USER MOD reduce.3.24.130724 H: found=0, std=0, add=949, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 943 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 98 ASN : amide:sc= -1.53 K(o=-3.8,f=-5.4!) USER MOD Set 1.2: A 124 ASN : amide:sc= -2.28 K(o=-3.8,f=-9.7!) USER MOD Set 2.1: A 75 THR OG1 : rot 82:sc= 0.434 USER MOD Set 2.2: A 88 HIS : no HD1:sc= -0.747 K(o=-0.31,f=2.1) USER MOD Set 3.1: A 31 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-0.3) USER MOD Set 3.2: A 46 SER OG : rot 180:sc= -0.0225 USER MOD Set 4.1: A 5 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 106 THR OG1 : rot -130:sc= 0.664 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0868 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 17:sc= 0.855 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 117:sc= -0.132 USER MOD Single : A 13 MET CE :methyl -126:sc= -1.75 (180deg=-3.26!) USER MOD Single : A 15 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.032) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -3.44! K(o=-3.4!,f=-0.35) USER MOD Single : A 35 LYS NZ :NH3+ 137:sc= -0.834 (180deg=-3.78!) USER MOD Single : A 40 THR OG1 : rot 180:sc=-0.00191 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 135:sc= 0.00415 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -114:sc= 1.25 USER MOD Single : A 56 HIS : no HD1:sc= -0.792 K(o=-0.79,f=-0.19) USER MOD Single : A 59 THR OG1 : rot -167:sc= 0.773 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot 16:sc= 0.761 USER MOD Single : A 70 LYS NZ :NH3+ -122:sc= 0.912 (180deg=-0.214) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 136:sc= -0.742 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.465 X(o=-0.46,f=-0.0094) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 MET CE :methyl -163:sc=-0.000899 (180deg=-0.236) USER MOD Single : A 112 SER OG : rot 180:sc= -0.512 USER MOD Single : A 114 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 117 SER OG : rot 180:sc= -0.0647 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 MET CE :methyl -131:sc= -4.35! (180deg=-9.73!) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0468) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.282 -5.695 -4.321 1.00 74.13 N ATOM 2 CA GLY A 1 -0.385 -4.910 -3.300 1.00 34.14 C ATOM 3 C GLY A 1 0.452 -3.737 -2.830 1.00 1.51 C ATOM 4 O GLY A 1 1.627 -3.606 -3.178 1.00 72.31 O ATOM 0 H1 GLY A 1 -0.307 -5.723 -5.177 1.00 74.13 H new ATOM 0 H2 GLY A 1 1.200 -5.262 -4.547 1.00 74.13 H new ATOM 0 H3 GLY A 1 0.432 -6.663 -3.972 1.00 74.13 H new ATOM 0 HA2 GLY A 1 -1.333 -4.542 -3.691 1.00 34.14 H new ATOM 0 HA3 GLY A 1 -0.618 -5.550 -2.449 1.00 34.14 H new ATOM 8 N PRO A 2 -0.156 -2.855 -2.022 1.00 21.03 N ATOM 9 CA PRO A 2 0.522 -1.671 -1.488 1.00 2.31 C ATOM 10 C PRO A 2 1.587 -2.028 -0.458 1.00 61.30 C ATOM 11 O PRO A 2 2.688 -1.475 -0.469 1.00 14.21 O ATOM 12 CB PRO A 2 -0.611 -0.878 -0.833 1.00 23.42 C ATOM 13 CG PRO A 2 -1.641 -1.899 -0.494 1.00 33.11 C ATOM 14 CD PRO A 2 -1.554 -2.948 -1.568 1.00 34.03 C ATOM 0 HA PRO A 2 1.052 -1.120 -2.265 1.00 2.31 H new ATOM 0 HB2 PRO A 2 -0.264 -0.355 0.058 1.00 23.42 H new ATOM 0 HB3 PRO A 2 -1.010 -0.123 -1.511 1.00 23.42 H new ATOM 0 HG2 PRO A 2 -1.454 -2.331 0.489 1.00 33.11 H new ATOM 0 HG3 PRO A 2 -2.636 -1.454 -0.463 1.00 33.11 H new ATOM 0 HD2 PRO A 2 -1.786 -3.940 -1.181 1.00 34.03 H new ATOM 0 HD3 PRO A 2 -2.254 -2.751 -2.380 1.00 34.03 H new ATOM 22 N THR A 3 1.256 -2.958 0.432 1.00 23.42 N ATOM 23 CA THR A 3 2.183 -3.389 1.471 1.00 41.32 C ATOM 24 C THR A 3 2.007 -4.869 1.785 1.00 20.13 C ATOM 25 O THR A 3 0.923 -5.309 2.166 1.00 54.11 O ATOM 26 CB THR A 3 1.995 -2.575 2.765 1.00 33.42 C ATOM 27 OG1 THR A 3 0.766 -2.940 3.400 1.00 11.12 O ATOM 28 CG2 THR A 3 1.995 -1.082 2.471 1.00 11.31 C ATOM 0 H THR A 3 0.351 -3.428 0.454 1.00 23.42 H new ATOM 0 HA THR A 3 3.189 -3.219 1.087 1.00 41.32 H new ATOM 0 HB THR A 3 2.828 -2.798 3.431 1.00 33.42 H new ATOM 0 HG1 THR A 3 0.449 -3.792 3.034 1.00 11.12 H new ATOM 0 HG21 THR A 3 1.861 -0.528 3.400 1.00 11.31 H new ATOM 0 HG22 THR A 3 2.944 -0.801 2.015 1.00 11.31 H new ATOM 0 HG23 THR A 3 1.180 -0.846 1.787 1.00 11.31 H new ATOM 36 N GLY A 4 3.081 -5.637 1.623 1.00 1.33 N ATOM 37 CA GLY A 4 3.023 -7.061 1.896 1.00 1.34 C ATOM 38 C GLY A 4 4.358 -7.618 2.351 1.00 45.41 C ATOM 39 O GLY A 4 4.935 -8.486 1.693 1.00 60.11 O ATOM 0 H GLY A 4 3.990 -5.298 1.308 1.00 1.33 H new ATOM 0 HA2 GLY A 4 2.273 -7.251 2.664 1.00 1.34 H new ATOM 0 HA3 GLY A 4 2.700 -7.587 0.998 1.00 1.34 H new ATOM 43 N THR A 5 4.851 -7.119 3.479 1.00 12.54 N ATOM 44 CA THR A 5 6.127 -7.571 4.021 1.00 74.23 C ATOM 45 C THR A 5 6.360 -7.011 5.420 1.00 64.14 C ATOM 46 O THR A 5 6.287 -5.802 5.635 1.00 14.45 O ATOM 47 CB THR A 5 7.301 -7.156 3.112 1.00 71.41 C ATOM 48 OG1 THR A 5 8.545 -7.383 3.785 1.00 32.23 O ATOM 49 CG2 THR A 5 7.191 -5.691 2.720 1.00 53.45 C ATOM 0 H THR A 5 4.387 -6.402 4.036 1.00 12.54 H new ATOM 0 HA THR A 5 6.082 -8.659 4.071 1.00 74.23 H new ATOM 0 HB THR A 5 7.262 -7.761 2.206 1.00 71.41 H new ATOM 0 HG1 THR A 5 9.286 -7.118 3.201 1.00 32.23 H new ATOM 0 HG21 THR A 5 8.030 -5.422 2.079 1.00 53.45 H new ATOM 0 HG22 THR A 5 6.257 -5.527 2.183 1.00 53.45 H new ATOM 0 HG23 THR A 5 7.207 -5.072 3.617 1.00 53.45 H new ATOM 57 N GLY A 6 6.641 -7.899 6.368 1.00 24.13 N ATOM 58 CA GLY A 6 6.881 -7.474 7.734 1.00 71.40 C ATOM 59 C GLY A 6 8.340 -7.587 8.130 1.00 43.52 C ATOM 60 O GLY A 6 9.227 -7.495 7.282 1.00 52.21 O ATOM 0 H GLY A 6 6.707 -8.905 6.214 1.00 24.13 H new ATOM 0 HA2 GLY A 6 6.555 -6.441 7.852 1.00 71.40 H new ATOM 0 HA3 GLY A 6 6.277 -8.078 8.410 1.00 71.40 H new ATOM 64 N GLU A 7 8.589 -7.786 9.420 1.00 62.41 N ATOM 65 CA GLU A 7 9.952 -7.910 9.925 1.00 61.05 C ATOM 66 C GLU A 7 10.725 -8.971 9.150 1.00 62.33 C ATOM 67 O GLU A 7 10.135 -9.831 8.496 1.00 20.21 O ATOM 68 CB GLU A 7 9.937 -8.259 11.415 1.00 41.31 C ATOM 69 CG GLU A 7 10.738 -7.294 12.274 1.00 34.13 C ATOM 70 CD GLU A 7 10.873 -7.766 13.709 1.00 31.31 C ATOM 71 OE1 GLU A 7 10.026 -8.570 14.151 1.00 35.02 O1- ATOM 72 OE2 GLU A 7 11.826 -7.332 14.389 1.00 50.32 O ATOM 0 H GLU A 7 7.865 -7.865 10.135 1.00 62.41 H new ATOM 0 HA GLU A 7 10.452 -6.951 9.789 1.00 61.05 H new ATOM 0 HB2 GLU A 7 8.905 -8.274 11.766 1.00 41.31 H new ATOM 0 HB3 GLU A 7 10.333 -9.266 11.548 1.00 41.31 H new ATOM 0 HG2 GLU A 7 11.731 -7.167 11.842 1.00 34.13 H new ATOM 0 HG3 GLU A 7 10.257 -6.316 12.261 1.00 34.13 H new ATOM 79 N SER A 8 12.050 -8.903 9.226 1.00 11.13 N ATOM 80 CA SER A 8 12.906 -9.856 8.528 1.00 73.41 C ATOM 81 C SER A 8 14.280 -9.937 9.186 1.00 2.22 C ATOM 82 O SER A 8 14.662 -9.060 9.961 1.00 44.50 O ATOM 83 CB SER A 8 13.056 -9.457 7.058 1.00 62.10 C ATOM 84 OG SER A 8 14.017 -8.428 6.904 1.00 14.33 O ATOM 0 H SER A 8 12.554 -8.198 9.764 1.00 11.13 H new ATOM 0 HA SER A 8 12.436 -10.838 8.586 1.00 73.41 H new ATOM 0 HB2 SER A 8 13.352 -10.326 6.471 1.00 62.10 H new ATOM 0 HB3 SER A 8 12.094 -9.122 6.669 1.00 62.10 H new ATOM 0 HG SER A 8 14.095 -8.193 5.956 1.00 14.33 H new ATOM 90 N LYS A 9 15.018 -10.996 8.873 1.00 44.32 N ATOM 91 CA LYS A 9 16.350 -11.193 9.432 1.00 23.33 C ATOM 92 C LYS A 9 17.392 -11.319 8.325 1.00 33.34 C ATOM 93 O LYS A 9 18.335 -10.530 8.255 1.00 14.24 O ATOM 94 CB LYS A 9 16.375 -12.444 10.315 1.00 44.14 C ATOM 95 CG LYS A 9 17.651 -12.591 11.124 1.00 44.04 C ATOM 96 CD LYS A 9 17.562 -13.753 12.099 1.00 2.52 C ATOM 97 CE LYS A 9 16.885 -13.340 13.398 1.00 53.35 C ATOM 98 NZ LYS A 9 17.843 -12.706 14.345 1.00 32.34 N1+ ATOM 0 H LYS A 9 14.716 -11.732 8.235 1.00 44.32 H new ATOM 0 HA LYS A 9 16.594 -10.321 10.039 1.00 23.33 H new ATOM 0 HB2 LYS A 9 15.524 -12.415 10.996 1.00 44.14 H new ATOM 0 HB3 LYS A 9 16.250 -13.325 9.686 1.00 44.14 H new ATOM 0 HG2 LYS A 9 18.494 -12.744 10.451 1.00 44.04 H new ATOM 0 HG3 LYS A 9 17.844 -11.669 11.672 1.00 44.04 H new ATOM 0 HD2 LYS A 9 17.006 -14.571 11.642 1.00 2.52 H new ATOM 0 HD3 LYS A 9 18.563 -14.128 12.312 1.00 2.52 H new ATOM 0 HE2 LYS A 9 16.075 -12.644 13.180 1.00 53.35 H new ATOM 0 HE3 LYS A 9 16.435 -14.215 13.867 1.00 53.35 H new ATOM 0 HZ1 LYS A 9 17.344 -12.439 15.217 1.00 32.34 H new ATOM 0 HZ2 LYS A 9 18.602 -13.379 14.573 1.00 32.34 H new ATOM 0 HZ3 LYS A 9 18.253 -11.857 13.907 1.00 32.34 H new ATOM 112 N CYS A 10 17.214 -12.313 7.462 1.00 72.52 N ATOM 113 CA CYS A 10 18.139 -12.541 6.357 1.00 50.34 C ATOM 114 C CYS A 10 18.356 -11.261 5.556 1.00 44.02 C ATOM 115 O CYS A 10 17.520 -10.356 5.547 1.00 44.02 O ATOM 116 CB CYS A 10 17.610 -13.646 5.442 