 -9.025 13.332 -3.868 1.00 54.32 C ATOM 912 CD1 PHE A 64 -9.135 12.758 -5.146 1.00 52.45 C ATOM 913 CD2 PHE A 64 -10.173 13.469 -3.062 1.00 33.33 C ATOM 914 CE1 PHE A 64 -10.385 12.315 -5.614 1.00 22.04 C ATOM 915 CE2 PHE A 64 -11.423 13.016 -3.527 1.00 3.32 C ATOM 916 CZ PHE A 64 -11.527 12.440 -4.805 1.00 51.51 C ATOM 0 H PHE A 64 -8.925 15.623 -4.938 1.00 4.20 H new ATOM 0 HA PHE A 64 -6.336 15.494 -3.470 1.00 44.51 H new ATOM 0 HB2 PHE A 64 -6.956 13.013 -3.466 1.00 21.21 H new ATOM 0 HB3 PHE A 64 -7.761 14.062 -2.315 1.00 21.21 H new ATOM 0 HD1 PHE A 64 -8.259 12.657 -5.769 1.00 52.45 H new ATOM 0 HD2 PHE A 64 -10.094 13.923 -2.085 1.00 33.33 H new ATOM 0 HE1 PHE A 64 -10.467 11.877 -6.598 1.00 22.04 H new ATOM 0 HE2 PHE A 64 -12.299 13.111 -2.903 1.00 3.32 H new ATOM 0 HZ PHE A 64 -12.484 12.094 -5.165 1.00 51.51 H new ATOM 925 N PRO A 65 -5.173 14.274 -5.443 1.00 24.33 N ATOM 926 CA PRO A 65 -4.411 14.036 -6.665 1.00 11.53 C ATOM 927 C PRO A 65 -4.967 12.819 -7.404 1.00 22.31 C ATOM 928 O PRO A 65 -5.249 11.794 -6.782 1.00 40.13 O ATOM 929 CB PRO A 65 -2.974 13.807 -6.194 1.00 72.31 C ATOM 930 CG PRO A 65 -3.147 13.241 -4.783 1.00 21.21 C ATOM 931 CD PRO A 65 -4.360 13.997 -4.266 1.00 12.50 C ATOM 0 HA PRO A 65 -4.468 14.867 -7.368 1.00 11.53 H new ATOM 0 HB2 PRO A 65 -2.445 13.110 -6.844 1.00 72.31 H new ATOM 0 HB3 PRO A 65 -2.401 14.734 -6.187 1.00 72.31 H new ATOM 0 HG2 PRO A 65 -3.316 12.164 -4.797 1.00 21.21 H new ATOM 0 HG3 PRO A 65 -2.266 13.417 -4.165 1.00 21.21 H new ATOM 0 HD2 PRO A 65 -4.912 13.403 -3.538 1.00 12.50 H new ATOM 0 HD3 PRO A 65 -4.065 14.920 -3.766 1.00 12.50 H new ATOM 936 N GLU A 66 -5.078 12.867 -8.727 1.00 3.02 N ATOM 937 CA GLU A 66 -5.494 11.721 -9.530 1.00 42.34 C ATOM 938 C GLU A 66 -4.370 10.675 -9.599 1.00 75.45 C ATOM 939 O GLU A 66 -3.211 10.973 -9.290 1.00 63.41 O ATOM 940 CB GLU A 66 -5.948 12.189 -10.922 1.00 3.30 C ATOM 941 CG GLU A 66 -4.915 13.096 -11.607 1.00 43.02 C ATOM 942 CD GLU A 66 -5.130 13.257 -13.118 1.00 12.14 C ATOM 943 OE1 GLU A 66 -5.445 12.247 -13.792 1.00 44.01 O ATOM 944 OE2 GLU A 66 -4.909 14.357 -13.657 1.00 33.33 O ATOM 0 H GLU A 66 -4.881 13.704 -9.275 1.00 3.02 H new ATOM 0 HA GLU A 66 -6.348 11.237 -9.056 1.00 42.34 H new ATOM 0 HB2 GLU A 66 -6.135 11.318 -11.551 1.00 3.30 H new ATOM 0 HB3 GLU A 66 -6.893 12.725 -10.831 1.00 3.30 H new ATOM 0 HG2 GLU A 66 -4.944 14.080 -11.139 1.00 43.02 H new ATOM 0 HG3 GLU A 66 -3.918 12.690 -11.433 1.00 43.02 H new ATOM 949 N ILE A 67 -4.684 9.444 -10.015 1.00 3.02 N ATOM 950 CA ILE A 67 -3.694 8.393 -10.267 1.00 51.33 C ATOM 951 C ILE A 67 -3.697 8.044 -11.743 1.00 15.43 C ATOM 952 O ILE A 67 -4.719 8.170 -12.415 1.00 71.21 O ATOM 953 CB ILE A 67 -3.934 7.135 -9.396 1.00 75.12 C ATOM 954 CG1 ILE A 67 -5.362 6.555 -9.520 1.00 31.13 C ATOM 955 CG2 ILE A 67 -3.580 7.447 -7.939 1.00 43.21 C ATOM 956 CD1 ILE A 67 -5.537 5.221 -8.783 1.00 62.54 C ATOM 0 H ILE A 67 -5.644 9.146 -10.188 1.00 3.02 H new ATOM 0 HA ILE A 67 -2.713 8.776 -9.986 1.00 51.33 H new ATOM 0 HB ILE A 67 -3.277 6.351 -9.774 1.00 75.12 H new ATOM 0 HG12 ILE A 67 -6.076 7.277 -9.125 1.00 31.13 H new ATOM 0 HG13 ILE A 67 -5.600 6.414 -10.574 1.00 31.13 H new ATOM 0 HG21 ILE A 67 -3.749 6.562 -7.326 1.00 43.21 H new ATOM 0 HG22 ILE A 67 -2.532 7.739 -7.874 1.00 43.21 H new ATOM 0 HG23 ILE A 67 -4.207 8.263 -7.579 1.00 43.21 H new ATOM 0 HD11 ILE A 67 -6.560 4.867 -8.909 1.00 62.54 H new ATOM 0 HD12 ILE A 67 -4.846 4.485 -9.194 1.00 62.54 H new ATOM 0 HD13 ILE A 67 -5.329 5.361 -7.722 1.00 62.54 H new ATOM 967 N GLN A 68 -2.559 7.546 -12.219 1.00 40.15 N ATOM 968 CA GLN A 68 -2.328 7.140 -13.588 1.00 31.50 C ATOM 969 C GLN A 68 -1.941 5.676 -13.489 1.00 75.24 C ATOM 970 O GLN A 68 -0.812 5.268 -13.197 1.00 22.10 O ATOM 971 CB GLN A 68 -1.292 8.002 -14.310 1.00 53.24 C ATOM 972 CG GLN A 68 -1.148 9.428 -13.789 1.00 63.24 C ATOM 973 CD GLN A 68 -2.285 10.357 -14.200 1.00 42.01 C ATOM 974 OE1 GLN A 68 -2.808 11.163 -13.293 1.00 24.23 O flip ATOM 975 NE2 GLN A 68 -2.716 10.366 -15.348 1.00 32.21 N flip ATOM 0 H GLN A 68 -1.739 7.411 -11.627 1.00 40.15 H new ATOM 0 HA GLN A 68 -3.215 7.278 -14.207 1.00 31.50 H new ATOM 0 HB2 GLN A 68 -0.322 7.509 -14.241 1.00 53.24 H new ATOM 0 HB3 GLN A 68 -1.553 8.044 -15.367 1.00 53.24 H new ATOM 0 HG2 GLN A 68 -1.089 9.402 -12.701 1.00 63.24 H new ATOM 0 HG3 GLN A 68 -0.206 9.842 -14.149 1.00 63.24 H new ATOM 0 HE21 GLN A 68 -2.313 9.744 -16.049 1.00 32.21 H new ATOM 0 HE22 GLN A 68 -3.478 10.995 -15.602 1.00 32.21 H new ATOM 982 N LEU A 69 -2.997 4.904 -13.545 1.00 55.43 N ATOM 983 CA LEU A 69 -3.043 3.455 -13.412 1.00 40.25 C ATOM 984 C LEU A 69 -4.106 2.868 -14.344 1.00 35.52 C ATOM 985 O LEU A 69 -4.899 3.613 -14.916 1.00 44.41 O ATOM 986 CB LEU A 69 -3.373 3.134 -11.951 1.00 22.20 C ATOM 987 CG LEU A 69 -2.252 2.428 -11.194 1.00 52.02 C ATOM 988 CD1 LEU A 69 -2.734 2.372 -9.753 1.00 21.43 C ATOM 989 CD2 LEU A 69 -1.943 1.019 -11.696 1.00 41.32 C ATOM 0 H LEU A 69 -3.926 5.297 -13.697 1.00 55.43 H new ATOM 0 HA LEU A 69 -2.084 3.016 -13.689 1.00 40.25 H new ATOM 0 HB2 LEU A 69 -3.617 4.062 -11.434 1.00 22.20 H new ATOM 0 HB3 LEU A 69 -4.265 2.509 -11.921 1.00 22.20 H new ATOM 0 HG LEU A 69 -1.318 2.974 -11.329 1.00 52.02 H new ATOM 0 HD11 LEU A 69 -1.983 1.877 -9.137 1.00 21.43 H new ATOM 0 HD12 LEU A 69 -2.896 3.385 -9.384 1.00 21.43 H new ATOM 0 HD13 LEU A 69 -3.669 1.814 -9.704 1.00 21.43 H new ATOM 0 HD21 LEU A 69 -1.135 0.591 -11.103 1.00 41.32 H new ATOM 0 HD22 LEU A 69 -2.832 0.396 -11.601 1.00 41.32 H new ATOM 0 HD23 LEU A 69 -1.641 1.064 -12.742 1.00 41.32 H new ATOM 1000 N ASP A 70 -4.183 1.539 -14.442 1.00 21.43 N ATOM 1001 CA ASP A 70 -5.313 0.833 -15.049 1.00 1.31 C ATOM 1002 C ASP A 70 -6.079 0.103 -13.953 1.00 41.13 C ATOM 1003 O ASP A 70 -5.561 -0.098 -12.849 1.00 2.40 O ATOM 1004 CB ASP A 70 -4.846 -0.126 -16.154 1.00 51.44 C ATOM 1005 CG ASP A 70 -4.863 0.594 -17.496 1.00 24.21 C ATOM 1006 OD1 ASP A 70 -5.971 0.901 -18.000 1.00 43.33 O ATOM 1007 OD2 ASP A 70 -3.763 0.903 -18.016 1.00 0.41 O ATOM 0 H ASP A 70 -3.453 0.915 -14.098 1.00 21.43 H new ATOM 0 HA ASP A 70 -5.976 1.552 -15.529 1.00 1.31 H new ATOM 0 HB2 ASP A 70 -3.841 -0.486 -15.936 1.00 51.44 H new ATOM 0 HB3 ASP A 70 -5.497 -1.000 -16.190 1.00 51.44 H new ATOM 1011 N ASN A 71 -7.335 -0.243 -14.224 1.00 60.21 N ATOM 1012 CA ASN A 71 -8.265 -0.760 -13.230 1.00 31.53 C ATOM 1013 C ASN A 71 -8.005 -2.245 -12.996 1.00 72.55 C ATOM 1014 O ASN A 71 -7.923 -3.008 -13.963 1.00 20.41 O ATOM 1015 CB ASN A 71 -9.695 -0.522 -13.720 1.00 14.00 C ATOM 1016 CG ASN A 71 -10.683 -0.624 -12.575 1.00 3.00 C ATOM 1017 OD1 ASN A 71 -10.835 0.330 -11.817 1.00 23.53 O ATOM 1018 ND2 ASN A 71 -11.342 -1.749 -12.402 1.00 72.45 N ATOM 0 H ASN A 71 -7.740 -0.170 -15.157 1.00 60.21 H new ATOM 0 HA ASN A 71 -8.125 -0.243 -12.281 1.00 31.53 H new ATOM 0 HB2 ASN A 71 -9.767 0.463 -14.181 1.00 14.00 H new ATOM 0 HB3 ASN A 71 -9.947 -1.252 -14.489 1.00 14.00 H new ATOM 0 HD21 ASN A 71 -11.996 -1.843 -11.625 1.00 72.45 H new ATOM 0 HD22 ASN A 71 -11.199 -2.528 -13.045 1.00 72.45 H new ATOM 1024 N ILE A 72 -7.884 -2.659 -11.734 1.00 55.14 N ATOM 1025 CA ILE A 72 -7.501 -4.010 -11.328 1.00 22.31 C ATOM 1026 C ILE A 72 -8.518 -4.486 -10.306 1.00 40.05 C ATOM 1027 O ILE A 72 -8.897 -3.742 -9.398 1.00 73.35 O ATOM 1028 CB ILE A 72 -6.062 -4.012 -10.751 1.00 15.44 C ATOM 1029 CG1 ILE A 72 -5.065 -3.806 -11.906 1.00 3.40 C ATOM 1030 CG2 ILE A 72 -5.727 -5.314 -9.986 1.00 32.33 C ATOM 1031 CD1 ILE A 72 -3.620 -3.606 -11.453 1.00 20.23 C ATOM 0 H ILE A 72 -8.056 -2.042 -10.940 1.00 55.14 H new ATOM 0 HA ILE A 72 -7.497 -4.688 -12.182 1.00 22.31 H new ATOM 0 HB ILE A 72 -5.988 -3.199 -10.029 1.00 15.44 H new ATOM 0 HG12 ILE A 72 -5.110 -4.670 -12.570 1.00 3.40 H new ATOM 0 HG13 ILE A 72 -5.375 -2.939 -12.489 1.00 3.40 H new ATOM 0 HG21 ILE A 72 -4.707 -5.260 -9.604 1.00 32.33 H new ATOM 0 HG22 ILE A 72 -6.420 -5.436 -9.154 1.00 32.33 H new ATOM 0 HG23 ILE A 72 -5.817 -6.166 -10.660 1.00 32.33 H new ATOM 0 HD11 ILE A 72 -2.981 -3.468 -12.325 1.00 20.23 H new ATOM 0 HD12 ILE A 72 -3.558 -2.725 -10.814 1.00 20.23 H new ATOM 0 HD13 ILE A 72 -3.289 -4.482 -10.896 1.00 20.23 H new ATOM 1042 N ASP A 73 -8.923 -5.745 -10.430 1.00 20.50 N ATOM 1043 CA ASP A 73 -9.727 -6.443 -9.455 1.00 35.14 C ATOM 1044 C ASP A 73 -8.808 -6.778 -8.295 1.00 12.44 C ATOM 1045 O ASP A 73 -8.024 -7.720 -8.378 1.00 74.14 O ATOM 1046 CB ASP A 73 -10.306 -7.711 -10.088 1.00 64.34 C ATOM 1047 CG ASP A 73 -11.446 -7.346 -11.025 1.00 24.24 C ATOM 1048 OD1 ASP A 73 -12.516 -6.970 -10.487 1.00 15.14 O ATOM 1049 OD2 ASP A 73 -11.219 -7.358 -12.256 1.00 3.24 O ATOM 0 H ASP A 73 -8.689 -6.319 -11.240 1.00 20.50 H new ATOM 0 HA ASP A 73 -10.565 -5.839 -9.108 1.00 35.14 H new ATOM 0 HB2 ASP A 73 -9.528 -8.242 -10.637 1.00 64.34 H new ATOM 0 HB3 ASP A 73 -10.664 -8.385 -9.310 1.00 64.34 H new ATOM 1053 N TYR A 74 -8.855 -5.998 -7.217 1.00 52.04 N ATOM 1054 CA TYR A 74 -8.089 -6.310 -6.015 1.00 34.03 C ATOM 1055 C TYR A 74 -8.735 -7.443 -5.203 1.00 22.42 C ATOM 1056 O TYR A 74 -8.132 -7.944 -4.254 1.00 4.21 O ATOM 1057 CB TYR A 74 -7.918 -5.053 -5.159 1.00 62.24 C ATOM 1058 CG TYR A 74 -7.261 -3.888 -5.877 1.00 22.34 C ATOM 1059 CD1 TYR A 74 -6.018 -4.044 -6.520 1.00 71.31 C ATOM 1060 CD2 TYR A 74 -7.917 -2.647 -5.918 1.00 23.33 C ATOM 1061 CE1 TYR A 74 -5.461 -2.974 -7.243 1.00 54.11 C ATOM 1062 CE2 TYR A 74 -7.351 -1.557 -6.598 1.00 24.43 C ATOM 1063 CZ TYR A 74 -6.135 -1.733 -7.302 1.00 33.32 C ATOM 1064 OH TYR A 74 -5.603 -0.720 -8.038 1.00 75.42 O ATOM 0 H TYR A 74 -9.414 -5.148 -7.152 1.00 52.04 H new ATOM 0 