USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 867 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 76 MET CE :methyl -111:sc= -0.0617 (180deg=-0.931) USER MOD Set 1.2: A 83 SER OG : rot 170:sc= -0.987 USER MOD Set 2.1: A 27 HIS : no HD1:sc= -6.5! C(o=-7.9!,f=-10!) USER MOD Set 2.2: A 49 ASN : amide:sc= -1.39 K(o=-7.9,f=-9.7!) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-2.1!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 10:sc= -1.85! USER MOD Single : A 42 THR OG1 : rot 129:sc= 1.3 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -5.31! C(o=-5.3!,f=-12!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 60 GLN : amide:sc= -1.32 K(o=-1.3,f=-0.71) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot -110:sc= -2.68! USER MOD Single : A 79 ASN : amide:sc= -0.626 K(o=-0.63,f=-4.1!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 150:sc= -0.353 USER MOD Single : A 87 TYR OH : rot 180:sc= -1.47 USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.147 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0356 USER MOD Single : A 93 SER OG : rot -170:sc= -0.177 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 96:sc= 0.48 USER MOD Single : A 101 ASN : amide:sc= -1.2 K(o=-1.2,f=-4.8!) USER MOD Single : A 103 LYS NZ :NH3+ -160:sc= -0.111 (180deg=-0.574) USER MOD Single : A 111 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.0098) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -0.0555 X(o=-0.056,f=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 18 -24.956 8.492 19.081 1.00 0.00 N ATOM 2 CA GLY A 18 -23.944 7.512 18.730 1.00 0.00 C ATOM 3 C GLY A 18 -23.322 7.782 17.374 1.00 0.00 C ATOM 4 O GLY A 18 -23.813 7.304 16.352 1.00 0.00 O ATOM 0 HA2 GLY A 18 -23.163 7.512 19.491 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -24.390 6.517 18.730 1.00 0.00 H new ATOM 8 N SER A 19 -22.238 8.551 17.366 1.00 0.00 N ATOM 9 CA SER A 19 -21.550 8.888 16.125 1.00 0.00 C ATOM 10 C SER A 19 -21.079 7.629 15.405 1.00 0.00 C ATOM 11 O SER A 19 -20.591 6.687 16.032 1.00 0.00 O ATOM 12 CB SER A 19 -20.357 9.802 16.412 1.00 0.00 C ATOM 13 OG SER A 19 -19.731 10.215 15.208 1.00 0.00 O ATOM 0 H SER A 19 -21.817 8.952 18.204 1.00 0.00 H new ATOM 0 HA SER A 19 -22.254 9.412 15.479 1.00 0.00 H new ATOM 0 HB2 SER A 19 -20.691 10.676 16.971 1.00 0.00 H new ATOM 0 HB3 SER A 19 -19.636 9.278 17.040 1.00 0.00 H new ATOM 0 HG SER A 19 -18.973 10.799 15.417 1.00 0.00 H new ATOM 19 N SER A 20 -21.228 7.619 14.085 1.00 0.00 N ATOM 20 CA SER A 20 -20.822 6.473 13.278 1.00 0.00 C ATOM 21 C SER A 20 -19.809 6.890 12.215 1.00 0.00 C ATOM 22 O SER A 20 -20.176 7.415 11.166 1.00 0.00 O ATOM 23 CB SER A 20 -22.042 5.832 12.613 1.00 0.00 C ATOM 24 OG SER A 20 -22.907 5.260 13.579 1.00 0.00 O ATOM 0 H SER A 20 -21.627 8.391 13.551 1.00 0.00 H new ATOM 0 HA SER A 20 -20.352 5.743 13.937 1.00 0.00 H new ATOM 0 HB2 SER A 20 -22.582 6.583 12.036 1.00 0.00 H new ATOM 0 HB3 SER A 20 -21.716 5.064 11.912 1.00 0.00 H new ATOM 0 HG SER A 20 -23.680 4.858 13.129 1.00 0.00 H new ATOM 30 N GLY A 21 -18.532 6.648 12.497 1.00 0.00 N ATOM 31 CA GLY A 21 -17.486 7.004 11.556 1.00 0.00 C ATOM 32 C GLY A 21 -16.247 7.543 12.244 1.00 0.00 C ATOM 33 O GLY A 21 -16.330 8.098 13.340 1.00 0.00 O ATOM 0 H GLY A 21 -18.204 6.212 13.359 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -17.218 6.127 10.966 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -17.866 7.752 10.860 1.00 0.00 H new ATOM 37 N SER A 22 -15.096 7.380 11.600 1.00 0.00 N ATOM 38 CA SER A 22 -13.833 7.849 12.160 1.00 0.00 C ATOM 39 C SER A 22 -12.824 8.139 11.054 1.00 0.00 C ATOM 40 O SER A 22 -12.562 7.291 10.200 1.00 0.00 O ATOM 41 CB SER A 22 -13.263 6.812 13.129 1.00 0.00 C ATOM 42 OG SER A 22 -12.158 7.337 13.844 1.00 0.00 O ATOM 0 H SER A 22 -15.011 6.927 10.690 1.00 0.00 H new ATOM 0 HA SER A 22 -14.026 8.774 12.703 1.00 0.00 H new ATOM 0 HB2 SER A 22 -14.038 6.499 13.829 1.00 0.00 H new ATOM 0 HB3 SER A 22 -12.955 5.924 12.577 1.00 0.00 H new ATOM 0 HG SER A 22 -11.812 6.656 14.458 1.00 0.00 H new ATOM 48 N SER A 23 -12.259 9.341 11.076 1.00 0.00 N ATOM 49 CA SER A 23 -11.280 9.745 10.074 1.00 0.00 C ATOM 50 C SER A 23 -10.031 8.872 10.151 1.00 0.00 C ATOM 51 O SER A 23 -9.746 8.269 11.184 1.00 0.00 O ATOM 52 CB SER A 23 -10.901 11.215 10.262 1.00 0.00 C ATOM 53 OG SER A 23 -10.315 11.432 11.534 1.00 0.00 O ATOM 0 H SER A 23 -12.462 10.053 11.777 1.00 0.00 H new ATOM 0 HA SER A 23 -11.731 9.617 9.090 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.204 11.517 9.481 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.788 11.839 10.156 1.00 0.00 H new ATOM 0 HG SER A 23 -10.080 12.379 11.629 1.00 0.00 H new ATOM 59 N GLY A 24 -9.289 8.812 9.049 1.00 0.00 N ATOM 60 CA GLY A 24 -8.079 8.011 9.013 1.00 0.00 C ATOM 61 C GLY A 24 -8.350 6.568 8.636 1.00 0.00 C ATOM 62 O GLY A 24 -9.414 6.246 8.108 1.00 0.00 O ATOM 0 H GLY A 24 -9.504 9.303 8.181 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.381 8.445 8.298 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.596 8.044 9.990 1.00 0.00 H new ATOM 66 N ALA A 25 -7.384 5.696 8.905 1.00 0.00 N ATOM 67 CA ALA A 25 -7.523 4.280 8.590 1.00 0.00 C ATOM 68 C ALA A 25 -8.575 3.622 9.477 1.00 0.00 C ATOM 69 O ALA A 25 -9.128 4.254 10.376 1.00 0.00 O ATOM 70 CB ALA A 25 -6.186 3.571 8.741 1.00 0.00 C ATOM 0 H ALA A 25 -6.496 5.946 9.341 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.852 4.194 7.554 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.306 2.514 8.502 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.459 4.016 8.062 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.834 3.674 9.767 1.00 0.00 H new ATOM 76 N LYS A 26 -8.848 2.348 9.217 1.00 0.00 N ATOM 77 CA LYS A 26 -9.834 1.602 9.991 1.00 0.00 C ATOM 78 C LYS A 26 -9.350 1.384 11.421 1.00 0.00 C ATOM 79 O LYS A 26 -10.144 1.385 12.362 1.00 0.00 O ATOM 80 CB LYS A 26 -10.120 0.254 9.326 1.00 0.00 C ATOM 81 CG LYS A 26 -11.375 -0.426 9.846 1.00 0.00 C ATOM 82 CD LYS A 26 -11.080 -1.293 11.059 1.00 0.00 C ATOM 83 CE LYS A 26 -12.350 -1.640 11.818 1.00 0.00 C ATOM 84 NZ LYS A 26 -12.084 -2.576 12.946 1.00 0.00 N ATOM 0 H LYS A 26 -8.400 1.810 8.475 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.754 2.186 10.023 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.216 0.402 8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.267 -0.407 9.482 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.116 0.329 10.109 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.811 -1.039 9.057 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -10.584 -2.210 10.740 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.390 -0.771 11.722 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.804 -0.727 12.203 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -13.070 -2.090 11.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.975 -2.788 13.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.674 -3.458 12.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -11.417 -2.137 13.612 1.00 0.00 H new ATOM 98 N HIS A 27 -8.043 1.198 11.577 1.00 0.00 N ATOM 99 CA HIS A 27 -7.454 0.981 12.893 1.00 0.00 C ATOM 100 C HIS A 27 -6.647 2.199 13.335 1.00 0.00 C ATOM 101 O HIS A 27 -6.562 3.195 12.616 1.00 0.00 O ATOM 102 CB HIS A 27 -6.559 -0.258 12.877 1.00 0.00 C ATOM 103 CG HIS A 27 -5.869 -0.481 11.567 1.00 0.00 C ATOM 104 ND1 HIS A 27 -4.545 -0.159 11.349 1.00 0.00 N ATOM 105 CD2 HIS A 27 -6.324 -0.999 10.403 1.00 0.00 C ATOM 106 CE1 HIS A 27 -4.218 -0.467 10.108 1.00 0.00 C ATOM 107 NE2 HIS A 27 -5.280 -0.980 9.511 1.00 0.00 N ATOM 0 H HIS A 27 -7.372 1.193 10.809 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.265 0.826 13.605 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -5.809 -0.164 13.662 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.162 -1.135 13.115 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.323 -1.361 10.211 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -3.247 -0.324 9.657 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -5.318 -1.308 8.546 1.00 0.00 H new ATOM 115 N THR A 28 -6.058 2.113 14.524 1.00 0.00 N ATOM 116 CA THR A 28 -5.260 3.208 15.062 1.00 0.00 C ATOM 117 C THR A 28 -3.773 2.883 15.007 1.00 0.00 C ATOM 118 O THR A 28 -3.001 3.309 15.868 1.00 0.00 O ATOM 119 CB THR A 28 -5.652 3.525 16.518 1.00 0.00 C ATOM 120 OG1 THR A 28 -7.075 3.465 16.667 1.00 0.00 O ATOM 121 CG2 THR A 28 -5.152 4.902 16.925 1.00 0.00 C ATOM 0 H THR A 28 -6.119 1.297 15.132 1.00 0.00 H new ATOM 0 HA THR A 28 -5.461 4.081 14.441 1.00 0.00 H new ATOM 0 HB THR A 28 -5.188 2.781 17.166 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.315 3.666 17.596 1.00 0.00 H new ATOM 0 HG21 THR A 28 -5.441 5.104 17.957 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.066 4.935 16.839 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.591 5.656 16.272 1.00 0.00 H new ATOM 129 N LEU A 29 -3.374 2.126 13.991 1.00 0.00 N ATOM 130 CA LEU A 29 -1.976 1.744 13.823 1.00 0.00 C ATOM 131 C LEU A 29 -1.252 2.719 12.900 1.00 0.00 C ATOM 132 O LEU A 29 -0.042 2.920 13.018 1.00 0.00 O ATOM 133 CB LEU A 29 -1.878 0.325 13.262 1.00 0.00 C ATOM 134 CG LEU A 29 -0.620 -0.460 13.635 1.00 0.00 C ATOM 135 CD1 LEU A 29 -0.914 -1.951 13.677 1.00 0.00 C ATOM 136 CD2 LEU A 29 0.504 -0.163 12.653 1.00 0.00 C ATOM 0 H LEU A 29 -3.999 1.764 13.271 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.497 1.775 14.802 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.747 -0.239 13.601 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.938 0.381 12.175 1.00 0.00 H new ATOM 0 HG LEU A 29 -0.300 -0.146 14.629 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.007 -2.493 13.944 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.687 -2.149 14.420 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.259 -2.282 12.697 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.392 -0.730 12.934 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.194 -0.448 11.648 1.00 0.00 H new ATOM 0 HD23 LEU A 29 0.733 0.903 12.673 1.00 0.00 H new ATOM 148 N LEU A 30 -2.000 3.324 11.984 1.00 0.00 N ATOM 149 CA LEU A 30 -1.430 4.281 11.042 1.00 0.00 C ATOM 150 C LEU A 30 -1.048 5.579 11.747 1.00 0.00 C ATOM 151 O LEU A 30 0.057 6.091 11.569 1.00 0.00 O ATOM 152 CB LEU A 30 -2.424 4.573 9.917 1.00 0.00 C ATOM 153 CG LEU A 30 -2.753 3.401 8.991 1.00 0.00 C ATOM 154 CD1 LEU A 30 -1.479 2.793 8.427 1.00 0.00 C ATOM 155 CD2 LEU A 30 -3.567 2.350 9.730 1.00 0.00 C ATOM 0 H LEU A 30 -3.002 3.169 11.873 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.528 3.841 10.617 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.353 4.929 10.363 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.028 5.388 9.312 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.351 3.776 8.160 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.733 1.961 7.771 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.935 3.549 7.861 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.855 2.433 9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.792 1.524 9.056 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.995 1.979 10.581 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.498 2.793 10.084 1.00 0.00 H new ATOM 167 N ARG A 31 -1.968 6.103 12.550 1.00 0.00 N ATOM 168 CA ARG A 31 -1.727 7.340 13.283 1.00 0.00 C ATOM 169 C ARG A 31 -0.473 7.225 14.145 1.00 0.00 C ATOM 170 O ARG A 31 0.341 8.147 14.201 1.00 0.00 O ATOM 171 CB ARG A 31 -2.933 7.681 14.160 1.00 0.00 C ATOM 172 CG ARG A 31 -2.644 8.747 15.205 1.00 0.00 C ATOM 173 CD ARG A 31 -3.925 9.388 15.714 1.00 0.00 C ATOM 174 NE ARG A 31 -3.739 10.024 17.016 1.00 0.00 N ATOM 175 CZ ARG A 31 -3.500 9.350 18.136 1.00 0.00 C ATOM 176 NH1 ARG A 31 -3.421 8.026 18.112 1.00 0.00 N ATOM 177 NH2 ARG A 31 -3.342 9.999 19.282 1.00 0.00 N ATOM 0 H ARG A 31 -2.887 5.690 12.710 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.576 8.140 12.558 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.750 8.020 13.523 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.274 6.776 14.662 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.101 8.303 16.039 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.998 9.513 14.776 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.270 10.130 14.994 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.705 8.630 15.789 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.796 11.041 17.068 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.544 7.524 17.233 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.237 7.510 18.973 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.404 11.017 19.304 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.159 9.480 20.141 1.00 0.00 H new ATOM 191 N HIS A 32 -0.325 6.088 14.817 1.00 0.00 N ATOM 192 CA HIS A 32 0.829 5.852 15.677 1.00 0.00 C ATOM 193 C HIS A 32 2.131 6.066 14.910 1.00 0.00 C ATOM 194 O HIS A 32 3.144 6.457 15.487 1.00 0.00 O ATOM 195 CB HIS A 32 0.787 4.434 16.246 1.00 0.00 C ATOM 196 CG HIS A 32 -0.256 4.245 17.305 1.00 0.00 C ATOM 197 ND1 HIS A 32 -0.922 3.053 17.499 1.00 0.00 N ATOM 198 CD2 HIS A 32 -0.743 5.103 18.231 1.00 0.00 C ATOM 199 CE1 HIS A 32 -1.776 3.188 18.498 1.00 0.00 C ATOM 200 NE2 HIS A 32 -1.687 4.422 18.960 1.00 0.00 N ATOM 0 H HIS A 32 -0.990 5.315 14.783 1.00 0.00 H new ATOM 0 HA HIS A 32 0.790 6.567 16.499 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.601 3.731 15.434 