1.00 33.40 C ATOM 117 SG CYS A 10 15.889 -13.424 4.935 1.00 22.45 S ATOM 0 H CYS A 10 16.438 -12.974 7.506 1.00 72.52 H new ATOM 0 HA CYS A 10 19.096 -12.853 6.775 1.00 50.34 H new ATOM 0 HB2 CYS A 10 18.236 -13.696 4.551 1.00 33.40 H new ATOM 0 HB3 CYS A 10 17.706 -14.604 5.954 1.00 33.40 H new ATOM 0 HG CYS A 10 15.833 -13.269 3.646 1.00 22.45 H new ATOM 123 N PRO A 11 19.504 -11.180 4.869 1.00 41.21 N ATOM 124 CA PRO A 11 19.858 -10.014 4.054 1.00 32.44 C ATOM 125 C PRO A 11 18.989 -9.894 2.806 1.00 33.11 C ATOM 126 O PRO A 11 18.836 -8.807 2.247 1.00 40.40 O ATOM 127 CB PRO A 11 21.315 -10.281 3.667 1.00 52.53 C ATOM 128 CG PRO A 11 21.458 -11.763 3.731 1.00 50.33 C ATOM 129 CD PRO A 11 20.545 -12.220 4.835 1.00 12.12 C ATOM 0 HA PRO A 11 19.711 -9.079 4.594 1.00 32.44 H new ATOM 0 HB2 PRO A 11 21.535 -9.905 2.668 1.00 52.53 H new ATOM 0 HB3 PRO A 11 22.004 -9.787 4.352 1.00 52.53 H new ATOM 0 HG2 PRO A 11 21.183 -12.223 2.782 1.00 50.33 H new ATOM 0 HG3 PRO A 11 22.490 -12.047 3.936 1.00 50.33 H new ATOM 0 HD2 PRO A 11 20.124 -13.204 4.627 1.00 12.12 H new ATOM 0 HD3 PRO A 11 21.071 -12.293 5.787 1.00 12.12 H new ATOM 137 N LEU A 12 18.422 -11.015 2.376 1.00 24.44 N ATOM 138 CA LEU A 12 17.567 -11.036 1.194 1.00 13.33 C ATOM 139 C LEU A 12 16.354 -11.933 1.414 1.00 62.23 C ATOM 140 O LEU A 12 16.493 -13.115 1.731 1.00 61.54 O ATOM 141 CB LEU A 12 18.358 -11.517 -0.023 1.00 1.41 C ATOM 142 CG LEU A 12 17.910 -10.964 -1.376 1.00 23.13 C ATOM 143 CD1 LEU A 12 18.771 -11.528 -2.496 1.00 43.24 C ATOM 144 CD2 LEU A 12 16.441 -11.278 -1.622 1.00 3.34 C ATOM 0 H LEU A 12 18.539 -11.922 2.828 1.00 24.44 H new ATOM 0 HA LEU A 12 17.215 -10.020 1.013 1.00 13.33 H new ATOM 0 HB2 LEU A 12 19.406 -11.257 0.124 1.00 1.41 H new ATOM 0 HB3 LEU A 12 18.302 -12.605 -0.061 1.00 1.41 H new ATOM 0 HG LEU A 12 18.032 -9.881 -1.361 1.00 23.13 H new ATOM 0 HD11 LEU A 12 18.437 -11.123 -3.451 1.00 43.24 H new ATOM 0 HD12 LEU A 12 19.812 -11.252 -2.329 1.00 43.24 H new ATOM 0 HD13 LEU A 12 18.682 -12.614 -2.512 1.00 43.24 H new ATOM 0 HD21 LEU A 12 16.140 -10.877 -2.590 1.00 3.34 H new ATOM 0 HD22 LEU A 12 16.294 -12.358 -1.616 1.00 3.34 H new ATOM 0 HD23 LEU A 12 15.836 -10.825 -0.837 1.00 3.34 H new ATOM 156 N MET A 13 15.165 -11.366 1.243 1.00 42.14 N ATOM 157 CA MET A 13 13.928 -12.116 1.419 1.00 33.41 C ATOM 158 C MET A 13 13.403 -12.624 0.080 1.00 40.04 C ATOM 159 O MET A 13 13.258 -11.857 -0.872 1.00 53.03 O ATOM 160 CB MET A 13 12.869 -11.244 2.098 1.00 72.22 C ATOM 161 CG MET A 13 11.797 -12.042 2.822 1.00 31.44 C ATOM 162 SD MET A 13 10.295 -11.087 3.110 1.00 1.33 S ATOM 163 CE MET A 13 9.083 -12.099 2.265 1.00 15.23 C ATOM 0 H MET A 13 15.032 -10.389 0.983 1.00 42.14 H new ATOM 0 HA MET A 13 14.142 -12.976 2.054 1.00 33.41 H new ATOM 0 HB2 MET A 13 13.359 -10.580 2.810 1.00 72.22 H new ATOM 0 HB3 MET A 13 12.395 -10.612 1.347 1.00 72.22 H new ATOM 0 HG2 MET A 13 11.552 -12.929 2.237 1.00 31.44 H new ATOM 0 HG3 MET A 13 12.191 -12.389 3.777 1.00 31.44 H new ATOM 0 HE1 MET A 13 8.538 -11.489 1.544 1.00 15.23 H new ATOM 0 HE2 MET A 13 9.588 -12.912 1.744 1.00 15.23 H new ATOM 0 HE3 MET A 13 8.384 -12.513 2.992 1.00 15.23 H new ATOM 173 N VAL A 14 13.120 -13.921 0.013 1.00 0.34 N ATOM 174 CA VAL A 14 12.611 -14.530 -1.209 1.00 54.11 C ATOM 175 C VAL A 14 11.183 -15.032 -1.020 1.00 75.31 C ATOM 176 O VAL A 14 10.938 -15.970 -0.262 1.00 44.51 O ATOM 177 CB VAL A 14 13.500 -15.704 -1.664 1.00 71.42 C ATOM 178 CG1 VAL A 14 13.047 -16.221 -3.021 1.00 65.25 C ATOM 179 CG2 VAL A 14 14.960 -15.280 -1.705 1.00 54.20 C ATOM 0 H VAL A 14 13.235 -14.570 0.791 1.00 0.34 H new ATOM 0 HA VAL A 14 12.623 -13.756 -1.977 1.00 54.11 H new ATOM 0 HB VAL A 14 13.401 -16.515 -0.942 1.00 71.42 H new ATOM 0 HG11 VAL A 14 13.686 -17.050 -3.326 1.00 65.25 H new ATOM 0 HG12 VAL A 14 12.015 -16.565 -2.953 1.00 65.25 H new ATOM 0 HG13 VAL A 14 13.115 -15.420 -3.757 1.00 65.25 H new ATOM 0 HG21 VAL A 14 15.574 -16.121 -2.028 1.00 54.20 H new ATOM 0 HG22 VAL A 14 15.079 -14.453 -2.405 1.00 54.20 H new ATOM 0 HG23 VAL A 14 15.275 -14.962 -0.711 1.00 54.20 H new ATOM 189 N LYS A 15 10.243 -14.401 -1.715 1.00 45.14 N ATOM 190 CA LYS A 15 8.839 -14.782 -1.627 1.00 34.42 C ATOM 191 C LYS A 15 8.405 -15.551 -2.871 1.00 3.44 C ATOM 192 O LYS A 15 8.377 -15.004 -3.973 1.00 33.44 O ATOM 193 CB LYS A 15 7.962 -13.541 -1.450 1.00 23.14 C ATOM 194 CG LYS A 15 6.565 -13.851 -0.941 1.00 20.51 C ATOM 195 CD LYS A 15 6.455 -13.629 0.559 1.00 21.44 C ATOM 196 CE LYS A 15 6.098 -12.187 0.884 1.00 61.00 C ATOM 197 NZ LYS A 15 4.660 -11.900 0.625 1.00 31.20 N1+ ATOM 0 H LYS A 15 10.429 -13.622 -2.347 1.00 45.14 H new ATOM 0 HA LYS A 15 8.718 -15.431 -0.759 1.00 34.42 H new ATOM 0 HB2 LYS A 15 8.450 -12.858 -0.755 1.00 23.14 H new ATOM 0 HB3 LYS A 15 7.885 -13.022 -2.405 1.00 23.14 H new ATOM 0 HG2 LYS A 15 5.841 -13.221 -1.457 1.00 20.51 H new ATOM 0 HG3 LYS A 15 6.312 -14.885 -1.176 1.00 20.51 H new ATOM 0 HD2 LYS A 15 5.697 -14.295 0.972 1.00 21.44 H new ATOM 0 HD3 LYS A 15 7.400 -13.887 1.036 1.00 21.44 H new ATOM 0 HE2 LYS A 15 6.326 -11.983 1.930 1.00 61.00 H new ATOM 0 HE3 LYS A 15 6.716 -11.516 0.286 1.00 61.00 H new ATOM 0 HZ1 LYS A 15 4.417 -10.967 1.014 1.00 31.20 H new ATOM 0 HZ2 LYS A 15 4.484 -11.904 -0.400 1.00 31.20 H new ATOM 0 HZ3 LYS A 15 4.073 -12.628 1.080 1.00 31.20 H new ATOM 211 N VAL A 16 8.065 -16.823 -2.686 1.00 43.13 N ATOM 212 CA VAL A 16 7.629 -17.666 -3.793 1.00 14.13 C ATOM 213 C VAL A 16 6.113 -17.823 -3.801 1.00 22.53 C ATOM 214 O VAL A 16 5.553 -18.592 -3.018 1.00 43.30 O ATOM 215 CB VAL A 16 8.278 -19.061 -3.725 1.00 62.10 C ATOM 216 CG1 VAL A 16 7.904 -19.884 -4.948 1.00 24.42 C ATOM 217 CG2 VAL A 16 9.789 -18.940 -3.596 1.00 0.34 C ATOM 0 H VAL A 16 8.083 -17.292 -1.780 1.00 43.13 H new ATOM 0 HA VAL A 16 7.945 -17.171 -4.711 1.00 14.13 H new ATOM 0 HB VAL A 16 7.901 -19.575 -2.841 1.00 62.10 H new ATOM 0 HG11 VAL A 16 8.372 -20.866 -4.882 1.00 24.42 H new ATOM 0 HG12 VAL A 16 6.821 -20.000 -4.991 1.00 24.42 H new ATOM 0 HG13 VAL A 16 8.251 -19.376 -5.848 1.00 24.42 H new ATOM 0 HG21 VAL A 16 10.231 -19.935 -3.549 1.00 0.34 H new ATOM 0 HG22 VAL A 16 10.186 -18.407 -4.460 1.00 0.34 H new ATOM 0 HG23 VAL A 16 10.034 -18.391 -2.687 1.00 0.34 H new ATOM 227 N LEU A 17 5.452 -17.089 -4.690 1.00 52.23 N ATOM 228 CA LEU A 17 3.999 -17.146 -4.801 1.00 52.32 C ATOM 229 C LEU A 17 3.578 -17.749 -6.137 1.00 63.31 C ATOM 230 O LEU A 17 4.339 -17.731 -7.105 1.00 71.44 O ATOM 231 CB LEU A 17 3.401 -15.746 -4.650 1.00 44.04 C ATOM 232 CG LEU A 17 2.748 -15.438 -3.302 1.00 44.34 C ATOM 233 CD1 LEU A 17 3.320 -14.158 -2.712 1.00 1.50 C ATOM 234 CD2 LEU A 17 1.237 -15.329 -3.453 1.00 53.44 C ATOM 0 H LEU A 17 5.900 -16.447 -5.344 1.00 52.23 H new ATOM 0 HA LEU A 17 3.623 -17.784 -4.001 1.00 52.32 H new ATOM 0 HB2 LEU A 17 4.190 -15.015 -4.825 1.00 44.04 H new ATOM 0 HB3 LEU A 17 2.656 -15.604 -5.433 1.00 44.04 H new ATOM 0 HG LEU A 17 2.966 -16.259 -2.619 1.00 44.34 H new ATOM 0 HD11 LEU A 17 2.844 -13.955 -1.753 1.00 1.50 H new ATOM 0 HD12 LEU A 17 4.394 -14.273 -2.566 1.00 1.50 H new ATOM 0 HD13 LEU A 17 3.133 -13.328 -3.393 1.00 1.50 H new ATOM 0 HD21 LEU A 17 0.789 -15.110 -2.484 1.00 53.44 H new ATOM 0 HD22 LEU A 17 0.998 -14.528 -4.153 1.00 53.44 H new ATOM 0 HD23 LEU A 17 0.840 -16.271 -3.831 1.00 53.44 H new ATOM 246 N ASP A 18 2.361 -18.281 -6.183 1.00 52.03 N ATOM 247 CA ASP A 18 1.838 -18.887 -7.402 1.00 1.53 C ATOM 248 C ASP A 18 0.821 -17.969 -8.071 1.00 31.30 C ATOM 249 O ASP A 18 -0.056 -17.411 -7.412 1.00 2.31 O ATOM 250 CB ASP A 18 1.194 -20.239 -7.088 1.00 21.40 C ATOM 251 CG ASP A 18 1.447 -21.266 -8.174 1.00 31.11 C ATOM 252 OD1 ASP A 18 2.552 -21.847 -8.197 1.00 31.41 O1- ATOM 253 OD2 ASP A 18 0.539 -21.490 -9.002 1.00 53.44 O ATOM 0 H ASP A 18 1.719 -18.305 -5.391 1.00 52.03 H new ATOM 0 HA ASP A 18 2.670 -19.040 -8.089 1.00 1.53 H new ATOM 0 HB2 ASP A 18 1.583 -20.612 -6.141 1.00 21.40 H new ATOM 0 HB3 ASP A 18 0.120 -20.106 -6.961 1.00 21.40 H new ATOM 258 N ALA A 19 0.944 -17.816 -9.386 1.00 54.11 N ATOM 259 CA ALA A 19 0.036 -16.966 -10.145 1.00 4.04 C ATOM 260 C ALA A 19 -1.224 -17.727 -10.543 1.00 72.45 C ATOM 261 O ALA A 19 -2.266 -17.127 -10.810 1.00 54.10 O ATOM 262 CB ALA A 19 0.735 -16.418 -11.380 1.00 64.31 C ATOM 0 H ALA A 19 1.664 -18.270 -9.947 1.00 54.11 H new ATOM 0 HA ALA A 19 -0.260 -16.132 -9.508 1.00 4.04 H new ATOM 0 HB1 ALA A 19 0.045 -15.785 -11.938 1.00 64.31 H new ATOM 0 HB2 ALA A 19 1.602 -15.831 -11.077 1.00 64.31 H new