HA TYR A 74 -7.105 -6.661 -6.327 1.00 34.03 H new ATOM 0 HB2 TYR A 74 -8.898 -4.737 -4.800 1.00 62.24 H new ATOM 0 HB3 TYR A 74 -7.323 -5.305 -4.281 1.00 62.24 H new ATOM 0 HD1 TYR A 74 -5.492 -4.985 -6.458 1.00 71.31 H new ATOM 0 HD2 TYR A 74 -8.868 -2.530 -5.420 1.00 23.33 H new ATOM 0 HE1 TYR A 74 -4.518 -3.101 -7.753 1.00 54.11 H new ATOM 0 HE2 TYR A 74 -7.838 -0.593 -6.584 1.00 24.43 H new ATOM 0 HH TYR A 74 -6.184 0.067 -7.979 1.00 75.42 H new ATOM 1073 N ASN A 75 -9.951 -7.875 -5.563 1.00 12.10 N ATOM 1074 CA ASN A 75 -10.776 -8.738 -4.718 1.00 44.55 C ATOM 1075 C ASN A 75 -10.162 -10.132 -4.572 1.00 53.52 C ATOM 1076 O ASN A 75 -10.425 -10.827 -3.596 1.00 64.32 O ATOM 1077 CB ASN A 75 -12.195 -8.851 -5.309 1.00 43.35 C ATOM 1078 CG ASN A 75 -13.291 -8.965 -4.257 1.00 60.42 C ATOM 1079 OD1 ASN A 75 -14.377 -8.427 -4.444 1.00 41.32 O ATOM 1080 ND2 ASN A 75 -13.043 -9.597 -3.126 1.00 74.04 N ATOM 0 H ASN A 75 -10.388 -7.633 -6.452 1.00 12.10 H new ATOM 0 HA ASN A 75 -10.827 -8.287 -3.727 1.00 44.55 H new ATOM 0 HB2 ASN A 75 -12.390 -7.977 -5.931 1.00 43.35 H new ATOM 0 HB3 ASN A 75 -12.238 -9.723 -5.962 1.00 43.35 H new ATOM 0 HD21 ASN A 75 -13.757 -9.641 -2.399 1.00 74.04 H new ATOM 0 HD22 ASN A 75 -12.137 -10.042 -2.978 1.00 74.04 H new ATOM 1086 N ASN A 76 -9.345 -10.543 -5.542 1.00 71.25 N ATOM 1087 CA ASN A 76 -8.655 -11.826 -5.623 1.00 33.43 C ATOM 1088 C ASN A 76 -7.258 -11.795 -4.991 1.00 52.43 C ATOM 1089 O ASN A 76 -6.508 -12.755 -5.137 1.00 72.03 O ATOM 1090 CB ASN A 76 -8.635 -12.318 -7.082 1.00 41.45 C ATOM 1091 CG ASN A 76 -8.000 -11.352 -8.068 1.00 75.35 C ATOM 1092 OD1 ASN A 76 -6.847 -11.473 -8.464 1.00 61.35 O ATOM 1093 ND2 ASN A 76 -8.756 -10.366 -8.518 1.00 53.41 N ATOM 0 H ASN A 76 -9.135 -9.948 -6.343 1.00 71.25 H new ATOM 0 HA ASN A 76 -9.215 -12.546 -5.027 1.00 33.43 H new ATOM 0 HB2 ASN A 76 -8.097 -13.265 -7.125 1.00 41.45 H new ATOM 0 HB3 ASN A 76 -9.659 -12.518 -7.398 1.00 41.45 H new ATOM 0 HD21 ASN A 76 -8.380 -9.704 -9.196 1.00 53.41 H new ATOM 0 HD22 ASN A 76 -9.716 -10.267 -8.187 1.00 53.41 H new ATOM 1099 N TYR A 77 -6.906 -10.731 -4.264 1.00 34.13 N ATOM 1100 CA TYR A 77 -5.661 -10.636 -3.516 1.00 75.01 C ATOM 1101 C TYR A 77 -5.997 -10.724 -2.039 1.00 31.20 C ATOM 1102 O TYR A 77 -6.774 -9.919 -1.529 1.00 51.43 O ATOM 1103 CB TYR A 77 -4.878 -9.397 -3.937 1.00 33.44 C ATOM 1104 CG TYR A 77 -4.436 -9.486 -5.387 1.00 73.13 C ATOM 1105 CD1 TYR A 77 -3.244 -10.153 -5.732 1.00 34.14 C ATOM 1106 CD2 TYR A 77 -5.256 -8.965 -6.403 1.00 71.35 C ATOM 1107 CE1 TYR A 77 -2.846 -10.248 -7.078 1.00 11.31 C ATOM 1108 CE2 TYR A 77 -4.874 -9.057 -7.753 1.00 32.44 C ATOM 1109 CZ TYR A 77 -3.660 -9.696 -8.094 1.00 15.43 C ATOM 1110 OH TYR A 77 -3.264 -9.776 -9.394 1.00 23.23 O ATOM 0 H TYR A 77 -7.492 -9.900 -4.181 1.00 34.13 H new ATOM 0 HA TYR A 77 -4.985 -11.463 -3.736 1.00 75.01 H new ATOM 0 HB2 TYR A 77 -5.496 -8.510 -3.797 1.00 33.44 H new ATOM 0 HB3 TYR A 77 -4.004 -9.282 -3.295 1.00 33.44 H new ATOM 0 HD1 TYR A 77 -2.632 -10.594 -4.959 1.00 34.14 H new ATOM 0 HD2 TYR A 77 -6.190 -8.489 -6.144 1.00 71.35 H new ATOM 0 HE1 TYR A 77 -1.920 -10.742 -7.335 1.00 11.31 H new ATOM 0 HE2 TYR A 77 -5.505 -8.642 -8.525 1.00 32.44 H new ATOM 0 HH TYR A 77 -3.935 -9.350 -9.967 1.00 23.23 H new ATOM 1119 N ASP A 78 -5.467 -11.759 -1.376 1.00 0.42 N ATOM 1120 CA ASP A 78 -5.659 -11.892 0.079 1.00 51.34 C ATOM 1121 C ASP A 78 -4.719 -10.969 0.848 1.00 55.45 C ATOM 1122 O ASP A 78 -5.032 -10.600 1.975 1.00 12.24 O ATOM 1123 CB ASP A 78 -5.492 -13.336 0.586 1.00 42.35 C ATOM 1124 CG ASP A 78 -6.833 -13.876 1.080 1.00 34.41 C ATOM 1125 OD1 ASP A 78 -7.694 -14.183 0.226 1.00 3.32 O ATOM 1126 OD2 ASP A 78 -7.103 -13.938 2.303 1.00 55.32 O ATOM 0 H ASP A 78 -4.915 -12.501 -1.807 1.00 0.42 H new ATOM 0 HA ASP A 78 -6.692 -11.599 0.265 1.00 51.34 H new ATOM 0 HB2 ASP A 78 -5.109 -13.969 -0.214 1.00 42.35 H new ATOM 0 HB3 ASP A 78 -4.760 -13.364 1.393 1.00 42.35 H new ATOM 1130 N LEU A 79 -3.594 -10.579 0.245 1.00 11.31 N ATOM 1131 CA LEU A 79 -2.602 -9.694 0.831 1.00 43.13 C ATOM 1132 C LEU A 79 -2.256 -8.637 -0.206 1.00 40.43 C ATOM 1133 O LEU A 79 -2.068 -8.960 -1.384 1.00 23.31 O ATOM 1134 CB LEU A 79 -1.375 -10.517 1.248 1.00 11.52 C ATOM 1135 CG LEU A 79 -0.388 -9.874 2.242 1.00 13.42 C ATOM 1136 CD1 LEU A 79 0.402 -8.657 1.786 1.00 43.41 C ATOM 1137 CD2 LEU A 79 -1.066 -9.516 3.556 1.00 63.12 C ATOM 0 H LEU A 79 -3.346 -10.884 -0.696 1.00 11.31 H new ATOM 0 HA LEU A 79 -2.980 -9.199 1.726 1.00 43.13 H new ATOM 0 HB2 LEU A 79 -1.729 -11.451 1.684 1.00 11.52 H new ATOM 0 HB3 LEU A 79 -0.822 -10.776 0.345 1.00 11.52 H new ATOM 0 HG LEU A 79 0.345 -10.674 2.347 1.00 13.42 H new ATOM 0 HD11 LEU A 79 1.051 -8.321 2.594 1.00 43.41 H new ATOM 0 HD12 LEU A 79 1.008 -8.921 0.919 1.00 43.41 H new ATOM 0 HD13 LEU A 79 -0.287 -7.856 1.517 1.00 43.41 H new ATOM 0 HD21 LEU A 79 -0.338 -9.065 4.230 1.00 63.12 H new ATOM 0 HD22 LEU A 79 -1.873 -8.808 3.368 1.00 63.12 H new ATOM 0 HD23 LEU A 79 -1.474 -10.418 4.013 1.00 63.12 H new ATOM 1148 N ILE A 80 -2.186 -7.383 0.220 1.00 12.42 N ATOM 1149 CA ILE A 80 -1.803 -6.254 -0.614 1.00 64.21 C ATOM 1150 C ILE A 80 -0.877 -5.391 0.227 1.00 15.33 C ATOM 1151 O ILE A 80 -1.289 -4.833 1.243 1.00 14.30 O ATOM 1152 CB ILE A 80 -3.015 -5.462 -1.156 1.00 40.41 C ATOM 1153 CG1 ILE A 80 -3.996 -6.388 -1.908 1.00 53.34 C ATOM 1154 CG2 ILE A 80 -2.513 -4.337 -2.087 1.00 14.23 C ATOM 1155 CD1 ILE A 80 -5.145 -5.660 -2.608 1.00 74.03 C ATOM 0 H ILE A 80 -2.400 -7.117 1.181 1.00 12.42 H new ATOM 0 HA ILE A 80 -1.296 -6.606 -1.512 1.00 64.21 H new ATOM 0 HB ILE A 80 -3.554 -5.026 -0.315 1.00 40.41 H new ATOM 0 HG12 ILE A 80 -3.439 -6.960 -2.650 1.00 53.34 H new ATOM 0 HG13 ILE A 80 -4.414 -7.105 -1.201 1.00 53.34 H new ATOM 0 HG21 ILE A 80 -3.365 -3.776 -2.472 1.00 14.23 H new ATOM 0 HG22 ILE A 80 -1.859 -3.667 -1.528 1.00 14.23 H new ATOM 0 HG23 ILE A 80 -1.960 -4.773 -2.919 1.00 14.23 H new ATOM 0 HD11 ILE A 80 -5.784 -6.387 -3.110 1.00 74.03 H new ATOM 0 HD12 ILE A 80 -5.730 -5.110 -1.871 1.00 74.03 H new ATOM 0 HD13 ILE A 80 -4.741 -4.964 -3.343 1.00 74.03 H new ATOM 1166 N LEU A 81 0.389 -5.307 -0.160 1.00 2.34 N ATOM 1167 CA LEU A 81 1.315 -4.370 0.458 1.00 62.04 C ATOM 1168 C LEU A 81 1.282 -3.044 -0.289 1.00 32.22 C ATOM 1169 O LEU A 81 1.104 -3.022 -1.509 1.00 0.10 O ATOM 1170 CB LEU A 81 2.732 -4.951 0.400 1.00 12.23 C ATOM 1171 CG LEU A 81 2.917 -6.075 1.427 1.00 51.21 C ATOM 1172 CD1 LEU A 81 4.095 -6.964 1.039 1.00 73.20 C ATOM 1173 CD2 LEU A 81 3.075 -5.515 2.845 1.00 64.00 C ATOM 0 H LEU A 81 0.798 -5.878 -0.900 1.00 2.34 H new ATOM 0 HA LEU A 81 1.025 -4.205 1.496 1.00 62.04 H new ATOM 0 HB2 LEU A 81 2.929 -5.334 -0.601 1.00 12.23 H new ATOM 0 HB3 LEU A 81 3.459 -4.161 0.588 1.00 12.23 H new ATOM 0 HG LEU A 81 2.017 -6.690 1.425 1.00 51.21 H new ATOM 0 HD11 LEU A 81 4.212 -7.756 1.778 1.00 73.20 H new ATOM 0 HD12 LEU A 81 3.910 -7.406 0.060 1.00 73.20 H new ATOM 0 HD13 LEU A 81 5.005 -6.366 1.001 1.00 73.20 H new ATOM 0 HD21 LEU A 81 3.204 -6.337 3.549 1.00 64.00 H new ATOM 0 HD22 LEU A 81 3.948 -4.864 2.884 1.00 64.00 H new ATOM 0 HD23 LEU A 81 2.185 -4.945 3.112 1.00 64.00 H new ATOM 1184 N ILE A 82 1.534 -1.943 0.419 1.00 51.35 N ATOM 1185 CA ILE A 82 1.634 -0.609 -0.143 1.00 24.04 C ATOM 1186 C ILE A 82 2.901 0.049 0.408 1.00 0.21 C ATOM 1187 O ILE A 82 3.174 -0.038 1.602 1.00 3.45 O ATOM 1188 CB ILE A 82 0.330 0.183 0.124 1.00 24.42 C ATOM 1189 CG1 ILE A 82 -0.902 -0.428 -0.592 1.00 3.22 C ATOM 1190 CG2 ILE A 82 0.459 1.647 -0.321 1.00 74.13 C ATOM 1191 CD1 ILE A 82 -1.747 -1.335 0.308 1.00 73.01 C ATOM 0 H ILE A 82 1.677 -1.962 1.429 1.00 51.35 H new ATOM 0 HA ILE A 82 1.732 -0.635 -1.228 1.00 24.04 H new ATOM 0 HB ILE A 82 0.177 0.127 1.202 1.00 24.42 H new ATOM 0 HG12 ILE A 82 -1.529 0.379 -0.971 1.00 3.22 H new ATOM 0 HG13 ILE A 82 -0.563 -1.001 -1.455 1.00 3.22 H new ATOM 0 HG21 ILE A 82 -0.474 2.172 -0.119 1.00 74.13 H new ATOM 0 HG22 ILE A 82 1.270 2.124 0.228 1.00 74.13 H new ATOM 0 HG23 ILE A 82 0.673 1.685 -1.389 1.00 74.13 H new ATOM 0 HD11 ILE A 82 -2.591 -1.727 -0.260 1.00 73.01 H new ATOM 0 HD12 ILE A 82 -1.136 -2.163 0.667 1.00 73.01 H new ATOM 0 HD13 ILE A 82 -2.116 -0.762 1.158 1.00 73.01 H new ATOM 1202 N GLY A 83 3.662 0.705 -0.474 1.00 20.05 N ATOM 1203 CA GLY A 83 4.873 1.471 -0.186 1.00 14.51 C ATOM 1204 C GLY A 83 4.650 2.934 -0.601 1.00 74.02 C ATOM 1205 O GLY A 83 4.154 3.167 -1.705 1.00 43.41 O ATOM 0 H GLY A 83 3.433 0.714 -1.468 1.00 20.05 H new ATOM 0 HA2 GLY A 83 5.111 1.413 0.876 1.00 14.51 H new ATOM 0 HA3 GLY A 83 5.721 1.051 -0.727 1.00 14.51 H new ATOM 1209 N SER A 84 5.017 3.925 0.216 1.00 44.32 N ATOM 1210 CA SER A 84 4.717 5.342 -0.015 1.00 72.34 C ATOM 1211 C SER A 84 5.858 6.252 0.490 1.00 2.42 C ATOM 1212 O SER A 84 6.472 5.935 1.503 1.00 31.44 O ATOM 1213 CB SER A 84 3.398 5.641 0.708 1.00 60.12 C ATOM 1214 OG SER A 84 3.020 7.005 0.644 1.00 73.12 O ATOM 0 H SER A 84 5.542 3.762 1.075 1.00 44.32 H new ATOM 0 HA SER A 84 4.624 5.545 -1.082 1.00 72.34 H new ATOM 0 HB2 SER A 84 2.607 5.031 0.272 1.00 60.12 H new ATOM 0 HB3 SER A 84 3.490 5.345 1.753 1.00 60.12 H new ATOM 0 HG SER A 84 2.821 7.332 1.546 1.00 73.12 H new ATOM 1219 N PRO A 85 6.116 7.417 -0.140 1.00 74.41 N ATOM 1220 CA PRO A 85 7.053 8.414 0.381 1.00 15.55 C ATOM 1221 C PRO A 85 6.497 9.171 1.602 1.00 32.03 C ATOM 1222 O PRO A 85 5.279 9.193 1.813 1.00 12.45 O ATOM 1223 CB PRO A 85 7.303 9.374 -0.784 1.00 44.14 C ATOM 1224 CG PRO A 85 6.190 9.138 -1.809 1.00 72.34 C ATOM 1225 CD PRO A 85 5.499 7.850 -1.384 1.00 33.22 C ATOM 0 HA PRO A 85 7.967 7.936 0.735 1.00 