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.764 4.189 16.662 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -0.445 6.132 18.371 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -2.435 2.419 18.873 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.231 4.807 19.732 1.00 0.00 H new ATOM 208 N GLU A 33 2.093 5.808 13.606 1.00 0.00 N ATOM 209 CA GLU A 33 3.271 5.970 12.761 1.00 0.00 C ATOM 210 C GLU A 33 3.407 7.416 12.291 1.00 0.00 C ATOM 211 O GLU A 33 4.458 8.036 12.450 1.00 0.00 O ATOM 212 CB GLU A 33 3.193 5.035 11.553 1.00 0.00 C ATOM 213 CG GLU A 33 2.951 3.581 11.923 1.00 0.00 C ATOM 214 CD GLU A 33 4.133 2.957 12.640 1.00 0.00 C ATOM 215 OE1 GLU A 33 5.177 3.633 12.762 1.00 0.00 O ATOM 216 OE2 GLU A 33 4.015 1.794 13.076 1.00 0.00 O ATOM 0 H GLU A 33 1.260 5.486 13.112 1.00 0.00 H new ATOM 0 HA GLU A 33 4.150 5.713 13.353 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.392 5.372 10.895 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.122 5.107 10.988 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.068 3.514 12.559 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.737 3.011 11.019 1.00 0.00 H new ATOM 223 N GLY A 34 2.335 7.948 11.712 1.00 0.00 N ATOM 224 CA GLY A 34 2.354 9.315 11.227 1.00 0.00 C ATOM 225 C GLY A 34 2.269 9.396 9.716 1.00 0.00 C ATOM 226 O GLY A 34 2.936 10.222 9.092 1.00 0.00 O ATOM 0 H GLY A 34 1.453 7.456 11.570 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.520 9.864 11.665 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.269 9.804 11.563 1.00 0.00 H new ATOM 230 N ILE A 35 1.447 8.534 9.125 1.00 0.00 N ATOM 231 CA ILE A 35 1.276 8.512 7.677 1.00 0.00 C ATOM 232 C ILE A 35 0.126 9.414 7.245 1.00 0.00 C ATOM 233 O ILE A 35 -1.006 9.253 7.700 1.00 0.00 O ATOM 234 CB ILE A 35 1.015 7.084 7.164 1.00 0.00 C ATOM 235 CG1 ILE A 35 2.191 6.169 7.514 1.00 0.00 C ATOM 236 CG2 ILE A 35 0.777 7.096 5.661 1.00 0.00 C ATOM 237 CD1 ILE A 35 1.906 4.702 7.277 1.00 0.00 C ATOM 0 H ILE A 35 0.890 7.842 9.626 1.00 0.00 H new ATOM 0 HA ILE A 35 2.205 8.881 7.243 1.00 0.00 H new ATOM 0 HB ILE A 35 0.120 6.697 7.652 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.058 6.463 6.922 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.455 6.315 8.561 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.594 6.079 5.313 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.089 7.718 5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.655 7.499 5.157 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.783 4.113 7.546 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.059 4.392 7.889 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.671 4.542 6.225 1.00 0.00 H new ATOM 249 N GLU A 36 0.424 10.363 6.362 1.00 0.00 N ATOM 250 CA GLU A 36 -0.587 11.290 5.867 1.00 0.00 C ATOM 251 C GLU A 36 -0.966 10.962 4.426 1.00 0.00 C ATOM 252 O GLU A 36 -0.203 11.219 3.495 1.00 0.00 O ATOM 253 CB GLU A 36 -0.078 12.730 5.957 1.00 0.00 C ATOM 254 CG GLU A 36 0.201 13.190 7.378 1.00 0.00 C ATOM 255 CD GLU A 36 1.159 14.363 7.434 1.00 0.00 C ATOM 256 OE1 GLU A 36 2.190 14.324 6.731 1.00 0.00 O ATOM 257 OE2 GLU A 36 0.876 15.324 8.182 1.00 0.00 O ATOM 0 H GLU A 36 1.356 10.510 5.975 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.475 11.187 6.491 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.835 12.821 5.369 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.815 13.395 5.507 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.738 13.469 7.856 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.615 12.360 7.950 1.00 0.00 H new ATOM 264 N THR A 37 -2.154 10.391 4.249 1.00 0.00 N ATOM 265 CA THR A 37 -2.637 10.026 2.923 1.00 0.00 C ATOM 266 C THR A 37 -3.624 11.059 2.393 1.00 0.00 C ATOM 267 O THR A 37 -4.412 11.624 3.151 1.00 0.00 O ATOM 268 CB THR A 37 -3.314 8.642 2.933 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.496 8.681 3.740 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.364 7.579 3.465 1.00 0.00 C ATOM 0 H THR A 37 -2.799 10.171 5.008 1.00 0.00 H new ATOM 0 HA THR A 37 -1.766 9.991 2.268 1.00 0.00 H new ATOM 0 HB THR A 37 -3.583 8.386 1.908 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.921 7.798 3.740 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.864 6.610 3.463 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.479 7.532 2.831 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.068 7.832 4.483 1.00 0.00 H new ATOM 278 N VAL A 38 -3.577 11.300 1.087 1.00 0.00 N ATOM 279 CA VAL A 38 -4.470 12.265 0.455 1.00 0.00 C ATOM 280 C VAL A 38 -5.799 11.620 0.079 1.00 0.00 C ATOM 281 O VAL A 38 -5.963 10.405 0.188 1.00 0.00 O ATOM 282 CB VAL A 38 -3.833 12.876 -0.807 1.00 0.00 C ATOM 283 CG1 VAL A 38 -2.612 13.706 -0.441 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.467 11.784 -1.801 1.00 0.00 C ATOM 0 H VAL A 38 -2.930 10.841 0.446 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.647 13.056 1.183 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.562 13.535 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.175 14.130 -1.346 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -2.908 14.512 0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.876 13.072 0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.018 12.234 -2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.755 11.098 -1.342 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.365 11.237 -2.087 1.00 0.00 H new ATOM 294 N SER A 39 -6.745 12.441 -0.364 1.00 0.00 N ATOM 295 CA SER A 39 -8.062 11.951 -0.754 1.00 0.00 C ATOM 296 C SER A 39 -8.093 11.598 -2.239 1.00 0.00 C ATOM 297 O SER A 39 -8.537 10.515 -2.621 1.00 0.00 O ATOM 298 CB SER A 39 -9.132 12.999 -0.444 1.00 0.00 C ATOM 299 OG SER A 39 -10.396 12.394 -0.240 1.00 0.00 O ATOM 0 H SER A 39 -6.624 13.449 -0.462 1.00 0.00 H new ATOM 0 HA SER A 39 -8.271 11.048 -0.180 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.847 13.562 0.445 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.195 13.712 -1.266 1.00 0.00 H new ATOM 0 HG SER A 39 -11.062 13.086 -0.042 1.00 0.00 H new ATOM 305 N TYR A 40 -7.621 12.520 -3.069 1.00 0.00 N ATOM 306 CA TYR A 40 -7.596 12.310 -4.511 1.00 0.00 C ATOM 307 C TYR A 40 -6.753 11.090 -4.869 1.00 0.00 C ATOM 308 O TYR A 40 -5.950 10.618 -4.064 1.00 0.00 O ATOM 309 CB TYR A 40 -7.047 13.549 -5.219 1.00 0.00 C ATOM 310 CG TYR A 40 -5.778 14.089 -4.600 1.00 0.00 C ATOM 311 CD1 TYR A 40 -5.824 14.932 -3.496 1.00 0.00 C ATOM 312 CD2 TYR A 40 -4.533 13.755 -5.118 1.00 0.00 C ATOM 313 CE1 TYR A 40 -4.667 15.427 -2.927 1.00 0.00 C ATOM 314 CE2 TYR A 40 -3.370 14.245 -4.554 1.00 0.00 C ATOM 315 CZ TYR A 40 -3.442 15.081 -3.459 1.00 0.00 C ATOM 316 OH TYR A 40 -2.287 15.571 -2.896 1.00 0.00 O ATOM 0 H TYR A 40 -7.250 13.421 -2.768 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.619 12.133 -4.844 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.856 13.305 -6.264 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.807 14.330 -5.208 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.781 15.205 -3.076 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.473 13.102 -5.976 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.721 16.082 -2.070 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.410 13.975 -4.968 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.498 16.011 -2.046 1.00 0.00 H new ATOM 326 N ALA A 41 -6.941 10.586 -6.084 1.00 0.00 N ATOM 327 CA ALA A 41 -6.197 9.422 -6.551 1.00 0.00 C ATOM 328 C ALA A 41 -4.778 9.806 -6.958 1.00 0.00 C ATOM 329 O ALA A 41 -4.575 10.714 -7.763 1.00 0.00 O ATOM 330 CB ALA A 41 -6.922 8.765 -7.717 1.00 0.00 C ATOM 0 H ALA A 41 -7.602 10.965 -6.763 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.132 8.709 -5.729 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.355 7.898 -8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.914 8.448 -7.396 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.016 9.479 -8.535 1.00 0.00 H new ATOM 336 N THR A 42 -3.797 9.108 -6.394 1.00 0.00 N ATOM 337 CA THR A 42 -2.396 9.376 -6.695 1.00 0.00 C ATOM 338 C THR A 42 -1.716 8.147 -7.286 1.00 0.00 C ATOM 339 O THR A 42 -2.232 7.033 -7.188 1.00 0.00 O ATOM 340 CB THR A 42 -1.626 9.821 -5.438 1.00 0.00 C ATOM 341 OG1 THR A 42 -1.685 8.797 -4.440 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.202 11.114 -4.880 1.00 0.00 C ATOM 0 H THR A 42 -3.947 8.352 -5.726 1.00 0.00 H new ATOM 0 HA THR A 42 -2.379 10.184 -7.426 1.00 0.00 H new ATOM 0 HB THR A 42 -0.587 9.996 -5.718 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.779 8.595 -4.124 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.642 11.409 -3.992 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.129 11.899 -5.632 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.248 10.962 -4.615 1.00 0.00 H new ATOM 350 N GLN A 43 -0.554 8.355 -7.897 1.00 0.00 N ATOM 351 CA GLN A 43 0.196 7.262 -8.503 1.00 0.00 C ATOM 352 C GLN A 43 0.816 6.368 -7.434 1.00 0.00 C ATOM 353 O GLN A 43 1.105 5.197 -7.682 1.00 0.00 O ATOM 354 CB GLN A 43 1.289 7.813 -9.421 1.00 0.00 C ATOM 355 CG GLN A 43 0.834 8.018 -10.857 1.00 0.00 C ATOM 356 CD GLN A 43 1.923 8.598 -11.737 1.00 0.00 C ATOM 357 OE1 GLN A 43 2.238 9.785 -11.655 1.00 0.00 O ATOM 358 NE2 GLN A 43 2.505 7.760 -12.587 1.00 0.00 N ATOM 0 H GLN A 43 -0.112 9.270 -7.985 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.497 6.663 -9.094 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.642 8.764 -9.022 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.138 7.129 -9.412 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.508 7.064 -11.270 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.030 8.683 -10.869 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.212 6.783 -12.621 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.245 8.093 -13.205 1.00 0.00 H new ATOM 367 N SER A 44 1.017 6.929 -6.246 1.00 0.00 N ATOM 368 CA SER A 44 1.606 6.183 -5.140 1.00 0.00 C ATOM 369 C SER A 44 0.529 5.716 -4.165 1.00 0.00 C ATOM 370 O SER A 44 -0.482 6.391 -3.968 1.00 0.00 O ATOM 371 CB SER A 44 2.634 7.046 -4.405 1.00 0.00 C ATOM 372 OG SER A 44 3.262 7.956 -5.292 1.00 0.00 O ATOM 0 H SER A 44 0.781 7.896 -6.025 1.00 0.00 H new ATOM 0 HA SER A 44 2.105 5.306 -5.551 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.144 7.596 -3.601 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.386 6.407 -3.942 1.00 0.00 H new ATOM 0 HG SER A 44 3.913 8.497 -4.799 1.00 0.00 H new ATOM 378 N LEU A 45 0.753 4.556 -3.558 1.00 0.00 N ATOM 379 CA LEU A 45 -0.197 3.995 -2.603 1.00 0.00 C ATOM 380 C LEU A 45 0.523 3.457 -1.371 1.00 0.00 C ATOM 381 O LEU A 45 1.729 3.214 -1.400 1.00 0.00 O ATOM 382 CB LEU A 45 -1.012 2.879 -3.260 1.00 0.00 C ATOM 383 CG LEU A 45 -1.938 3.305 -4.400 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.330 2.104 -5.246 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.174 4.000 -3.852 1.00 0.00 C ATOM 0 H LEU A 45 1.584 3.985 -3.710 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.871 4.791 -2.288 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.320 2.128 -3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.614 2.396 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.401 4.010 -5.034 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.989 2.426 -6.052 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.434 1.649 -5.669 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.848 1.374 -4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.821 4.296 -4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.713 3.318 -3.195 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.875 4.885 -3.290 1.00 0.00 H new ATOM 397 N VAL A 46 -0.227 3.272 -0.289 1.00 0.00 N ATOM 398 CA VAL A 46 0.339 2.760 0.954 1.00 0.00 C ATOM 399 C VAL A 46 -0.433 1.541 1.448 1.00 0.00 C ATOM 400 O VAL A 46 -1.639 1.612 1.689 1.00 0.00 O ATOM 401 CB VAL A 46 0.338 3.835 2.057 1.00 0.00 C ATOM 402 CG1 VAL A 46 -1.077 4.093 2.552 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.247 3.421 3.205 1.00 0.00 C ATOM 0 H VAL A 46 -1.227 3.469 -0.248 1.00 0.00 H new ATOM 0 HA VAL A 46 1.368 2.473 0.738 1.00 0.00 H new ATOM 0 HB VAL A 46 0.723 4.763 1.635 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.057 4.855 3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.695 4.437 1.723 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.494 3.171 2.957 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.234 4.192 3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.894 2.480 3.627 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.265 3.294 2.836 1.00 0.00 H new ATOM 413 N VAL A 47 0.269 0.423 1.597 1.00 0.00 N ATOM 414 CA VAL A 47 -0.350 -0.812 2.064 1.00 0.00 C ATOM 415 C VAL A 47 -0.417 -0.852 3.587 1.00 0.00 C ATOM 416 O VAL A 47 0.611 -0.879 4.263 1.00 0.00 O ATOM 417 CB VAL A 47 0.418 -2.049 1.563 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.466 -3.286 1.618 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.939 -1.818 0.153 1.00 0.00 C ATOM 0 H VAL A 47 1.267 0.347 1.401 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.361 -0.832 1.658 1.00 0.00 H new ATOM 0 HB VAL A 47 1.273 -2.214 2.219 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.094 -4.150 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.784 -3.460 2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.342 -3.135 0.988 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.479 -2.702 -0.185 