ATOM 0 HB3 ALA A 19 1.059 -17.245 -12.012 1.00 64.31 H new ATOM 268 N VAL A 20 -1.124 -19.052 -10.581 1.00 1.32 N ATOM 269 CA VAL A 20 -2.256 -19.895 -10.945 1.00 4.11 C ATOM 270 C VAL A 20 -3.160 -20.150 -9.745 1.00 34.21 C ATOM 271 O VAL A 20 -4.372 -20.310 -9.890 1.00 24.34 O ATOM 272 CB VAL A 20 -1.788 -21.246 -11.518 1.00 64.24 C ATOM 273 CG1 VAL A 20 -2.971 -22.180 -11.720 1.00 42.40 C ATOM 274 CG2 VAL A 20 -1.033 -21.039 -12.822 1.00 1.33 C ATOM 0 H VAL A 20 -0.269 -19.565 -10.364 1.00 1.32 H new ATOM 0 HA VAL A 20 -2.817 -19.359 -11.711 1.00 4.11 H new ATOM 0 HB VAL A 20 -1.109 -21.709 -10.801 1.00 64.24 H new ATOM 0 HG11 VAL A 20 -2.620 -23.129 -12.125 1.00 42.40 H new ATOM 0 HG12 VAL A 20 -3.465 -22.354 -10.764 1.00 42.40 H new ATOM 0 HG13 VAL A 20 -3.677 -21.727 -12.416 1.00 42.40 H new ATOM 0 HG21 VAL A 20 -0.710 -22.004 -13.212 1.00 1.33 H new ATOM 0 HG22 VAL A 20 -1.686 -20.554 -13.548 1.00 1.33 H new ATOM 0 HG23 VAL A 20 -0.161 -20.410 -12.642 1.00 1.33 H new ATOM 284 N ARG A 21 -2.562 -20.187 -8.558 1.00 70.43 N ATOM 285 CA ARG A 21 -3.315 -20.423 -7.332 1.00 40.24 C ATOM 286 C ARG A 21 -3.501 -19.126 -6.550 1.00 25.13 C ATOM 287 O ARG A 21 -4.417 -19.005 -5.737 1.00 25.45 O ATOM 288 CB ARG A 21 -2.599 -21.458 -6.461 1.00 54.04 C ATOM 289 CG ARG A 21 -2.039 -22.632 -7.246 1.00 23.13 C ATOM 290 CD ARG A 21 -1.238 -23.567 -6.354 1.00 70.24 C ATOM 291 NE ARG A 21 -2.097 -24.472 -5.596 1.00 32.25 N ATOM 292 CZ ARG A 21 -2.579 -24.190 -4.391 1.00 13.33 C ATOM 293 NH1 ARG A 21 -2.288 -23.034 -3.810 1.00 64.54 N1+ ATOM 294 NH2 ARG A 21 -3.355 -25.065 -3.763 1.00 42.11 N ATOM 0 H ARG A 21 -1.560 -20.057 -8.420 1.00 70.43 H new ATOM 0 HA ARG A 21 -4.298 -20.806 -7.606 1.00 40.24 H new ATOM 0 HB2 ARG A 21 -1.785 -20.969 -5.925 1.00 54.04 H new ATOM 0 HB3 ARG A 21 -3.295 -21.833 -5.711 1.00 54.04 H new ATOM 0 HG2 ARG A 21 -2.856 -23.183 -7.711 1.00 23.13 H new ATOM 0 HG3 ARG A 21 -1.404 -22.263 -8.051 1.00 23.13 H new ATOM 0 HD2 ARG A 21 -0.549 -24.149 -6.966 1.00 70.24 H new ATOM 0 HD3 ARG A 21 -0.633 -22.979 -5.664 1.00 70.24 H new ATOM 0 HE ARG A 21 -2.340 -25.370 -6.015 1.00 32.25 H new ATOM 0 HH11 ARG A 21 -1.692 -22.358 -4.289 1.00 64.54 H new ATOM 0 HH12 ARG A 21 -2.660 -22.821 -2.884 1.00 64.54 H new ATOM 0 HH21 ARG A 21 -3.582 -25.955 -4.206 1.00 42.11 H new ATOM 0 HH22 ARG A 21 -3.724 -24.847 -2.838 1.00 42.11 H new ATOM 308 N GLY A 22 -2.625 -18.157 -6.803 1.00 14.01 N ATOM 309 CA GLY A 22 -2.711 -16.883 -6.114 1.00 71.33 C ATOM 310 C GLY A 22 -2.332 -16.988 -4.650 1.00 55.30 C ATOM 311 O GLY A 22 -2.742 -16.161 -3.835 1.00 35.44 O ATOM 0 H GLY A 22 -1.859 -18.232 -7.472 1.00 14.01 H new ATOM 0 HA2 GLY A 22 -2.056 -16.163 -6.605 1.00 71.33 H new ATOM 0 HA3 GLY A 22 -3.727 -16.497 -6.196 1.00 71.33 H new ATOM 315 N SER A 23 -1.548 -18.008 -4.315 1.00 52.31 N ATOM 316 CA SER A 23 -1.119 -18.221 -2.938 1.00 31.20 C ATOM 317 C SER A 23 0.350 -18.630 -2.885 1.00 73.43 C ATOM 318 O SER A 23 0.933 -19.079 -3.871 1.00 43.22 O ATOM 319 CB SER A 23 -1.982 -19.295 -2.272 1.00 51.44 C ATOM 320 OG SER A 23 -3.114 -18.720 -1.641 1.00 24.23 O ATOM 0 H SER A 23 -1.197 -18.699 -4.978 1.00 52.31 H new ATOM 0 HA SER A 23 -1.238 -17.282 -2.397 1.00 31.20 H new ATOM 0 HB2 SER A 23 -2.307 -20.020 -3.019 1.00 51.44 H new ATOM 0 HB3 SER A 23 -1.389 -19.839 -1.537 1.00 51.44 H new ATOM 0 HG SER A 23 -3.650 -19.427 -1.224 1.00 24.23 H new ATOM 326 N PRO A 24 0.966 -18.471 -1.703 1.00 13.40 N ATOM 327 CA PRO A 24 2.374 -18.816 -1.491 1.00 34.35 C ATOM 328 C PRO A 24 2.612 -20.322 -1.522 1.00 53.53 C ATOM 329 O PRO A 24 1.898 -21.087 -0.874 1.00 40.42 O ATOM 330 CB PRO A 24 2.670 -18.257 -0.097 1.00 12.41 C ATOM 331 CG PRO A 24 1.348 -18.227 0.589 1.00 62.31 C ATOM 332 CD PRO A 24 0.332 -17.940 -0.483 1.00 53.31 C ATOM 0 HA PRO A 24 3.016 -18.410 -2.273 1.00 34.35 H new ATOM 0 HB2 PRO A 24 3.380 -18.887 0.439 1.00 12.41 H new ATOM 0 HB3 PRO A 24 3.108 -17.261 -0.155 1.00 12.41 H new ATOM 0 HG2 PRO A 24 1.141 -19.179 1.079 1.00 62.31 H new ATOM 0 HG3 PRO A 24 1.327 -17.459 1.362 1.00 62.31 H new ATOM 0 HD2 PRO A 24 -0.619 -18.431 -0.278 1.00 53.31 H new ATOM 0 HD3 PRO A 24 0.128 -16.873 -0.568 1.00 53.31 H new ATOM 340 N ALA A 25 3.620 -20.741 -2.280 1.00 24.51 N ATOM 341 CA ALA A 25 3.954 -22.156 -2.393 1.00 10.44 C ATOM 342 C ALA A 25 4.661 -22.656 -1.138 1.00 33.45 C ATOM 343 O ALA A 25 5.387 -21.907 -0.483 1.00 43.13 O ATOM 344 CB ALA A 25 4.819 -22.397 -3.620 1.00 61.41 C ATOM 0 H ALA A 25 4.219 -20.121 -2.825 1.00 24.51 H new ATOM 0 HA ALA A 25 3.025 -22.716 -2.501 1.00 10.44 H new ATOM 0 HB1 ALA A 25 5.061 -23.457 -3.692 1.00 61.41 H new ATOM 0 HB2 ALA A 25 4.277 -22.087 -4.514 1.00 61.41 H new ATOM 0 HB3 ALA A 25 5.740 -21.820 -3.535 1.00 61.41 H new ATOM 350 N ILE A 26 4.443 -23.923 -0.806 1.00 22.35 N ATOM 351 CA ILE A 26 5.060 -24.522 0.370 1.00 34.21 C ATOM 352 C ILE A 26 6.145 -25.518 -0.024 1.00 14.43 C ATOM 353 O ILE A 26 6.011 -26.237 -1.014 1.00 25.11 O ATOM 354 CB ILE A 26 4.018 -25.237 1.250 1.00 4.42 C ATOM 355 CG1 ILE A 26 3.102 -24.215 1.927 1.00 3.20 C ATOM 356 CG2 ILE A 26 4.710 -26.106 2.290 1.00 54.14 C ATOM 357 CD1 ILE A 26 2.059 -24.841 2.827 1.00 11.52 C ATOM 0 H ILE A 26 3.843 -24.555 -1.335 1.00 22.35 H new ATOM 0 HA ILE A 26 5.508 -23.708 0.940 1.00 34.21 H new ATOM 0 HB ILE A 26 3.408 -25.879 0.615 1.00 4.42 H new ATOM 0 HG12 ILE A 26 3.710 -23.526 2.514 1.00 3.20 H new ATOM 0 HG13 ILE A 26 2.601 -23.624 1.160 1.00 3.20 H new ATOM 0 HG21 ILE A 26 3.960 -26.605 2.904 1.00 54.14 H new ATOM 0 HG22 ILE A 26 5.324 -26.854 1.789 1.00 54.14 H new ATOM 0 HG23 ILE A 26 5.342 -25.483 2.923 1.00 54.14 H new ATOM 0 HD11 ILE A 26 1.446 -24.058 3.273 1.00 11.52 H new ATOM 0 HD12 ILE A 26 1.426 -25.508 2.241 1.00 11.52 H new ATOM 0 HD13 ILE A 26 2.553 -25.409 3.616 1.00 11.52 H new ATOM 369 N ASN A 27 7.219 -25.556 0.758 1.00 12.42 N ATOM 370 CA ASN A 27 8.327 -26.466 0.490 1.00 73.32 C ATOM 371 C ASN A 27 8.921 -26.210 -0.892 1.00 13.34 C ATOM 372 O ASN A 27 9.107 -27.136 -1.680 1.00 65.22 O ATOM 373 CB ASN A 27 7.859 -27.919 0.595 1.00 73.52 C ATOM 374 CG ASN A 27 7.748 -28.390 2.032 1.00 73.20 C ATOM 375 OD1 ASN A 27 8.034 -29.545 2.343 1.00 43.32 O ATOM 376 ND2 ASN A 27 7.330 -27.493 2.917 1.00 31.42 N ATOM 0 H ASN A 27 7.346 -24.968 1.582 1.00 12.42 H new ATOM 0 HA ASN A 27 9.100 -26.285 1.237 1.00 73.32 H new ATOM 0 HB2 ASN A 27 6.890 -28.022 0.106 1.00 73.52 H new ATOM 0 HB3 ASN A 27 8.556 -28.562 0.058 1.00 73.52 H new ATOM 0 HD21 ASN A 27 7.235 -27.751 3.899 1.00 31.42 H new ATOM 0 HD22 ASN A 27 7.104 -26.545 2.615 1.00 31.42 H new ATOM 383 N VAL A 28 9.215 -24.945 -1.177 1.00 10.34 N ATOM 384 CA VAL A 28 9.790 -24.566 -2.462 1.00 3.15 C ATOM 385 C VAL A 28 11.313 -24.596 -2.414 1.00 50.12 C ATOM 386 O VAL A 28 11.947 -23.662 -1.923 1.00 52.30 O ATOM 387 CB VAL A 28 9.327 -23.160 -2.890 1.00 72.20 C ATOM 388 CG1 VAL A 28 9.975 -22.763 -4.208 1.00 40.10 C ATOM 389 CG2 VAL A 28 7.811 -23.107 -2.995 1.00 33.20 C ATOM 0 H VAL A 28 9.064 -24.166 -0.536 1.00 10.34 H new ATOM 0 HA VAL A 28 9.440 -25.294 -3.193 1.00 3.15 H new ATOM 0 HB VAL A 28 9.640 -22.446 -2.128 1.00 72.20 H new ATOM 0 HG11 VAL A 28 9.636 -21.767 -4.495 1.00 40.10 H new ATOM 0 HG12 VAL A 28 11.059 -22.759 -4.094 1.00 40.10 H new ATOM 0 HG13 VAL A 28 9.695 -23.478 -4.981 1.00 40.10 H new ATOM 0 HG21 VAL A 28 7.502 -22.107 -3.298 1.00 33.20 H new ATOM 0 HG22 VAL A 28 7.472 -23.832 -3.735 1.00 33.20 H new ATOM 0 HG23 VAL A 28 7.371 -23.345 -2.027 1.00 33.20 H new ATOM 399 N ALA A 29 11.895 -25.675 -2.928 1.00 21.11 N ATOM 400 CA ALA A 29 13.345 -25.825 -2.946 1.00 13.43 C ATOM 401 C ALA A 29 14.014 -24.621 -3.600 1.00 73.30 C ATOM 402 O ALA A 29 13.926 -24.432 -4.813 1.00 24.22 O ATOM 403 CB ALA A 29 13.733 -27.105 -3.671 1.00 1.22 C ATOM 0 H ALA A 29 11.385 -26.458 -3.337 1.00 21.11 H new ATOM 0 HA ALA A 29 13.692 -25.884 -1.915 1.00 13.43 H new ATOM 0 HB1 ALA A 29 14.818 -27.205 -3.677 1.00 1.22 H new ATOM 0 HB2 ALA A 29 13.293 -27.961 -3.159 1.00 1.22 H new ATOM 0 HB3 ALA A 29 13.366 -27.068 -4.697 1.00 1.22 H new ATOM 409 N VAL A 30 14.681 -23.807 -2.787 1.00 52.51 N ATOM 410 CA VAL A 30 15.366 -22.622 -3.287 1.00 62.05 C ATOM 411 C VAL A 30 16.848 -22.651 -2.933 1.00 64.44 C ATOM 412 O VAL A 30 17.237 -23.181 -1.891 1.00 3.33 O ATOM 413 CB VAL A 30 14.740 -21.332 -2.722 1.00 11.02 C ATOM 414 CG1 VAL A 30 15.415 -20.106 -3.317 1.00 43.41 C ATOM 415 CG2 VAL A 30 13.242 -21.308 -2.986 1.00 50.55 C ATOM 0 H VAL A 30 14.761 -23.947 -1.780 1.00 52.51 H new