15.55 H new ATOM 0 HB2 PRO A 85 7.296 10.408 -0.439 1.00 44.14 H new ATOM 0 HB3 PRO A 85 8.281 9.193 -1.229 1.00 44.14 H new ATOM 0 HG2 PRO A 85 5.488 9.972 -1.823 1.00 72.34 H new ATOM 0 HG3 PRO A 85 6.598 9.049 -2.816 1.00 72.34 H new ATOM 0 HD2 PRO A 85 4.430 8.015 -1.246 1.00 33.22 H new ATOM 0 HD3 PRO A 85 5.606 7.085 -2.153 1.00 33.22 H new ATOM 1230 N VAL A 86 7.365 9.891 2.324 1.00 61.01 N ATOM 1231 CA VAL A 86 7.060 10.751 3.472 1.00 0.11 C ATOM 1232 C VAL A 86 7.663 12.144 3.261 1.00 32.15 C ATOM 1233 O VAL A 86 8.880 12.327 3.338 1.00 33.43 O ATOM 1234 CB VAL A 86 7.553 10.089 4.777 1.00 24.43 C ATOM 1235 CG1 VAL A 86 7.621 11.054 5.971 1.00 60.22 C ATOM 1236 CG2 VAL A 86 6.627 8.928 5.140 1.00 13.35 C ATOM 0 H VAL A 86 8.362 9.887 2.107 1.00 61.01 H new ATOM 0 HA VAL A 86 5.981 10.875 3.560 1.00 0.11 H new ATOM 0 HB VAL A 86 8.569 9.746 4.582 1.00 24.43 H new ATOM 0 HG11 VAL A 86 7.975 10.519 6.852 1.00 60.22 H new ATOM 0 HG12 VAL A 86 8.307 11.869 5.741 1.00 60.22 H new ATOM 0 HG13 VAL A 86 6.629 11.460 6.168 1.00 60.22 H new ATOM 0 HG21 VAL A 86 6.974 8.460 6.061 1.00 13.35 H new ATOM 0 HG22 VAL A 86 5.613 9.302 5.283 1.00 13.35 H new ATOM 0 HG23 VAL A 86 6.632 8.193 4.335 1.00 13.35 H new ATOM 1246 N TRP A 87 6.799 13.134 3.039 1.00 52.31 N ATOM 1247 CA TRP A 87 7.155 14.545 3.035 1.00 24.42 C ATOM 1248 C TRP A 87 7.445 15.038 4.467 1.00 60.22 C ATOM 1249 O TRP A 87 7.496 14.241 5.412 1.00 42.51 O ATOM 1250 CB TRP A 87 6.032 15.325 2.324 1.00 12.34 C ATOM 1251 CG TRP A 87 6.390 15.819 0.950 1.00 32.32 C ATOM 1252 CD1 TRP A 87 6.828 17.054 0.619 1.00 32.04 C ATOM 1253 CD2 TRP A 87 6.265 15.096 -0.317 1.00 52.52 C ATOM 1254 NE1 TRP A 87 6.999 17.132 -0.751 1.00 23.05 N ATOM 1255 CE2 TRP A 87 6.664 15.960 -1.376 1.00 14.25 C ATOM 1256 CE3 TRP A 87 5.783 13.824 -0.689 1.00 71.22 C ATOM 1257 CZ2 TRP A 87 6.619 15.586 -2.724 1.00 33.14 C ATOM 1258 CZ3 TRP A 87 5.706 13.438 -2.043 1.00 40.40 C ATOM 1259 CH2 TRP A 87 6.114 14.321 -3.059 1.00 33.01 C ATOM 0 H TRP A 87 5.810 12.969 2.853 1.00 52.31 H new ATOM 0 HA TRP A 87 8.079 14.714 2.482 1.00 24.42 H new ATOM 0 HB2 TRP A 87 5.153 14.684 2.249 1.00 12.34 H new ATOM 0 HB3 TRP A 87 5.752 16.178 2.942 1.00 12.34 H new ATOM 0 HD1 TRP A 87 7.016 17.856 1.317 1.00 32.04 H new ATOM 0 HE1 TRP A 87 7.335 17.963 -1.238 1.00 23.05 H new ATOM 0 HE3 TRP A 87 5.467 13.132 0.078 1.00 71.22 H new ATOM 0 HZ2 TRP A 87 6.967 16.260 -3.493 1.00 33.14 H new ATOM 0 HZ3 TRP A 87 5.332 12.459 -2.301 1.00 40.40 H new ATOM 0 HH2 TRP A 87 6.039 14.026 -4.095 1.00 33.01 H new ATOM 1269 N SER A 88 7.695 16.340 4.652 1.00 42.12 N ATOM 1270 CA SER A 88 8.010 16.937 5.948 1.00 62.41 C ATOM 1271 C SER A 88 6.742 16.975 6.827 1.00 34.11 C ATOM 1272 O SER A 88 6.057 17.994 6.934 1.00 63.02 O ATOM 1273 CB SER A 88 8.687 18.304 5.723 1.00 1.35 C ATOM 1274 OG SER A 88 9.662 18.598 6.707 1.00 62.13 O ATOM 0 H SER A 88 7.683 17.017 3.889 1.00 42.12 H new ATOM 0 HA SER A 88 8.728 16.334 6.504 1.00 62.41 H new ATOM 0 HB2 SER A 88 9.155 18.316 4.739 1.00 1.35 H new ATOM 0 HB3 SER A 88 7.928 19.086 5.724 1.00 1.35 H new ATOM 0 HG SER A 88 10.063 19.473 6.520 1.00 62.13 H new ATOM 1279 N GLY A 89 6.418 15.830 7.428 1.00 24.31 N ATOM 1280 CA GLY A 89 5.328 15.608 8.366 1.00 35.21 C ATOM 1281 C GLY A 89 4.404 14.508 7.885 1.00 53.21 C ATOM 1282 O GLY A 89 4.264 13.489 8.569 1.00 54.10 O ATOM 0 H GLY A 89 6.950 14.977 7.257 1.00 24.31 H new ATOM 0 HA2 GLY A 89 5.734 15.344 9.343 1.00 35.21 H new ATOM 0 HA3 GLY A 89 4.762 16.531 8.495 1.00 35.21 H new ATOM 1286 N TYR A 90 3.826 14.652 6.696 1.00 11.35 N ATOM 1287 CA TYR A 90 2.786 13.760 6.186 1.00 42.54 C ATOM 1288 C TYR A 90 3.115 13.377 4.751 1.00 32.12 C ATOM 1289 O TYR A 90 3.949 14.037 4.127 1.00 52.22 O ATOM 1290 CB TYR A 90 1.385 14.380 6.353 1.00 4.22 C ATOM 1291 CG TYR A 90 1.339 15.893 6.428 1.00 72.31 C ATOM 1292 CD1 TYR A 90 1.617 16.685 5.302 1.00 41.34 C ATOM 1293 CD2 TYR A 90 1.104 16.493 7.680 1.00 53.43 C ATOM 1294 CE1 TYR A 90 1.694 18.085 5.430 1.00 13.53 C ATOM 1295 CE2 TYR A 90 1.181 17.891 7.816 1.00 54.24 C ATOM 1296 CZ TYR A 90 1.492 18.689 6.692 1.00 42.20 C ATOM 1297 OH TYR A 90 1.686 20.028 6.833 1.00 22.32 O ATOM 0 H TYR A 90 4.070 15.402 6.049 1.00 11.35 H new ATOM 0 HA TYR A 90 2.764 12.842 6.773 1.00 42.54 H new ATOM 0 HB2 TYR A 90 0.763 14.057 5.518 1.00 4.22 H new ATOM 0 HB3 TYR A 90 0.935 13.976 7.260 1.00 4.22 H new ATOM 0 HD1 TYR A 90 1.772 16.221 4.339 1.00 41.34 H new ATOM 0 HD2 TYR A 90 0.865 15.880 8.536 1.00 53.43 H new ATOM 0 HE1 TYR A 90 1.907 18.696 4.566 1.00 13.53 H new ATOM 0 HE2 TYR A 90 1.003 18.353 8.776 1.00 54.24 H new ATOM 0 HH TYR A 90 1.505 20.289 7.760 1.00 22.32 H new ATOM 1306 N PRO A 91 2.495 12.319 4.209 1.00 44.30 N ATOM 1307 CA PRO A 91 2.604 11.979 2.799 1.00 31.01 C ATOM 1308 C PRO A 91 1.964 13.039 1.892 1.00 33.21 C ATOM 1309 O PRO A 91 1.482 14.077 2.348 1.00 63.31 O ATOM 1310 CB PRO A 91 1.984 10.583 2.690 1.00 64.40 C ATOM 1311 CG PRO A 91 1.003 10.511 3.855 1.00 53.31 C ATOM 1312 CD PRO A 91 1.697 11.332 4.928 1.00 72.03 C ATOM 0 HA PRO A 91 3.635 11.964 2.446 1.00 31.01 H new ATOM 0 HB2 PRO A 91 1.477 10.447 1.735 1.00 64.40 H new ATOM 0 HB3 PRO A 91 2.743 9.804 2.761 1.00 64.40 H new ATOM 0 HG2 PRO A 91 0.031 10.928 3.592 1.00 53.31 H new ATOM 0 HG3 PRO A 91 0.833 9.484 4.178 1.00 53.31 H new ATOM 0 HD2 PRO A 91 0.972 11.815 5.583 1.00 72.03 H new ATOM 0 HD3 PRO A 91 2.326 10.703 5.558 1.00 72.03 H new ATOM 1317 N ALA A 92 1.978 12.795 0.585 1.00 41.43 N ATOM 1318 CA ALA A 92 1.396 13.654 -0.441 1.00 74.20 C ATOM 1319 C ALA A 92 -0.064 13.280 -0.753 1.00 55.24 C ATOM 1320 O ALA A 92 -0.522 13.448 -1.879 1.00 2.41 O ATOM 1321 CB ALA A 92 2.265 13.581 -1.692 1.00 52.32 C ATOM 0 H ALA A 92 2.413 11.959 0.196 1.00 41.43 H new ATOM 0 HA ALA A 92 1.373 14.678 -0.068 1.00 74.20 H new ATOM 0 HB1 ALA A 92 1.841 14.219 -2.467 1.00 52.32 H new ATOM 0 HB2 ALA A 92 3.273 13.920 -1.455 1.00 52.32 H new ATOM 0 HB3 ALA A 92 2.303 12.552 -2.049 1.00 52.32 H new ATOM 1327 N THR A 93 -0.738 12.631 0.196 1.00 11.20 N ATOM 1328 CA THR A 93 -1.974 11.859 0.010 1.00 15.53 C ATOM 1329 C THR A 93 -1.942 10.937 -1.246 1.00 53.35 C ATOM 1330 O THR A 93 -2.900 10.904 -2.014 1.00 3.30 O ATOM 1331 CB THR A 93 -3.217 12.793 0.055 1.00 72.04 C ATOM 1332 OG1 THR A 93 -3.357 13.645 -1.064 1.00 22.12 O ATOM 1333 CG2 THR A 93 -3.274 13.679 1.300 1.00 74.02 C ATOM 0 H THR A 93 -0.423 12.627 1.166 1.00 11.20 H new ATOM 0 HA THR A 93 -2.055 11.169 0.850 1.00 15.53 H new ATOM 0 HB THR A 93 -4.036 12.074 0.063 1.00 72.04 H new ATOM 0 HG1 THR A 93 -2.797 14.440 -0.942 1.00 22.12 H new ATOM 0 HG21 THR A 93 -4.167 14.303 1.262 1.00 74.02 H new ATOM 0 HG22 THR A 93 -3.306 13.052 2.191 1.00 74.02 H new ATOM 0 HG23 THR A 93 -2.389 14.314 1.335 1.00 74.02 H new ATOM 1341 N PRO A 94 -0.930 10.061 -1.443 1.00 63.11 N ATOM 1342 CA PRO A 94 -0.889 9.208 -2.629 1.00 13.33 C ATOM 1343 C PRO A 94 -1.966 8.120 -2.537 1.00 33.21 C ATOM 1344 O PRO A 94 -2.783 7.957 -3.445 1.00 33.11 O ATOM 1345 CB PRO A 94 0.540 8.650 -2.697 1.00 60.12 C ATOM 1346 CG PRO A 94 1.020 8.688 -1.249 1.00 42.10 C ATOM 1347 CD PRO A 94 0.273 9.877 -0.651 1.00 13.25 C ATOM 0 HA PRO A 94 -1.111 9.751 -3.548 1.00 13.33 H new ATOM 0 HB2 PRO A 94 0.554 7.636 -3.096 1.00 60.12 H new ATOM 0 HB3 PRO A 94 1.175 9.256 -3.344 1.00 60.12 H new ATOM 0 HG2 PRO A 94 0.784 7.762 -0.725 1.00 42.10 H new ATOM 0 HG3 PRO A 94 2.100 8.822 -1.189 1.00 42.10 H new ATOM 0 HD2 PRO A 94 0.023 9.690 0.393 1.00 13.25 H new ATOM 0 HD3 PRO A 94 0.892 10.774 -0.675 1.00 13.25 H new ATOM 1352 N ILE A 95 -2.004 7.388 -1.422 1.00 34.12 N ATOM 1353 CA ILE A 95 -2.849 6.205 -1.294 1.00 13.32 C ATOM 1354 C ILE A 95 -4.340 6.614 -1.192 1.00 43.11 C ATOM 1355 O ILE A 95 -5.216 5.791 -1.455 1.00 11.31 O ATOM 1356 CB ILE A 95 -2.341 5.310 -0.126 1.00 62.25 C ATOM 1357 CG1 ILE A 95 -0.797 5.165 -0.026 1.00 53.24 C ATOM 1358 CG2 ILE A 95 -2.964 3.903 -0.191 1.00 22.31 C ATOM 1359 CD1 ILE A 95 -0.052 4.793 -1.322 1.00 11.51 C ATOM 0 H ILE A 95 -1.453 7.598 -0.590 1.00 34.12 H new ATOM 0 HA ILE A 95 -2.779 5.590 -2.191 1.00 13.32 H new ATOM 0 HB ILE A 95 -2.664 5.841 0.769 1.00 62.25 H new ATOM 0 HG12 ILE A 95 -0.390 6.107 0.342 1.00 53.24 H new ATOM 0 HG13 ILE A 95 -0.574 4.406 0.724 1.00 53.24 H new ATOM 0 HG21 ILE A 95 -2.590 3.301 0.637 1.00 22.31 H new ATOM 0 HG22 ILE A 95 -4.049 3.982 -0.122 1.00 22.31 H new ATOM 0 HG23 ILE A 95 -2.694 3.429 -1.135 1.00 22.31 H new ATOM 0 HD11 ILE A 95 1.017 4.723 -1.120 1.00 11.51 H new ATOM 0 HD12 ILE A 95 -0.416 3.833 -1.688 1.00 11.51 H new ATOM 0 HD13 ILE A 95 -0.229 5.560 -2.076 1.00 11.51 H new ATOM 1370 N LYS A 96 -4.644 7.892 -0.907 1.00 4.41 N ATOM 1371 CA LYS A 96 -5.984 8.464 -0.750 1.00 75.12 C ATOM 1372 C LYS A 96 -6.878 8.058 -1.919 1.00 72.02 C ATOM 1373 O LYS A 96 -7.875 7.370 -1.743 1.00 1.43 O ATOM 1374 CB LYS A 96 -5.843 9.989 -0.589 1.00 75.35 C ATOM 1375 CG LYS A 96 -7.147 10.788 -0.486 1.00 4.34 C ATOM 1376 CD LYS A 96 -8.067 10.373 0.676 1.00 52.41 C ATOM 1377 CE LYS A 96 -9.006 11.519 1.090 1.00 73.02 C ATOM 1378 NZ LYS A 96 -10.030 11.848 0.078 1.00 40.43 N ATOM 0 H LYS A 96 -3.914 8.592 -0.773 1.00 4.41 H new ATOM 0 HA LYS A 96 -6.473 8.076 0.143 1.00 75.12 H new ATOM 0 HB2 LYS A 96 -5.251 10.185 0.305 1.00 75.35 H new ATOM 0 HB3 LYS A 96 -5.275 10.371 -1.437 1.00 75.35 H new ATOM 0 HG2 LYS A 96 -6.902 11.845 -0.378 1.00 4.34 H new ATOM 0 HG3 LYS A 96 -7.696 10.683 -1.422 1.00 4.34 H new ATOM 0 HD2 LYS A 96 -8.658 9.506 0.381 1.00 52.41 H new ATOM 0 HD3 LYS A 96 -7.462 10.071 1.531 1.00 52.41 H new ATOM 0 HE2 LYS A 96 -9.503 11.250 2.022 