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.101 -1.626 -0.518 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.611 -0.959 0.149 1.00 0.00 H new ATOM 429 N ALA A 48 -1.635 -0.854 4.120 1.00 0.00 N ATOM 430 CA ALA A 48 -1.836 -0.893 5.563 1.00 0.00 C ATOM 431 C ALA A 48 -1.991 -2.326 6.058 1.00 0.00 C ATOM 432 O ALA A 48 -2.446 -3.201 5.321 1.00 0.00 O ATOM 433 CB ALA A 48 -3.052 -0.065 5.949 1.00 0.00 C ATOM 0 H ALA A 48 -2.496 -0.829 3.574 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.953 -0.466 6.039 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.190 -0.103 7.030 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.901 0.969 5.639 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.937 -0.467 5.456 1.00 0.00 H new ATOM 439 N ASN A 49 -1.610 -2.561 7.309 1.00 0.00 N ATOM 440 CA ASN A 49 -1.708 -3.890 7.901 1.00 0.00 C ATOM 441 C ASN A 49 -0.855 -4.893 7.129 1.00 0.00 C ATOM 442 O ASN A 49 -1.132 -6.092 7.132 1.00 0.00 O ATOM 443 CB ASN A 49 -3.164 -4.355 7.927 1.00 0.00 C ATOM 444 CG ASN A 49 -3.942 -3.757 9.083 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.360 -3.306 10.070 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.265 -3.753 8.967 1.00 0.00 N ATOM 0 H ASN A 49 -1.231 -1.848 7.932 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.335 -3.833 8.924 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.646 -4.082 6.988 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.194 -5.442 7.996 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.841 -3.365 9.714 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.705 -4.137 8.131 1.00 0.00 H new ATOM 453 N GLY A 50 0.185 -4.393 6.469 1.00 0.00 N ATOM 454 CA GLY A 50 1.063 -5.258 5.702 1.00 0.00 C ATOM 455 C GLY A 50 2.524 -5.056 6.048 1.00 0.00 C ATOM 456 O GLY A 50 2.910 -5.136 7.214 1.00 0.00 O ATOM 0 H GLY A 50 0.435 -3.404 6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.791 -6.298 5.882 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.915 -5.069 4.639 1.00 0.00 H new ATOM 460 N GLY A 51 3.341 -4.794 5.032 1.00 0.00 N ATOM 461 CA GLY A 51 4.760 -4.585 5.256 1.00 0.00 C ATOM 462 C GLY A 51 5.452 -5.826 5.786 1.00 0.00 C ATOM 463 O GLY A 51 4.814 -6.692 6.388 1.00 0.00 O ATOM 0 H GLY A 51 3.046 -4.723 4.058 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.231 -4.281 4.321 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.897 -3.767 5.963 1.00 0.00 H new ATOM 467 N LEU A 52 6.758 -5.914 5.564 1.00 0.00 N ATOM 468 CA LEU A 52 7.538 -7.059 6.023 1.00 0.00 C ATOM 469 C LEU A 52 7.154 -7.441 7.449 1.00 0.00 C ATOM 470 O LEU A 52 6.857 -8.600 7.733 1.00 0.00 O ATOM 471 CB LEU A 52 9.033 -6.745 5.951 1.00 0.00 C ATOM 472 CG LEU A 52 9.570 -6.350 4.575 1.00 0.00 C ATOM 473 CD1 LEU A 52 10.899 -5.623 4.710 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.719 -7.578 3.688 1.00 0.00 C ATOM 0 H LEU A 52 7.300 -5.206 5.069 1.00 0.00 H new ATOM 0 HA LEU A 52 7.320 -7.903 5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.248 -5.936 6.649 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.585 -7.619 6.297 1.00 0.00 H new ATOM 0 HG LEU A 52 8.855 -5.673 4.107 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.266 -5.349 3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.762 -4.722 5.308 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.623 -6.276 5.198 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.102 -7.278 2.713 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.414 -8.279 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.748 -8.058 3.564 1.00 0.00 H new ATOM 486 N GLY A 53 7.162 -6.457 8.343 1.00 0.00 N ATOM 487 CA GLY A 53 6.811 -6.710 9.728 1.00 0.00 C ATOM 488 C GLY A 53 5.632 -7.654 9.865 1.00 0.00 C ATOM 489 O GLY A 53 5.553 -8.423 10.822 1.00 0.00 O ATOM 0 H GLY A 53 7.405 -5.489 8.133 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.672 -7.132 10.247 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.575 -5.765 10.218 1.00 0.00 H new ATOM 493 N ASN A 54 4.714 -7.594 8.906 1.00 0.00 N ATOM 494 CA ASN A 54 3.532 -8.447 8.925 1.00 0.00 C ATOM 495 C ASN A 54 3.785 -9.742 8.159 1.00 0.00 C ATOM 496 O ASN A 54 2.884 -10.283 7.520 1.00 0.00 O ATOM 497 CB ASN A 54 2.335 -7.711 8.323 1.00 0.00 C ATOM 498 CG ASN A 54 1.937 -6.493 9.135 1.00 0.00 C ATOM 499 OD1 ASN A 54 2.785 -5.821 9.722 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.641 -6.206 9.174 1.00 0.00 N ATOM 0 H ASN A 54 4.766 -6.963 8.106 1.00 0.00 H new ATOM 0 HA ASN A 54 3.311 -8.696 9.963 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.576 -7.403 7.305 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.488 -8.394 8.258 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.313 -5.400 9.706 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.026 -6.791 8.672 1.00 0.00 H new ATOM 507 N GLY A 55 5.018 -10.234 8.229 1.00 0.00 N ATOM 508 CA GLY A 55 5.367 -11.461 7.537 1.00 0.00 C ATOM 509 C GLY A 55 4.948 -11.446 6.080 1.00 0.00 C ATOM 510 O GLY A 55 4.665 -12.492 5.496 1.00 0.00 O ATOM 0 H GLY A 55 5.781 -9.805 8.752 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.444 -11.616 7.600 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.893 -12.305 8.039 1.00 0.00 H new ATOM 514 N VAL A 56 4.908 -10.256 5.490 1.00 0.00 N ATOM 515 CA VAL A 56 4.520 -10.107 4.093 1.00 0.00 C ATOM 516 C VAL A 56 5.729 -9.799 3.217 1.00 0.00 C ATOM 517 O VAL A 56 6.262 -8.689 3.244 1.00 0.00 O ATOM 518 CB VAL A 56 3.474 -8.991 3.916 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.346 -8.605 2.450 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.130 -9.426 4.480 1.00 0.00 C ATOM 0 H VAL A 56 5.140 -9.380 5.959 1.00 0.00 H new ATOM 0 HA VAL A 56 4.083 -11.056 3.783 1.00 0.00 H new ATOM 0 HB VAL A 56 3.808 -8.114 4.470 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.602 -7.815 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.308 -8.248 2.082 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.036 -9.475 1.871 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.403 -8.625 4.346 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.787 -10.318 3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.235 -9.647 5.542 1.00 0.00 H new ATOM 530 N SER A 57 6.157 -10.789 2.440 1.00 0.00 N ATOM 531 CA SER A 57 7.307 -10.625 1.557 1.00 0.00 C ATOM 532 C SER A 57 6.910 -9.889 0.281 1.00 0.00 C ATOM 533 O SER A 57 5.730 -9.817 -0.067 1.00 0.00 O ATOM 534 CB SER A 57 7.906 -11.988 1.208 1.00 0.00 C ATOM 535 OG SER A 57 8.350 -12.663 2.372 1.00 0.00 O ATOM 0 H SER A 57 5.725 -11.712 2.404 1.00 0.00 H new ATOM 0 HA SER A 57 8.056 -10.031 2.081 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.161 -12.595 0.694 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.741 -11.856 0.519 1.00 0.00 H new ATOM 0 HG SER A 57 8.727 -13.532 2.122 1.00 0.00 H new ATOM 541 N ARG A 58 7.904 -9.345 -0.414 1.00 0.00 N ATOM 542 CA ARG A 58 7.660 -8.614 -1.652 1.00 0.00 C ATOM 543 C ARG A 58 7.095 -9.537 -2.727 1.00 0.00 C ATOM 544 O ARG A 58 6.200 -9.156 -3.480 1.00 0.00 O ATOM 545 CB ARG A 58 8.954 -7.965 -2.149 1.00 0.00 C ATOM 546 CG ARG A 58 8.851 -7.407 -3.559 1.00 0.00 C ATOM 547 CD ARG A 58 10.063 -6.558 -3.911 1.00 0.00 C ATOM 548 NE ARG A 58 10.196 -5.401 -3.030 1.00 0.00 N ATOM 549 CZ ARG A 58 11.110 -4.453 -3.196 1.00 0.00 C ATOM 550 NH1 ARG A 58 11.968 -4.522 -4.205 1.00 0.00 N ATOM 551 NH2 ARG A 58 11.168 -3.430 -2.351 1.00 0.00 N ATOM 0 H ARG A 58 8.885 -9.397 -0.141 1.00 0.00 H new ATOM 0 HA ARG A 58 6.926 -7.835 -1.446 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.232 -7.161 -1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.756 -8.702 -2.116 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.761 -8.228 -4.271 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.946 -6.806 -3.649 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.964 -7.168 -3.846 1.00 0.00 H new ATOM 0 HD3 ARG A 58 9.981 -6.219 -4.944 1.00 0.00 H new ATOM 0 HE ARG A 58 9.551 -5.317 -2.244 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.927 -5.306 -4.857 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.669 -3.792 -4.329 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.510 -3.373 -1.574 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.871 -2.702 -2.479 1.00 0.00 H new ATOM 565 N ASN A 59 7.625 -10.754 -2.792 1.00 0.00 N ATOM 566 CA ASN A 59 7.175 -11.733 -3.776 1.00 0.00 C ATOM 567 C ASN A 59 5.807 -12.293 -3.398 1.00 0.00 C ATOM 568 O ASN A 59 5.223 -13.083 -4.141 1.00 0.00 O ATOM 569 CB ASN A 59 8.190 -12.871 -3.895 1.00 0.00 C ATOM 570 CG ASN A 59 9.418 -12.470 -4.688 1.00 0.00 C ATOM 571 OD1 ASN A 59 9.557 -11.318 -5.098 1.00 0.00 O ATOM 572 ND2 ASN A 59 10.317 -13.423 -4.909 1.00 0.00 N ATOM 0 H ASN A 59 8.366 -11.086 -2.175 1.00 0.00 H new ATOM 0 HA ASN A 59 7.089 -11.231 -4.740 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.493 -13.190 -2.898 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.716 -13.728 -4.373 1.00 0.00 H new ATOM 0 HD21 ASN A 59 11.164 -13.213 -5.438 1.00 0.00 H new ATOM 0 HD22 ASN A 59 10.161 -14.365 -4.550 1.00 0.00 H new ATOM 579 N GLN A 60 5.302 -11.879 -2.241 1.00 0.00 N ATOM 580 CA GLN A 60 4.003 -12.339 -1.766 1.00 0.00 C ATOM 581 C GLN A 60 2.964 -11.225 -1.855 1.00 0.00 C ATOM 582 O GLN A 60 1.760 -11.482 -1.820 1.00 0.00 O ATOM 583 CB GLN A 60 4.111 -12.838 -0.324 1.00 0.00 C ATOM 584 CG GLN A 60 2.765 -13.075 0.341 1.00 0.00 C ATOM 585 CD GLN A 60 1.899 -14.054 -0.425 1.00 0.00 C ATOM 586 OE1 GLN A 60 2.302 -15.191 -0.678 1.00 0.00 O ATOM 587 NE2 GLN A 60 0.703 -13.620 -0.802 1.00 0.00 N ATOM 0 H GLN A 60 5.773 -11.226 -1.615 1.00 0.00 H new ATOM 0 HA GLN A 60 3.682 -13.162 -2.405 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.681 -13.767 -0.312 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.673 -12.111 0.262 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.925 -13.451 1.352 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.238 -12.125 0.434 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.409 -12.671 -0.572 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.078 -14.236 -1.322 1.00 0.00 H new ATOM 596 N LEU A 61 3.438 -9.990 -1.968 1.00 0.00 N ATOM 597 CA LEU A 61 2.550 -8.836 -2.062 1.00 0.00 C ATOM 598 C LEU A 61 2.539 -8.270 -3.478 1.00 0.00 C ATOM 599 O LEU A 61 1.494 -7.863 -3.987 1.00 0.00 O ATOM 600 CB LEU A 61 2.983 -7.753 -1.071 1.00 0.00 C ATOM 601 CG LEU A 61 1.960 -6.651 -0.791 1.00 0.00 C ATOM 602 CD1 LEU A 61 0.707 -7.236 -0.157 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.562 -5.580 0.105 1.00 0.00 C ATOM 0 H LEU A 61 4.432 -9.761 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 61 1.541 -9.165 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.237 -8.234 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.894 -7.288 -1.447 1.00 0.00 H new ATOM 0 HG LEU A 61 1.682 -6.190 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.010 -6.438 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.264 -7.967 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.968 -7.723 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.820 -4.804 0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.868 -6.027 1.051 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.430 -5.140 -0.386 1.00 0.00 H new ATOM 615 N LEU A 62 3.707 -8.251 -4.110 1.00 0.00 N ATOM 616 CA LEU A 62 3.832 -7.738 -5.470 1.00 0.00 C ATOM 617 C LEU A 62 2.900 -8.481 -6.421 1.00 0.00 C ATOM 618 O LEU A 62 2.243 -7.888 -7.277 1.00 0.00 O ATOM 619 CB LEU A 62 5.278 -7.863 -5.953 1.00 0.00 C ATOM 620 CG LEU A 62 5.484 -7.845 -7.468 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.302 -6.437 -8.015 1.00 0.00 C ATOM 622 CD2 LEU A 62 6.861 -8.384 -7.826 1.00 0.00 C ATOM 0 H LEU A 62 4.581 -8.585 -3.703 1.00 0.00 H new ATOM 0 HA LEU A 62 3.548 -6.686 -5.462 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.857 -7.048 -5.518 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.692 -8.792 -5.561 1.00 0.00 H new ATOM 0 HG LEU A 62 4.733 -8.490 -7.925 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.452 -6.444 -9.095 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.294 -6.087 -7.791 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.029 -5.770 -7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.990 -8.364 -8.908 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.627 -7.766 -7.358 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.954 -9.410 -7.469 1.00 0.00 H new ATOM 634 N PRO A 63 2.837 -9.813 -6.268 1.00 0.00 N ATOM 635 CA PRO A 63 1.987 -10.667 -7.101 1.00 0.00 C ATOM 636 C PRO A 63 0.564 -10.129 -7.221 1.00 0.00 C ATOM 637 O PRO A 63 -0.050 -10.204 -8.285 1.00 0.00 O ATOM 638 CB PRO A 63 1.991 -12.006 -6.359 1.00 0.00 C ATOM 639 CG PRO A 63 3.272 -12.012 -5.598 1.00 0.00 C ATOM 640 CD PRO A 63 3.593 -10.586 -5.268 1.00 0.00 C ATOM 0 HA PRO A 63 2.354 -10.731 -8.125 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.133 -12.092 -5.692 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.939 -12.844 -7.054 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.178 -12.606 -4.689 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.070 -12.460 -6.190 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.288 -10.332 -4.253 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.663 -10.391 -5.338 1.00 0.00 H new ATOM 648 N VAL A 64 0.049 -9.586 -6.123 1.00 0.00 N ATOM 649 CA VAL A 64 -1.301 -9.033 -6.106 1.00 0.00 C ATOM 