ATOM 0 HA VAL A 30 15.255 -22.628 -4.371 1.00 62.05 H new ATOM 0 HB VAL A 30 14.896 -21.315 -1.643 1.00 11.02 H new ATOM 0 HG11 VAL A 30 14.960 -19.205 -2.906 1.00 43.41 H new ATOM 0 HG12 VAL A 30 16.477 -20.120 -3.072 1.00 43.41 H new ATOM 0 HG13 VAL A 30 15.293 -20.113 -4.400 1.00 43.41 H new ATOM 0 HG21 VAL A 30 12.816 -20.390 -2.581 1.00 50.55 H new ATOM 0 HG22 VAL A 30 13.061 -21.348 -4.060 1.00 50.55 H new ATOM 0 HG23 VAL A 30 12.774 -22.168 -2.507 1.00 50.55 H new ATOM 425 N HIS A 31 17.672 -22.079 -3.804 1.00 4.33 N ATOM 426 CA HIS A 31 19.113 -22.040 -3.582 1.00 20.44 C ATOM 427 C HIS A 31 19.656 -20.628 -3.791 1.00 70.41 C ATOM 428 O HIS A 31 19.109 -19.851 -4.574 1.00 62.13 O ATOM 429 CB HIS A 31 19.822 -23.016 -4.522 1.00 42.03 C ATOM 430 CG HIS A 31 19.094 -24.313 -4.698 1.00 51.24 C ATOM 431 ND1 HIS A 31 18.917 -24.915 -5.925 1.00 72.51 N ATOM 432 CD2 HIS A 31 18.500 -25.125 -3.793 1.00 21.01 C ATOM 433 CE1 HIS A 31 18.243 -26.040 -5.767 1.00 63.14 C ATOM 434 NE2 HIS A 31 17.977 -26.191 -4.482 1.00 23.04 N ATOM 0 H HIS A 31 17.367 -21.636 -4.671 1.00 4.33 H new ATOM 0 HA HIS A 31 19.306 -22.336 -2.551 1.00 20.44 H new ATOM 0 HB2 HIS A 31 19.947 -22.544 -5.496 1.00 42.03 H new ATOM 0 HB3 HIS A 31 20.821 -23.219 -4.136 1.00 42.03 H new ATOM 0 HD2 HIS A 31 18.447 -24.964 -2.726 1.00 21.01 H new ATOM 0 HE1 HIS A 31 17.958 -26.721 -6.555 1.00 63.14 H new ATOM 0 HE2 HIS A 31 17.467 -26.972 -4.069 1.00 23.04 H new ATOM 442 N VAL A 32 20.734 -20.305 -3.085 1.00 33.14 N ATOM 443 CA VAL A 32 21.352 -18.989 -3.193 1.00 13.25 C ATOM 444 C VAL A 32 22.857 -19.103 -3.406 1.00 62.02 C ATOM 445 O VAL A 32 23.553 -19.773 -2.644 1.00 63.22 O ATOM 446 CB VAL A 32 21.085 -18.139 -1.936 1.00 11.21 C ATOM 447 CG1 VAL A 32 21.505 -16.695 -2.168 1.00 62.34 C ATOM 448 CG2 VAL A 32 19.619 -18.219 -1.540 1.00 30.45 C ATOM 0 H VAL A 32 21.198 -20.936 -2.432 1.00 33.14 H new ATOM 0 HA VAL A 32 20.903 -18.499 -4.057 1.00 13.25 H new ATOM 0 HB VAL A 32 21.681 -18.538 -1.116 1.00 11.21 H new ATOM 0 HG11 VAL A 32 21.309 -16.110 -1.269 1.00 62.34 H new ATOM 0 HG12 VAL A 32 22.569 -16.658 -2.400 1.00 62.34 H new ATOM 0 HG13 VAL A 32 20.938 -16.281 -3.002 1.00 62.34 H new ATOM 0 HG21 VAL A 32 19.449 -17.613 -0.650 1.00 30.45 H new ATOM 0 HG22 VAL A 32 19.001 -17.847 -2.357 1.00 30.45 H new ATOM 0 HG23 VAL A 32 19.355 -19.255 -1.329 1.00 30.45 H new ATOM 458 N PHE A 33 23.354 -18.444 -4.448 1.00 14.51 N ATOM 459 CA PHE A 33 24.777 -18.471 -4.762 1.00 10.33 C ATOM 460 C PHE A 33 25.349 -17.058 -4.819 1.00 51.44 C ATOM 461 O PHE A 33 24.614 -16.085 -4.989 1.00 61.13 O ATOM 462 CB PHE A 33 25.013 -19.183 -6.096 1.00 54.22 C ATOM 463 CG PHE A 33 24.601 -20.628 -6.086 1.00 35.32 C ATOM 464 CD1 PHE A 33 23.260 -20.979 -6.103 1.00 23.55 C ATOM 465 CD2 PHE A 33 25.553 -21.632 -6.061 1.00 63.43 C ATOM 466 CE1 PHE A 33 22.879 -22.307 -6.092 1.00 31.23 C ATOM 467 CE2 PHE A 33 25.177 -22.963 -6.051 1.00 51.24 C ATOM 468 CZ PHE A 33 23.839 -23.301 -6.068 1.00 15.51 C ATOM 0 H PHE A 33 22.791 -17.885 -5.089 1.00 14.51 H new ATOM 0 HA PHE A 33 25.288 -19.019 -3.970 1.00 10.33 H new ATOM 0 HB2 PHE A 33 24.462 -18.662 -6.879 1.00 54.22 H new ATOM 0 HB3 PHE A 33 26.070 -19.117 -6.352 1.00 54.22 H new ATOM 0 HD1 PHE A 33 22.505 -20.207 -6.125 1.00 23.55 H new ATOM 0 HD2 PHE A 33 26.602 -21.373 -6.049 1.00 63.43 H new ATOM 0 HE1 PHE A 33 21.831 -22.568 -6.102 1.00 31.23 H new ATOM 0 HE2 PHE A 33 25.930 -23.737 -6.030 1.00 51.24 H new ATOM 0 HZ PHE A 33 23.543 -24.340 -6.063 1.00 15.51 H new ATOM 478 N ARG A 34 26.666 -16.953 -4.675 1.00 32.15 N ATOM 479 CA ARG A 34 27.338 -15.659 -4.708 1.00 13.44 C ATOM 480 C ARG A 34 28.325 -15.589 -5.870 1.00 21.02 C ATOM 481 O ARG A 34 28.928 -16.592 -6.249 1.00 3.34 O ATOM 482 CB ARG A 34 28.068 -15.406 -3.388 1.00 72.25 C ATOM 483 CG ARG A 34 28.692 -14.023 -3.293 1.00 3.34 C ATOM 484 CD ARG A 34 29.542 -13.881 -2.040 1.00 53.42 C ATOM 485 NE ARG A 34 30.732 -13.068 -2.276 1.00 31.04 N ATOM 486 CZ ARG A 34 31.812 -13.103 -1.503 1.00 34.30 C ATOM 487 NH1 ARG A 34 31.851 -13.907 -0.449 1.00 44.53 N1+ ATOM 488 NH2 ARG A 34 32.855 -12.332 -1.782 1.00 2.43 N ATOM 0 H ARG A 34 27.289 -17.748 -4.534 1.00 32.15 H new ATOM 0 HA ARG A 34 26.581 -14.888 -4.850 1.00 13.44 H new ATOM 0 HB2 ARG A 34 27.367 -15.536 -2.564 1.00 72.25 H new ATOM 0 HB3 ARG A 34 28.848 -16.157 -3.264 1.00 72.25 H new ATOM 0 HG2 ARG A 34 29.307 -13.839 -4.174 1.00 3.34 H new ATOM 0 HG3 ARG A 34 27.906 -13.267 -3.289 1.00 3.34 H new ATOM 0 HD2 ARG A 34 28.946 -13.430 -1.247 1.00 53.42 H new ATOM 0 HD3 ARG A 34 29.841 -14.869 -1.691 1.00 53.42 H new ATOM 0 HE ARG A 34 30.734 -12.439 -3.079 1.00 31.04 H new ATOM 0 HH11 ARG A 34 31.051 -14.500 -0.230 1.00 44.53 H new ATOM 0 HH12 ARG A 34 32.681 -13.932 0.143 1.00 44.53 H new ATOM 0 HH21 ARG A 34 32.828 -11.711 -2.591 1.00 2.43 H new ATOM 0 HH22 ARG A 34 33.683 -12.360 -1.188 1.00 2.43 H new ATOM 502 N LYS A 35 28.485 -14.395 -6.431 1.00 54.20 N ATOM 503 CA LYS A 35 29.398 -14.191 -7.549 1.00 73.31 C ATOM 504 C LYS A 35 30.841 -14.095 -7.062 1.00 71.34 C ATOM 505 O LYS A 35 31.230 -13.109 -6.435 1.00 63.22 O ATOM 506 CB LYS A 35 29.023 -12.922 -8.318 1.00 24.12 C ATOM 507 CG LYS A 35 30.086 -12.470 -9.303 1.00 14.42 C ATOM 508 CD LYS A 35 30.426 -13.567 -10.298 1.00 34.13 C ATOM 509 CE LYS A 35 29.389 -13.654 -11.407 1.00 42.22 C ATOM 510 NZ LYS A 35 29.400 -14.986 -12.073 1.00 53.31 N1+ ATOM 0 H LYS A 35 27.994 -13.554 -6.129 1.00 54.20 H new ATOM 0 HA LYS A 35 29.313 -15.050 -8.215 1.00 73.31 H new ATOM 0 HB2 LYS A 35 28.091 -13.096 -8.857 1.00 24.12 H new ATOM 0 HB3 LYS A 35 28.834 -12.118 -7.606 1.00 24.12 H new ATOM 0 HG2 LYS A 35 29.736 -11.588 -9.838 1.00 14.42 H new ATOM 0 HG3 LYS A 35 30.985 -12.178 -8.761 1.00 14.42 H new ATOM 0 HD2 LYS A 35 31.408 -13.376 -10.731 1.00 34.13 H new ATOM 0 HD3 LYS A 35 30.487 -14.524 -9.780 1.00 34.13 H new ATOM 0 HE2 LYS A 35 28.399 -13.463 -10.994 1.00 42.22 H new ATOM 0 HE3 LYS A 35 29.582 -12.877 -12.146 1.00 42.22 H new ATOM 0 HZ1 LYS A 35 28.422 -15.307 -12.223 1.00 53.31 H new ATOM 0 HZ2 LYS A 35 29.885 -14.912 -12.990 1.00 53.31 H new ATOM 0 HZ3 LYS A 35 29.901 -15.671 -11.471 1.00 53.31 H new ATOM 524 N ALA A 36 31.630 -15.122 -7.355 1.00 33.44 N ATOM 525 CA ALA A 36 33.030 -15.151 -6.951 1.00 70.02 C ATOM 526 C ALA A 36 33.862 -14.178 -7.780 1.00 20.11 C ATOM 527 O ALA A 36 33.328 -13.439 -8.606 1.00 35.22 O ATOM 528 CB ALA A 36 33.586 -16.562 -7.073 1.00 3.22 C ATOM 0 H ALA A 36 31.323 -15.946 -7.871 1.00 33.44 H new ATOM 0 HA ALA A 36 33.087 -14.839 -5.908 1.00 70.02 H new ATOM 0 HB1 ALA A 36 34.632 -16.568 -6.768 1.00 3.22 H new ATOM 0 HB2 ALA A 36 33.017 -17.234 -6.431 1.00 3.22 H new ATOM 0 HB3 ALA A 36 33.508 -16.896 -8.108 1.00 3.22 H new ATOM 534 N ALA A 37 35.171 -14.183 -7.553 1.00 24.23 N ATOM 535 CA ALA A 37 36.076 -13.301 -8.279 1.00 41.33 C ATOM 536 C ALA A 37 36.469 -13.907 -9.622 1.00 62.24 C ATOM 537 O ALA A 37 37.176 -13.280 -10.413 1.00 15.13 O ATOM 538 CB ALA A 37 37.315 -13.013 -7.445 1.00 20.34 C ATOM 0 H ALA A 37 35.629 -14.788 -6.872 1.00 24.23 H new ATOM 0 HA ALA A 37 35.555 -12.363 -8.470 1.00 41.33 H new ATOM 0 HB1 ALA A 37 37.982 -12.353 -8.000 1.00 20.34 H new ATOM 0 HB2 ALA A 37 37.022 -12.532 -6.512 1.00 20.34 H new ATOM 0 HB3 ALA A 37 37.831 -13.948 -7.224 1.00 20.34 H new ATOM 544 N ASP A 38 36.009 -15.127 -9.874 1.00 62.14 N ATOM 545 CA ASP A 38 36.313 -15.817 -11.122 1.00 4.12 C ATOM 546 C ASP A 38 35.105 -15.814 -12.053 1.00 0.42 C ATOM 547 O ASP A 38 34.984 -16.668 -12.933 1.00 23.13 O ATOM 548 CB ASP A 38 36.754 -17.255 -10.842 1.00 0.10 C ATOM 549 CG ASP A 38 37.679 -17.796 -11.914 1.00 65.21 C ATOM 550 OD1 ASP A 38 38.399 -16.990 -12.540 1.00 40.31 O1- ATOM 551 OD2 ASP A 38 37.684 -19.027 -12.126 1.00 5.41 O ATOM 0 H ASP A 38 35.424 -15.659 -9.230 1.00 62.14 H new ATOM 0 HA ASP A 38 37.128 -15.285 -11.612 1.00 4.12 H new ATOM 0 HB2 ASP A 38 37.258 -17.296 -9.877 1.00 0.10 H new ATOM 0 HB3 ASP A 38 35.874 -17.894 -10.769 1.00 0.10 H new ATOM 556 N ASP A 39 34.212 -14.851 -11.852 1.00 22.23 N ATOM 557 CA ASP A 39 33.012 -14.738 -12.673 1.00 13.11 C ATOM 558 C ASP A 39 32.166 -16.004 -12.576 1.00 31.25 C ATOM 559 O ASP A 39 31.519 -16.409 -13.543 1.00 44.13 O ATOM 560 CB ASP A 39 33.389 -14.473 -14.131 1.00 2.13 C ATOM 561 CG ASP A 39 34.101 -13.147 -14.313 1.00 55.52 C ATOM 562 OD1 ASP A 39 33.613 -12.133 -13.772 1.00 75.13 O1- ATOM 563 OD2 ASP A 39 35.146 -13.123 -14.997 1.00 22.43 O ATOM 0 H ASP A 39 34.296 -14.138 -11.128 1.00 