1.00 73.02 H new ATOM 0 HE3 LYS A 96 -8.410 12.409 1.292 1.00 73.02 H new ATOM 0 HZ1 LYS A 96 -10.770 12.436 0.512 1.00 40.43 H new ATOM 0 HZ2 LYS A 96 -9.588 12.370 -0.706 1.00 40.43 H new ATOM 0 HZ3 LYS A 96 -10.453 10.970 -0.286 1.00 40.43 H new ATOM 1388 N THR A 97 -6.500 8.447 -3.121 1.00 64.15 N ATOM 1389 CA THR A 97 -7.316 8.330 -4.316 1.00 75.05 C ATOM 1390 C THR A 97 -7.532 6.858 -4.694 1.00 21.33 C ATOM 1391 O THR A 97 -8.619 6.479 -5.129 1.00 11.13 O ATOM 1392 CB THR A 97 -6.586 9.119 -5.418 1.00 11.30 C ATOM 1393 OG1 THR A 97 -5.930 10.238 -4.844 1.00 43.42 O ATOM 1394 CG2 THR A 97 -7.520 9.644 -6.507 1.00 3.13 C ATOM 0 H THR A 97 -5.588 8.867 -3.299 1.00 64.15 H new ATOM 0 HA THR A 97 -8.315 8.738 -4.161 1.00 75.05 H new ATOM 0 HB THR A 97 -5.885 8.422 -5.877 1.00 11.30 H new ATOM 0 HG1 THR A 97 -5.853 10.950 -5.512 1.00 43.42 H new ATOM 0 HG21 THR A 97 -6.940 10.190 -7.251 1.00 3.13 H new ATOM 0 HG22 THR A 97 -8.028 8.807 -6.986 1.00 3.13 H new ATOM 0 HG23 THR A 97 -8.259 10.310 -6.062 1.00 3.13 H new ATOM 1402 N LEU A 98 -6.509 6.015 -4.516 1.00 0.51 N ATOM 1403 CA LEU A 98 -6.580 4.577 -4.767 1.00 62.32 C ATOM 1404 C LEU A 98 -7.558 3.918 -3.800 1.00 40.51 C ATOM 1405 O LEU A 98 -8.342 3.070 -4.220 1.00 55.41 O ATOM 1406 CB LEU A 98 -5.159 3.997 -4.608 1.00 2.54 C ATOM 1407 CG LEU A 98 -5.068 2.459 -4.619 1.00 14.41 C ATOM 1408 CD1 LEU A 98 -5.511 1.863 -5.955 1.00 11.12 C ATOM 1409 CD2 LEU A 98 -3.624 2.030 -4.335 1.00 75.23 C ATOM 0 H LEU A 98 -5.593 6.322 -4.187 1.00 0.51 H new ATOM 0 HA LEU A 98 -6.944 4.382 -5.776 1.00 62.32 H new ATOM 0 HB2 LEU A 98 -4.534 4.387 -5.411 1.00 2.54 H new ATOM 0 HB3 LEU A 98 -4.739 4.362 -3.671 1.00 2.54 H new ATOM 0 HG LEU A 98 -5.740 2.087 -3.846 1.00 14.41 H new ATOM 0 HD11 LEU A 98 -5.429 0.777 -5.914 1.00 11.12 H new ATOM 0 HD12 LEU A 98 -6.546 2.142 -6.152 1.00 11.12 H new ATOM 0 HD13 LEU A 98 -4.874 2.245 -6.753 1.00 11.12 H new ATOM 0 HD21 LEU A 98 -3.559 0.942 -4.343 1.00 75.23 H new ATOM 0 HD22 LEU A 98 -2.966 2.438 -5.102 1.00 75.23 H new ATOM 0 HD23 LEU A 98 -3.319 2.405 -3.358 1.00 75.23 H new ATOM 1420 N LEU A 99 -7.545 4.291 -2.516 1.00 32.40 N ATOM 1421 CA LEU A 99 -8.400 3.662 -1.528 1.00 75.33 C ATOM 1422 C LEU A 99 -9.872 3.867 -1.881 1.00 31.32 C ATOM 1423 O LEU A 99 -10.674 2.957 -1.697 1.00 33.24 O ATOM 1424 CB LEU A 99 -7.991 4.101 -0.121 1.00 3.10 C ATOM 1425 CG LEU A 99 -8.815 5.252 0.487 1.00 60.24 C ATOM 1426 CD1 LEU A 99 -10.032 4.713 1.224 1.00 71.42 C ATOM 1427 CD2 LEU A 99 -7.969 6.048 1.461 1.00 35.23 C ATOM 0 H LEU A 99 -6.946 5.029 -2.145 1.00 32.40 H new ATOM 0 HA LEU A 99 -8.265 2.580 -1.537 1.00 75.33 H new ATOM 0 HB2 LEU A 99 -8.060 3.239 0.543 1.00 3.10 H new ATOM 0 HB3 LEU A 99 -6.944 4.402 -0.145 1.00 3.10 H new ATOM 0 HG LEU A 99 -9.142 5.895 -0.330 1.00 60.24 H new ATOM 0 HD11 LEU A 99 -10.599 5.543 1.645 1.00 71.42 H new ATOM 0 HD12 LEU A 99 -10.662 4.159 0.529 1.00 71.42 H new ATOM 0 HD13 LEU A 99 -9.707 4.051 2.027 1.00 71.42 H new ATOM 0 HD21 LEU A 99 -8.564 6.858 1.883 1.00 35.23 H new ATOM 0 HD22 LEU A 99 -7.626 5.395 2.263 1.00 35.23 H new ATOM 0 HD23 LEU A 99 -7.108 6.465 0.939 1.00 35.23 H new ATOM 1438 N ASP A 100 -10.211 5.020 -2.457 1.00 63.31 N ATOM 1439 CA ASP A 100 -11.576 5.363 -2.839 1.00 41.35 C ATOM 1440 C ASP A 100 -12.096 4.406 -3.926 1.00 34.02 C ATOM 1441 O ASP A 100 -13.280 4.057 -3.961 1.00 1.24 O ATOM 1442 CB ASP A 100 -11.616 6.832 -3.287 1.00 31.42 C ATOM 1443 CG ASP A 100 -12.964 7.471 -2.963 1.00 24.32 C ATOM 1444 OD1 ASP A 100 -13.124 7.926 -1.809 1.00 44.24 O ATOM 1445 OD2 ASP A 100 -13.841 7.555 -3.851 1.00 14.22 O ATOM 0 H ASP A 100 -9.533 5.751 -2.674 1.00 63.31 H new ATOM 0 HA ASP A 100 -12.241 5.248 -1.983 1.00 41.35 H new ATOM 0 HB2 ASP A 100 -10.819 7.388 -2.793 1.00 31.42 H new ATOM 0 HB3 ASP A 100 -11.430 6.893 -4.359 1.00 31.42 H new ATOM 1449 N GLN A 101 -11.197 3.886 -4.771 1.00 55.42 N ATOM 1450 CA GLN A 101 -11.512 2.841 -5.737 1.00 75.21 C ATOM 1451 C GLN A 101 -11.648 1.469 -5.064 1.00 1.12 C ATOM 1452 O GLN A 101 -12.554 0.719 -5.430 1.00 34.23 O ATOM 1453 CB GLN A 101 -10.458 2.805 -6.862 1.00 51.35 C ATOM 1454 CG GLN A 101 -10.531 4.068 -7.736 1.00 61.25 C ATOM 1455 CD GLN A 101 -9.969 3.858 -9.148 1.00 15.32 C ATOM 1456 OE1 GLN A 101 -10.411 2.965 -9.865 1.00 34.52 O ATOM 1457 NE2 GLN A 101 -9.041 4.691 -9.599 1.00 40.05 N ATOM 0 H GLN A 101 -10.222 4.186 -4.799 1.00 55.42 H new ATOM 0 HA GLN A 101 -12.479 3.080 -6.180 1.00 75.21 H new ATOM 0 HB2 GLN A 101 -9.462 2.718 -6.428 1.00 51.35 H new ATOM 0 HB3 GLN A 101 -10.614 1.922 -7.481 1.00 51.35 H new ATOM 0 HG2 GLN A 101 -11.569 4.392 -7.809 1.00 61.25 H new ATOM 0 HG3 GLN A 101 -9.980 4.872 -7.248 1.00 61.25 H new ATOM 0 HE21 GLN A 101 -8.681 5.429 -8.994 1.00 40.05 H new ATOM 0 HE22 GLN A 101 -8.687 4.593 -10.551 1.00 40.05 H new ATOM 1464 N MET A 102 -10.787 1.121 -4.099 1.00 34.12 N ATOM 1465 CA MET A 102 -10.679 -0.243 -3.554 1.00 22.11 C ATOM 1466 C MET A 102 -11.473 -0.501 -2.256 1.00 63.34 C ATOM 1467 O MET A 102 -11.455 -1.615 -1.742 1.00 72.42 O ATOM 1468 CB MET A 102 -9.194 -0.633 -3.411 1.00 3.43 C ATOM 1469 CG MET A 102 -8.402 0.227 -2.433 1.00 34.10 C ATOM 1470 SD MET A 102 -7.204 -0.627 -1.372 1.00 55.13 S ATOM 1471 CE MET A 102 -5.999 -1.200 -2.600 1.00 12.14 C ATOM 0 H MET A 102 -10.140 1.782 -3.670 1.00 34.12 H new ATOM 0 HA MET A 102 -11.163 -0.895 -4.281 1.00 22.11 H new ATOM 0 HB2 MET A 102 -9.135 -1.673 -3.090 1.00 3.43 H new ATOM 0 HB3 MET A 102 -8.721 -0.574 -4.391 1.00 3.43 H new ATOM 0 HG2 MET A 102 -7.868 0.986 -3.005 1.00 34.10 H new ATOM 0 HG3 MET A 102 -9.110 0.751 -1.791 1.00 34.10 H new ATOM 0 HE1 MET A 102 -5.199 -1.744 -2.098 1.00 12.14 H new ATOM 0 HE2 MET A 102 -6.493 -1.858 -3.315 1.00 12.14 H new ATOM 0 HE3 MET A 102 -5.580 -0.342 -3.126 1.00 12.14 H new ATOM 1479 N LYS A 103 -12.182 0.499 -1.726 1.00 61.42 N ATOM 1480 CA LYS A 103 -12.861 0.513 -0.424 1.00 40.22 C ATOM 1481 C LYS A 103 -13.734 -0.680 -0.036 1.00 2.20 C ATOM 1482 O LYS A 103 -13.991 -0.843 1.154 1.00 2.34 O ATOM 1483 CB LYS A 103 -13.684 1.814 -0.315 1.00 33.10 C ATOM 1484 CG LYS A 103 -13.025 2.837 0.625 1.00 42.12 C ATOM 1485 CD LYS A 103 -13.832 3.129 1.899 1.00 11.44 C ATOM 1486 CE LYS A 103 -14.399 4.552 1.902 1.00 52.44 C ATOM 1487 NZ LYS A 103 -15.436 4.784 0.868 1.00 42.23 N ATOM 0 H LYS A 103 -12.306 1.379 -2.226 1.00 61.42 H new ATOM 0 HA LYS A 103 -12.042 0.446 0.293 1.00 40.22 H new ATOM 0 HB2 LYS A 103 -13.799 2.254 -1.306 1.00 33.10 H new ATOM 0 HB3 LYS A 103 -14.685 1.580 0.048 1.00 33.10 H new ATOM 0 HG2 LYS A 103 -12.038 2.471 0.909 1.00 42.12 H new ATOM 0 HG3 LYS A 103 -12.875 3.770 0.081 1.00 42.12 H new ATOM 0 HD2 LYS A 103 -14.649 2.412 1.983 1.00 11.44 H new ATOM 0 HD3 LYS A 103 -13.195 2.990 2.772 1.00 11.44 H new ATOM 0 HE2 LYS A 103 -14.824 4.762 2.883 1.00 52.44 H new ATOM 0 HE3 LYS A 103 -13.583 5.259 1.750 1.00 52.44 H new ATOM 0 HZ1 LYS A 103 -15.773 5.766 0.929 1.00 42.23 H new ATOM 0 HZ2 LYS A 103 -15.030 4.615 -0.075 1.00 42.23 H new ATOM 0 HZ3 LYS A 103 -16.233 4.134 1.023 1.00 42.23 H new ATOM 1497 N ASN A 104 -14.226 -1.472 -0.982 1.00 75.41 N ATOM 1498 CA ASN A 104 -15.213 -2.520 -0.713 1.00 23.42 C ATOM 1499 C ASN A 104 -14.596 -3.914 -0.656 1.00 54.32 C ATOM 1500 O ASN A 104 -15.324 -4.887 -0.442 1.00 61.15 O ATOM 1501 CB ASN A 104 -16.350 -2.452 -1.744 1.00 64.13 C ATOM 1502 CG ASN A 104 -17.204 -1.218 -1.515 1.00 55.55 C ATOM 1503 OD1 ASN A 104 -18.194 -1.258 -0.787 1.00 23.13 O ATOM 1504 ND2 ASN A 104 -16.812 -0.081 -2.060 1.00 75.21 N ATOM 0 H ASN A 104 -13.952 -1.408 -1.963 1.00 75.41 H new ATOM 0 HA ASN A 104 -15.624 -2.333 0.279 1.00 23.42 H new ATOM 0 HB2 ASN A 104 -15.934 -2.432 -2.751 1.00 64.13 H new ATOM 0 HB3 ASN A 104 -16.968 -3.347 -1.672 1.00 64.13 H new ATOM 0 HD21 ASN A 104 -17.332 0.777 -1.879 1.00 75.21 H new ATOM 0 HD22 ASN A 104 -15.989 -0.061 -2.662 1.00 75.21 H new ATOM 1510 N TYR A 105 -13.293 -4.049 -0.896 1.00 43.14 N ATOM 1511 CA TYR A 105 -12.633 -5.350 -0.872 1.00 44.45 C ATOM 1512 C TYR A 105 -12.226 -5.754 0.542 1.00 0.20 C ATOM 1513 O TYR A 105 -12.378 -5.002 1.503 1.00 64.23 O ATOM 1514 CB TYR A 105 -11.438 -5.338 -1.828 1.00 63.05 C ATOM 1515 CG TYR A 105 -11.819 -4.970 -3.246 1.00 71.23 C ATOM 1516 CD1 TYR A 105 -12.840 -5.680 -3.897 1.00 20.12 C ATOM 1517 CD2 TYR A 105 -11.198 -3.889 -3.889 1.00 75.12 C ATOM 1518 CE1 TYR A 105 -13.236 -5.332 -5.195 1.00 73.14 C ATOM 1519 CE2 TYR A 105 -11.579 -3.535 -5.199 1.00 61.25 C ATOM 1520 CZ TYR A 105 -12.605 -4.255 -5.850 1.00 13.13 C ATOM 1521 OH TYR A 105 -13.076 -3.854 -7.060 1.00 71.25 O ATOM 0 H TYR A 105 -12.672 -3.268 -1.110 1.00 43.14 H new ATOM 0 HA TYR A 105 -13.341 -6.105 -1.212 1.00 44.45 H new ATOM 0 HB2 TYR A 105 -10.694 -4.630 -1.462 1.00 63.05 H new ATOM 0 HB3 TYR A 105 -10.969 -6.322 -1.827 1.00 63.05 H new ATOM 0 HD1 TYR A 105 -13.325 -6.503 -3.392 1.00 20.12 H new ATOM 0 HD2 TYR A 105 -10.428 -3.328 -3.380 1.00 75.12 H new ATOM 0 HE1 TYR A 105 -14.020 -5.885 -5.691 1.00 73.14 H new ATOM 0 HE2 TYR A 105 -11.088 -2.716 -5.703 1.00 61.25 H new ATOM 0 HH TYR A 105 -12.540 -3.101 -7.386 1.00 71.25 H new ATOM 1530 N ARG A 106 -11.707 -6.974 0.671 1.00 0.30 N ATOM 1531 CA ARG A 106 -11.172 -7.535 1.903 1.00 60.04 C ATOM 1532 C ARG A 106 -9.814 -8.151 1.587 1.00 34.22 C ATOM 1533 O ARG A 106 -9.423 -8.248 0.420 1.00 61.35 O ATOM 1534 CB ARG A 106 -12.134 -8.600 2.454 1.00 21.33 C ATOM 1535 CG ARG A 106 -13.583 -8.132 2.630 1.00 22.24 C ATOM 1536 CD ARG A 106 -13.791 -7.317 3.914 1.00 53.31 C ATOM 1537 NE ARG A 106 -15.166 -6.808 3.982 1.00 75.15 N ATOM 1538 CZ ARG A 106 -16.278 -7.544 