650 C VAL A 64 -1.332 -7.640 -6.723 1.00 0.00 C ATOM 651 O VAL A 64 -2.325 -7.242 -7.335 1.00 0.00 O ATOM 652 CB VAL A 64 -1.859 -8.960 -4.672 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.297 -8.466 -4.683 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.758 -10.317 -3.991 1.00 0.00 C ATOM 0 H VAL A 64 0.545 -9.517 -5.234 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.925 -9.703 -6.697 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.260 -8.248 -4.104 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.674 -8.421 -3.661 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.337 -7.472 -5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.912 -9.150 -5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -2.157 -10.247 -2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.331 -11.052 -4.557 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.714 -10.626 -3.949 1.00 0.00 H new ATOM 664 N LEU A 65 -0.240 -6.902 -6.560 1.00 0.00 N ATOM 665 CA LEU A 65 -0.141 -5.551 -7.102 1.00 0.00 C ATOM 666 C LEU A 65 0.127 -5.585 -8.603 1.00 0.00 C ATOM 667 O LEU A 65 0.005 -4.570 -9.288 1.00 0.00 O ATOM 668 CB LEU A 65 0.969 -4.775 -6.392 1.00 0.00 C ATOM 669 CG LEU A 65 0.876 -4.716 -4.867 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.169 -4.175 -4.275 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.307 -3.861 -4.438 1.00 0.00 C ATOM 0 H LEU A 65 0.590 -7.216 -6.057 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.093 -5.048 -6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.926 -5.222 -6.661 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.974 -3.755 -6.776 1.00 0.00 H new ATOM 0 HG LEU A 65 0.723 -5.728 -4.491 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.085 -4.140 -3.189 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.997 -4.826 -4.554 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.352 -3.171 -4.657 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.358 -3.830 -3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.184 -2.849 -4.824 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.228 -4.290 -4.832 1.00 0.00 H new ATOM 683 N GLU A 66 0.489 -6.760 -9.108 1.00 0.00 N ATOM 684 CA GLU A 66 0.773 -6.926 -10.529 1.00 0.00 C ATOM 685 C GLU A 66 -0.490 -7.314 -11.294 1.00 0.00 C ATOM 686 O GLU A 66 -0.750 -6.804 -12.385 1.00 0.00 O ATOM 687 CB GLU A 66 1.853 -7.990 -10.735 1.00 0.00 C ATOM 688 CG GLU A 66 3.242 -7.536 -10.316 1.00 0.00 C ATOM 689 CD GLU A 66 4.339 -8.408 -10.893 1.00 0.00 C ATOM 690 OE1 GLU A 66 4.628 -8.276 -12.101 1.00 0.00 O ATOM 691 OE2 GLU A 66 4.909 -9.222 -10.138 1.00 0.00 O ATOM 0 H GLU A 66 0.593 -7.611 -8.555 1.00 0.00 H new ATOM 0 HA GLU A 66 1.134 -5.973 -10.915 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.585 -8.882 -10.169 1.00 0.00 H new ATOM 0 HB3 GLU A 66 1.875 -8.275 -11.787 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.396 -6.506 -10.637 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.310 -7.545 -9.228 1.00 0.00 H new ATOM 698 N LYS A 67 -1.272 -8.218 -10.714 1.00 0.00 N ATOM 699 CA LYS A 67 -2.508 -8.674 -11.339 1.00 0.00 C ATOM 700 C LYS A 67 -3.461 -7.507 -11.576 1.00 0.00 C ATOM 701 O LYS A 67 -4.141 -7.447 -12.600 1.00 0.00 O ATOM 702 CB LYS A 67 -3.186 -9.732 -10.463 1.00 0.00 C ATOM 703 CG LYS A 67 -3.392 -9.289 -9.025 1.00 0.00 C ATOM 704 CD LYS A 67 -4.114 -10.350 -8.213 1.00 0.00 C ATOM 705 CE LYS A 67 -5.606 -10.357 -8.506 1.00 0.00 C ATOM 706 NZ LYS A 67 -6.346 -11.276 -7.597 1.00 0.00 N ATOM 0 H LYS A 67 -1.072 -8.650 -9.812 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.257 -9.116 -12.303 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.152 -9.987 -10.898 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.583 -10.640 -10.472 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.426 -9.074 -8.568 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.966 -8.363 -9.007 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -3.694 -11.330 -8.438 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.952 -10.169 -7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.001 -9.347 -8.401 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.771 -10.658 -9.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.359 -11.252 -7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.987 -12.245 -7.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.209 -10.974 -6.611 1.00 0.00 H new ATOM 720 N CYS A 68 -3.505 -6.583 -10.622 1.00 0.00 N ATOM 721 CA CYS A 68 -4.375 -5.417 -10.727 1.00 0.00 C ATOM 722 C CYS A 68 -3.860 -4.448 -11.787 1.00 0.00 C ATOM 723 O CYS A 68 -4.626 -3.947 -12.609 1.00 0.00 O ATOM 724 CB CYS A 68 -4.477 -4.707 -9.377 1.00 0.00 C ATOM 725 SG CYS A 68 -5.723 -5.406 -8.267 1.00 0.00 S ATOM 0 H CYS A 68 -2.949 -6.619 -9.768 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.366 -5.760 -11.024 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.505 -4.744 -8.885 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.707 -3.655 -9.548 1.00 0.00 H new ATOM 0 HG CYS A 68 -6.712 -4.571 -8.145 1.00 0.00 H new ATOM 731 N GLY A 69 -2.556 -4.188 -11.760 1.00 0.00 N ATOM 732 CA GLY A 69 -1.962 -3.279 -12.722 1.00 0.00 C ATOM 733 C GLY A 69 -0.464 -3.477 -12.858 1.00 0.00 C ATOM 734 O GLY A 69 0.066 -4.529 -12.500 1.00 0.00 O ATOM 0 H GLY A 69 -1.901 -4.591 -11.089 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.434 -3.424 -13.694 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.164 -2.252 -12.419 1.00 0.00 H new ATOM 738 N LEU A 70 0.220 -2.463 -13.377 1.00 0.00 N ATOM 739 CA LEU A 70 1.665 -2.531 -13.561 1.00 0.00 C ATOM 740 C LEU A 70 2.394 -1.900 -12.379 1.00 0.00 C ATOM 741 O LEU A 70 2.139 -0.750 -12.020 1.00 0.00 O ATOM 742 CB LEU A 70 2.068 -1.826 -14.858 1.00 0.00 C ATOM 743 CG LEU A 70 1.695 -2.545 -16.155 1.00 0.00 C ATOM 744 CD1 LEU A 70 1.843 -1.609 -17.345 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.552 -3.788 -16.342 1.00 0.00 C ATOM 0 H LEU A 70 -0.203 -1.585 -13.678 1.00 0.00 H new ATOM 0 HA LEU A 70 1.950 -3.581 -13.622 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.609 -0.837 -14.869 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.148 -1.676 -14.846 1.00 0.00 H new ATOM 0 HG LEU A 70 0.652 -2.855 -16.089 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.573 -2.138 -18.259 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.186 -0.749 -17.216 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.876 -1.269 -17.414 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.272 -4.287 -17.270 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.603 -3.502 -16.386 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.396 -4.467 -15.504 1.00 0.00 H new ATOM 757 N VAL A 71 3.306 -2.659 -11.779 1.00 0.00 N ATOM 758 CA VAL A 71 4.076 -2.174 -10.641 1.00 0.00 C ATOM 759 C VAL A 71 5.423 -1.617 -11.085 1.00 0.00 C ATOM 760 O VAL A 71 6.330 -2.369 -11.443 1.00 0.00 O ATOM 761 CB VAL A 71 4.310 -3.289 -9.605 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.319 -2.843 -8.558 1.00 0.00 C ATOM 763 CG2 VAL A 71 2.996 -3.694 -8.952 1.00 0.00 C ATOM 0 H VAL A 71 3.529 -3.613 -12.063 1.00 0.00 H new ATOM 0 HA VAL A 71 3.491 -1.378 -10.181 1.00 0.00 H new ATOM 0 HB VAL A 71 4.717 -4.159 -10.120 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.471 -3.644 -7.835 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.266 -2.607 -9.043 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.944 -1.958 -8.045 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.180 -4.483 -8.223 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.558 -2.831 -8.450 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.308 -4.058 -9.715 1.00 0.00 H new ATOM 773 N ASP A 72 5.549 -0.295 -11.059 1.00 0.00 N ATOM 774 CA ASP A 72 6.787 0.365 -11.457 1.00 0.00 C ATOM 775 C ASP A 72 7.832 0.271 -10.350 1.00 0.00 C ATOM 776 O ASP A 72 8.983 -0.088 -10.598 1.00 0.00 O ATOM 777 CB ASP A 72 6.522 1.830 -11.803 1.00 0.00 C ATOM 778 CG ASP A 72 6.186 2.028 -13.268 1.00 0.00 C ATOM 779 OD1 ASP A 72 6.168 1.026 -14.014 1.00 0.00 O ATOM 780 OD2 ASP A 72 5.939 3.184 -13.669 1.00 0.00 O ATOM 0 H ASP A 72 4.808 0.342 -10.766 1.00 0.00 H new ATOM 0 HA ASP A 72 7.173 -0.143 -12.341 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.700 2.202 -11.191 1.00 0.00 H new ATOM 0 HB3 ASP A 72 7.400 2.424 -11.551 1.00 0.00 H new ATOM 785 N ALA A 73 7.425 0.600 -9.129 1.00 0.00 N ATOM 786 CA ALA A 73 8.326 0.553 -7.984 1.00 0.00 C ATOM 787 C ALA A 73 7.563 0.258 -6.697 1.00 0.00 C ATOM 788 O ALA A 73 6.605 0.955 -6.358 1.00 0.00 O ATOM 789 CB ALA A 73 9.090 1.862 -7.860 1.00 0.00 C ATOM 0 H ALA A 73 6.476 0.902 -8.907 1.00 0.00 H new ATOM 0 HA ALA A 73 9.038 -0.256 -8.146 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.759 1.813 -7.001 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.674 2.030 -8.765 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.386 2.683 -7.725 1.00 0.00 H new ATOM 795 N LEU A 74 7.993 -0.776 -5.983 1.00 0.00 N ATOM 796 CA LEU A 74 7.349 -1.163 -4.733 1.00 0.00 C ATOM 797 C LEU A 74 8.304 -0.998 -3.555 1.00 0.00 C ATOM 798 O LEU A 74 9.207 -1.812 -3.354 1.00 0.00 O ATOM 799 CB LEU A 74 6.865 -2.612 -4.812 1.00 0.00 C ATOM 800 CG LEU A 74 6.513 -3.276 -3.480 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.259 -2.653 -2.889 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.330 -4.776 -3.663 1.00 0.00 C ATOM 0 H LEU A 74 8.785 -1.362 -6.248 1.00 0.00 H new ATOM 0 HA LEU A 74 6.492 -0.508 -4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.986 -2.646 -5.455 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.639 -3.206 -5.298 1.00 0.00 H new ATOM 0 HG LEU A 74 7.337 -3.113 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.024 -3.138 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.426 -1.589 -2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.427 -2.785 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.080 -5.232 -2.705 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.524 -4.960 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.255 -5.212 -4.042 1.00 0.00 H new ATOM 814 N LEU A 75 8.100 0.060 -2.779 1.00 0.00 N ATOM 815 CA LEU A 75 8.942 0.332 -1.618 1.00 0.00 C ATOM 816 C LEU A 75 8.435 -0.418 -0.390 1.00 0.00 C ATOM 817 O LEU A 75 7.262 -0.323 -0.033 1.00 0.00 O ATOM 818 CB LEU A 75 8.981 1.834 -1.332 1.00 0.00 C ATOM 819 CG LEU A 75 9.723 2.257 -0.065 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.227 2.178 -0.274 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.314 3.663 0.349 1.00 0.00 C ATOM 0 H LEU A 75 7.359 0.744 -2.932 1.00 0.00 H new ATOM 0 HA LEU A 75 9.951 -0.015 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.443 2.334 -2.183 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.956 2.198 -1.267 1.00 0.00 H new ATOM 0 HG LEU A 75 9.452 1.570 0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.738 2.483 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.507 1.154 -0.521 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.516 2.840 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.852 3.947 1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.554 4.362 -0.452 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.242 3.688 0.543 1.00 0.00 H new ATOM 833 N MET A 76 9.330 -1.161 0.253 1.00 0.00 N ATOM 834 CA MET A 76 8.973 -1.925 1.443 1.00 0.00 C ATOM 835 C MET A 76 9.963 -1.663 2.574 1.00 0.00 C ATOM 836 O MET A 76 11.032 -2.269 2.648 1.00 0.00 O ATOM 837 CB MET A 76 8.931 -3.420 1.123 1.00 0.00 C ATOM 838 CG MET A 76 7.729 -3.830 0.288 1.00 0.00 C ATOM 839 SD MET A 76 7.530 -5.619 0.185 1.00 0.00 S ATOM 840 CE MET A 76 6.591 -5.942 1.675 1.00 0.00 C ATOM 0 H MET A 76 10.306 -1.250 -0.029 1.00 0.00 H new ATOM 0 HA MET A 76 7.983 -1.603 1.767 1.00 0.00 H new ATOM 0 HB2 MET A 76 9.842 -3.695 0.592 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.923 -3.983 2.056 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.828 -3.393 0.717 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.834 -3.422 -0.717 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.213 -6.486 2.386 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.275 -4.997 2.118 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.713 -6.540 1.429 1.00 0.00 H new ATOM 850 N PRO A 77 9.602 -0.738 3.475 1.00 0.00 N ATOM 851 CA PRO A 77 10.445 -0.375 4.618 1.00 0.00 C ATOM 852 C PRO A 77 10.531 -1.492 5.653 1.00 0.00 C ATOM 853 O PRO A 77 9.537 -2.134 5.992 1.00 0.00 O ATOM 854 CB PRO A 77 9.736 0.847 5.208 1.00 0.00 C ATOM 855 CG PRO A 77 8.312 0.696 4.794 1.00 0.00 C ATOM 856 CD PRO A 77 8.342 0.024 3.449 1.00 0.00 C ATOM 0 HA PRO A 77 11.476 -0.184 4.320 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.832 0.874 6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.163 1.775 4.827 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.757 0.098 5.517 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.818 1.666 4.735 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.481 -0.629 3.307 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.329 0.751 2.637 1.00 0.00 H new ATOM 864 N PRO A 78 11.747 -1.730 6.168 1.00 0.00 N ATOM 865 CA PRO A 78 11.991 -2.769 7.173 1.00 0.00 C ATOM 866 C PRO A 78 11.377 -2.423 8.526 1.00 0.00 C ATOM 867 O PRO A 78 11.322 -1.257 8.912 1.00 0.00 O ATOM 868 CB PRO A 78 13.517 -2.813 7.273 1.00 0.00 C ATOM 869 CG PRO A 78 13.964 -1.458 6.848 1.00 0.00 C ATOM 870 CD