22.23 H new ATOM 0 HA ASP A 39 32.424 -13.900 -12.300 1.00 13.11 H new ATOM 0 HB2 ASP A 39 34.030 -15.278 -14.490 1.00 2.13 H new ATOM 0 HB3 ASP A 39 32.488 -14.485 -14.744 1.00 2.13 H new ATOM 568 N THR A 40 32.174 -16.627 -11.401 1.00 30.11 N ATOM 569 CA THR A 40 31.410 -17.847 -11.178 1.00 25.33 C ATOM 570 C THR A 40 30.457 -17.692 -9.998 1.00 51.15 C ATOM 571 O THR A 40 30.546 -16.725 -9.241 1.00 63.30 O ATOM 572 CB THR A 40 32.335 -19.051 -10.920 1.00 62.55 C ATOM 573 OG1 THR A 40 33.085 -18.844 -9.718 1.00 73.04 O ATOM 574 CG2 THR A 40 33.288 -19.261 -12.088 1.00 33.22 C ATOM 0 H THR A 40 32.702 -16.306 -10.589 1.00 30.11 H new ATOM 0 HA THR A 40 30.834 -18.028 -12.086 1.00 25.33 H new ATOM 0 HB THR A 40 31.715 -19.941 -10.812 1.00 62.55 H new ATOM 0 HG1 THR A 40 33.669 -19.615 -9.560 1.00 73.04 H new ATOM 0 HG21 THR A 40 33.931 -20.117 -11.883 1.00 33.22 H new ATOM 0 HG22 THR A 40 32.715 -19.447 -12.996 1.00 33.22 H new ATOM 0 HG23 THR A 40 33.901 -18.370 -12.222 1.00 33.22 H new ATOM 582 N TRP A 41 29.548 -18.649 -9.847 1.00 51.02 N ATOM 583 CA TRP A 41 28.580 -18.617 -8.758 1.00 63.44 C ATOM 584 C TRP A 41 28.869 -19.715 -7.740 1.00 42.43 C ATOM 585 O TRP A 41 28.777 -20.902 -8.052 1.00 72.23 O ATOM 586 CB TRP A 41 27.160 -18.774 -9.305 1.00 61.33 C ATOM 587 CG TRP A 41 26.800 -17.740 -10.329 1.00 74.13 C ATOM 588 CD1 TRP A 41 26.778 -17.902 -11.685 1.00 3.01 C ATOM 589 CD2 TRP A 41 26.413 -16.385 -10.078 1.00 44.13 C ATOM 590 NE1 TRP A 41 26.401 -16.728 -12.292 1.00 54.41 N ATOM 591 CE2 TRP A 41 26.170 -15.783 -11.328 1.00 1.20 C ATOM 592 CE3 TRP A 41 26.246 -15.622 -8.919 1.00 51.42 C ATOM 593 CZ2 TRP A 41 25.771 -14.454 -11.449 1.00 72.03 C ATOM 594 CZ3 TRP A 41 25.850 -14.303 -9.041 1.00 23.02 C ATOM 595 CH2 TRP A 41 25.615 -13.730 -10.298 1.00 4.00 C ATOM 0 H TRP A 41 29.462 -19.456 -10.465 1.00 51.02 H new ATOM 0 HA TRP A 41 28.665 -17.652 -8.258 1.00 63.44 H new ATOM 0 HB2 TRP A 41 27.056 -19.765 -9.748 1.00 61.33 H new ATOM 0 HB3 TRP A 41 26.452 -18.718 -8.478 1.00 61.33 H new ATOM 0 HD1 TRP A 41 27.021 -18.818 -12.204 1.00 3.01 H new ATOM 0 HE1 TRP A 41 26.308 -16.584 -13.297 1.00 54.41 H new ATOM 0 HE3 TRP A 41 26.423 -16.055 -7.946 1.00 51.42 H new ATOM 0 HZ2 TRP A 41 25.591 -14.010 -12.417 1.00 72.03 H new ATOM 0 HZ3 TRP A 41 25.720 -13.704 -8.152 1.00 23.02 H new ATOM 0 HH2 TRP A 41 25.305 -12.697 -10.360 1.00 4.00 H new ATOM 606 N GLU A 42 29.219 -19.310 -6.523 1.00 14.31 N ATOM 607 CA GLU A 42 29.523 -20.262 -5.460 1.00 22.31 C ATOM 608 C GLU A 42 28.323 -20.447 -4.537 1.00 30.22 C ATOM 609 O GLU A 42 27.426 -19.607 -4.467 1.00 23.11 O ATOM 610 CB GLU A 42 30.734 -19.789 -4.653 1.00 42.11 C ATOM 611 CG GLU A 42 32.066 -20.184 -5.265 1.00 72.32 C ATOM 612 CD GLU A 42 33.075 -20.635 -4.227 1.00 0.20 C ATOM 613 OE1 GLU A 42 33.701 -19.762 -3.590 1.00 22.10 O1- ATOM 614 OE2 GLU A 42 33.238 -21.861 -4.051 1.00 22.45 O ATOM 0 H GLU A 42 29.299 -18.331 -6.249 1.00 14.31 H new ATOM 0 HA GLU A 42 29.756 -21.222 -5.921 1.00 22.31 H new ATOM 0 HB2 GLU A 42 30.695 -18.704 -4.558 1.00 42.11 H new ATOM 0 HB3 GLU A 42 30.671 -20.200 -3.645 1.00 42.11 H new ATOM 0 HG2 GLU A 42 31.907 -20.987 -5.984 1.00 72.32 H new ATOM 0 HG3 GLU A 42 32.473 -19.337 -5.818 1.00 72.32 H new ATOM 621 N PRO A 43 28.303 -21.575 -3.813 1.00 55.32 N ATOM 622 CA PRO A 43 27.219 -21.900 -2.880 1.00 0.45 C ATOM 623 C PRO A 43 27.220 -20.995 -1.653 1.00 61.23 C ATOM 624 O PRO A 43 28.187 -20.967 -0.891 1.00 55.41 O ATOM 625 CB PRO A 43 27.517 -23.346 -2.479 1.00 61.34 C ATOM 626 CG PRO A 43 28.985 -23.500 -2.677 1.00 40.42 C ATOM 627 CD PRO A 43 29.338 -22.623 -3.846 1.00 75.22 C ATOM 0 HA PRO A 43 26.237 -21.763 -3.333 1.00 0.45 H new ATOM 0 HB2 PRO A 43 27.235 -23.535 -1.443 1.00 61.34 H new ATOM 0 HB3 PRO A 43 26.959 -24.051 -3.095 1.00 61.34 H new ATOM 0 HG2 PRO A 43 29.533 -23.200 -1.784 1.00 40.42 H new ATOM 0 HG3 PRO A 43 29.245 -24.540 -2.876 1.00 40.42 H new ATOM 0 HD2 PRO A 43 30.339 -22.203 -3.745 1.00 75.22 H new ATOM 0 HD3 PRO A 43 29.318 -23.177 -4.784 1.00 75.22 H new ATOM 635 N PHE A 44 26.131 -20.256 -1.466 1.00 1.12 N ATOM 636 CA PHE A 44 26.007 -19.350 -0.330 1.00 62.35 C ATOM 637 C PHE A 44 25.045 -19.913 0.712 1.00 72.22 C ATOM 638 O PHE A 44 25.405 -20.078 1.878 1.00 41.04 O ATOM 639 CB PHE A 44 25.523 -17.977 -0.798 1.00 22.21 C ATOM 640 CG PHE A 44 25.524 -16.939 0.287 1.00 51.13 C ATOM 641 CD1 PHE A 44 26.716 -16.488 0.833 1.00 54.50 C ATOM 642 CD2 PHE A 44 24.334 -16.413 0.763 1.00 44.44 C ATOM 643 CE1 PHE A 44 26.720 -15.535 1.833 1.00 13.33 C ATOM 644 CE2 PHE A 44 24.331 -15.459 1.763 1.00 23.30 C ATOM 645 CZ PHE A 44 25.526 -15.018 2.297 1.00 2.44 C ATOM 0 H PHE A 44 25.322 -20.267 -2.087 1.00 1.12 H new ATOM 0 HA PHE A 44 26.990 -19.245 0.129 1.00 62.35 H new ATOM 0 HB2 PHE A 44 26.158 -17.636 -1.616 1.00 22.21 H new ATOM 0 HB3 PHE A 44 24.513 -18.073 -1.197 1.00 22.21 H new ATOM 0 HD1 PHE A 44 27.653 -16.887 0.472 1.00 54.50 H new ATOM 0 HD2 PHE A 44 23.397 -16.753 0.347 1.00 44.44 H new ATOM 0 HE1 PHE A 44 27.656 -15.195 2.252 1.00 13.33 H new ATOM 0 HE2 PHE A 44 23.396 -15.059 2.126 1.00 23.30 H new ATOM 0 HZ PHE A 44 25.527 -14.270 3.076 1.00 2.44 H new ATOM 655 N ALA A 45 23.823 -20.206 0.283 1.00 74.54 N ATOM 656 CA ALA A 45 22.810 -20.751 1.179 1.00 71.13 C ATOM 657 C ALA A 45 21.719 -21.476 0.397 1.00 63.11 C ATOM 658 O ALA A 45 21.728 -21.488 -0.834 1.00 0.42 O ATOM 659 CB ALA A 45 22.205 -19.643 2.029 1.00 14.12 C ATOM 0 H ALA A 45 23.510 -20.075 -0.679 1.00 74.54 H new ATOM 0 HA ALA A 45 23.293 -21.475 1.836 1.00 71.13 H new ATOM 0 HB1 ALA A 45 21.450 -20.065 2.693 1.00 14.12 H new ATOM 0 HB2 ALA A 45 22.988 -19.171 2.623 1.00 14.12 H new ATOM 0 HB3 ALA A 45 21.743 -18.898 1.381 1.00 14.12 H new ATOM 665 N SER A 46 20.780 -22.077 1.120 1.00 60.52 N ATOM 666 CA SER A 46 19.684 -22.807 0.493 1.00 52.32 C ATOM 667 C SER A 46 18.597 -23.135 1.513 1.00 40.50 C ATOM 668 O SER A 46 18.865 -23.254 2.707 1.00 65.02 O ATOM 669 CB SER A 46 20.202 -24.096 -0.148 1.00 70.12 C ATOM 670 OG SER A 46 19.207 -25.105 -0.144 1.00 13.53 O ATOM 0 H SER A 46 20.756 -22.073 2.140 1.00 60.52 H new ATOM 0 HA SER A 46 19.253 -22.172 -0.281 1.00 52.32 H new ATOM 0 HB2 SER A 46 20.516 -23.895 -1.172 1.00 70.12 H new ATOM 0 HB3 SER A 46 21.081 -24.446 0.392 1.00 70.12 H new ATOM 0 HG SER A 46 19.563 -25.917 -0.561 1.00 13.53 H new ATOM 676 N GLY A 47 17.366 -23.281 1.029 1.00 11.14 N ATOM 677 CA GLY A 47 16.256 -23.594 1.911 1.00 1.53 C ATOM 678 C GLY A 47 14.941 -23.712 1.166 1.00 63.12 C ATOM 679 O GLY A 47 14.902 -23.619 -0.061 1.00 62.23 O ATOM 0 H GLY A 47 17.118 -23.188 0.044 1.00 11.14 H new ATOM 0 HA2 GLY A 47 16.461 -24.530 2.431 1.00 1.53 H new ATOM 0 HA3 GLY A 47 16.171 -22.819 2.672 1.00 1.53 H new ATOM 683 N LYS A 48 13.859 -23.920 1.910 1.00 51.41 N ATOM 684 CA LYS A 48 12.535 -24.052 1.314 1.00 3.33 C ATOM 685 C LYS A 48 11.565 -23.039 1.914 1.00 14.54 C ATOM 686 O LYS A 48 11.790 -22.520 3.007 1.00 53.10 O ATOM 687 CB LYS A 48 12.000 -25.471 1.520 1.00 54.50 C ATOM 688 CG LYS A 48 12.855 -26.545 0.871 1.00 35.21 C ATOM 689 CD LYS A 48 12.397 -27.939 1.268 1.00 13.00 C ATOM 690 CE LYS A 48 13.362 -29.004 0.771 1.00 55.05 C ATOM 691 NZ LYS A 48 12.927 -30.373 1.166 1.00 60.34 N1+ ATOM 0 H LYS A 48 13.874 -24.001 2.927 1.00 51.41 H new ATOM 0 HA LYS A 48 12.623 -23.855 0.246 1.00 3.33 H new ATOM 0 HB2 LYS A 48 11.929 -25.672 2.589 1.00 54.50 H new ATOM 0 HB3 LYS A 48 10.989 -25.531 1.117 1.00 54.50 H new ATOM 0 HG2 LYS A 48 12.810 -26.441 -0.213 1.00 35.21 H new ATOM 0 HG3 LYS A 48 13.896 -26.407 1.161 1.00 35.21 H new ATOM 0 HD2 LYS A 48 12.313 -28.000 2.353 1.00 13.00 H new ATOM 0 HD3 LYS A 48 11.404 -28.127 0.860 1.00 13.00 H new ATOM 0 HE2 LYS A 48 13.439 -28.946 -0.315 1.00 55.05 H new ATOM 0 HE3 LYS A 48 14.357 -28.809 1.172 1.00 55.05 H new ATOM 0 HZ1 LYS A 48 13.610 -31.071 0.809 1.00 60.34 H new ATOM 0 HZ2 LYS A 48 12.878 -30.436 2.203 1.00 60.34 H new ATOM 0 HZ3 LYS A 48 11.989 -30.569 0.762 1.00 60.34 H new ATOM 705 N THR A 49 10.484 -22.762 1.190 1.00 35.43 N ATOM 706 CA THR A 49 9.480 -21.811 1.651 1.00 51.31 C ATOM 707 C THR A 49 8.442 -22.494 2.535 1.00 3.20 C ATOM 708 O THR A 49 8.420 -23.719 2.651 1.00 55.41 O ATOM 709 CB THR A 49 8.764 -21.133 0.468 1.00 40.10 C ATOM 710 OG1 THR A 49 8.032 -22.106 -0.285 1.00 34.44 O ATOM 711 CG2 THR A 49 9.764 -20.431 -0.438 1.00 72.54 C ATOM 0 H THR A 49 10.282 -23.183 0.283 1.00 35.43 H new ATOM 0 HA THR A 49 10.005 -21.052 2.231 1.00 51.31 H new ATOM 0 HB THR A 49 8.074 -20.390 0.867 1.00 40.10 H new ATOM 0 HG1 THR A 49 7.138 -21.758 -0.488 1.00 34.44 H new ATOM 0 HG21 THR A 49 9.236 -19.959 -1.267 1.00 72.54 H new ATOM 0 HG22 THR A 49 10.299 -19.671 0.131 1.00 72.54 H new ATOM 0 HG23 THR A 49 10.475 -21.159 -0.829 1.00 72.54 H new ATOM 719 N SER A 50 7.582 -21.693 3.156 1.00 13.14 N ATOM 720 CA SER A 50 6.543 -22.219 4.032 1.00 23.01 C ATOM 721 C SER A 50 5.161 -21.764 3.571 1.00 61.40 C ATOM 722 O SER A 50 5.003 -21.249 2.465 1.00 4.13 O ATOM 723 CB SER A 50 6.785 -21.769 5.474 1.00 14.25 C ATOM 724 OG SER A 50 8.137 -21.964 5.848 1.00 22.21 O ATOM 0 H SER A 50 7.585 -20.677 3.068 1.00 13.14 H new ATOM 0 HA SER A 50 6.582 -23.307 3.987 1.00 23.01 H new ATOM 0 HB2 SER A 50 6.524 -20.716 5.579 1.00 14.25 H new ATOM 0 HB3 SER A 50 6.134 -22.327 6.147 1.00 14.25 H new ATOM 0 HG SER A 50 8.267 -21.667 6.773 1.00 22.21 H new ATOM 730 N GLU A 51 4.164 -21.958 4.429 1.00 40.23 N ATOM 731 CA GLU A 51 2.795 -21.569 4.109 1.00 60.32 C ATOM 732 C GLU A 51 2.710 -20.075 3.811 1.00 42.55 C ATOM 733 O GLU A 51 1.755 -19.607 3.192 1.00 73.13 O ATOM 734 CB GLU A 51 1.857 -21.924 5.264 1.00 71.34 C ATOM 735 CG GLU A 51 2.400 -21.536 6.630 1.00 5.20 C ATOM 736 CD GLU A 51 1.401 -20.743 7.449 1.00 50.43 C ATOM 737 OE1 GLU A 51 0.279 -21.245 7.667 1.00 12.23 O ATOM 738 OE2 GLU A 51 1.743 -19.619 7.874 1.00 51.42 O1- ATOM 0 H GLU A 51 4.278 -22.382 5.350 1.00 40.23 H new ATOM 0 HA GLU A 51 2.487 -22.118 3.219 1.00 60.32 H new ATOM 0 HB2 GLU A 51 0.899 -21.428 5.109 1.00 71.34 H new ATOM 0 HB3 GLU A 51 1.666 -22.997 5.249 1.00 71.34 H new ATOM 0 HG2 GLU A 51 2.678 -22.437 7.176 1.00 5.20 H new ATOM 0 HG3 GLU A 51 3.309 -20.948 6.502 1.00 5.20 H new ATOM 745 N SER A 52 3.717 -19.330 4.258 1.00 0.31 N ATOM 746 CA SER A 52 3.755 -17.888 4.045 1.00 24.21 C ATOM 747 C SER A 52 4.469 -17.551 2.739 1.00 24.50 C ATOM 748 O SER A 52 4.350 -16.441 2.223 1.00 12.24 O ATOM 749 CB SER A 52 4.455 -17.196 5.217 1.00 63.01 C ATOM 750 OG SER A 52 3.971 -15.876 5.390 1.00 15.33 O ATOM 0 H SER A 52 4.517 -19.702 4.770 1.00 0.31 H new ATOM 0 HA SER A 52 2.728 -17.527 3.981 1.00 24.21 H new ATOM 0 HB2 SER A 52 4.294 -17.769 6.130 1.00 63.01 H new ATOM 0 HB3 SER A 52 5.530 -17.173 5.040 1.00 63.01 H new ATOM 0 HG SER A 52 4.690 -15.237 5.203 1.00 15.33 H new ATOM 756 N GLY A 53 5.213 -18.518 2.212 1.00 45.14 N ATOM 757 CA GLY A 53 5.937 -18.306 0.972 1.00 60.22 C ATOM 758 C GLY A 53 7.241 -17.563 1.182 1.00 74.10 C ATOM 759 O GLY A 53 7.987 -17.328 0.232 1.00 12.51 O ATOM 0 H GLY A 53 5.328 -19.445 2.622 1.00 45.14 H new ATOM 0 HA2 GLY A 53 6.142 -19.269 0.506 1.00 60.22 H new ATOM 0 HA3 GLY A 53 5.310 -17.744 0.280 1.00 60.22 H new ATOM 763 N GLU A 54 7.515 -17.193 2.429 1.00 43.33 N ATOM 764 CA GLU A 54 8.739 -16.471 2.758 1.00 51.21 C ATOM 765 C GLU A 54 9.830 -17.432 3.223 1.00 32.34 C ATOM 766 O GLU A 54 9.558 -18.403 3.930 1.00 45.34 O ATOM 767 CB GLU A 54 8.465 -15.430 3.846 1.00 52.21 C ATOM 768 CG GLU A 54 8.160 -16.036 5.206 1.00 3.13 C ATOM 769 CD GLU A 54 7.323 -15.121 6.078 1.00 12.04 C ATOM 770 OE1 GLU A 54 6.273 -14.643 5.599 1.00 73.43 O1- ATOM 771 OE2 GLU A 54 7.717 -14.881 7.238 1.00 3.21 O ATOM 0 H GLU A 54 6.908 -17.381 3.227 1.00 43.33 H new ATOM 0 HA GLU A 54 9.085 -15.964 1.857 1.00 51.21 H new ATOM 0 HB2 GLU A 54 9.331 -14.774 3.936 1.00 52.21 H new ATOM 0 HB3 GLU A 54 7.625 -14.808 3.538 1.00 52.21 H new ATOM 0 HG2 GLU A 54 7.635 -16.981 5.069 1.00 3.13 H new ATOM 0 HG3 GLU A 54 9.096 -16.262 5.717 1.00 3.13 H new ATOM 778 N LEU A 55 11.064 -17.156 2.817 1.00 2.41 N ATOM 779 CA LEU A 55 12.198 -17.995 3.190 1.00 22.44 C ATOM 780 C LEU A 55 13.302 -17.164 3.836 1.00 75.42 C ATOM 781 O LEU A 55 14.019 -16.429 3.156 1.00 42.00 O ATOM 782 CB LEU A 55 12.745 -18.722 1.960 1.00 1.43 C ATOM 783 CG LEU A 55 14.017 -19.543 2.176 1.00 62.34 C ATOM 784 CD1 LEU A 55 13.845 -20.495 3.350 1.00 65.40 C ATOM 785 CD2 LEU A 55 14.378 -20.310 0.913 1.00 12.22 C ATOM 0 H LEU A 55 11.305 -16.358 2.229 1.00 2.41 H new ATOM 0 HA LEU A 55 11.851 -18.730 3.916 1.00 22.44 H new ATOM 0 HB2 LEU A 55 11.968 -19.386 1.580 1.00 1.43 H new ATOM 0 HB3 LEU A 55 12.941 -17.983 1.183 1.00 1.43 H new ATOM 0 HG LEU A 55 14.833 -18.859 2.407 1.00 62.34 H new ATOM 0 HD11 LEU A 55 14.760 -21.071 3.489 1.00 65.40 H new ATOM 0 HD12 LEU A 55 13.635 -19.923 4.254 1.00 65.40 H new ATOM 0 HD13 LEU A 55 13.016 -21.174 3.150 1.00 65.40 H new ATOM 0 HD21 LEU A 55 15.286 -20.888 1.085 1.00 12.22 H new ATOM 0 HD22 LEU A 55 13.562 -20.984 0.651 1.00 12.22 H new ATOM 0 HD23 LEU A 55 14.545 -19.608 0.096 1.00 12.22 H new ATOM 797 N HIS A 56 13.434 -17.287 5.153 1.00 62.22 N ATOM 798 CA HIS A 56 14.453 -16.549 5.891 1.00 52.21 C ATOM 799 C HIS A 56 15.245 -17.481 6.803 1.00 65.14 C ATOM 800 O HIS A 56 14.815 -18.597 7.091 1.00 61.43 O ATOM 801 CB HIS A 56 13.809 -15.436 6.717 1.00 44.24 C ATOM 802 CG HIS A 56 12.570 -15.866 7.440 1.00 31.34 C ATOM 803 ND1 HIS A 56 12.591 -16.427 8.700 1.00 24.42 N ATOM 804 CD2 HIS A 56 11.268 -15.813 7.075 1.00 65.14 C ATOM 805 CE1 HIS A 56 11.355 -16.702 9.077 1.00 13.10 C ATOM 806 NE2 HIS A 56 10.533 -16.339 8.109 1.00 75.35 N ATOM 0 H HIS A 56 12.849 -17.890 5.731 1.00 62.22 H new ATOM 0 HA HIS A 56 15.139 -16.105 5.169 1.00 52.21 H new ATOM 0 HB2 HIS A 56 14.534 -15.068 7.443 1.00 44.24 H new ATOM 0 HB3 HIS A 56 13.565 -14.602 6.059 1.00 44.24 H new ATOM 0 HD2 HIS A 56 10.879 -15.429 6.144 1.00 65.14 H new ATOM 0 HE1 HIS A 56 11.066 -17.148 10.017 1.00 13.10 H new ATOM 0 HE2 HIS A 56 9.518 -16.434 8.127 1.00 75.35 H new ATOM 814 N GLY A 57 16.406 -17.015 7.254 1.00 54.50 N ATOM 815 CA GLY A 57 17.239 -17.820 8.128 1.00 51.11 C ATOM 816 C GLY A 57 18.348 -18.531 7.377 1.00 44.14 C ATOM 817 O GLY A 57 18.931 -19.492 7.881 1.00 3.50 O ATOM 0 H GLY A 57 16.784 -16.095 7.030 1.00 54.50 H new ATOM 0 HA2 GLY A 57 17.675 -17.183 8.897 1.00 51.11 H new ATOM 0 HA3 GLY A 57 16.619 -18.557 8.638 1.00 51.11 H new ATOM 821 N LEU A 58 18.639 -18.061 6.170 1.00 1.11 N ATOM 822 CA LEU A 58 19.685 -18.659 5.347 1.00 53.45 C ATOM 823 C LEU A 58 21.067 -18.346 5.911 1.00 62.15 C ATOM 824 O LEU A 58 21.856 -19.249 6.191 1.00 35.35 O ATOM 825 CB LEU A 58 19.581 -18.153 3.908 1.00 64.24 C ATOM 826 CG LEU A 58 18.596 -18.896 3.004 1.00 4.24 C ATOM 827 CD1 LEU A 58 18.538 -18.246 1.630 1.00 55.53 C ATOM 828 CD2 LEU A 58 18.982 -20.362 2.887 1.00 62.04 C ATOM 0 H LEU A 58 18.166 -17.267 5.739 1.00 1.11 H new ATOM 0 HA LEU A 58 19.546 -19.740 5.355 1.00 53.45 H new ATOM 0 HB2 LEU A 58 19.297 -17.101 3.934 1.00 64.24 H new ATOM 0 HB3 LEU A 58 20.570 -18.205 3.454 1.00 64.24 H new ATOM 0 HG LEU A 58 17.604 -18.837 3.453 1.00 4.24 H new ATOM 0 HD11 LEU A 58 17.832 -18.788 1.001 1.00 55.53 H new ATOM 0 HD12 LEU A 58 18.213 -17.210 1.731 1.00 55.53 H new ATOM 0 HD13 LEU A 58 19.527 -18.273 1.173 1.00 55.53 H new ATOM 0 HD21 LEU A 58 18.270 -20.875 2.240 1.00 62.04 H new ATOM 0 HD22 LEU A 58 19.982 -20.442 2.461 1.00 62.04 H new ATOM 0 HD23 LEU A 58 18.971 -20.821 3.875 1.00 62.04 H new ATOM 840 N THR A 59 21.355 -17.059 6.077 1.00 11.10 N ATOM 841 CA THR A 59 22.641 -16.626 6.608 1.00 32.02 C ATOM 842 C THR A 59 22.475 -15.438 7.550 1.00 65.34 C ATOM 843 O THR A 59 21.360 -14.978 7.796 1.00 12.31 O ATOM 844 CB THR A 59 23.613 -16.237 5.478 1.00 50.44 C ATOM 845 OG1 THR A 59 22.937 -15.436 4.503 1.00 55.13 O ATOM 846 CG2 THR A 59 24.190 -17.477 4.810 1.00 44.44 C ATOM 0 H THR A 59 20.714 -16.298 5.851 1.00 11.10 H new ATOM 0 HA THR A 59 23.055 -17.470 7.160 1.00 32.02 H new ATOM 0 HB THR A 59 24.431 -15.664 5.914 1.00 50.44 H new ATOM 0 HG1 THR A 59 23.493 -15.360 3.700 1.00 55.13 H new ATOM 0 HG21 THR A 59 24.873 -17.178 4.015 1.00 44.44 H new ATOM 0 HG22 THR A 59 24.730 -18.070 5.548 1.00 44.44 H new ATOM 0 HG23 THR A 59 23.381 -18.072 4.387 1.00 44.44 H new ATOM 854 N THR A 60 23.593 -14.947 8.077 1.00 54.44 N ATOM 855 CA THR A 60 23.571 -13.813 8.993 1.00 13.13 C ATOM 856 C THR A 60 24.130 -12.559 8.330 1.00 21.15 C ATOM 857 O THR A 60 24.672 -12.620 7.226 1.00 14.52 O ATOM 858 CB THR A 60 24.380 -14.108 10.270 1.00 25.41 C ATOM 859 OG1 THR A 60 25.701 -14.538 9.925 1.00 64.13 O ATOM 860 CG2 THR A 60 23.695 -15.177 11.109 1.00 52.01 C ATOM 0 H THR A 60 24.524 -15.317 7.885 1.00 54.44 H new ATOM 0 HA THR A 60 22.528 -13.644 9.262 1.00 13.13 H new ATOM 0 HB THR A 60 24.439 -13.191 10.856 1.00 25.41 H new ATOM 0 HG1 THR A 60 26.209 -14.722 10.743 1.00 64.13 H new ATOM 0 HG21 THR A 60 24.284 -15.369 12.006 1.00 52.01 H new ATOM 0 HG22 THR A 60 22.701 -14.834 