4.070 1.00 24.02 C ATOM 1539 NH1 ARG A 106 -16.235 -8.843 4.371 1.00 54.44 N ATOM 1540 NH2 ARG A 106 -17.448 -6.970 3.831 1.00 41.22 N ATOM 0 H ARG A 106 -11.647 -7.622 -0.114 1.00 0.30 H new ATOM 0 HA ARG A 106 -11.060 -6.760 2.661 1.00 60.04 H new ATOM 0 HB2 ARG A 106 -12.124 -9.459 1.784 1.00 21.33 H new ATOM 0 HB3 ARG A 106 -11.759 -8.944 3.418 1.00 21.33 H new ATOM 0 HG2 ARG A 106 -13.872 -7.528 1.770 1.00 22.24 H new ATOM 0 HG3 ARG A 106 -14.242 -9.000 2.645 1.00 22.24 H new ATOM 0 HD2 ARG A 106 -13.584 -7.939 4.785 1.00 53.31 H new ATOM 0 HD3 ARG A 106 -13.087 -6.485 3.942 1.00 53.31 H new ATOM 0 HE ARG A 106 -15.284 -5.795 3.960 1.00 75.15 H new ATOM 0 HH11 ARG A 106 -15.338 -9.298 4.540 1.00 54.44 H new ATOM 0 HH12 ARG A 106 -17.099 -9.381 4.432 1.00 54.44 H new ATOM 0 HH21 ARG A 106 -17.490 -5.981 3.584 1.00 41.22 H new ATOM 0 HH22 ARG A 106 -18.307 -7.517 3.894 1.00 41.22 H new ATOM 1551 N GLY A 107 -9.123 -8.606 2.620 1.00 13.33 N ATOM 1552 CA GLY A 107 -7.750 -9.052 2.564 1.00 71.05 C ATOM 1553 C GLY A 107 -7.032 -8.422 3.743 1.00 74.04 C ATOM 1554 O GLY A 107 -7.657 -7.839 4.634 1.00 54.45 O ATOM 0 H GLY A 107 -9.524 -8.675 3.555 1.00 13.33 H new ATOM 0 HA2 GLY A 107 -7.695 -10.139 2.615 1.00 71.05 H new ATOM 0 HA3 GLY A 107 -7.285 -8.753 1.625 1.00 71.05 H new ATOM 1558 N GLU A 108 -5.719 -8.540 3.749 1.00 15.11 N ATOM 1559 CA GLU A 108 -4.803 -7.951 4.697 1.00 54.23 C ATOM 1560 C GLU A 108 -4.001 -6.904 3.935 1.00 0.23 C ATOM 1561 O GLU A 108 -3.522 -7.170 2.832 1.00 13.24 O ATOM 1562 CB GLU A 108 -3.918 -9.067 5.246 1.00 15.10 C ATOM 1563 CG GLU A 108 -4.643 -10.044 6.177 1.00 1.51 C ATOM 1564 CD GLU A 108 -3.700 -11.109 6.744 1.00 34.24 C ATOM 1565 OE1 GLU A 108 -2.644 -11.427 6.143 1.00 74.23 O ATOM 1566 OE2 GLU A 108 -4.014 -11.655 7.826 1.00 2.10 O ATOM 0 H GLU A 108 -5.233 -9.089 3.040 1.00 15.11 H new ATOM 0 HA GLU A 108 -5.302 -7.473 5.540 1.00 54.23 H new ATOM 0 HB2 GLU A 108 -3.496 -9.625 4.410 1.00 15.10 H new ATOM 0 HB3 GLU A 108 -3.083 -8.621 5.786 1.00 15.10 H new ATOM 0 HG2 GLU A 108 -5.099 -9.491 6.998 1.00 1.51 H new ATOM 0 HG3 GLU A 108 -5.452 -10.530 5.632 1.00 1.51 H new ATOM 1571 N VAL A 109 -3.899 -5.692 4.478 1.00 34.20 N ATOM 1572 CA VAL A 109 -3.483 -4.546 3.682 1.00 75.02 C ATOM 1573 C VAL A 109 -2.506 -3.705 4.496 1.00 3.51 C ATOM 1574 O VAL A 109 -2.910 -2.817 5.243 1.00 61.15 O ATOM 1575 CB VAL A 109 -4.736 -3.775 3.212 1.00 13.43 C ATOM 1576 CG1 VAL A 109 -4.319 -2.711 2.189 1.00 4.40 C ATOM 1577 CG2 VAL A 109 -5.806 -4.659 2.542 1.00 35.30 C ATOM 0 H VAL A 109 -4.097 -5.482 5.456 1.00 34.20 H new ATOM 0 HA VAL A 109 -2.953 -4.852 2.780 1.00 75.02 H new ATOM 0 HB VAL A 109 -5.175 -3.347 4.113 1.00 13.43 H new ATOM 0 HG11 VAL A 109 -5.200 -2.164 1.854 1.00 4.40 H new ATOM 0 HG12 VAL A 109 -3.615 -2.018 2.651 1.00 4.40 H new ATOM 0 HG13 VAL A 109 -3.845 -3.194 1.334 1.00 4.40 H new ATOM 0 HG21 VAL A 109 -6.652 -4.041 2.241 1.00 35.30 H new ATOM 0 HG22 VAL A 109 -5.380 -5.143 1.663 1.00 35.30 H new ATOM 0 HG23 VAL A 109 -6.144 -5.419 3.247 1.00 35.30 H new ATOM 1587 N ALA A 110 -1.210 -3.995 4.419 1.00 33.14 N ATOM 1588 CA ALA A 110 -0.197 -3.250 5.165 1.00 41.53 C ATOM 1589 C ALA A 110 0.370 -2.143 4.282 1.00 41.12 C ATOM 1590 O ALA A 110 0.638 -2.360 3.101 1.00 32.21 O ATOM 1591 CB ALA A 110 0.872 -4.180 5.734 1.00 73.30 C ATOM 0 H ALA A 110 -0.833 -4.747 3.842 1.00 33.14 H new ATOM 0 HA ALA A 110 -0.656 -2.775 6.032 1.00 41.53 H new ATOM 0 HB1 ALA A 110 1.609 -3.594 6.283 1.00 73.30 H new ATOM 0 HB2 ALA A 110 0.407 -4.900 6.407 1.00 73.30 H new ATOM 0 HB3 ALA A 110 1.364 -4.711 4.919 1.00 73.30 H new ATOM 1597 N SER A 111 0.546 -0.962 4.869 1.00 33.21 N ATOM 1598 CA SER A 111 0.858 0.277 4.185 1.00 44.44 C ATOM 1599 C SER A 111 2.068 0.912 4.862 1.00 2.23 C ATOM 1600 O SER A 111 1.939 1.686 5.818 1.00 73.42 O ATOM 1601 CB SER A 111 -0.376 1.180 4.195 1.00 12.55 C ATOM 1602 OG SER A 111 -1.409 0.604 3.414 1.00 43.53 O ATOM 0 H SER A 111 0.470 -0.844 5.879 1.00 33.21 H new ATOM 0 HA SER A 111 1.117 0.105 3.140 1.00 44.44 H new ATOM 0 HB2 SER A 111 -0.722 1.325 5.219 1.00 12.55 H new ATOM 0 HB3 SER A 111 -0.119 2.164 3.803 1.00 12.55 H new ATOM 0 HG SER A 111 -2.195 1.189 3.429 1.00 43.53 H new ATOM 1607 N PHE A 112 3.252 0.553 4.371 1.00 12.33 N ATOM 1608 CA PHE A 112 4.526 1.027 4.872 1.00 40.51 C ATOM 1609 C PHE A 112 5.047 2.161 4.002 1.00 21.44 C ATOM 1610 O PHE A 112 4.480 2.507 2.960 1.00 24.43 O ATOM 1611 CB PHE A 112 5.519 -0.128 4.989 1.00 75.40 C ATOM 1612 CG PHE A 112 5.985 -0.729 3.686 1.00 31.05 C ATOM 1613 CD1 PHE A 112 5.257 -1.765 3.068 1.00 24.43 C ATOM 1614 CD2 PHE A 112 7.191 -0.277 3.121 1.00 21.13 C ATOM 1615 CE1 PHE A 112 5.748 -2.352 1.889 1.00 62.00 C ATOM 1616 CE2 PHE A 112 7.670 -0.865 1.943 1.00 60.22 C ATOM 1617 CZ PHE A 112 6.947 -1.894 1.321 1.00 74.03 C ATOM 0 H PHE A 112 3.347 -0.096 3.590 1.00 12.33 H new ATOM 0 HA PHE A 112 4.391 1.430 5.876 1.00 40.51 H new ATOM 0 HB2 PHE A 112 6.393 0.223 5.538 1.00 75.40 H new ATOM 0 HB3 PHE A 112 5.062 -0.916 5.588 1.00 75.40 H new ATOM 0 HD1 PHE A 112 4.327 -2.106 3.498 1.00 24.43 H new ATOM 0 HD2 PHE A 112 7.746 0.520 3.593 1.00 21.13 H new ATOM 0 HE1 PHE A 112 5.202 -3.157 1.419 1.00 62.00 H new ATOM 0 HE2 PHE A 112 8.600 -0.525 1.512 1.00 60.22 H new ATOM 0 HZ PHE A 112 7.313 -2.334 0.405 1.00 74.03 H new ATOM 1626 N PHE A 113 6.115 2.799 4.473 1.00 75.23 N ATOM 1627 CA PHE A 113 6.631 4.017 3.884 1.00 60.30 C ATOM 1628 C PHE A 113 8.156 4.013 3.952 1.00 44.20 C ATOM 1629 O PHE A 113 8.721 3.342 4.821 1.00 21.13 O ATOM 1630 CB PHE A 113 6.076 5.236 4.649 1.00 3.12 C ATOM 1631 CG PHE A 113 4.570 5.496 4.599 1.00 33.12 C ATOM 1632 CD1 PHE A 113 3.666 4.665 5.290 1.00 13.15 C ATOM 1633 CD2 PHE A 113 4.064 6.614 3.908 1.00 14.52 C ATOM 1634 CE1 PHE A 113 2.283 4.916 5.259 1.00 20.21 C ATOM 1635 CE2 PHE A 113 2.680 6.868 3.876 1.00 24.13 C ATOM 1636 CZ PHE A 113 1.788 6.018 4.547 1.00 74.13 C ATOM 0 H PHE A 113 6.647 2.477 5.282 1.00 75.23 H new ATOM 0 HA PHE A 113 6.320 4.076 2.841 1.00 60.30 H new ATOM 0 HB2 PHE A 113 6.361 5.130 5.696 1.00 3.12 H new ATOM 0 HB3 PHE A 113 6.580 6.125 4.270 1.00 3.12 H new ATOM 0 HD1 PHE A 113 4.041 3.822 5.852 1.00 13.15 H new ATOM 0 HD2 PHE A 113 4.743 7.282 3.399 1.00 14.52 H new ATOM 0 HE1 PHE A 113 1.603 4.261 5.783 1.00 20.21 H new ATOM 0 HE2 PHE A 113 2.303 7.721 3.332 1.00 24.13 H new ATOM 0 HZ PHE A 113 0.726 6.211 4.515 1.00 74.13 H new ATOM 1645 N THR A 114 8.799 4.841 3.129 1.00 0.11 N ATOM 1646 CA THR A 114 10.208 5.203 3.254 1.00 14.12 C ATOM 1647 C THR A 114 10.295 6.636 3.793 1.00 15.33 C ATOM 1648 O THR A 114 9.434 7.468 3.492 1.00 53.43 O ATOM 1649 CB THR A 114 10.930 5.013 1.901 1.00 14.25 C ATOM 1650 OG1 THR A 114 10.225 5.562 0.796 1.00 55.10 O ATOM 1651 CG2 THR A 114 11.118 3.518 1.611 1.00 24.35 C ATOM 0 H THR A 114 8.341 5.290 2.336 1.00 0.11 H new ATOM 0 HA THR A 114 10.719 4.550 3.961 1.00 14.12 H new ATOM 0 HB THR A 114 11.880 5.538 2.004 1.00 14.25 H new ATOM 0 HG1 THR A 114 10.736 5.409 -0.026 1.00 55.10 H new ATOM 0 HG21 THR A 114 11.628 3.394 0.655 1.00 24.35 H new ATOM 0 HG22 THR A 114 11.716 3.066 2.402 1.00 24.35 H new ATOM 0 HG23 THR A 114 10.144 3.030 1.569 1.00 24.35 H new ATOM 1659 N SER A 115 11.306 6.937 4.612 1.00 40.30 N ATOM 1660 CA SER A 115 11.500 8.250 5.213 1.00 33.25 C ATOM 1661 C SER A 115 12.983 8.466 5.526 1.00 63.12 C ATOM 1662 O SER A 115 13.785 7.536 5.446 1.00 63.22 O ATOM 1663 CB SER A 115 10.645 8.347 6.490 1.00 15.21 C ATOM 1664 OG SER A 115 11.018 7.355 7.437 1.00 44.51 O ATOM 0 H SER A 115 12.022 6.261 4.878 1.00 40.30 H new ATOM 0 HA SER A 115 11.187 9.029 4.518 1.00 33.25 H new ATOM 0 HB2 SER A 115 10.759 9.337 6.932 1.00 15.21 H new ATOM 0 HB3 SER A 115 9.592 8.232 6.235 1.00 15.21 H new ATOM 0 HG SER A 115 10.460 7.441 8.238 1.00 44.51 H new ATOM 1669 N ALA A 116 13.333 9.674 5.976 1.00 51.21 N ATOM 1670 CA ALA A 116 14.591 9.986 6.632 1.00 32.22 C ATOM 1671 C ALA A 116 14.387 9.792 8.140 1.00 23.23 C ATOM 1672 O ALA A 116 14.645 10.715 8.919 1.00 51.23 O ATOM 1673 CB ALA A 116 15.000 11.424 6.269 1.00 72.41 C ATOM 0 H ALA A 116 12.722 10.486 5.887 1.00 51.21 H new ATOM 0 HA ALA A 116 15.399 9.332 6.306 1.00 32.22 H new ATOM 0 HB1 ALA A 116 15.944 11.668 6.757 1.00 72.41 H new ATOM 0 HB2 ALA A 116 15.118 11.507 5.189 1.00 72.41 H new ATOM 0 HB3 ALA A 116 14.229 12.117 6.604 1.00 72.41 H new ATOM 1679 N GLY A 117 13.799 8.662 8.548 1.00 62.31 N ATOM 1680 CA GLY A 117 13.590 8.301 9.949 1.00 44.33 C ATOM 1681 C GLY A 117 12.566 9.156 10.705 1.00 74.24 C ATOM 1682 O GLY A 117 12.398 9.000 11.922 1.00 74.12 O ATOM 0 H GLY A 117 13.449 7.960 7.897 1.00 62.31 H new ATOM 0 HA2 GLY A 117 13.272 7.259 9.994 1.00 44.33 H new ATOM 0 HA3 GLY A 117 14.546 8.365 10.469 1.00 44.33 H new ATOM 1686 N THR A 118 11.901 10.079 10.012 1.00 34.42 N ATOM 1687 CA THR A 118 11.274 11.248 10.604 1.00 62.12 C ATOM 1688 C THR A 118 9.753 11.138 10.589 1.00 73.31 C ATOM 1689 O THR A 118 9.170 10.378 9.810 1.00 54.13 O ATOM 1690 CB THR A 118 11.782 12.524 9.892 1.00 55.51 C ATOM 1691 OG1 THR A 118 12.371 12.260 8.627 1.00 61.32 O ATOM 1692 CG2 THR A 118 12.847 13.188 10.757 1.00 32.42 C ATOM 0 H THR A 118 11.783 10.029 9.000 1.00 34.42 H new ATOM 0 HA THR A 118 11.558 11.310 11.654 1.00 62.12 H new ATOM 0 HB THR A 118 10.911 13.162 9.740 1.00 55.51 H new ATOM 0 HG1 THR A 118 13.240 11.825 8.755 1.00 61.32 H new ATOM 0 HG21 THR A 118 13.209 14.088 10.261 1.00 32.42 H new ATOM 0 HG22 THR A 118 12.417 13.454 11.723 1.00 32.42 H new ATOM 0 HG23 THR A 118 13.677 12.497 10.907 1.00 32.42 H new ATOM 1700 N ASN A 119 9.112 11.934 