PRO A 78 12.975 -1.002 5.810 1.00 0.00 C ATOM 0 HA PRO A 78 11.541 -3.721 6.893 1.00 0.00 H new ATOM 0 HB2 PRO A 78 13.841 -3.036 8.290 1.00 0.00 H new ATOM 0 HB3 PRO A 78 13.934 -3.587 6.629 1.00 0.00 H new ATOM 0 HG2 PRO A 78 13.986 -0.771 7.694 1.00 0.00 H new ATOM 0 HG3 PRO A 78 14.973 -1.491 6.438 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.827 0.077 5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.308 -1.247 4.802 1.00 0.00 H new ATOM 878 N ASN A 79 10.917 -3.445 9.241 1.00 0.00 N ATOM 879 CA ASN A 79 10.308 -3.248 10.550 1.00 0.00 C ATOM 880 C ASN A 79 9.131 -2.282 10.464 1.00 0.00 C ATOM 881 O ASN A 79 8.868 -1.519 11.394 1.00 0.00 O ATOM 882 CB ASN A 79 11.345 -2.720 11.544 1.00 0.00 C ATOM 883 CG ASN A 79 12.549 -3.634 11.665 1.00 0.00 C ATOM 884 OD1 ASN A 79 12.990 -4.230 10.683 1.00 0.00 O ATOM 885 ND2 ASN A 79 13.084 -3.749 12.876 1.00 0.00 N ATOM 0 H ASN A 79 10.955 -4.417 8.935 1.00 0.00 H new ATOM 0 HA ASN A 79 9.938 -4.212 10.899 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.674 -1.730 11.229 1.00 0.00 H new ATOM 0 HB3 ASN A 79 10.880 -2.605 12.523 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.895 -4.351 13.020 1.00 0.00 H new ATOM 0 HD22 ASN A 79 12.684 -3.235 13.661 1.00 0.00 H new ATOM 892 N LYS A 80 8.424 -2.319 9.339 1.00 0.00 N ATOM 893 CA LYS A 80 7.274 -1.448 9.128 1.00 0.00 C ATOM 894 C LYS A 80 6.081 -2.240 8.602 1.00 0.00 C ATOM 895 O LYS A 80 6.139 -2.864 7.542 1.00 0.00 O ATOM 896 CB LYS A 80 7.628 -0.327 8.149 1.00 0.00 C ATOM 897 CG LYS A 80 8.561 0.720 8.734 1.00 0.00 C ATOM 898 CD LYS A 80 7.962 1.374 9.968 1.00 0.00 C ATOM 899 CE LYS A 80 8.612 2.717 10.258 1.00 0.00 C ATOM 900 NZ LYS A 80 9.831 2.571 11.103 1.00 0.00 N ATOM 0 H LYS A 80 8.628 -2.944 8.559 1.00 0.00 H new ATOM 0 HA LYS A 80 7.002 -1.009 10.088 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.093 -0.762 7.264 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.710 0.160 7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.513 0.256 8.993 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.771 1.482 7.983 1.00 0.00 H new ATOM 0 HD2 LYS A 80 6.890 1.511 9.824 1.00 0.00 H new ATOM 0 HD3 LYS A 80 8.087 0.715 10.827 1.00 0.00 H new ATOM 0 HE2 LYS A 80 8.877 3.203 9.319 1.00 0.00 H new ATOM 0 HE3 LYS A 80 7.896 3.366 10.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 10.246 3.508 11.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 9.574 2.130 12.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.525 1.972 10.611 1.00 0.00 H new ATOM 914 N PRO A 81 4.973 -2.214 9.356 1.00 0.00 N ATOM 915 CA PRO A 81 3.745 -2.924 8.983 1.00 0.00 C ATOM 916 C PRO A 81 3.055 -2.294 7.777 1.00 0.00 C ATOM 917 O PRO A 81 2.006 -2.764 7.335 1.00 0.00 O ATOM 918 CB PRO A 81 2.866 -2.791 10.230 1.00 0.00 C ATOM 919 CG PRO A 81 3.356 -1.559 10.909 1.00 0.00 C ATOM 920 CD PRO A 81 4.832 -1.491 10.631 1.00 0.00 C ATOM 0 HA PRO A 81 3.943 -3.955 8.691 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.812 -2.704 9.964 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.961 -3.664 10.876 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.846 -0.674 10.528 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.162 -1.601 11.981 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.178 -0.461 10.549 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.412 -1.960 11.425 1.00 0.00 H new ATOM 928 N TYR A 82 3.652 -1.231 7.249 1.00 0.00 N ATOM 929 CA TYR A 82 3.095 -0.537 6.094 1.00 0.00 C ATOM 930 C TYR A 82 4.127 -0.422 4.977 1.00 0.00 C ATOM 931 O TYR A 82 5.329 -0.337 5.233 1.00 0.00 O ATOM 932 CB TYR A 82 2.605 0.855 6.497 1.00 0.00 C ATOM 933 CG TYR A 82 3.695 1.741 7.058 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.599 2.378 6.218 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.819 1.939 8.427 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.597 3.188 6.726 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.813 2.748 8.944 1.00 0.00 C ATOM 938 CZ TYR A 82 5.699 3.371 8.090 1.00 0.00 C ATOM 939 OH TYR A 82 6.691 4.177 8.600 1.00 0.00 O ATOM 0 H TYR A 82 4.521 -0.831 7.602 1.00 0.00 H new ATOM 0 HA TYR A 82 2.251 -1.119 5.725 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.164 1.342 5.627 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.814 0.752 7.240 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.521 2.238 5.150 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.127 1.453 9.099 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.293 3.675 6.059 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.896 2.892 10.011 1.00 0.00 H new ATOM 0 HH TYR A 82 6.383 4.586 9.435 1.00 0.00 H new ATOM 949 N SER A 83 3.649 -0.419 3.737 1.00 0.00 N ATOM 950 CA SER A 83 4.529 -0.318 2.579 1.00 0.00 C ATOM 951 C SER A 83 4.028 0.747 1.607 1.00 0.00 C ATOM 952 O SER A 83 2.994 1.375 1.837 1.00 0.00 O ATOM 953 CB SER A 83 4.629 -1.668 1.867 1.00 0.00 C ATOM 954 OG SER A 83 4.708 -2.732 2.800 1.00 0.00 O ATOM 0 H SER A 83 2.657 -0.485 3.508 1.00 0.00 H new ATOM 0 HA SER A 83 5.519 -0.028 2.931 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.761 -1.808 1.223 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.508 -1.679 1.223 1.00 0.00 H new ATOM 0 HG SER A 83 4.609 -3.587 2.331 1.00 0.00 H new ATOM 960 N PHE A 84 4.769 0.944 0.521 1.00 0.00 N ATOM 961 CA PHE A 84 4.401 1.932 -0.485 1.00 0.00 C ATOM 962 C PHE A 84 4.619 1.383 -1.893 1.00 0.00 C ATOM 963 O PHE A 84 5.708 0.917 -2.226 1.00 0.00 O ATOM 964 CB PHE A 84 5.216 3.213 -0.294 1.00 0.00 C ATOM 965 CG PHE A 84 5.131 3.776 1.096 1.00 0.00 C ATOM 966 CD1 PHE A 84 4.028 4.515 1.493 1.00 0.00 C ATOM 967 CD2 PHE A 84 6.154 3.565 2.006 1.00 0.00 C ATOM 968 CE1 PHE A 84 3.947 5.034 2.771 1.00 0.00 C ATOM 969 CE2 PHE A 84 6.078 4.081 3.287 1.00 0.00 C ATOM 970 CZ PHE A 84 4.974 4.817 3.669 1.00 0.00 C ATOM 0 H PHE A 84 5.627 0.432 0.316 1.00 0.00 H new ATOM 0 HA PHE A 84 3.342 2.161 -0.363 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.260 3.009 -0.531 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.869 3.964 -1.004 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.222 4.687 0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.020 2.991 1.712 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.082 5.609 3.067 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.881 3.908 3.988 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.913 5.222 4.668 1.00 0.00 H new ATOM 980 N ALA A 85 3.575 1.441 -2.712 1.00 0.00 N ATOM 981 CA ALA A 85 3.652 0.950 -4.083 1.00 0.00 C ATOM 982 C ALA A 85 3.534 2.095 -5.082 1.00 0.00 C ATOM 983 O ALA A 85 2.874 3.100 -4.815 1.00 0.00 O ATOM 984 CB ALA A 85 2.566 -0.086 -4.333 1.00 0.00 C ATOM 0 H ALA A 85 2.666 1.823 -2.451 1.00 0.00 H new ATOM 0 HA ALA A 85 4.626 0.480 -4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.635 -0.444 -5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.697 -0.923 -3.647 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.588 0.366 -4.171 1.00 0.00 H new ATOM 990 N ARG A 86 4.178 1.938 -6.234 1.00 0.00 N ATOM 991 CA ARG A 86 4.147 2.960 -7.273 1.00 0.00 C ATOM 992 C ARG A 86 3.703 2.366 -8.607 1.00 0.00 C ATOM 993 O ARG A 86 4.485 1.714 -9.298 1.00 0.00 O ATOM 994 CB ARG A 86 5.524 3.607 -7.424 1.00 0.00 C ATOM 995 CG ARG A 86 5.470 5.055 -7.884 1.00 0.00 C ATOM 996 CD ARG A 86 6.728 5.812 -7.486 1.00 0.00 C ATOM 997 NE ARG A 86 7.763 5.733 -8.513 1.00 0.00 N ATOM 998 CZ ARG A 86 8.960 6.297 -8.394 1.00 0.00 C ATOM 999 NH1 ARG A 86 9.271 6.976 -7.299 1.00 0.00 N ATOM 1000 NH2 ARG A 86 9.849 6.180 -9.372 1.00 0.00 N ATOM 0 H ARG A 86 4.728 1.112 -6.471 1.00 0.00 H new ATOM 0 HA ARG A 86 3.426 3.722 -6.976 1.00 0.00 H new ATOM 0 HB2 ARG A 86 6.046 3.558 -6.468 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.111 3.029 -8.138 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.350 5.090 -8.967 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.597 5.544 -7.451 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.479 6.857 -7.302 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.114 5.407 -6.551 1.00 0.00 H new ATOM 0 HE ARG A 86 7.556 5.217 -9.368 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.590 7.067 -6.545 1.00 0.00 H new ATOM 0 HH12 ARG A 86 10.191 7.408 -7.211 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.613 5.657 -10.215 1.00 0.00 H new ATOM 0 HH22 ARG A 86 10.768 6.613 -9.280 1.00 0.00 H new ATOM 1014 N TYR A 87 2.443 2.597 -8.961 1.00 0.00 N ATOM 1015 CA TYR A 87 1.894 2.083 -10.211 1.00 0.00 C ATOM 1016 C TYR A 87 2.383 2.905 -11.399 1.00 0.00 C ATOM 1017 O TYR A 87 2.776 4.061 -11.249 1.00 0.00 O ATOM 1018 CB TYR A 87 0.366 2.093 -10.163 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.222 0.951 -9.364 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.445 1.076 -7.998 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.553 -0.252 -9.975 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -0.982 0.036 -7.264 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -1.092 -1.296 -9.249 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.303 -1.149 -7.894 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.838 -2.188 -7.168 1.00 0.00 O ATOM 0 H TYR A 87 1.783 3.136 -8.401 1.00 0.00 H new ATOM 0 HA TYR A 87 2.240 1.057 -10.336 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.030 3.037 -9.733 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -0.022 2.051 -11.181 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.194 2.002 -7.502 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.386 -0.373 -11.035 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.150 0.150 -6.203 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.347 -2.223 -9.740 1.00 0.00 H new ATOM 0 HH TYR A 87 -2.008 -2.949 -7.762 1.00 0.00 H new ATOM 1035 N ARG A 88 2.353 2.299 -12.582 1.00 0.00 N ATOM 1036 CA ARG A 88 2.792 2.974 -13.797 1.00 0.00 C ATOM 1037 C ARG A 88 1.811 4.071 -14.195 1.00 0.00 C ATOM 1038 O ARG A 88 2.210 5.135 -14.671 1.00 0.00 O ATOM 1039 CB ARG A 88 2.938 1.967 -14.941 1.00 0.00 C ATOM 1040 CG ARG A 88 3.645 2.531 -16.162 1.00 0.00 C ATOM 1041 CD ARG A 88 2.669 3.222 -17.101 1.00 0.00 C ATOM 1042 NE ARG A 88 3.325 3.708 -18.312 1.00 0.00 N ATOM 1043 CZ ARG A 88 4.142 4.754 -18.335 1.00 0.00 C ATOM 1044 NH1 ARG A 88 4.404 5.421 -17.218 1.00 0.00 N ATOM 1045 NH2 ARG A 88 4.702 5.137 -19.475 1.00 0.00 N ATOM 0 H ARG A 88 2.029 1.342 -12.724 1.00 0.00 H new ATOM 0 HA ARG A 88 3.761 3.432 -13.598 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.490 1.099 -14.581 1.00 0.00 H new ATOM 0 HB3 ARG A 88 1.948 1.617 -15.234 1.00 0.00 H new ATOM 0 HG2 ARG A 88 4.411 3.239 -15.846 1.00 0.00 H new ATOM 0 HG3 ARG A 88 4.155 1.727 -16.693 1.00 0.00 H new ATOM 0 HD2 ARG A 88 1.874 2.527 -17.373 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.198 4.058 -16.583 1.00 0.00 H new ATOM 0 HE ARG A 88 3.146 3.217 -19.188 1.00 0.00 H new ATOM 0 HH11 ARG A 88 3.977 5.130 -16.338 1.00 0.00 H new ATOM 0 HH12 ARG A 88 5.032 6.224 -17.239 1.00 0.00 H new ATOM 0 HH21 ARG A 88 4.505 4.627 -20.336 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.329 5.941 -19.490 1.00 0.00 H new ATOM 1059 N THR A 89 0.523 3.807 -13.996 1.00 0.00 N ATOM 1060 CA THR A 89 -0.516 4.772 -14.335 1.00 0.00 C ATOM 1061 C THR A 89 -1.531 4.905 -13.206 1.00 0.00 C ATOM 1062 O THR A 89 -1.869 3.926 -12.541 1.00 0.00 O ATOM 1063 CB THR A 89 -1.253 4.372 -15.628 1.00 0.00 C ATOM 1064 OG1 THR A 89 -2.224 3.357 -15.345 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.273 3.865 -16.675 1.00 0.00 C ATOM 0 H THR A 89 0.175 2.933 -13.602 1.00 0.00 H new ATOM 0 HA THR A 89 -0.020 5.730 -14.489 1.00 0.00 H new ATOM 0 HB THR A 89 -1.756 5.256 -16.021 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.689 3.110 -16.171 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.817 3.589 -17.579 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.447 4.649 -16.910 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.254 2.993 -16.288 1.00 0.00 H new ATOM 1073 N THR A 90 -2.017 6.125 -12.995 1.00 0.00 N ATOM 1074 CA THR A 90 -2.993 6.388 -11.945 1.00 0.00 C ATOM 1075 C THR A 90 -4.142 5.388 -12.001 1.00 0.00 C ATOM 1076 O THR A 90 -4.463 4.742 -11.004 1.00 0.00 O ATOM 1077 CB THR A 90 -3.564 7.815 -12.053 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.523 8.733 -12.404 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.203 8.242 -10.741 1.00 0.00 C ATOM 0 H THR A 90 -1.750 6.946 -13.538 1.00 0.00 H new ATOM 0 HA THR A 90 -2.470 6.285 -10.994 1.00 0.00 H new ATOM 0 HB THR A 90 -4.329 7.820 -12.830 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.894 9.638 -12.472 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.599 9.253 -10.841 1.00 0.00 H new ATOM 0 HG22 THR A 90 -5.014 7.558 -10.491 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.455 8.222 -9.949 1.00 0.00 H new ATOM 1087 N GLU A 91 -4.757 5.265 -13.172 1.00 0.00 N ATOM 1088 CA GLU A 91 -5.871 4.342 -13.356 1.00 0.00 C ATOM 1089 C GLU A 91 -5.633 3.043 -12.592 1.00 0.00 C ATOM 1090 O GLU A 91 -6.367 2.716 -11.659 1.00 0.00 O ATOM 1091 CB GLU A 91 -6.074 4.042 -14.843 1.00 0.00 C ATOM 1092 CG GLU A 91 -6.248 5.286 -15.698 1.00 0.00 C ATOM 1093 CD GLU A 91 -7.475 6.090 -15.315 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -8.575 5.765 -15.808 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -7.335 7.043 -14.520 1.00 0.00 O ATOM 0 H GLU A 91 -4.503 5.792 -14.007 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.770 4.816 -12.962 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.218 3.476 -15.211 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.951 3.406 -14.960 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -5.362 5.914 -15.603 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.322 4.995 -16.746 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.604 2.305 -12.995 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.270 1.041 -12.349 1.00 0.00 C ATOM 1104 C GLU A 92 -4.272 1.189 -10.830 1.00 0.00 C ATOM 1105 O GLU A 92 -4.982 0.472 -10.128 1.00 0.00 O ATOM 1106 CB GLU A 92 -2.902 0.546 -12.824 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.868 0.169 -14.295 1.00 0.00 C ATOM 1108 CD GLU A 92 -3.962 -0.811 -14.673 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -5.125 -0.376 -14.805 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -3.655 -2.010 -14.834 1.00 0.00 O ATOM 0 H GLU A 92 -3.987 2.560 -13.766 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.029 0.309 -12.626 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.160 1.323 -12.640 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.612 -0.320 -12.229 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.969 1.070 -14.899 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.897 -0.267 -14.532 1.00 0.00 H new ATOM 1117 N SER A 93 -3.471 2.126 -10.333 1.00 0.00 N ATOM 1118 CA SER A 93 -3.376 2.366 -8.898 1.00 0.00 C ATOM 1119 C SER A 93 -4.756 2.334 -8.249 1.00 0.00 C ATOM 1120 O SER A 93 -5.003 1.562 -7.323 1.00 0.00 O ATOM 1121 CB SER A 93 -2.703 3.714 -8.628 1.00 0.00 C ATOM 1122 OG SER A 93 -3.113 4.247 -7.381 1.00 0.00 O ATOM 0 H SER A 93 -2.879 2.731 -10.902 1.00 0.00 H new ATOM 0 HA SER A 93 -2.770 1.572 -8.461 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.620 3.592 -8.636 1.00 0.00 H new ATOM 0 HB3 SER A 93 -2.951 4.414 -9.426 1.00 0.00 H new ATOM 0 HG SER A 93 -2.792 5.169 -7.298 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.653 3.181 -8.742 1.00 0.00 N ATOM 1129 CA LYS A 94 -7.011 3.252 -8.213 1.00 0.00 C ATOM 1130 C LYS A 94 -7.665 1.873 -8.208 1.00 0.00 C ATOM 1131 O LYS A 94 -8.211 1.439 -7.193 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.854 4.224 -9.041 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.587 5.685 -8.722 1.00 0.00 C ATOM 1134 CD LYS A 94 -7.832 6.574 -9.929 1.00 0.00 C ATOM 1135 CE LYS A 94 -9.317 6.708 -10.230 1.00 0.00 C ATOM 1136 NZ LYS A 94 -9.592 7.826 -11.174 1.00 0.00 N ATOM 0 H LYS A 94 -5.465 3.828 -9.507 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.955 3.613 -7.186 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.659 4.050 -10.099 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.910 4.011 -8.872 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.229 6.002 -7.900 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.557 5.802 -8.386 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.406 7.561 -9.748 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.320 6.160 -10.797 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.687 5.775 -10.654 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.862 6.874 -9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.615 7.885 -11.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.262 8.720 -10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.092 7.655 -12.070 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.604 1.190 -9.345 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.190 -0.139 -9.471 1.00 0.00 C ATOM 1152 C ARG A 95 -7.798 -1.020 -8.288 1.00 0.00 C ATOM 1153 O ARG A 95 -8.618 -1.775 -7.766 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.744 -0.795 -10.778 1.00 0.00 C ATOM 1155 CG ARG A 95 -8.156 -2.253 -10.900 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.165 -3.045 -11.738 1.00 0.00 C ATOM 1157 NE ARG A 95 -7.670 -4.374 -12.073 1.00 0.00 N ATOM 1158 CZ ARG A 95 -8.545 -4.604 -13.045 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -9.010 -3.599 -13.774 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -8.957 -5.841 -13.290 1.00 0.00 N ATOM 0 H ARG A 95 -7.154 1.535 -10.193 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.275 -0.031 -9.479 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.162 -0.237 -11.616 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.659 -0.725 -10.858 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -8.229 -2.696 -9.907 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.147 -2.316 -11.351 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.948 -2.498 -12.655 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -6.225 -3.141 -11.194 1.00 0.00 H new ATOM 0 HE ARG A 95 -7.332 -5.169 -11.531 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -8.696 -2.646 -13.589 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -9.682 -3.778 -14.520 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.602 -6.617 -12.731 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -9.629 -6.016 -14.037 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.541 -0.917 -7.871 1.00 0.00 N ATOM 1175 CA ALA A 96 -6.042 -1.702 -6.749 1.00 0.00 C ATOM 1176 C ALA A 96 -6.473 -1.094 -5.418 1.00 0.00 C ATOM 1177 O ALA A 96 -6.754 -1.813 -4.459 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.525 -1.811 -6.815 1.00 0.00 C ATOM 0 H ALA A 96 -5.849 -0.298 -8.293 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.471 -2.702 -6.818 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.165 -2.400 -5.971 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.235 -2.297 -7.746 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.086 -0.814 -6.775 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.522 0.231 -5.367 1.00 0.00 N ATOM 1185 CA TYR A 97 -6.916 0.935 -4.153 1.00 0.00 C ATOM 1186 C TYR A 97 -8.353 0.596 -3.768 1.00 0.00 C ATOM 1187 O TYR A 97 -8.686 0.504 -2.585 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.772 2.446 -4.343 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.563 3.261 -3.346 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.101 3.448 -2.049 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.773 3.846 -3.700 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.821 4.191 -1.134 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.499 4.592 -2.793 1.00 0.00 C ATOM 1194 CZ TYR A 97 -9.019 4.762 -1.511 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.740 5.503 -0.602 1.00 0.00 O ATOM 0 H TYR A 97 -6.294 0.840 -6.153 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.256 0.612 -3.348 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.719 2.715 -4.264 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.094 2.709 -5.351 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.162 3.005 -1.751 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.152 3.715 -4.703 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.448 4.324 -0.129 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.437 5.040 -3.086 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.558 5.836 -1.027 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.200 0.408 -4.774 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.601 0.077 -4.543 1.00 0.00 C ATOM 1207 C VAL A 98 -10.803 -1.432 -4.471 1.00 0.00 C ATOM 1208 O VAL A 98 -11.802 -1.912 -3.933 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.504 0.653 -5.649 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -12.967 0.577 -5.239 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.106 2.086 -5.969 1.00 0.00 C ATOM 0 H VAL A 98 -8.940 0.479 -5.758 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.879 0.524 -3.589 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.372 0.053 -6.550 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.589 0.989 -6.033 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.242 -0.463 -5.064 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.119 1.151 -4.325 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.755 2.477 -6.753 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.207 2.700 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.071 2.109 -6.310 1.00 0.00 H new ATOM 1221 N THR A 99 -9.849 -2.179 -5.018 1.00 0.00 N ATOM 1222 CA THR A 99 -9.922 -3.635 -5.018 1.00 0.00 C ATOM 1223 C THR A 99 -9.104 -4.225 -3.876 1.00 0.00 C ATOM 1224 O THR A 99 -9.648 -4.864 -2.974 1.00 0.00 O ATOM 1225 CB THR A 99 -9.421 -4.222 -6.350 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.368 -3.954 -7.391 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.204 -5.723 -6.232 1.00 0.00 C ATOM 0 H THR A 99 -9.016 -1.799 -5.467 1.00 0.00 H new ATOM 0 HA THR A 99 -10.971 -3.900 -4.885 1.00 0.00 H new ATOM 0 HB THR A 99 -8.469 -3.750 -6.594 1.00 0.00 H new ATOM 0 HG1 THR A 99 -10.100 -3.147 -7.878 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.850 -6.116 -7.185 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.462 -5.924 -5.459 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.144 -6.207 -5.967 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.794 -4.009 -3.919 1.00 0.00 N ATOM 1236 CA LEU A 100 -6.900 -4.520 -2.885 1.00 0.00 C ATOM 1237 C LEU A 100 -7.359 -4.077 -1.500 1.00 0.00 C ATOM 1238 O LEU A 100 -7.387 -4.871 -0.561 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.469 -4.041 -3.139 1.00 0.00 C ATOM 1240 CG LEU A 100 -4.942 -4.228 -4.562 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.462 -3.884 -4.631 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.182 -5.654 -5.037 1.00 0.00 C ATOM 0 H LEU A 100 -7.327 -3.484 -4.658 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.925 -5.609 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.412 -2.982 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.804 -4.567 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.484 -3.551 -5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.103 -4.023 -5.651 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.315 -2.846 -4.333 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.905 -4.537 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.801 -5.769 -6.052 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.667 -6.350 -4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.251 -5.866 -5.025 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.720 -2.803 -1.381 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.179 -2.254 -0.110 1.00 0.00 C ATOM 1256 C ASN A 101 -9.367 -3.046 0.426 1.00 0.00 C ATOM 1257 O ASN A 101 -10.447 -3.043 -0.165 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.566 -0.783 -0.277 1.00 0.00 C ATOM 1259 CG ASN A 101 -8.881 -0.115 1.047 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.470 -0.727 1.939 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.492 1.148 1.181 1.00 0.00 N ATOM 0 H ASN A 101 -7.704 -2.132 -2.149 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.361 -2.329 0.607 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.751 -0.249 -0.766 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.433 -0.710 -0.933 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.679 1.650 2.049 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.007 1.616 0.416 1.00 0.00 H new ATOM 1268 N GLY A 102 -9.161 -3.723 1.552 1.00 0.00 N ATOM 1269 CA GLY A 102 -10.223 -4.510 2.150 1.00 0.00 C ATOM 1270 C GLY A 102 -10.148 -5.975 1.765 1.00 0.00 C ATOM 1271 O GLY A 102 -10.882 -6.804 2.303 1.00 0.00 O ATOM 0 H GLY A 102 -8.277 -3.740 2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.171 -4.420 3.235 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.187 -4.106 1.843 1.00 0.00 H new ATOM 1275 N LYS A 103 -9.257 -6.293 0.832 1.00 0.00 N ATOM 1276 CA LYS A 103 -9.087 -7.668 0.375 1.00 0.00 C ATOM 1277 C LYS A 103 -8.264 -8.475 1.374 1.00 0.00 C ATOM 1278 O LYS A 103 -7.509 -7.914 2.166 1.00 0.00 O ATOM 1279 CB LYS A 103 -8.411 -7.691 -0.997 1.00 0.00 C ATOM 1280 CG LYS A 103 -8.797 -8.889 -1.846 1.00 0.00 C ATOM 1281 CD LYS A 103 -7.933 -8.992 -3.092 1.00 0.00 C ATOM 1282 CE LYS A 103 -8.204 -10.280 -3.854 1.00 0.00 C ATOM 1283 NZ LYS A 103 -8.021 -11.482 -2.994 1.00 0.00 N ATOM 0 H LYS A 103 -8.642 -5.618 0.378 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.074 -8.123 0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.668 -6.778 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.330 -7.687 -0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.697 -9.801 -1.257 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.845 -8.809 -2.135 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.125 -8.137 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.881 -8.949 -2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -9.222 -10.264 -4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.535 -10.342 -4.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.878 -12.319 -3.