11.395 1.00 52.01 H new ATOM 0 HG23 THR A 60 23.609 -16.095 10.528 1.00 52.01 H new ATOM 868 N GLU A 61 23.996 -11.425 9.010 1.00 22.20 N ATOM 869 CA GLU A 61 24.489 -10.158 8.486 1.00 34.44 C ATOM 870 C GLU A 61 26.009 -10.080 8.588 1.00 75.15 C ATOM 871 O GLU A 61 26.658 -9.367 7.823 1.00 20.20 O ATOM 872 CB GLU A 61 23.855 -8.987 9.241 1.00 63.34 C ATOM 873 CG GLU A 61 22.486 -8.592 8.713 1.00 15.31 C ATOM 874 CD GLU A 61 21.425 -9.636 9.004 1.00 74.31 C ATOM 875 OE1 GLU A 61 20.842 -9.598 10.108 1.00 53.10 O1- ATOM 876 OE2 GLU A 61 21.179 -10.492 8.128 1.00 31.33 O ATOM 0 H GLU A 61 23.550 -11.358 9.925 1.00 22.20 H new ATOM 0 HA GLU A 61 24.210 -10.097 7.434 1.00 34.44 H new ATOM 0 HB2 GLU A 61 23.766 -9.251 10.295 1.00 63.34 H new ATOM 0 HB3 GLU A 61 24.520 -8.125 9.183 1.00 63.34 H new ATOM 0 HG2 GLU A 61 22.189 -7.643 9.159 1.00 15.31 H new ATOM 0 HG3 GLU A 61 22.548 -8.433 7.636 1.00 15.31 H new ATOM 883 N GLU A 62 26.571 -10.819 9.539 1.00 42.53 N ATOM 884 CA GLU A 62 28.015 -10.833 9.743 1.00 43.33 C ATOM 885 C GLU A 62 28.698 -11.752 8.735 1.00 65.32 C ATOM 886 O GLU A 62 29.871 -11.572 8.412 1.00 62.24 O ATOM 887 CB GLU A 62 28.347 -11.283 11.168 1.00 54.13 C ATOM 888 CG GLU A 62 27.485 -10.624 12.230 1.00 32.32 C ATOM 889 CD GLU A 62 28.307 -9.995 13.340 1.00 63.21 C ATOM 890 OE1 GLU A 62 28.951 -8.955 13.084 1.00 12.42 O ATOM 891 OE2 GLU A 62 28.305 -10.542 14.462 1.00 22.34 O1- ATOM 0 H GLU A 62 26.049 -11.416 10.180 1.00 42.53 H new ATOM 0 HA GLU A 62 28.387 -9.819 9.594 1.00 43.33 H new ATOM 0 HB2 GLU A 62 28.229 -12.364 11.235 1.00 54.13 H new ATOM 0 HB3 GLU A 62 29.395 -11.064 11.375 1.00 54.13 H new ATOM 0 HG2 GLU A 62 26.863 -9.859 11.765 1.00 32.32 H new ATOM 0 HG3 GLU A 62 26.811 -11.366 12.658 1.00 32.32 H new ATOM 898 N GLU A 63 27.953 -12.737 8.242 1.00 72.05 N ATOM 899 CA GLU A 63 28.487 -13.685 7.272 1.00 4.24 C ATOM 900 C GLU A 63 28.180 -13.237 5.845 1.00 63.22 C ATOM 901 O GLU A 63 28.935 -13.523 4.916 1.00 24.32 O ATOM 902 CB GLU A 63 27.908 -15.081 7.514 1.00 2.20 C ATOM 903 CG GLU A 63 28.283 -16.091 6.445 1.00 63.03 C ATOM 904 CD GLU A 63 29.783 -16.280 6.321 1.00 12.25 C ATOM 905 OE1 GLU A 63 30.403 -16.754 7.296 1.00 44.51 O1- ATOM 906 OE2 GLU A 63 30.335 -15.954 5.250 1.00 13.21 O ATOM 0 H GLU A 63 26.979 -12.899 8.498 1.00 72.05 H new ATOM 0 HA GLU A 63 29.569 -13.721 7.399 1.00 4.24 H new ATOM 0 HB2 GLU A 63 28.253 -15.445 8.482 1.00 2.20 H new ATOM 0 HB3 GLU A 63 26.822 -15.010 7.569 1.00 2.20 H new ATOM 0 HG2 GLU A 63 27.818 -17.049 6.677 1.00 63.03 H new ATOM 0 HG3 GLU A 63 27.881 -15.765 5.486 1.00 63.03 H new ATOM 913 N PHE A 64 27.065 -12.532 5.681 1.00 65.55 N ATOM 914 CA PHE A 64 26.657 -12.043 4.369 1.00 2.44 C ATOM 915 C PHE A 64 27.488 -10.833 3.955 1.00 64.41 C ATOM 916 O PHE A 64 27.405 -9.769 4.569 1.00 23.03 O ATOM 917 CB PHE A 64 25.171 -11.677 4.378 1.00 11.52 C ATOM 918 CG PHE A 64 24.715 -10.988 3.124 1.00 62.32 C ATOM 919 CD1 PHE A 64 24.771 -9.608 3.017 1.00 2.21 C ATOM 920 CD2 PHE A 64 24.232 -11.721 2.052 1.00 23.14 C ATOM 921 CE1 PHE A 64 24.354 -8.970 1.864 1.00 22.10 C ATOM 922 CE2 PHE A 64 23.813 -11.089 0.896 1.00 23.23 C ATOM 923 CZ PHE A 64 23.873 -9.713 0.802 1.00 20.10 C ATOM 0 H PHE A 64 26.429 -12.287 6.440 1.00 65.55 H new ATOM 0 HA PHE A 64 26.824 -12.840 3.644 1.00 2.44 H new ATOM 0 HB2 PHE A 64 24.583 -12.584 4.519 1.00 11.52 H new ATOM 0 HB3 PHE A 64 24.970 -11.030 5.232 1.00 11.52 H new ATOM 0 HD1 PHE A 64 25.145 -9.024 3.845 1.00 2.21 H new ATOM 0 HD2 PHE A 64 24.182 -12.798 2.120 1.00 23.14 H new ATOM 0 HE1 PHE A 64 24.404 -7.893 1.793 1.00 22.10 H new ATOM 0 HE2 PHE A 64 23.439 -11.671 0.067 1.00 23.23 H new ATOM 0 HZ PHE A 64 23.545 -9.218 -0.100 1.00 20.10 H new ATOM 933 N VAL A 65 28.292 -11.004 2.910 1.00 21.05 N ATOM 934 CA VAL A 65 29.138 -9.926 2.413 1.00 15.40 C ATOM 935 C VAL A 65 28.518 -9.258 1.191 1.00 44.42 C ATOM 936 O VAL A 65 27.435 -9.640 0.746 1.00 15.41 O ATOM 937 CB VAL A 65 30.543 -10.441 2.045 1.00 4.22 C ATOM 938 CG1 VAL A 65 31.254 -10.977 3.277 1.00 44.35 C ATOM 939 CG2 VAL A 65 30.452 -11.507 0.964 1.00 3.14 C ATOM 0 H VAL A 65 28.375 -11.879 2.392 1.00 21.05 H new ATOM 0 HA VAL A 65 29.225 -9.195 3.217 1.00 15.40 H new ATOM 0 HB VAL A 65 31.126 -9.608 1.653 1.00 4.22 H new ATOM 0 HG11 VAL A 65 32.245 -11.336 2.998 1.00 44.35 H new ATOM 0 HG12 VAL A 65 31.351 -10.182 4.016 1.00 44.35 H new ATOM 0 HG13 VAL A 65 30.677 -11.798 3.702 1.00 44.35 H new ATOM 0 HG21 VAL A 65 31.453 -11.860 0.716 1.00 3.14 H new ATOM 0 HG22 VAL A 65 29.852 -12.342 1.326 1.00 3.14 H new ATOM 0 HG23 VAL A 65 29.985 -11.084 0.074 1.00 3.14 H new ATOM 949 N GLU A 66 29.210 -8.259 0.653 1.00 71.12 N ATOM 950 CA GLU A 66 28.726 -7.539 -0.519 1.00 72.12 C ATOM 951 C GLU A 66 29.030 -8.313 -1.798 1.00 23.14 C ATOM 952 O GLU A 66 29.891 -9.190 -1.816 1.00 1.30 O ATOM 953 CB GLU A 66 29.361 -6.147 -0.587 1.00 3.54 C ATOM 954 CG GLU A 66 28.482 -5.111 -1.267 1.00 73.15 C ATOM 955 CD GLU A 66 28.877 -3.690 -0.913 1.00 11.41 C ATOM 956 OE1 GLU A 66 29.962 -3.251 -1.348 1.00 63.51 O ATOM 957 OE2 GLU A 66 28.101 -3.019 -0.202 1.00 4.44 O1- ATOM 0 H GLU A 66 30.107 -7.930 1.010 1.00 71.12 H new ATOM 0 HA GLU A 66 27.645 -7.434 -0.429 1.00 72.12 H new ATOM 0 HB2 GLU A 66 29.589 -5.811 0.425 1.00 3.54 H new ATOM 0 HB3 GLU A 66 30.309 -6.215 -1.121 1.00 3.54 H new ATOM 0 HG2 GLU A 66 28.541 -5.242 -2.347 1.00 73.15 H new ATOM 0 HG3 GLU A 66 27.443 -5.277 -0.982 1.00 73.15 H new ATOM 964 N GLY A 67 28.314 -7.979 -2.868 1.00 24.52 N ATOM 965 CA GLY A 67 28.522 -8.651 -4.138 1.00 43.11 C ATOM 966 C GLY A 67 27.223 -9.123 -4.762 1.00 53.01 C ATOM 967 O GLY A 67 26.148 -8.929 -4.195 1.00 30.33 O ATOM 0 H GLY A 67 27.595 -7.256 -2.878 1.00 24.52 H new ATOM 0 HA2 GLY A 67 29.027 -7.973 -4.826 1.00 43.11 H new ATOM 0 HA3 GLY A 67 29.182 -9.505 -3.990 1.00 43.11 H new ATOM 971 N ILE A 68 27.322 -9.740 -5.935 1.00 63.14 N ATOM 972 CA ILE A 68 26.147 -10.239 -6.637 1.00 74.20 C ATOM 973 C ILE A 68 25.787 -11.647 -6.176 1.00 31.45 C ATOM 974 O ILE A 68 26.661 -12.435 -5.813 1.00 12.54 O ATOM 975 CB ILE A 68 26.364 -10.250 -8.162 1.00 73.34 C ATOM 976 CG1 ILE A 68 26.923 -8.904 -8.629 1.00 50.12 C ATOM 977 CG2 ILE A 68 25.061 -10.566 -8.879 1.00 20.00 C ATOM 978 CD1 ILE A 68 28.435 -8.858 -8.666 1.00 72.12 C ATOM 0 H ILE A 68 28.204 -9.906 -6.419 1.00 63.14 H new ATOM 0 HA ILE A 68 25.327 -9.561 -6.400 1.00 74.20 H new ATOM 0 HB ILE A 68 27.088 -11.027 -8.406 1.00 73.34 H new ATOM 0 HG12 ILE A 68 26.536 -8.685 -9.624 1.00 50.12 H new ATOM 0 HG13 ILE A 68 26.560 -8.119 -7.966 1.00 50.12 H new ATOM 0 HG21 ILE A 68 25.230 -10.570 -9.956 1.00 20.00 H new ATOM 0 HG22 ILE A 68 24.701 -11.545 -8.564 1.00 20.00 H new ATOM 0 HG23 ILE A 68 24.317 -9.809 -8.632 1.00 20.00 H new ATOM 0 HD11 ILE A 68 28.761 -7.875 -9.006 1.00 72.12 H new ATOM 0 HD12 ILE A 68 28.829 -9.046 -7.667 1.00 72.12 H new ATOM 0 HD13 ILE A 68 28.806 -9.620 -9.352 1.00 72.12 H new ATOM 990 N TYR A 69 24.496 -11.958 -6.194 1.00 70.53 N ATOM 991 CA TYR A 69 24.019 -13.272 -5.777 1.00 5.55 C ATOM 992 C TYR A 69 22.959 -13.797 -6.740 1.00 31.10 C ATOM 993 O TYR A 69 22.158 -13.033 -7.277 1.00 43.33 O ATOM 994 CB TYR A 69 23.450 -13.205 -4.360 1.00 75.15 C ATOM 995 CG TYR A 69 24.483 -12.875 -3.307 1.00 74.35 C ATOM 996 CD1 TYR A 69 24.906 -11.566 -3.106 1.00 43.05 C ATOM 997 CD2 TYR A 69 25.035 -13.871 -2.510 1.00 31.25 C ATOM 998 CE1 TYR A 69 25.851 -11.261 -2.146 1.00 42.14 C ATOM 999 CE2 TYR A 69 25.979 -13.574 -1.546 1.00 72.34 C ATOM 1000 CZ TYR A 69 26.383 -12.268 -1.368 1.00 12.51 C ATOM 1001 OH TYR A 69 27.324 -11.967 -0.409 1.00 52.05 O ATOM 0 H TYR A 69 23.760 -11.318 -6.493 1.00 70.53 H new ATOM 0 HA TYR A 69 24.865 -13.959 -5.788 1.00 5.55 H new ATOM 0 HB2 TYR A 69 22.660 -12.454 -4.330 1.00 75.15 H new ATOM 0 HB3 TYR A 69 22.989 -14.162 -4.117 1.00 75.15 H new ATOM 0 HD1 TYR A 69 24.489 -10.774 -3.711 1.00 43.05 H new ATOM 0 HD2 TYR A 69 24.720 -14.895 -2.647 1.00 31.25 H new ATOM 0 HE1 TYR A 69 26.172 -10.239 -2.005 1.00 42.14 H new ATOM 0 HE2 TYR A 69 26.398 -14.360 -0.936 1.00 72.34 H new ATOM 0 HH TYR A 69 27.316 -11.003 -0.234 1.00 52.05 H new ATOM 1011 N LYS A 70 22.962 -15.109 -6.953 1.00 53.33 N ATOM 1012 CA LYS A 70 21.999 -15.741 -7.849 1.00 53.10 C ATOM 1013 C LYS A 70 21.090 -16.696 -7.084 1.00 14.23 C ATOM 1014 O LYS A 70 21.560 -17.534 -6.312 1.00 71.33 O ATOM 1015 CB LYS A 70 22.728 -16.496 -8.962 1.00 4.23 C ATOM 1016 CG LYS A 70 21.808 -16.992 -10.065 1.00 73.02 C ATOM 1017 CD LYS A 70 