11.452 1.00 62.20 N ATOM 1701 CA ASN A 119 7.662 12.073 11.584 1.00 31.45 C ATOM 1702 C ASN A 119 6.950 10.723 11.704 1.00 3.41 C ATOM 1703 O ASN A 119 5.835 10.538 11.210 1.00 53.44 O ATOM 1704 CB ASN A 119 7.129 12.967 10.458 1.00 40.22 C ATOM 1705 CG ASN A 119 7.624 14.384 10.664 1.00 2.24 C ATOM 1706 OD1 ASN A 119 7.188 15.058 11.593 1.00 22.32 O ATOM 1707 ND2 ASN A 119 8.537 14.854 9.838 1.00 74.43 N ATOM 0 H ASN A 119 9.618 12.527 12.109 1.00 62.20 H new ATOM 0 HA ASN A 119 7.436 12.571 12.527 1.00 31.45 H new ATOM 0 HB2 ASN A 119 7.462 12.590 9.491 1.00 40.22 H new ATOM 0 HB3 ASN A 119 6.039 12.948 10.449 1.00 40.22 H new ATOM 0 HD21 ASN A 119 8.899 15.800 9.962 1.00 74.43 H new ATOM 0 HD22 ASN A 119 8.882 14.272 9.074 1.00 74.43 H new ATOM 1713 N HIS A 120 7.602 9.758 12.361 1.00 62.01 N ATOM 1714 CA HIS A 120 7.205 8.357 12.331 1.00 41.53 C ATOM 1715 C HIS A 120 5.898 8.102 13.093 1.00 44.21 C ATOM 1716 O HIS A 120 5.374 6.997 13.047 1.00 0.44 O ATOM 1717 CB HIS A 120 8.315 7.470 12.915 1.00 11.43 C ATOM 1718 CG HIS A 120 8.318 7.421 14.427 1.00 4.53 C ATOM 1719 ND1 HIS A 120 8.932 8.320 15.267 1.00 42.24 N ATOM 1720 CD2 HIS A 120 7.603 6.548 15.206 1.00 61.32 C ATOM 1721 CE1 HIS A 120 8.596 8.000 16.527 1.00 22.23 C ATOM 1722 NE2 HIS A 120 7.782 6.926 16.543 1.00 21.41 N ATOM 0 H HIS A 120 8.428 9.935 12.933 1.00 62.01 H new ATOM 0 HA HIS A 120 7.038 8.102 11.284 1.00 41.53 H new ATOM 0 HB2 HIS A 120 8.201 6.458 12.527 1.00 11.43 H new ATOM 0 HB3 HIS A 120 9.281 7.837 12.570 1.00 11.43 H new ATOM 0 HD2 HIS A 120 7.009 5.718 14.852 1.00 61.32 H new ATOM 0 HE1 HIS A 120 8.932 8.530 17.406 1.00 22.23 H new ATOM 0 HE2 HIS A 120 7.377 6.478 17.365 1.00 21.41 H new ATOM 1729 N LYS A 121 5.380 9.091 13.818 1.00 63.12 N ATOM 1730 CA LYS A 121 4.104 9.016 14.512 1.00 75.34 C ATOM 1731 C LYS A 121 3.047 9.840 13.780 1.00 54.20 C ATOM 1732 O LYS A 121 1.908 9.389 13.672 1.00 55.24 O ATOM 1733 CB LYS A 121 4.321 9.456 15.969 1.00 22.04 C ATOM 1734 CG LYS A 121 4.097 8.303 16.948 1.00 35.33 C ATOM 1735 CD LYS A 121 2.596 8.086 17.167 1.00 74.24 C ATOM 1736 CE LYS A 121 2.346 7.030 18.241 1.00 71.44 C ATOM 1737 NZ LYS A 121 0.925 7.025 18.614 1.00 14.12 N ATOM 0 H LYS A 121 5.851 9.988 13.940 1.00 63.12 H new ATOM 0 HA LYS A 121 3.724 7.994 14.522 1.00 75.34 H new ATOM 0 HB2 LYS A 121 5.334 9.841 16.086 1.00 22.04 H new ATOM 0 HB3 LYS A 121 3.640 10.273 16.207 1.00 22.04 H new ATOM 0 HG2 LYS A 121 4.552 7.392 16.560 1.00 35.33 H new ATOM 0 HG3 LYS A 121 4.584 8.522 17.898 1.00 35.33 H new ATOM 0 HD2 LYS A 121 2.128 9.026 17.460 1.00 74.24 H new ATOM 0 HD3 LYS A 121 2.130 7.776 16.232 1.00 74.24 H new ATOM 0 HE2 LYS A 121 2.638 6.047 17.872 1.00 71.44 H new ATOM 0 HE3 LYS A 121 2.961 7.237 19.117 1.00 71.44 H new ATOM 0 HZ1 LYS A 121 0.761 6.304 19.345 1.00 14.12 H new ATOM 0 HZ2 LYS A 121 0.660 7.960 18.984 1.00 14.12 H new ATOM 0 HZ3 LYS A 121 0.347 6.807 17.777 1.00 14.12 H new ATOM 1747 N ALA A 122 3.426 10.990 13.211 1.00 13.35 N ATOM 1748 CA ALA A 122 2.515 11.829 12.435 1.00 64.23 C ATOM 1749 C ALA A 122 1.973 11.033 11.250 1.00 24.23 C ATOM 1750 O ALA A 122 0.768 11.045 11.012 1.00 42.11 O ATOM 1751 CB ALA A 122 3.208 13.116 11.955 1.00 55.10 C ATOM 0 H ALA A 122 4.373 11.362 13.277 1.00 13.35 H new ATOM 0 HA ALA A 122 1.686 12.127 13.077 1.00 64.23 H new ATOM 0 HB1 ALA A 122 2.502 13.717 11.381 1.00 55.10 H new ATOM 0 HB2 ALA A 122 3.553 13.687 12.817 1.00 55.10 H new ATOM 0 HB3 ALA A 122 4.060 12.858 11.326 1.00 55.10 H new ATOM 1757 N TYR A 123 2.847 10.305 10.541 1.00 43.12 N ATOM 1758 CA TYR A 123 2.466 9.572 9.334 1.00 22.15 C ATOM 1759 C TYR A 123 1.390 8.537 9.663 1.00 14.53 C ATOM 1760 O TYR A 123 0.502 8.308 8.853 1.00 12.54 O ATOM 1761 CB TYR A 123 3.689 8.889 8.702 1.00 75.13 C ATOM 1762 CG TYR A 123 3.961 7.439 9.010 1.00 63.41 C ATOM 1763 CD1 TYR A 123 3.366 6.410 8.262 1.00 40.14 C ATOM 1764 CD2 TYR A 123 4.896 7.134 9.993 1.00 72.04 C ATOM 1765 CE1 TYR A 123 3.727 5.075 8.506 1.00 4.22 C ATOM 1766 CE2 TYR A 123 5.292 5.811 10.229 1.00 22.15 C ATOM 1767 CZ TYR A 123 4.702 4.774 9.483 1.00 43.42 C ATOM 1768 OH TYR A 123 5.085 3.495 9.710 1.00 60.21 O ATOM 0 H TYR A 123 3.832 10.210 10.789 1.00 43.12 H new ATOM 0 HA TYR A 123 2.062 10.283 8.613 1.00 22.15 H new ATOM 0 HB2 TYR A 123 3.595 8.983 7.620 1.00 75.13 H new ATOM 0 HB3 TYR A 123 4.571 9.458 8.996 1.00 75.13 H new ATOM 0 HD1 TYR A 123 2.634 6.644 7.503 1.00 40.14 H new ATOM 0 HD2 TYR A 123 5.324 7.930 10.584 1.00 72.04 H new ATOM 0 HE1 TYR A 123 3.259 4.278 7.947 1.00 4.22 H new ATOM 0 HE2 TYR A 123 6.041 5.590 10.975 1.00 22.15 H new ATOM 0 HH TYR A 123 5.765 3.477 10.416 1.00 60.21 H new ATOM 1777 N VAL A 124 1.459 7.921 10.846 1.00 64.12 N ATOM 1778 CA VAL A 124 0.535 6.880 11.275 1.00 31.21 C ATOM 1779 C VAL A 124 -0.845 7.501 11.519 1.00 20.02 C ATOM 1780 O VAL A 124 -1.825 6.991 10.972 1.00 34.31 O ATOM 1781 CB VAL A 124 1.080 6.124 12.507 1.00 61.24 C ATOM 1782 CG1 VAL A 124 0.226 4.892 12.832 1.00 74.32 C ATOM 1783 CG2 VAL A 124 2.512 5.627 12.262 1.00 11.45 C ATOM 0 H VAL A 124 2.173 8.139 11.541 1.00 64.12 H new ATOM 0 HA VAL A 124 0.432 6.132 10.489 1.00 31.21 H new ATOM 0 HB VAL A 124 1.054 6.832 13.335 1.00 61.24 H new ATOM 0 HG11 VAL A 124 0.638 4.384 13.704 1.00 74.32 H new ATOM 0 HG12 VAL A 124 -0.797 5.204 13.043 1.00 74.32 H new ATOM 0 HG13 VAL A 124 0.230 4.212 11.980 1.00 74.32 H new ATOM 0 HG21 VAL A 124 2.870 5.099 13.146 1.00 11.45 H new ATOM 0 HG22 VAL A 124 2.521 4.951 11.407 1.00 11.45 H new ATOM 0 HG23 VAL A 124 3.163 6.478 12.060 1.00 11.45 H new ATOM 1793 N SER A 125 -0.940 8.613 12.267 1.00 4.53 N ATOM 1794 CA SER A 125 -2.224 9.299 12.449 1.00 64.24 C ATOM 1795 C SER A 125 -2.789 9.758 11.101 1.00 14.42 C ATOM 1796 O SER A 125 -3.986 9.596 10.841 1.00 34.21 O ATOM 1797 CB SER A 125 -2.084 10.505 13.390 1.00 72.21 C ATOM 1798 OG SER A 125 -2.253 10.121 14.745 1.00 31.22 O ATOM 0 H SER A 125 -0.153 9.049 12.748 1.00 4.53 H new ATOM 0 HA SER A 125 -2.914 8.586 12.901 1.00 64.24 H new ATOM 0 HB2 SER A 125 -1.103 10.960 13.258 1.00 72.21 H new ATOM 0 HB3 SER A 125 -2.824 11.261 13.129 1.00 72.21 H new ATOM 0 HG SER A 125 -2.157 10.907 15.322 1.00 31.22 H new ATOM 1803 N HIS A 126 -1.941 10.325 10.242 1.00 51.44 N ATOM 1804 CA HIS A 126 -2.353 10.805 8.938 1.00 24.31 C ATOM 1805 C HIS A 126 -2.806 9.648 8.052 1.00 53.54 C ATOM 1806 O HIS A 126 -3.804 9.777 7.350 1.00 4.13 O ATOM 1807 CB HIS A 126 -1.229 11.648 8.319 1.00 72.30 C ATOM 1808 CG HIS A 126 -1.344 13.087 8.734 1.00 64.22 C ATOM 1809 ND1 HIS A 126 -1.829 14.110 7.958 1.00 23.02 N ATOM 1810 CD2 HIS A 126 -1.096 13.587 9.979 1.00 32.45 C ATOM 1811 CE1 HIS A 126 -1.886 15.213 8.723 1.00 14.23 C ATOM 1812 NE2 HIS A 126 -1.450 14.940 9.965 1.00 41.32 N ATOM 0 H HIS A 126 -0.949 10.461 10.438 1.00 51.44 H new ATOM 0 HA HIS A 126 -3.221 11.457 9.039 1.00 24.31 H new ATOM 0 HB2 HIS A 126 -0.261 11.253 8.628 1.00 72.30 H new ATOM 0 HB3 HIS A 126 -1.271 11.575 7.232 1.00 72.30 H new ATOM 0 HD2 HIS A 126 -0.699 13.039 10.821 1.00 32.45 H new ATOM 0 HE1 HIS A 126 -2.232 16.180 8.388 1.00 14.23 H new ATOM 0 HE2 HIS A 126 -1.389 15.593 10.746 1.00 41.32 H new ATOM 1819 N PHE A 127 -2.127 8.502 8.062 1.00 33.23 N ATOM 1820 CA PHE A 127 -2.598 7.343 7.321 1.00 61.12 C ATOM 1821 C PHE A 127 -3.951 6.882 7.860 1.00 22.23 C ATOM 1822 O PHE A 127 -4.846 6.693 7.054 1.00 63.03 O ATOM 1823 CB PHE A 127 -1.564 6.212 7.304 1.00 2.54 C ATOM 1824 CG PHE A 127 -2.024 5.059 6.432 1.00 44.13 C ATOM 1825 CD1 PHE A 127 -2.041 5.198 5.028 1.00 20.12 C ATOM 1826 CD2 PHE A 127 -2.526 3.884 7.023 1.00 53.54 C ATOM 1827 CE1 PHE A 127 -2.548 4.166 4.222 1.00 62.33 C ATOM 1828 CE2 PHE A 127 -3.039 2.854 6.217 1.00 44.53 C ATOM 1829 CZ PHE A 127 -3.053 3.002 4.821 1.00 63.25 C ATOM 0 H PHE A 127 -1.256 8.356 8.572 1.00 33.23 H new ATOM 0 HA PHE A 127 -2.736 7.639 6.281 1.00 61.12 H new ATOM 0 HB2 PHE A 127 -0.611 6.592 6.935 1.00 2.54 H new ATOM 0 HB3 PHE A 127 -1.393 5.857 8.320 1.00 2.54 H new ATOM 0 HD1 PHE A 127 -1.663 6.101 4.572 1.00 20.12 H new ATOM 0 HD2 PHE A 127 -2.517 3.774 8.097 1.00 53.54 H new ATOM 0 HE1 PHE A 127 -2.549 4.268 3.147 1.00 62.33 H new ATOM 0 HE2 PHE A 127 -3.421 1.951 6.670 1.00 44.53 H new ATOM 0 HZ PHE A 127 -3.456 2.213 4.203 1.00 63.25 H new ATOM 1838 N ASN A 128 -4.114 6.763 9.184 1.00 35.42 N ATOM 1839 CA ASN A 128 -5.342 6.282 9.827 1.00 31.11 C ATOM 1840 C ASN A 128 -6.558 7.062 9.335 1.00 75.03 C ATOM 1841 O ASN A 128 -7.488 6.482 8.786 1.00 13.22 O ATOM 1842 CB ASN A 128 -5.246 6.377 11.363 1.00 22.04 C ATOM 1843 CG ASN A 128 -4.720 5.101 11.994 1.00 53.45 C ATOM 1844 OD1 ASN A 128 -5.482 4.328 12.562 1.00 75.05 O ATOM 1845 ND2 ASN A 128 -3.431 4.835 11.923 1.00 20.33 N ATOM 0 H ASN A 128 -3.381 7.003 9.851 1.00 35.42 H new ATOM 0 HA ASN A 128 -5.461 5.234 9.553 1.00 31.11 H new ATOM 0 HB2 ASN A 128 -4.593 7.207 11.632 1.00 22.04 H new ATOM 0 HB3 ASN A 128 -6.231 6.601 11.772 1.00 22.04 H new ATOM 0 HD21 ASN A 128 -3.063 3.981 12.342 1.00 20.33 H new ATOM 0 HD22 ASN A 128 -2.802 5.483 11.449 1.00 20.33 H new ATOM 1851 N GLU A 129 -6.548 8.384 9.508 1.00 64.22 N ATOM 1852 CA GLU A 129 -7.659 9.250 9.111 1.00 41.35 C ATOM 1853 C GLU A 129 -7.960 9.149 7.614 1.00 62.41 C ATOM 1854 O GLU A 129 -9.117 9.197 7.195 1.00 42.25 O ATOM 1855 CB GLU A 129 -7.283 10.702 9.458 1.00 64.42 C ATOM 1856 CG GLU A 129 -8.066 11.239 10.654 1.00 72.45 C ATOM 1857 CD GLU A 129 -9.434 11.767 10.223 1.00 64.21 C ATOM 1858 OE1 GLU A 129 -9.478 12.868 9.626 1.00 31.01 O ATOM 1859 OE2 GLU A 129 -10.457 11.141 10.568 1.00 42.32 O ATOM 0 H GLU A 129 -5.766 8.886 9.929 1.00 64.22 H new