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.191 -11.348 -2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.867 -11.619 -2.404 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.416 -9.796 1.328 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.685 -10.679 2.229 1.00 0.00 C ATOM 1299 C GLU A 104 -6.566 -11.406 1.489 1.00 0.00 C ATOM 1300 O GLU A 104 -6.770 -11.931 0.395 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.636 -11.695 2.865 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.259 -11.215 4.165 1.00 0.00 C ATOM 1303 CD GLU A 104 -10.126 -12.272 4.822 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -10.671 -13.128 4.095 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -10.257 -12.243 6.063 1.00 0.00 O ATOM 0 H GLU A 104 -9.038 -10.277 0.678 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.240 -10.068 3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.430 -11.930 2.156 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.092 -12.621 3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.469 -10.919 4.855 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -9.861 -10.327 3.969 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.383 -11.433 2.095 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.232 -12.096 1.495 1.00 0.00 C ATOM 1314 C VAL A 105 -3.534 -13.003 2.502 1.00 0.00 C ATOM 1315 O VAL A 105 -3.152 -12.566 3.588 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.216 -11.074 0.951 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -3.915 -10.031 0.093 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -2.460 -10.414 2.096 1.00 0.00 C ATOM 0 H VAL A 105 -5.197 -11.003 3.001 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.609 -12.698 0.668 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.496 -11.601 0.325 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.181 -9.318 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.407 -10.521 -0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.658 -9.505 0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.746 -9.695 1.694 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.165 -9.899 2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.927 -11.175 2.666 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.369 -14.271 2.134 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.715 -15.240 3.004 1.00 0.00 C ATOM 1330 C VAL A 106 -1.226 -14.943 3.138 1.00 0.00 C ATOM 1331 O VAL A 106 -0.458 -15.128 2.193 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.895 -16.677 2.479 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.897 -17.616 3.138 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -4.321 -17.153 2.710 1.00 0.00 C ATOM 0 H VAL A 106 -3.680 -14.650 1.239 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.188 -15.156 3.982 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.705 -16.680 1.406 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.040 -18.626 2.754 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.883 -17.283 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.052 -17.612 4.217 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.431 -18.170 2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.542 -17.136 3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.014 -16.495 2.185 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.824 -14.481 4.317 1.00 0.00 N ATOM 1345 CA ASP A 107 0.574 -14.158 4.575 1.00 0.00 C ATOM 1346 C ASP A 107 1.437 -15.416 4.546 1.00 0.00 C ATOM 1347 O ASP A 107 0.940 -16.515 4.295 1.00 0.00 O ATOM 1348 CB ASP A 107 0.717 -13.458 5.928 1.00 0.00 C ATOM 1349 CG ASP A 107 0.867 -14.439 7.074 1.00 0.00 C ATOM 1350 OD1 ASP A 107 0.247 -15.521 7.013 1.00 0.00 O ATOM 1351 OD2 ASP A 107 1.601 -14.123 8.033 1.00 0.00 O ATOM 0 H ASP A 107 -1.447 -14.322 5.109 1.00 0.00 H new ATOM 0 HA ASP A 107 0.917 -13.486 3.789 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.584 -12.798 5.903 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.157 -12.830 6.103 1.00 0.00 H new ATOM 1356 N ASP A 108 2.729 -15.248 4.803 1.00 0.00 N ATOM 1357 CA ASP A 108 3.660 -16.370 4.807 1.00 0.00 C ATOM 1358 C ASP A 108 3.228 -17.432 5.812 1.00 0.00 C ATOM 1359 O ASP A 108 3.281 -18.630 5.528 1.00 0.00 O ATOM 1360 CB ASP A 108 5.073 -15.886 5.134 1.00 0.00 C ATOM 1361 CG ASP A 108 5.269 -15.628 6.615 1.00 0.00 C ATOM 1362 OD1 ASP A 108 4.719 -14.627 7.120 1.00 0.00 O ATOM 1363 OD2 ASP A 108 5.972 -16.427 7.269 1.00 0.00 O ATOM 0 H ASP A 108 3.156 -14.345 5.011 1.00 0.00 H new ATOM 0 HA ASP A 108 3.657 -16.815 3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.795 -16.631 4.799 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.278 -14.971 4.579 1.00 0.00 H new ATOM 1368 N LEU A 109 2.800 -16.987 6.989 1.00 0.00 N ATOM 1369 CA LEU A 109 2.359 -17.900 8.038 1.00 0.00 C ATOM 1370 C LEU A 109 1.177 -18.741 7.566 1.00 0.00 C ATOM 1371 O LEU A 109 0.949 -19.842 8.064 1.00 0.00 O ATOM 1372 CB LEU A 109 1.972 -17.115 9.294 1.00 0.00 C ATOM 1373 CG LEU A 109 2.969 -16.049 9.753 1.00 0.00 C ATOM 1374 CD1 LEU A 109 2.364 -15.195 10.854 1.00 0.00 C ATOM 1375 CD2 LEU A 109 4.262 -16.697 10.225 1.00 0.00 C ATOM 0 H LEU A 109 2.749 -16.000 7.241 1.00 0.00 H new ATOM 0 HA LEU A 109 3.186 -18.569 8.275 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.011 -16.632 9.115 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.826 -17.823 10.110 1.00 0.00 H new ATOM 0 HG LEU A 109 3.199 -15.403 8.906 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.086 -14.442 11.169 1.00 0.00 H new ATOM 0 HD12 LEU A 109 1.466 -14.703 10.481 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.105 -15.827 11.704 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.960 -15.924 10.548 1.00 0.00 H new ATOM 0 HD22 LEU A 109 4.050 -17.366 11.059 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.704 -17.266 9.407 1.00 0.00 H new ATOM 1387 N GLY A 110 0.430 -18.214 6.601 1.00 0.00 N ATOM 1388 CA GLY A 110 -0.718 -18.931 6.077 1.00 0.00 C ATOM 1389 C GLY A 110 -2.032 -18.376 6.589 1.00 0.00 C ATOM 1390 O GLY A 110 -3.074 -19.018 6.465 1.00 0.00 O ATOM 0 H GLY A 110 0.599 -17.304 6.173 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.707 -18.883 4.988 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.641 -19.983 6.350 1.00 0.00 H new ATOM 1394 N GLN A 111 -1.982 -17.179 7.166 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.178 -16.540 7.701 1.00 0.00 C ATOM 1396 C GLN A 111 -3.626 -15.389 6.805 1.00 0.00 C ATOM 1397 O GLN A 111 -2.802 -14.657 6.258 1.00 0.00 O ATOM 1398 CB GLN A 111 -2.917 -16.028 9.118 1.00 0.00 C ATOM 1399 CG GLN A 111 -2.526 -17.122 10.099 1.00 0.00 C ATOM 1400 CD GLN A 111 -2.873 -16.772 11.532 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -2.007 -16.757 12.407 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -4.147 -16.488 11.780 1.00 0.00 N ATOM 0 H GLN A 111 -1.127 -16.633 7.275 1.00 0.00 H new ATOM 0 HA GLN A 111 -3.975 -17.283 7.732 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.124 -15.281 9.085 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -3.812 -15.526 9.485 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.029 -18.049 9.823 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.454 -17.307 10.023 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -4.831 -16.513 11.024 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -4.441 -16.245 12.726 1.00 0.00 H new ATOM 1411 N LYS A 112 -4.938 -15.236 6.660 1.00 0.00 N ATOM 1412 CA LYS A 112 -5.498 -14.174 5.832 1.00 0.00 C ATOM 1413 C LYS A 112 -5.551 -12.857 6.600 1.00 0.00 C ATOM 1414 O LYS A 112 -6.116 -12.787 7.692 1.00 0.00 O ATOM 1415 CB LYS A 112 -6.901 -14.557 5.356 1.00 0.00 C ATOM 1416 CG LYS A 112 -6.909 -15.666 4.318 1.00 0.00 C ATOM 1417 CD LYS A 112 -8.316 -15.952 3.818 1.00 0.00 C ATOM 1418 CE LYS A 112 -8.306 -16.447 2.380 1.00 0.00 C ATOM 1419 NZ LYS A 112 -9.618 -17.036 1.988 1.00 0.00 N ATOM 0 H LYS A 112 -5.634 -15.834 7.105 1.00 0.00 H new ATOM 0 HA LYS A 112 -4.851 -14.043 4.965 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -7.494 -14.870 6.215 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.387 -13.676 4.938 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.274 -15.384 3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -6.484 -16.572 4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -8.786 -16.699 4.458 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -8.919 -15.047 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.065 -15.620 1.713 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.521 -17.194 2.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -9.571 -17.362 1.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -9.836 -17.841 2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -10.363 -16.316 2.080 1.00 0.00 H new ATOM 1433 N ILE A 113 -4.963 -11.816 6.021 1.00 0.00 N ATOM 1434 CA ILE A 113 -4.946 -10.501 6.650 1.00 0.00 C ATOM 1435 C ILE A 113 -5.586 -9.452 5.747 1.00 0.00 C ATOM 1436 O ILE A 113 -5.434 -9.492 4.526 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.511 -10.060 6.995 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.720 -11.232 7.579 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.536 -8.892 7.970 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.264 -10.912 7.832 1.00 0.00 C ATOM 0 H ILE A 113 -4.492 -11.857 5.117 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.522 -10.584 7.571 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.017 -9.734 6.080 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.184 -11.542 8.516 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.784 -12.079 6.896 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.515 -8.592 8.204 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.067 -8.053 7.519 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.045 -9.193 8.886 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.765 -11.788 8.246 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.785 -10.631 6.894 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.191 -10.085 8.539 1.00 0.00 H new ATOM 1452 N THR A 114 -6.301 -8.511 6.357 1.00 0.00 N ATOM 1453 CA THR A 114 -6.964 -7.451 5.609 1.00 0.00 C ATOM 1454 C THR A 114 -6.068 -6.225 5.482 1.00 0.00 C ATOM 1455 O THR A 114 -5.795 -5.537 6.467 1.00 0.00 O ATOM 1456 CB THR A 114 -8.289 -7.036 6.276 1.00 0.00 C ATOM 1457 OG1 THR A 114 -9.022 -8.200 6.674 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.133 -6.198 5.327 1.00 0.00 C ATOM 0 H THR A 114 -6.435 -8.462 7.367 1.00 0.00 H new ATOM 0 HA THR A 114 -7.174 -7.849 4.616 1.00 0.00 H new ATOM 0 HB THR A 114 -8.056 -6.436 7.155 1.00 0.00 H new ATOM 0 HG1 THR A 114 -9.862 -7.928 7.099 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.064 -5.917 5.820 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.583 -5.299 5.049 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.357 -6.777 4.431 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.610 -5.956 4.264 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.743 -4.811 4.008 1.00 0.00 C ATOM 1468 C LEU A 115 -5.535 -3.649 3.418 1.00 0.00 C ATOM 1469 O LEU A 115 -6.358 -3.837 2.522 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.611 -5.206 3.058 1.00 0.00 C ATOM 1471 CG LEU A 115 -2.967 -6.569 3.310 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -1.842 -6.820 2.319 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -2.452 -6.660 4.739 1.00 0.00 C ATOM 0 H LEU A 115 -5.825 -6.515 3.438 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.316 -4.490 4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -3.998 -5.192 2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.834 -4.444 3.114 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.726 -7.339 3.169 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.396 -7.795 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.240 -6.800 1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.083 -6.045 2.427 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -1.997 -7.637 4.900 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.709 -5.881 4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.281 -6.527 5.434 1.00 0.00 H new ATOM 1485 N TYR A 116 -5.280 -2.448 3.924 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.969 -1.255 3.448 1.00 0.00 C ATOM 1487 C TYR A 116 -5.018 -0.348 2.675 1.00 0.00 C ATOM 1488 O TYR A 116 -3.963 0.038 3.179 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.580 -0.490 4.624 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.889 -1.069 5.110 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -7.916 -2.222 5.884 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -9.099 -0.464 4.795 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -9.109 -2.756 6.330 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -10.297 -0.990 5.238 1.00 0.00 C ATOM 1495 CZ TYR A 116 -10.297 -2.136 6.004 1.00 0.00 C ATOM 1496 OH TYR A 116 -11.488 -2.664 6.448 1.00 0.00 O ATOM 0 H TYR A 116 -4.600 -2.275 4.665 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.766 -1.571 2.775 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.868 -0.481 5.449 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.739 0.547 4.328 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.987 -2.710 6.142 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.103 0.433 4.193 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -9.112 -3.654 6.930 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.229 -0.506 4.986 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.230 -2.108 6.132 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.399 -0.010 1.448 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.581 0.854 0.603 1.00 0.00 C ATOM 1508 C LEU A 117 -5.092 2.291 0.636 1.00 0.00 C ATOM 1509 O LEU A 117 -6.277 2.543 0.429 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.577 0.335 -0.836 