ATOM 0 HA GLU A 129 -8.554 8.933 9.646 1.00 41.35 H new ATOM 0 HB2 GLU A 129 -6.216 10.756 9.673 1.00 64.42 H new ATOM 0 HB3 GLU A 129 -7.467 11.338 8.592 1.00 64.42 H new ATOM 0 HG2 GLU A 129 -8.194 10.448 11.393 1.00 72.45 H new ATOM 0 HG3 GLU A 129 -7.500 12.037 11.135 1.00 72.45 H new ATOM 1864 N TRP A 130 -6.913 9.002 6.807 1.00 74.43 N ATOM 1865 CA TRP A 130 -7.016 8.908 5.367 1.00 74.05 C ATOM 1866 C TRP A 130 -7.017 7.454 4.907 1.00 4.34 C ATOM 1867 O TRP A 130 -6.614 7.205 3.772 1.00 2.31 O ATOM 1868 CB TRP A 130 -5.918 9.769 4.727 1.00 73.31 C ATOM 1869 CG TRP A 130 -6.009 11.217 5.103 1.00 31.24 C ATOM 1870 CD1 TRP A 130 -5.055 11.956 5.712 1.00 3.21 C ATOM 1871 CD2 TRP A 130 -7.139 12.118 4.918 1.00 23.33 C ATOM 1872 NE1 TRP A 130 -5.522 13.223 5.954 1.00 3.52 N ATOM 1873 CE2 TRP A 130 -6.790 13.388 5.459 1.00 43.13 C ATOM 1874 CE3 TRP A 130 -8.423 11.994 4.349 1.00 11.43 C ATOM 1875 CZ2 TRP A 130 -7.652 14.483 5.416 1.00 2.20 C ATOM 1876 CZ3 TRP A 130 -9.285 13.100 4.258 1.00 12.40 C ATOM 1877 CH2 TRP A 130 -8.888 14.345 4.771 1.00 61.15 C ATOM 0 H TRP A 130 -5.954 8.945 7.149 1.00 74.43 H new ATOM 0 HA TRP A 130 -7.973 9.307 5.030 1.00 74.05 H new ATOM 0 HB2 TRP A 130 -4.943 9.383 5.025 1.00 73.31 H new ATOM 0 HB3 TRP A 130 -5.979 9.677 3.643 1.00 73.31 H new ATOM 0 HD1 TRP A 130 -4.068 11.601 5.971 1.00 3.21 H new ATOM 0 HE1 TRP A 130 -4.994 13.948 6.439 1.00 3.52 H new ATOM 0 HE3 TRP A 130 -8.749 11.034 3.977 1.00 11.43 H new ATOM 0 HZ2 TRP A 130 -7.372 15.421 5.872 1.00 2.20 H new ATOM 0 HZ3 TRP A 130 -10.254 12.992 3.793 1.00 12.40 H new ATOM 0 HH2 TRP A 130 -9.539 15.201 4.668 1.00 61.15 H new ATOM 1887 N ALA A 131 -7.421 6.498 5.753 1.00 51.12 N ATOM 1888 CA ALA A 131 -7.534 5.092 5.394 1.00 40.31 C ATOM 1889 C ALA A 131 -8.456 4.308 6.331 1.00 21.33 C ATOM 1890 O ALA A 131 -8.332 3.087 6.403 1.00 74.04 O ATOM 1891 CB ALA A 131 -6.147 4.438 5.342 1.00 23.33 C ATOM 0 H ALA A 131 -7.681 6.690 6.720 1.00 51.12 H new ATOM 0 HA ALA A 131 -7.989 5.059 4.404 1.00 40.31 H new ATOM 0 HB1 ALA A 131 -6.250 3.387 5.072 1.00 23.33 H new ATOM 0 HB2 ALA A 131 -5.533 4.945 4.598 1.00 23.33 H new ATOM 0 HB3 ALA A 131 -5.671 4.517 6.319 1.00 23.33 H new ATOM 1897 N ASP A 132 -9.368 4.949 7.061 1.00 14.31 N ATOM 1898 CA ASP A 132 -10.310 4.193 7.880 1.00 33.02 C ATOM 1899 C ASP A 132 -11.291 3.483 6.939 1.00 72.32 C ATOM 1900 O ASP A 132 -12.116 4.161 6.317 1.00 14.41 O ATOM 1901 CB ASP A 132 -11.012 5.098 8.894 1.00 60.04 C ATOM 1902 CG ASP A 132 -11.574 4.237 10.016 1.00 71.34 C ATOM 1903 OD1 ASP A 132 -10.811 3.914 10.953 1.00 62.04 O ATOM 1904 OD2 ASP A 132 -12.752 3.812 9.932 1.00 55.54 O ATOM 0 H ASP A 132 -9.473 5.963 7.102 1.00 14.31 H new ATOM 0 HA ASP A 132 -9.785 3.444 8.473 1.00 33.02 H new ATOM 0 HB2 ASP A 132 -10.311 5.830 9.295 1.00 60.04 H new ATOM 0 HB3 ASP A 132 -11.813 5.656 8.410 1.00 60.04 H new ATOM 1908 N GLY A 133 -11.123 2.172 6.730 1.00 35.03 N ATOM 1909 CA GLY A 133 -11.794 1.419 5.669 1.00 11.13 C ATOM 1910 C GLY A 133 -11.374 -0.055 5.553 1.00 15.22 C ATOM 1911 O GLY A 133 -12.119 -0.944 5.978 1.00 21.31 O ATOM 0 H GLY A 133 -10.506 1.597 7.304 1.00 35.03 H new ATOM 0 HA2 GLY A 133 -12.870 1.462 5.838 1.00 11.13 H new ATOM 0 HA3 GLY A 133 -11.601 1.912 4.716 1.00 11.13 H new ATOM 1915 N LEU A 134 -10.239 -0.343 4.904 1.00 2.20 N ATOM 1916 CA LEU A 134 -9.760 -1.705 4.644 1.00 60.33 C ATOM 1917 C LEU A 134 -9.028 -2.227 5.891 1.00 44.14 C ATOM 1918 O LEU A 134 -8.514 -1.454 6.704 1.00 31.43 O ATOM 1919 CB LEU A 134 -8.800 -1.767 3.428 1.00 62.12 C ATOM 1920 CG LEU A 134 -9.330 -1.526 1.997 1.00 3.21 C ATOM 1921 CD1 LEU A 134 -10.311 -2.604 1.524 1.00 74.03 C ATOM 1922 CD2 LEU A 134 -9.919 -0.125 1.785 1.00 24.21 C ATOM 0 H LEU A 134 -9.617 0.378 4.538 1.00 2.20 H new ATOM 0 HA LEU A 134 -10.627 -2.324 4.414 1.00 60.33 H new ATOM 0 HB2 LEU A 134 -8.009 -1.038 3.605 1.00 62.12 H new ATOM 0 HB3 LEU A 134 -8.333 -2.752 3.437 1.00 62.12 H new ATOM 0 HG LEU A 134 -8.441 -1.596 1.371 1.00 3.21 H new ATOM 0 HD11 LEU A 134 -10.644 -2.374 0.512 1.00 74.03 H new ATOM 0 HD12 LEU A 134 -9.816 -3.575 1.531 1.00 74.03 H new ATOM 0 HD13 LEU A 134 -11.172 -2.631 2.192 1.00 74.03 H new ATOM 0 HD21 LEU A 134 -10.270 -0.030 0.758 1.00 24.21 H new ATOM 0 HD22 LEU A 134 -10.754 0.026 2.470 1.00 24.21 H new ATOM 0 HD23 LEU A 134 -9.152 0.625 1.977 1.00 24.21 H new ATOM 1933 N ASN A 135 -8.911 -3.549 6.015 1.00 23.12 N ATOM 1934 CA ASN A 135 -8.199 -4.217 7.104 1.00 23.02 C ATOM 1935 C ASN A 135 -6.681 -4.055 6.983 1.00 34.22 C ATOM 1936 O ASN A 135 -6.061 -4.706 6.138 1.00 20.30 O ATOM 1937 CB ASN A 135 -8.561 -5.703 7.120 1.00 32.42 C ATOM 1938 CG ASN A 135 -7.588 -6.522 7.961 1.00 52.15 C ATOM 1939 OD1 ASN A 135 -7.360 -6.247 9.133 1.00 60.15 O ATOM 1940 ND2 ASN A 135 -7.001 -7.547 7.379 1.00 53.53 N ATOM 0 H ASN A 135 -9.319 -4.201 5.345 1.00 23.12 H new ATOM 0 HA ASN A 135 -8.507 -3.747 8.038 1.00 23.02 H new ATOM 0 HB2 ASN A 135 -9.570 -5.825 7.513 1.00 32.42 H new ATOM 0 HB3 ASN A 135 -8.567 -6.085 6.099 1.00 32.42 H new ATOM 0 HD21 ASN A 135 -6.346 -8.125 7.905 1.00 53.53 H new ATOM 0 HD22 ASN A 135 -7.202 -7.763 6.402 1.00 53.53 H new ATOM 1946 N VAL A 136 -6.066 -3.249 7.850 1.00 53.41 N ATOM 1947 CA VAL A 136 -4.616 -3.130 7.930 1.00 24.30 C ATOM 1948 C VAL A 136 -4.072 -4.028 9.035 1.00 41.31 C ATOM 1949 O VAL A 136 -4.447 -3.920 10.203 1.00 33.20 O ATOM 1950 CB VAL A 136 -4.168 -1.659 8.027 1.00 24.31 C ATOM 1951 CG1 VAL A 136 -4.867 -0.886 9.137 1.00 13.30 C ATOM 1952 CG2 VAL A 136 -2.657 -1.501 8.221 1.00 20.23 C ATOM 0 H VAL A 136 -6.565 -2.660 8.517 1.00 53.41 H new ATOM 0 HA VAL A 136 -4.175 -3.490 7.000 1.00 24.30 H new ATOM 0 HB VAL A 136 -4.456 -1.241 7.063 1.00 24.31 H new ATOM 0 HG11 VAL A 136 -4.504 0.142 9.149 1.00 13.30 H new ATOM 0 HG12 VAL A 136 -5.943 -0.889 8.961 1.00 13.30 H new ATOM 0 HG13 VAL A 136 -4.655 -1.356 10.097 1.00 13.30 H new ATOM 0 HG21 VAL A 136 -2.407 -0.442 8.282 1.00 20.23 H new ATOM 0 HG22 VAL A 136 -2.354 -1.999 9.142 1.00 20.23 H new ATOM 0 HG23 VAL A 136 -2.133 -1.950 7.377 1.00 20.23 H new ATOM 1962 N ILE A 137 -3.143 -4.904 8.659 1.00 15.52 N ATOM 1963 CA ILE A 137 -2.438 -5.786 9.593 1.00 74.13 C ATOM 1964 C ILE A 137 -1.232 -5.117 10.283 1.00 33.31 C ATOM 1965 O ILE A 137 -0.682 -5.685 11.231 1.00 40.14 O ATOM 1966 CB ILE A 137 -2.033 -7.100 8.897 1.00 32.03 C ATOM 1967 CG1 ILE A 137 -1.237 -6.835 7.604 1.00 43.33 C ATOM 1968 CG2 ILE A 137 -3.292 -7.940 8.638 1.00 43.34 C ATOM 1969 CD1 ILE A 137 -0.501 -8.067 7.083 1.00 4.24 C ATOM 0 H ILE A 137 -2.854 -5.025 7.688 1.00 15.52 H new ATOM 0 HA ILE A 137 -3.141 -6.014 10.394 1.00 74.13 H new ATOM 0 HB ILE A 137 -1.367 -7.662 9.551 1.00 32.03 H new ATOM 0 HG12 ILE A 137 -1.919 -6.475 6.833 1.00 43.33 H new ATOM 0 HG13 ILE A 137 -0.515 -6.040 7.787 1.00 43.33 H new ATOM 0 HG21 ILE A 137 -3.013 -8.872 8.146 1.00 43.34 H new ATOM 0 HG22 ILE A 137 -3.782 -8.163 9.586 1.00 43.34 H new ATOM 0 HG23 ILE A 137 -3.976 -7.382 7.998 1.00 43.34 H new ATOM 0 HD11 ILE A 137 0.038 -7.810 6.171 1.00 4.24 H new ATOM 0 HD12 ILE A 137 0.205 -8.415 7.837 1.00 4.24 H new ATOM 0 HD13 ILE A 137 -1.221 -8.857 6.868 1.00 4.24 H new ATOM 1980 N GLY A 138 -0.825 -3.919 9.846 1.00 15.51 N ATOM 1981 CA GLY A 138 0.231 -3.155 10.491 1.00 51.10 C ATOM 1982 C GLY A 138 0.660 -1.953 9.656 1.00 14.21 C ATOM 1983 O GLY A 138 0.471 -1.940 8.437 1.00 23.03 O ATOM 0 H GLY A 138 -1.226 -3.457 9.030 1.00 15.51 H new ATOM 0 HA2 GLY A 138 -0.113 -2.814 11.467 1.00 51.10 H new ATOM 0 HA3 GLY A 138 1.091 -3.801 10.665 1.00 51.10 H new ATOM 1987 N VAL A 139 1.290 -0.970 10.304 1.00 74.13 N ATOM 1988 CA VAL A 139 1.795 0.272 9.710 1.00 75.43 C ATOM 1989 C VAL A 139 3.197 0.487 10.291 1.00 44.22 C ATOM 1990 O VAL A 139 3.326 0.892 11.450 1.00 24.22 O ATOM 1991 CB VAL A 139 0.828 1.461 9.956 1.00 1.21 C ATOM 1992 CG1 VAL A 139 1.347 2.750 9.310 1.00 32.35 C ATOM 1993 CG2 VAL A 139 -0.574 1.202 9.388 1.00 73.41 C ATOM 0 H VAL A 139 1.471 -1.020 11.307 1.00 74.13 H new ATOM 0 HA VAL A 139 1.856 0.204 8.624 1.00 75.43 H new ATOM 0 HB VAL A 139 0.773 1.568 11.039 1.00 1.21 H new ATOM 0 HG11 VAL A 139 0.645 3.561 9.502 1.00 32.35 H new ATOM 0 HG12 VAL A 139 2.319 3.003 9.733 1.00 32.35 H new ATOM 0 HG13 VAL A 139 1.446 2.603 8.234 1.00 32.35 H new ATOM 0 HG21 VAL A 139 -1.212 2.063 9.586 1.00 73.41 H new ATOM 0 HG22 VAL A 139 -0.507 1.040 8.312 1.00 73.41 H new ATOM 0 HG23 VAL A 139 -1.001 0.318 9.862 1.00 73.41 H new ATOM 2003 N ALA A 140 4.252 0.175 9.536 1.00 75.13 N ATOM 2004 CA ALA A 140 5.651 0.416 9.925 1.00 13.23 C ATOM 2005 C ALA A 140 6.397 1.081 8.766 1.00 54.20 C ATOM 2006 O ALA A 140 5.759 1.413 7.765 1.00 53.30 O ATOM 2007 CB ALA A 140 6.319 -0.872 10.430 1.00 42.32 C ATOM 0 H ALA A 140 4.161 -0.261 8.618 1.00 75.13 H new ATOM 0 HA ALA A 140 5.685 1.106 10.768 1.00 13.23 H new ATOM 0 HB1 ALA A 140 7.351 -0.661 10.709 1.00 42.32 H new ATOM 0 HB2 ALA A 140 5.777 -1.246 11.299 1.00 42.32 H new ATOM 0 HB3 ALA A 140 6.303 -1.624 9.641 1.00 42.32 H new ATOM 2013 N ARG A 141 7.691 1.387 8.898 1.00 20.45 N ATOM 2014 CA ARG A 141 8.486 1.915 7.795 1.00 41.12 C ATOM 2015 C ARG A 141 9.552 0.912 7.363 1.00 43.31 C ATOM 2016 O ARG A 141 9.952 0.059 8.166 1.00 12.21 O ATOM 2017 CB ARG A 141 9.075 3.260 8.231 1.00 75.32 C ATOM 2018 CG ARG A 141 10.268 3.104 9.190 1.00 15.41 C ATOM 2019 CD ARG A 141 10.264 4.194 10.258 1.00 64.22 C ATOM 2020 NE ARG A 141 11.648 4.508 10.658 1.00 12.34 N ATOM 2021 CZ ARG A 141 12.274 4.013 11.732 1.00 51.10 C ATOM 2022 NH1 ARG A 141 11.613 3.487 12.754 1.00 51.31 N ATOM 2023 NH2 ARG A 141 13.594 4.041 11.806 1.00 33.15 N ATOM 0 H ARG A 141 8.211 1.275 9.769 1.00 20.45 H new ATOM 0 HA ARG A 141 7.862 2.079 6.916 1.00 41.12 H new ATOM 0 HB2 ARG A 141 9.394 3.815 7.349 1.00 75.32 H new ATOM 0 HB3 ARG A 141 8.299 3.851 8.717 1.00 75.32 H new ATOM 0 HG2 ARG A 141 10.229 2.124 9.666 1.00 15.41 H new ATOM 0 HG3 ARG A 141 11.200 3.147 8.626 1.00 15.41 H new ATOM 0 HD2 ARG A 141 9.775 5.089 9.875 1.00 64.22 H new ATOM 0 HD3 ARG A 141 9.691 3.864 11.125 1.00 64.22 H new ATOM 0 HE ARG A 141 12.171 5.155 10.068 1.00 12.34 H new ATOM 0 HH11 ARG A 141 10.594 3.450 12.738 1.00 51.31 H new ATOM 0 HH12 ARG A 141 12.124 3.119 13.557 1.00 51.31 H new ATOM 0 HH21 ARG A 141 14.139 4.441 11.042 1.00 33.15 H new ATOM 0 HH22 ARG A 141 14.067 3.663 12.627 1.00 33.15 H new ATOM 2034 N ASP A 142 10.057 1.103 6.146 1.00 63.40 N ATOM 2035 CA ASP A 142 11.068 0.260 5.498 1.00 14.35 C ATOM 2036 C ASP A 142 10.615 -1.224 5.524 1.00 13.14 C ATOM 2037 O ASP A 142 9.424 -1.514 5.666 1.00 15.21 O ATOM 2038 CB ASP A 142 12.483 0.503 6.092 1.00 71.10 C ATOM 2039 CG ASP A 142 13.119 1.892 5.881 1.00 20.32 C ATOM 2040 OD1 ASP A 142 12.846 2.587 4.877 1.00 72.11 O ATOM 2041 OD2 ASP A 142 13.997 2.249 6.715 1.00 74.44 O ATOM 0 H ASP A 142 9.762 1.882 5.557 1.00 63.40 H new ATOM 0 HA ASP A 142 11.156 0.541 4.449 1.00 14.35 H new ATOM 0 HB2 ASP A 142 12.433 0.316 7.165 1.00 71.10 H new ATOM 0 HB3 ASP A 142 13.157 -0.242 5.670 1.00 71.10 H new ATOM 2045 N ASP A 143 11.536 -2.174 5.331 1.00 12.15 N ATOM 2046 CA ASP A 143 11.316 -3.632 5.293 1.00 42.11 C ATOM 2047 C ASP A 143 11.286 -4.264 6.691 1.00 64.44 C ATOM 2048 O ASP A 143 11.039 -5.459 6.821 1.00 62.22 O ATOM 2049 CB ASP A 143 12.352 -4.327 4.377 1.00 21.34 C ATOM 2050 CG ASP A 143 13.810 -4.248 4.833 1.00 22.15 C ATOM 2051 OD1 ASP A 143 14.094 -3.805 5.967 1.00 13.11 O ATOM 2052 OD2 ASP A 143 14.731 -4.507 4.030 1.00 24.03 O ATOM 0 H ASP A 143 12.517 -1.935 5.188 1.00 12.15 H new ATOM 0 HA ASP A 143 10.326 -3.790 4.866 1.00 42.11 H new ATOM 0 HB2 ASP A 143 12.078 -5.378 4.284 1.00 21.34 H new ATOM 0 HB3 ASP A 143 12.279 -3.889 3.382 1.00 21.34 H new ATOM 2056 N SER A 144 11.483 -3.500 7.766 1.00 63.11 N ATOM 2057 CA SER A 144 11.685 -4.071 9.095 1.00 24.22 C ATOM 2058 C SER A 144 10.418 -4.670 9.747 1.00 15.34 C ATOM 2059 O SER A 144 10.464 -4.983 10.936 1.00 12.55 O ATOM 2060 CB SER A 144 12.406 -3.053 9.994 1.00 44.24 C ATOM 2061 OG SER A 144 13.528 -3.639 10.623 1.00 20.01 O ATOM 0 H SER A 144 11.507 -2.481 7.740 1.00 63.11 H new ATOM 0 HA SER A 144 12.326 -4.943 8.968 1.00 24.22 H new ATOM 0 HB2 SER A 144 12.724 -2.197 9.398 1.00 44.24 H new ATOM 0 HB3 SER A 144 11.716 -2.677 10.749 1.00 44.24 H new ATOM 0 HG SER A 144 13.971 -2.972 11.188 1.00 20.01 H new ATOM 2066 N GLU A 145 9.301 -4.855 9.026 1.00 71.22 N ATOM 2067 CA GLU A 145 8.229 -5.779 9.425 1.00 71.20 C ATOM 2068 C GLU A 145 7.740 -6.670 8.262 1.00 53.34 C ATOM 2069 O GLU A 145 6.703 -7.319 8.393 1.00 41.12 O ATOM 2070 CB GLU A 145 7.055 -5.049 10.106 1.00 4.51 C ATOM 2071 CG GLU A 145 7.436 -4.267 11.376 1.00 41.22 C ATOM 2072 CD GLU A 145 6.241 -3.822 12.222 1.00 44.13 C ATOM 2073 OE1 GLU A 145 5.142 -4.397 12.117 1.00 0.53 O ATOM 2074 OE2 GLU A 145 6.397 -2.957 13.112 1.00 40.12 O ATOM 0 H GLU A 145 9.116 -4.367 8.149 1.00 71.22 H new ATOM 0 HA GLU A 145 8.673 -6.446 10.164 1.00 71.20 H new ATOM 0 HB2 GLU A 145 6.610 -4.358 9.390 1.00 4.51 H new ATOM 0 HB3 GLU A 145 6.289 -5.781 10.362 1.00 4.51 H new ATOM 0 HG2 GLU A 145 8.089 -4.888 11.989 1.00 41.22 H new ATOM 0 HG3 GLU A 145 8.011 -3.387 11.088 1.00 41.22 H new ATOM 2079 N VAL A 146 8.453 -6.764 7.127 1.00 3.33 N ATOM 2080 CA VAL A 146 8.000 -7.581 5.996 1.00 20.32 C ATOM 2081 C VAL A 146 7.663 -9.016 6.383 1.00 71.42 C ATOM 2082 O VAL A 146 6.638 -9.538 5.944 1.00 52.20 O ATOM 2083 CB VAL A 146 8.996 -7.487 4.815 1.00 32.12 C ATOM 2084 CG1 VAL A 146 10.409 -7.960 5.145 1.00 43.12 C ATOM 2085 CG2 VAL A 146 8.593 -8.279 3.566 1.00 62.10 C ATOM 0 H VAL A 146 9.340 -6.286 6.972 1.00 3.33 H new ATOM 0 HA VAL A 146 7.053 -7.161 5.657 1.00 20.32 H new ATOM 0 HB VAL A 146 8.973 -6.415 4.616 1.00 32.12 H new ATOM 0 HG11 VAL A 146 11.041 -7.860 4.263 1.00 43.12 H new ATOM 0 HG12 VAL A 146 10.816 -7.353 5.954 1.00 43.12 H new ATOM 0 HG13 VAL A 146 10.380 -9.005 5.454 1.00 43.12 H new ATOM 0 HG21 VAL A 146 9.352 -8.152 2.794 1.00 62.10 H new ATOM 0 HG22 VAL A 146 8.505 -9.336 3.818 1.00 62.10 H new ATOM 0 HG23 VAL A 146 7.635 -7.913 3.197 1.00 62.10 H new ATOM 2095 N ASP A 147 8.480 -9.617 7.244 1.00 13.14 N ATOM 2096 CA ASP A 147 8.435 -11.046 7.507 1.00 52.24 C ATOM 2097 C ASP A 147 7.163 -11.468 8.228 1.00 60.10 C ATOM 2098 O ASP A 147 6.799 -12.634 8.161 1.00 63.34 O ATOM 2099 CB ASP A 147 9.664 -11.485 8.307 1.00 51.51 C ATOM 2100 CG ASP A 147 9.642 -12.997 8.557 1.00 3.11 C ATOM 2101 OD1 ASP A 147 9.792 -13.754 7.572 1.00 3.35 O ATOM 2102 OD2 ASP A 147 9.442 -13.405 9.728 1.00 52.20 O ATOM 0 H ASP A 147 9.193 -9.122 7.779 1.00 13.14 H new ATOM 0 HA ASP A 147 8.437 -11.544 6.537 1.00 52.24 H new ATOM 0 HB2 ASP A 147 10.571 -11.215 7.766 1.00 51.51 H new ATOM 0 HB3 ASP A 147 9.691 -10.955 9.259 1.00 51.51 H new ATOM 2106 N LYS A 148 6.449 -10.544 8.881 1.00 72.02 N ATOM 2107 CA LYS A 148 5.153 -10.884 9.473 1.00 20.44 C ATOM 2108 C LYS A 148 4.036 -10.643 8.485 1.00 15.14 C ATOM 2109 O LYS A 148 3.002 -11.306 8.598 1.00 35.22 O ATOM 2110 CB LYS A 148 4.888 -10.095 10.774 1.00 24.13 C ATOM 2111 CG LYS A 148 5.076 -8.583 10.622 1.00 3.23 C ATOM 2112 CD LYS A 148 4.562 -7.768 11.807 1.00 41.32 C ATOM 2113 CE LYS A 148 5.629 -7.655 12.895 1.00 74.33 C ATOM 2114 NZ LYS A 148 5.301 -6.560 13.820 1.00 12.42 N ATOM 0 H LYS A 148 6.740 -9.575 9.011 1.00 72.02 H new ATOM 0 HA LYS A 148 5.184 -11.944 9.726 1.00 20.44 H new ATOM 0 HB2 LYS A 148 3.870 -10.294 11.109 1.00 24.13 H new ATOM 0 HB3 LYS A 148 5.557 -10.460 11.553 1.00 24.13 H new ATOM 0 HG2 LYS A 148 6.136 -8.372 10.482 1.00 3.23 H new ATOM 0 HG3 LYS A 148 4.563 -8.253 9.718 1.00 3.23 H new ATOM 0 HD2 LYS A 148 4.273 -6.772 11.471 1.00 41.32 H new ATOM 0 HD3 LYS A 148 3.668 -8.238 12.216 1.00 41.32 H new ATOM 0 HE2 LYS A 148 5.700 -8.594 13.443 1.00 74.33 H new ATOM 0 HE3 LYS A 148 6.604 -7.477 12.441 1.00 74.33 H new ATOM 0 HZ1 LYS A 148 6.138 -6.326 14.392 1.00 12.42 H new ATOM 0 HZ2 LYS A 148 5.008 -5.723 13.277 1.00 12.42 H new ATOM 0 HZ3 LYS A 148 4.525 -6.855 14.447 1.00 12.42 H new ATOM 2124 N TRP A 149 4.181 -9.682 7.574 1.00 41.23 N ATOM 2125 CA TRP A 149 3.019 -9.255 6.812 1.00 64.14 C ATOM 2126 C TRP A 149 2.707 -10.207 5.660 1.00 31.32 C ATOM 2127 O TRP A 149 1.563 -10.227 5.216 1.00 20.21 O ATOM 2128 CB TRP A 149 3.152 -7.799 6.370 1.00 55.31 C ATOM 2129 CG TRP A 149 3.157 -6.763 7.451 1.00 12.44 C ATOM 2130 CD1 TRP A 149 2.583 -6.843 8.675 1.00 4.33 C ATOM 2131 CD2 TRP A 149 3.806 -5.465 7.399 1.00 44.30 C ATOM 2132 NE1 TRP A 149 2.886 -5.706 9.396 1.00 64.41 N ATOM 2133 CE2 TRP A 149 3.610 -4.805 8.644 1.00 22.04 C ATOM 2134 CE3 TRP A 149 4.551 -4.790 6.414 1.00 4.42 C ATOM 2135 CZ2 TRP A 149 4.130 -3.528 8.901 1.00 61.32 C ATOM 2136 CZ3 TRP A 149 5.095 -3.522 6.665 1.00 75.40 C ATOM 2137 CH2 TRP A 149 4.894 -2.896 7.903 1.00 52.11 C ATOM 0 H TRP A 149 5.055 -9.204 7.354 1.00 41.23 H new ATOM 0 HA TRP A 149 2.153 -9.301 7.472 1.00 64.14 H new ATOM 0 HB2 TRP A 149 4.076 -7.700 5.800 1.00 55.31 H new ATOM 0 HB3 TRP A 149 2.332 -7.575 5.688 1.00 55.31 H new ATOM 0 HD1 TRP A 149 1.983 -7.667 9.031 1.00 4.33 H new ATOM 0 HE1 TRP A 149 2.609 -5.551 10.365 1.00 64.41 H new ATOM 0 HE3 TRP A 149 4.706 -5.255 5.452 1.00 4.42 H new ATOM 0 HZ2 TRP A 149 3.947 -3.039 9.847 1.00 61.32 H new ATOM 0 HZ3 TRP A 149 5.672 -3.025 5.900 1.00 75.40 H new ATOM 0 HH2 TRP A 149 5.327 -1.925 8.091 1.00 52.11 H new ATOM 2147 N SER A 150 3.649 -11.049 5.225 1.00 71.21 N ATOM 2148 CA SER A 150 3.448 -11.950 4.090 1.00 74.10 C ATOM 2149 C SER A 150 3.775 -13.392 4.514 1.00 41.14 C ATOM 2150 O SER A 150 4.719 -14.035 4.033 1.00 60.21 O ATOM 2151 CB SER A 150 4.234 -11.419 2.883 1.00 22.24 C ATOM 2152 OG SER A 150 3.384 -11.242 1.773 1.00 1.44 O ATOM 0 H SER A 150 4.573 -11.124 5.651 1.00 71.21 H new ATOM 0 HA SER A 150 2.407 -11.979 3.770 1.00 74.10 H new ATOM 0 HB2 SER A 150 4.707 -10.471 3.140 1.00 22.24 H new ATOM 0 HB3 SER A 150 5.033 -12.115 2.628 1.00 22.24 H new ATOM 0 HG SER A 150 3.269 -10.285 1.598 1.00 1.44 H new ATOM 2157 N LYS A 151 3.009 -13.876 5.493 1.00 4.41 N ATOM 2158 CA LYS A 151 3.056 -15.234 6.014 1.00 32.25 C ATOM 2159 C LYS A 151 1.791 -15.958 5.606 1.00 43.43 C ATOM 2160 O LYS A 151 0.694 -15.527 6.018 1.00 14.54 O ATOM 2161 CB LYS A 151 3.209 -15.185 7.528 1.00 60.30 C ATOM 2162 CG LYS A 151 4.453 -14.421 7.969 1.00 3.51 C ATOM 2163 CD LYS A 151 4.691 -14.652 9.457 1.00 33.03 C ATOM 2164 CE LYS A 151 3.552 -14.118 10.336 1.00 4.21 C ATOM 2165 NZ LYS A 151 3.643 -14.655 11.702 1.00 34.44 N ATOM 0 H LYS A 151 2.309 -13.302 5.962 1.00 4.41 H new ATOM 0 HA LYS A 151 3.910 -15.776 5.606 1.00 32.25 H new ATOM 0 HB2 LYS A 151 2.326 -14.716 7.963 1.00 60.30 H new ATOM 0 HB3 LYS A 151 3.255 -16.202 7.918 1.00 60.30 H new ATOM 0 HG2 LYS A 151 5.319 -14.753 7.396 1.00 3.51 H new ATOM 0 HG3 LYS A 151 4.328 -13.356 7.771 1.00 3.51 H new ATOM 0 HD2 LYS A 151 4.813 -15.720 9.638 1.00 33.03 H new ATOM 0 HD3 LYS A 151 5.624 -14.171 9.749 1.00 33.03 H new ATOM 0 HE2 LYS A 151 3.591 -13.029 10.366 1.00 4.21 H new ATOM 0 HE3 LYS A 151 2.592 -14.390 9.898 1.00 4.21 H new ATOM 0 HZ1 LYS A 151 2.862 -14.279 12.276 1.00 34.44 H new ATOM 0 HZ2 LYS A 151 3.582 -15.693 11.672 1.00 34.44 H new ATOM 0 HZ3 LYS A 151 4.550 -14.374 12.126 1.00 34.44 H new TER 2175 LYS A 151