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.631 -0.832 -1.126 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.211 -2.133 -0.594 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.358 -0.938 -2.620 1.00 0.00 C ATOM 0 H LEU A 117 -6.269 -0.321 1.016 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.562 0.842 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.591 0.027 -1.093 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.317 1.161 -1.498 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.686 -0.645 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.525 -2.952 -0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.355 -2.054 0.484 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.170 -2.327 -1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.683 -1.773 -2.808 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.296 -1.102 -3.150 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.899 -0.014 -2.972 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.187 3.229 0.896 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.546 4.641 0.954 1.00 0.00 C ATOM 1527 C ASN A 118 -3.748 5.448 -0.065 1.00 0.00 C ATOM 1528 O ASN A 118 -2.560 5.202 -0.275 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.302 5.193 2.360 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.463 4.922 3.298 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -5.325 4.196 4.283 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -6.616 5.507 2.995 1.00 0.00 N ATOM 0 H ASN A 118 -3.200 3.037 1.070 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.605 4.731 0.713 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.396 4.747 2.770 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.130 6.268 2.301 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -7.433 5.362 3.589 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -6.685 6.101 2.169 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.410 6.412 -0.697 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.763 7.254 -1.696 1.00 0.00 C ATOM 1541 C PHE A 119 -2.745 8.186 -1.045 1.00 0.00 C ATOM 1542 O PHE A 119 -3.080 8.964 -0.151 1.00 0.00 O ATOM 1543 CB PHE A 119 -4.808 8.074 -2.455 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.584 7.272 -3.461 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -4.928 6.545 -4.442 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -6.969 7.246 -3.426 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.639 5.807 -5.369 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.684 6.508 -4.350 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.019 5.788 -5.324 1.00 0.00 C ATOM 0 H PHE A 119 -5.393 6.629 -0.535 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.239 6.605 -2.398 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.502 8.514 -1.740 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.311 8.899 -2.965 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.849 6.555 -4.482 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.495 7.808 -2.669 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.116 5.245 -6.128 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -8.763 6.494 -4.311 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.577 5.212 -6.048 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.499 8.101 -1.499 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.430 8.935 -0.962 1.00 0.00 C ATOM 1561 C VAL A 120 0.294 9.683 -2.075 1.00 0.00 C ATOM 1562 O VAL A 120 0.438 9.174 -3.186 1.00 0.00 O ATOM 1563 CB VAL A 120 0.592 8.098 -0.171 1.00 0.00 C ATOM 1564 CG1 VAL A 120 -0.094 7.348 0.961 1.00 0.00 C ATOM 1565 CG2 VAL A 120 1.321 7.135 -1.096 1.00 0.00 C ATOM 0 H VAL A 120 -1.205 7.463 -2.238 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.897 9.654 -0.289 1.00 0.00 H new ATOM 0 HB VAL A 120 1.328 8.773 0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.644 6.762 1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.565 8.061 1.637 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.853 6.682 0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.040 6.551 -0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.600 6.464 -1.564 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.846 7.699 -1.867 1.00 0.00 H new ATOM 1575 N GLU A 121 0.749 10.894 -1.769 1.00 0.00 N ATOM 1576 CA GLU A 121 1.460 11.713 -2.744 1.00 0.00 C ATOM 1577 C GLU A 121 2.939 11.824 -2.387 1.00 0.00 C ATOM 1578 O GLU A 121 3.805 11.811 -3.263 1.00 0.00 O ATOM 1579 CB GLU A 121 0.837 13.108 -2.822 1.00 0.00 C ATOM 1580 CG GLU A 121 0.780 13.825 -1.485 1.00 0.00 C ATOM 1581 CD GLU A 121 0.390 15.284 -1.621 1.00 0.00 C ATOM 1582 OE1 GLU A 121 1.011 15.989 -2.443 1.00 0.00 O ATOM 1583 OE2 GLU A 121 -0.536 15.721 -0.905 1.00 0.00 O ATOM 0 H GLU A 121 0.638 11.330 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 121 1.375 11.230 -3.717 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.409 13.713 -3.525 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.173 13.024 -3.223 1.00 0.00 H new ATOM 0 HG2 GLU A 121 0.064 13.320 -0.837 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.753 13.757 -0.999 1.00 0.00 H new ATOM 1590 N LYS A 122 3.223 11.934 -1.093 1.00 0.00 N ATOM 1591 CA LYS A 122 4.597 12.047 -0.618 1.00 0.00 C ATOM 1592 C LYS A 122 5.042 10.761 0.070 1.00 0.00 C ATOM 1593 O LYS A 122 4.388 10.283 0.999 1.00 0.00 O ATOM 1594 CB LYS A 122 4.729 13.226 0.348 1.00 0.00 C ATOM 1595 CG LYS A 122 4.974 14.555 -0.345 1.00 0.00 C ATOM 1596 CD LYS A 122 4.992 15.707 0.647 1.00 0.00 C ATOM 1597 CE LYS A 122 4.790 17.044 -0.048 1.00 0.00 C ATOM 1598 NZ LYS A 122 5.415 18.163 0.710 1.00 0.00 N ATOM 0 H LYS A 122 2.519 11.947 -0.355 1.00 0.00 H new ATOM 0 HA LYS A 122 5.240 12.218 -1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 122 3.820 13.299 0.945 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.549 13.029 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 122 5.924 14.518 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.197 14.727 -1.089 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.209 15.560 1.391 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.942 15.713 1.182 1.00 0.00 H new ATOM 0 HE2 LYS A 122 5.217 17.001 -1.050 1.00 0.00 H new ATOM 0 HE3 LYS A 122 3.723 17.235 -0.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 5.255 19.057 0.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 4.990 18.221 1.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 6.437 17.994 0.799 1.00 0.00 H new ATOM 1612 N VAL A 123 6.158 10.204 -0.389 1.00 0.00 N ATOM 1613 CA VAL A 123 6.691 8.975 0.185 1.00 0.00 C ATOM 1614 C VAL A 123 8.214 9.015 0.253 1.00 0.00 C ATOM 1615 O VAL A 123 8.868 9.574 -0.626 1.00 0.00 O ATOM 1616 CB VAL A 123 6.258 7.741 -0.629 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.901 6.481 -0.073 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.742 7.616 -0.640 1.00 0.00 C ATOM 0 H VAL A 123 6.711 10.585 -1.157 1.00 0.00 H new ATOM 0 HA VAL A 123 6.286 8.896 1.194 1.00 0.00 H new ATOM 0 HB VAL A 123 6.597 7.869 -1.657 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.583 5.620 -0.661 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.986 6.574 -0.123 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.596 6.344 0.964 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.453 6.739 -1.219 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.378 7.511 0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.307 8.508 -1.091 1.00 0.00 H new ATOM 1628 N GLN A 124 8.769 8.418 1.302 1.00 0.00 N ATOM 1629 CA GLN A 124 10.217 8.388 1.485 1.00 0.00 C ATOM 1630 C GLN A 124 10.852 7.312 0.610 1.00 0.00 C ATOM 1631 O GLN A 124 11.396 6.329 1.116 1.00 0.00 O ATOM 1632 CB GLN A 124 10.561 8.137 2.954 1.00 0.00 C ATOM 1633 CG GLN A 124 10.136 9.265 3.879 1.00 0.00 C ATOM 1634 CD GLN A 124 10.601 9.056 5.307 1.00 0.00 C ATOM 1635 OE1 GLN A 124 11.510 8.268 5.567 1.00 0.00 O ATOM 1636 NE2 GLN A 124 9.979 9.764 6.242 1.00 0.00 N ATOM 0 H GLN A 124 8.240 7.949 2.038 1.00 0.00 H new ATOM 0 HA GLN A 124 10.617 9.357 1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 124 10.082 7.213 3.278 1.00 0.00 H new ATOM 0 HB3 GLN A 124 11.637 7.988 3.046 1.00 0.00 H new ATOM 0 HG2 GLN A 124 10.537 10.207 3.505 1.00 0.00 H new ATOM 0 HG3 GLN A 124 9.050 9.352 3.864 1.00 0.00 H new ATOM 0 HE21 GLN A 124 9.230 10.406 5.982 1.00 0.00 H new ATOM 0 HE22 GLN A 124 10.250 9.666 7.220 1.00 0.00 H new ATOM 1645 N TRP A 125 10.780 7.503 -0.701 1.00 0.00 N ATOM 1646 CA TRP A 125 11.349 6.548 -1.646 1.00 0.00 C ATOM 1647 C TRP A 125 12.851 6.402 -1.434 1.00 0.00 C ATOM 1648 O TRP A 125 13.551 7.386 -1.195 1.00 0.00 O ATOM 1649 CB TRP A 125 11.063 6.989 -3.083 1.00 0.00 C ATOM 1650 CG TRP A 125 9.600 7.068 -3.400 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.857 8.202 -3.562 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.704 5.968 -3.592 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.553 7.874 -3.843 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.434 6.509 -3.868 1.00 0.00 C ATOM 1655 CE3 TRP A 125 8.852 4.579 -3.560 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.320 5.709 -4.108 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.746 3.785 -3.799 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.493 4.352 -4.071 1.00 0.00 C ATOM 0 H TRP A 125 10.333 8.311 -1.135 1.00 0.00 H new ATOM 0 HA TRP A 125 10.881 5.579 -1.472 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.518 7.965 -3.253 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.539 6.291 -3.771 1.00 0.00 H new ATOM 0 HD1 TRP A 125 9.239 9.209 -3.481 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.796 8.538 -4.006 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.814 4.134 -3.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.354 6.144 -4.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 7.849 2.710 -3.776 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.648 3.705 -4.255 1.00 0.00 H new ATOM 1669 N SER A 126 13.340 5.170 -1.526 1.00 0.00 N ATOM 1670 CA SER A 126 14.761 4.896 -1.341 1.00 0.00 C ATOM 1671 C SER A 126 15.371 4.310 -2.611 1.00 0.00 C ATOM 1672 O SER A 126 16.252 4.910 -3.224 1.00 0.00 O ATOM 1673 CB SER A 126 14.968 3.933 -0.170 1.00 0.00 C ATOM 1674 OG SER A 126 16.326 3.541 -0.067 1.00 0.00 O ATOM 0 H SER A 126 12.774 4.346 -1.727 1.00 0.00 H new ATOM 0 HA SER A 126 15.262 5.838 -1.120 1.00 0.00 H new ATOM 0 HB2 SER A 126 14.652 4.410 0.758 1.00 0.00 H new ATOM 0 HB3 SER A 126 14.341 3.052 -0.304 1.00 0.00 H new ATOM 0 HG SER A 126 16.433 2.927 0.690 1.00 0.00 H new ATOM 1680 N GLY A 127 14.893 3.131 -2.999 1.00 0.00 N ATOM 1681 CA GLY A 127 15.402 2.481 -4.193 1.00 0.00 C ATOM 1682 C GLY A 127 15.791 1.037 -3.946 1.00 0.00 C ATOM 1683 O GLY A 127 15.319 0.396 -3.007 1.00 0.00 O ATOM 0 H GLY A 127 14.163 2.615 -2.508 1.00 0.00 H new ATOM 0 HA2 GLY A 127 14.644 2.521 -4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 127 16.269 3.030 -4.560 1.00 0.00 H new ATOM 1687 N PRO A 128 16.670 0.502 -4.806 1.00 0.00 N ATOM 1688 CA PRO A 128 17.140 -0.883 -4.699 1.00 0.00 C ATOM 1689 C PRO A 128 18.045 -1.095 -3.489 1.00 0.00 C ATOM 1690 O PRO A 128 17.870 -2.051 -2.732 1.00 0.00 O ATOM 1691 CB PRO A 128 17.925 -1.093 -5.996 1.00 0.00 C ATOM 1692 CG PRO A 128 18.363 0.273 -6.399 1.00 0.00 C ATOM 1693 CD PRO A 128 17.274 1.207 -5.949 1.00 0.00 C ATOM 0 HA PRO A 128 16.316 -1.584 -4.565 1.00 0.00 H new ATOM 0 HB2 PRO A 128 18.779 -1.752 -5.840 1.00 0.00 H new ATOM 0 HB3 PRO A 128 17.304 -1.552 -6.765 1.00 0.00 H new ATOM 0 HG2 PRO A 128 19.315 0.531 -5.934 1.00 0.00 H new ATOM 0 HG3 PRO A 128 18.508 0.334 -7.478 1.00 0.00 H new ATOM 0 HD2 PRO A 128 17.673 2.178 -5.657 1.00 0.00 H new ATOM 0 HD3 PRO A 128 16.546 1.387 -6.740 1.00 0.00 H new ATOM 1701 N SER A 129 19.009 -0.198 -3.312 1.00 0.00 N ATOM 1702 CA SER A 129 19.943 -0.291 -2.196 1.00 0.00 C ATOM 1703 C SER A 129 20.856 0.931 -2.150 1.00 0.00 C ATOM 1704 O SER A 129 21.624 1.181 -3.080 1.00 0.00 O ATOM 1705 CB SER A 129 20.782 -1.565 -2.309 1.00 0.00 C ATOM 1706 OG SER A 129 21.229 -1.995 -1.035 1.00 0.00 O ATOM 0 H SER A 129 19.164 0.601 -3.927 1.00 0.00 H new ATOM 0 HA SER A 129 19.365 -0.327 -1.273 1.00 0.00 H new ATOM 0 HB2 SER A 129 20.191 -2.353 -2.776 1.00 0.00 H new ATOM 0 HB3 SER A 129 21.640 -1.383 -2.957 1.00 0.00 H new ATOM 0 HG SER A 129 21.761 -2.812 -1.134 1.00 0.00 H new ATOM 1712 N SER A 130 20.768 1.687 -1.060 1.00 0.00 N ATOM 1713 CA SER A 130 21.584 2.884 -0.893 1.00 0.00 C ATOM 1714 C SER A 130 23.025 2.517 -0.556 1.00 0.00 C ATOM 1715 O SER A 130 23.383 2.372 0.612 1.00 0.00 O ATOM 1716 CB SER A 130 21.001 3.774 0.206 1.00 0.00 C ATOM 1717 OG SER A 130 19.944 4.576 -0.292 1.00 0.00 O ATOM 0 H SER A 130 20.140 1.492 -0.280 1.00 0.00 H new ATOM 0 HA SER A 130 21.579 3.432 -1.835 1.00 0.00 H new ATOM 0 HB2 SER A 130 20.636 3.154 1.025 1.00 0.00 H new ATOM 0 HB3 SER A 130 21.784 4.412 0.615 1.00 0.00 H new ATOM 0 HG SER A 130 19.588 5.134 0.431 1.00 0.00 H new ATOM 1723 N GLY A 131 23.849 2.370 -1.589 1.00 0.00 N ATOM 1724 CA GLY A 131 25.242 2.022 -1.382 1.00 0.00 C ATOM 1725 C GLY A 131 26.188 3.114 -1.840 1.00 0.00 C ATOM 1726 O GLY A 131 27.283 2.833 -2.325 1.00 0.00 O ATOM 0 H GLY A 131 23.576 2.486 -2.565 1.00 0.00 H new ATOM 0 HA2 GLY A 131 25.409 1.821 -0.324 1.00 0.00 H new ATOM 0 HA3 GLY A 131 25.467 1.102 -1.921 1.00 0.00 H new TER 1730 GLY A 131