22.503 -18.003 -10.960 1.00 24.44 C ATOM 1018 CE LYS A 70 22.586 -19.370 -10.298 1.00 24.25 C ATOM 1019 NZ LYS A 70 23.265 -20.368 -11.169 1.00 5.14 N1+ ATOM 0 H LYS A 70 23.620 -15.755 -6.518 1.00 53.33 H new ATOM 0 HA LYS A 70 21.383 -14.958 -8.292 1.00 53.10 H new ATOM 0 HB2 LYS A 70 23.484 -15.843 -9.398 1.00 4.23 H new ATOM 0 HB3 LYS A 70 23.253 -17.347 -8.528 1.00 4.23 H new ATOM 0 HG2 LYS A 70 20.921 -17.446 -9.623 1.00 73.02 H new ATOM 0 HG3 LYS A 70 21.469 -16.147 -10.664 1.00 73.02 H new ATOM 0 HD2 LYS A 70 21.963 -18.087 -11.903 1.00 24.44 H new ATOM 0 HD3 LYS A 70 23.507 -17.651 -11.197 1.00 24.44 H new ATOM 0 HE2 LYS A 70 23.126 -19.284 -9.355 1.00 24.25 H new ATOM 0 HE3 LYS A 70 21.581 -19.720 -10.060 1.00 24.25 H new ATOM 0 HZ1 LYS A 70 22.626 -21.170 -11.341 1.00 5.14 H new ATOM 0 HZ2 LYS A 70 23.515 -19.924 -12.076 1.00 5.14 H new ATOM 0 HZ3 LYS A 70 24.129 -20.708 -10.700 1.00 5.14 H new ATOM 1033 N VAL A 71 19.785 -16.568 -7.302 1.00 73.11 N ATOM 1034 CA VAL A 71 18.810 -17.422 -6.635 1.00 34.45 C ATOM 1035 C VAL A 71 18.113 -18.342 -7.631 1.00 63.22 C ATOM 1036 O VAL A 71 17.741 -17.920 -8.725 1.00 63.42 O ATOM 1037 CB VAL A 71 17.749 -16.589 -5.894 1.00 32.41 C ATOM 1038 CG1 VAL A 71 16.678 -17.493 -5.300 1.00 2.33 C ATOM 1039 CG2 VAL A 71 18.398 -15.738 -4.813 1.00 13.51 C ATOM 0 H VAL A 71 19.379 -15.880 -7.936 1.00 73.11 H new ATOM 0 HA VAL A 71 19.359 -18.024 -5.911 1.00 34.45 H new ATOM 0 HB VAL A 71 17.271 -15.922 -6.612 1.00 32.41 H new ATOM 0 HG11 VAL A 71 15.937 -16.886 -4.780 1.00 2.33 H new ATOM 0 HG12 VAL A 71 16.192 -18.054 -6.098 1.00 2.33 H new ATOM 0 HG13 VAL A 71 17.137 -18.187 -4.596 1.00 2.33 H new ATOM 0 HG21 VAL A 71 17.633 -15.156 -4.300 1.00 13.51 H new ATOM 0 HG22 VAL A 71 18.904 -16.384 -4.096 1.00 13.51 H new ATOM 0 HG23 VAL A 71 19.123 -15.063 -5.268 1.00 13.51 H new ATOM 1049 N GLU A 72 17.941 -19.602 -7.243 1.00 52.24 N ATOM 1050 CA GLU A 72 17.289 -20.582 -8.104 1.00 34.02 C ATOM 1051 C GLU A 72 16.101 -21.226 -7.393 1.00 45.41 C ATOM 1052 O GLU A 72 16.251 -21.818 -6.323 1.00 32.53 O ATOM 1053 CB GLU A 72 18.285 -21.662 -8.533 1.00 24.24 C ATOM 1054 CG GLU A 72 19.397 -21.141 -9.429 1.00 50.22 C ATOM 1055 CD GLU A 72 20.088 -22.247 -10.203 1.00 65.25 C ATOM 1056 OE1 GLU A 72 19.786 -23.430 -9.945 1.00 13.41 O ATOM 1057 OE2 GLU A 72 20.931 -21.927 -11.068 1.00 24.10 O1- ATOM 0 H GLU A 72 18.243 -19.967 -6.340 1.00 52.24 H new ATOM 0 HA GLU A 72 16.924 -20.062 -8.990 1.00 34.02 H new ATOM 0 HB2 GLU A 72 18.727 -22.112 -7.644 1.00 24.24 H new ATOM 0 HB3 GLU A 72 17.748 -22.453 -9.057 1.00 24.24 H new ATOM 0 HG2 GLU A 72 18.984 -20.415 -10.130 1.00 50.22 H new ATOM 0 HG3 GLU A 72 20.132 -20.614 -8.821 1.00 50.22 H new ATOM 1064 N ILE A 73 14.923 -21.105 -7.994 1.00 61.12 N ATOM 1065 CA ILE A 73 13.711 -21.674 -7.419 1.00 75.21 C ATOM 1066 C ILE A 73 13.266 -22.914 -8.189 1.00 61.50 C ATOM 1067 O ILE A 73 13.245 -22.917 -9.421 1.00 61.15 O ATOM 1068 CB ILE A 73 12.559 -20.651 -7.407 1.00 41.15 C ATOM 1069 CG1 ILE A 73 13.044 -19.312 -6.850 1.00 2.24 C ATOM 1070 CG2 ILE A 73 11.391 -21.180 -6.587 1.00 45.44 C ATOM 1071 CD1 ILE A 73 11.988 -18.230 -6.869 1.00 64.32 C ATOM 0 H ILE A 73 14.782 -20.618 -8.879 1.00 61.12 H new ATOM 0 HA ILE A 73 13.950 -21.952 -6.393 1.00 75.21 H new ATOM 0 HB ILE A 73 12.219 -20.496 -8.431 1.00 41.15 H new ATOM 0 HG12 ILE A 73 13.385 -19.457 -5.825 1.00 2.24 H new ATOM 0 HG13 ILE A 73 13.905 -18.978 -7.429 1.00 2.24 H new ATOM 0 HG21 ILE A 73 10.585 -20.447 -6.587 1.00 45.44 H new ATOM 0 HG22 ILE A 73 11.033 -22.113 -7.023 1.00 45.44 H new ATOM 0 HG23 ILE A 73 11.717 -21.360 -5.563 1.00 45.44 H new ATOM 0 HD11 ILE A 73 12.403 -17.309 -6.459 1.00 64.32 H new ATOM 0 HD12 ILE A 73 11.663 -18.057 -7.895 1.00 64.32 H new ATOM 0 HD13 ILE A 73 11.135 -18.543 -6.266 1.00 64.32 H new ATOM 1083 N ASP A 74 12.909 -23.962 -7.457 1.00 20.43 N ATOM 1084 CA ASP A 74 12.462 -25.208 -8.071 1.00 51.21 C ATOM 1085 C ASP A 74 10.942 -25.322 -8.022 1.00 25.22 C ATOM 1086 O ASP A 74 10.382 -25.910 -7.096 1.00 75.54 O ATOM 1087 CB ASP A 74 13.099 -26.406 -7.367 1.00 1.22 C ATOM 1088 CG ASP A 74 14.548 -26.608 -7.765 1.00 72.00 C ATOM 1089 OD1 ASP A 74 15.092 -25.745 -8.486 1.00 14.52 O1- ATOM 1090 OD2 ASP A 74 15.139 -27.629 -7.355 1.00 5.22 O ATOM 0 H ASP A 74 12.920 -23.975 -6.437 1.00 20.43 H new ATOM 0 HA ASP A 74 12.775 -25.203 -9.115 1.00 51.21 H new ATOM 0 HB2 ASP A 74 13.038 -26.264 -6.288 1.00 1.22 H new ATOM 0 HB3 ASP A 74 12.532 -27.306 -7.603 1.00 1.22 H new ATOM 1095 N THR A 75 10.278 -24.755 -9.025 1.00 25.23 N ATOM 1096 CA THR A 75 8.822 -24.792 -9.095 1.00 73.01 C ATOM 1097 C THR A 75 8.318 -26.212 -9.326 1.00 65.31 C ATOM 1098 O THR A 75 7.203 -26.557 -8.936 1.00 53.44 O ATOM 1099 CB THR A 75 8.291 -23.881 -10.218 1.00 32.14 C ATOM 1100 OG1 THR A 75 8.522 -24.491 -11.493 1.00 31.11 O ATOM 1101 CG2 THR A 75 8.963 -22.518 -10.173 1.00 30.20 C ATOM 0 H THR A 75 10.725 -24.265 -9.800 1.00 25.23 H new ATOM 0 HA THR A 75 8.450 -24.430 -8.137 1.00 73.01 H new ATOM 0 HB THR A 75 7.220 -23.745 -10.069 1.00 32.14 H new ATOM 0 HG1 THR A 75 7.820 -25.151 -11.672 1.00 31.11 H new ATOM 0 HG21 THR A 75 8.572 -21.893 -10.975 1.00 30.20 H new ATOM 0 HG22 THR A 75 8.761 -22.044 -9.212 1.00 30.20 H new ATOM 0 HG23 THR A 75 10.039 -22.638 -10.299 1.00 30.20 H new ATOM 1109 N LYS A 76 9.148 -27.033 -9.961 1.00 33.31 N ATOM 1110 CA LYS A 76 8.787 -28.417 -10.244 1.00 53.53 C ATOM 1111 C LYS A 76 8.376 -29.143 -8.966 1.00 52.22 C ATOM 1112 O LYS A 76 7.496 -30.004 -8.986 1.00 33.40 O ATOM 1113 CB LYS A 76 9.961 -29.147 -10.901 1.00 42.11 C ATOM 1114 CG LYS A 76 11.239 -29.107 -10.083 1.00 35.11 C ATOM 1115 CD LYS A 76 11.408 -30.369 -9.252 1.00 64.45 C ATOM 1116 CE LYS A 76 12.179 -31.437 -10.012 1.00 4.34 C ATOM 1117 NZ LYS A 76 11.958 -32.793 -9.440 1.00 11.00 N1+ ATOM 0 H LYS A 76 10.075 -26.764 -10.289 1.00 33.31 H new ATOM 0 HA LYS A 76 7.939 -28.413 -10.929 1.00 53.53 H new ATOM 0 HB2 LYS A 76 9.681 -30.187 -11.071 1.00 42.11 H new ATOM 0 HB3 LYS A 76 10.152 -28.704 -11.878 1.00 42.11 H new ATOM 0 HG2 LYS A 76 12.095 -28.991 -10.748 1.00 35.11 H new ATOM 0 HG3 LYS A 76 11.225 -28.237 -9.427 1.00 35.11 H new ATOM 0 HD2 LYS A 76 11.932 -30.129 -8.327 1.00 64.45 H new ATOM 0 HD3 LYS A 76 10.428 -30.756 -8.972 1.00 64.45 H new ATOM 0 HE2 LYS A 76 11.874 -31.430 -11.058 1.00 4.34 H new ATOM 0 HE3 LYS A 76 13.243 -31.202 -9.989 1.00 4.34 H new ATOM 0 HZ1 LYS A 76 12.500 -33.493 -9.986 1.00 11.00 H new ATOM 0 HZ2 LYS A 76 12.273 -32.807 -8.449 1.00 11.00 H new ATOM 0 HZ3 LYS A 76 10.946 -33.028 -9.485 1.00 11.00 H new ATOM 1131 N SER A 77 9.017 -28.789 -7.857 1.00 50.35 N ATOM 1132 CA SER A 77 8.719 -29.409 -6.570 1.00 24.21 C ATOM 1133 C SER A 77 7.329 -29.010 -6.085 1.00 74.33 C ATOM 1134 O SER A 77 6.654 -29.779 -5.399 1.00 24.13 O ATOM 1135 CB SER A 77 9.769 -29.009 -5.533 1.00 2.11 C ATOM 1136 OG SER A 77 11.077 -29.298 -5.992 1.00 64.04 O ATOM 0 H SER A 77 9.746 -28.076 -7.823 1.00 50.35 H new ATOM 0 HA SER A 77 8.742 -30.491 -6.700 1.00 24.21 H new ATOM 0 HB2 SER A 77 9.683 -27.944 -5.317 1.00 2.11 H new ATOM 0 HB3 SER A 77 9.583 -29.540 -4.599 1.00 2.11 H new ATOM 0 HG SER A 77 11.729 -29.031 -5.311 1.00 64.04 H new ATOM 1142 N TYR A 78 6.907 -27.803 -6.445 1.00 62.35 N ATOM 1143 CA TYR A 78 5.598 -27.299 -6.045 1.00 72.42 C ATOM 1144 C TYR A 78 4.512 -27.784 -7.001 1.00 51.41 C ATOM 1145 O TYR A 78 3.349 -27.918 -6.620 1.00 23.54 O ATOM 1146 CB TYR A 78 5.609 -25.770 -6.000 1.00 12.14 C ATOM 1147 CG TYR A 78 4.329 -25.172 -5.462 1.00 1.42 C ATOM 1148 CD1 TYR A 78 3.847 -25.524 -4.208 1.00 30.23 C ATOM 1149 CD2 TYR A 78 3.600 -24.253 -6.209 1.00 70.41 C ATOM 1150 CE1 TYR A 78 2.677 -24.981 -3.713 1.00 24.52 C ATOM 1151 CE2 TYR A 78 2.431 -23.704 -5.721 1.00 34.34 C ATOM 1152 CZ TYR A 78 1.974 -24.071 -4.473 1.00 21.50 C ATOM 1153 OH TYR A 78 0.808 -23.526 -3.985 1.00 72.23 O ATOM 0 H TYR A 78 7.452 -27.155 -7.013 1.00 62.35 H new ATOM 0 HA TYR A 78 5.377 -27.683 -5.049 1.00 72.42 H new ATOM 0 HB2 TYR A 78 6.443 -25.439 -5.381 1.00 12.14 H new ATOM 0 HB3 TYR A 78 5.785 -25.386 -7.005 1.00 12.14 H new ATOM 0 HD1 TYR A 78 4.397 -26.235 -3.609 1.00 30.23 H new ATOM 0 HD2 TYR A 78 3.954 -23.964 -7.187 1.00 70.41 H new ATOM 0 HE1 TYR A 78 2.315 -25.268 -2.737 1.00 24.52 H new ATOM 0 HE2 TYR A 78 1.877 -22.991 -6.314 1.00 34.34 H new ATOM 0 HH TYR A 78 0.798 -22.562 -4.162 1.00 72.23 H new ATOM 1163 N TRP A 79 4.901 -28.045 -8.243 1.00 73.24 N ATOM 1164 CA TRP A 79 3.962 -28.515 -9.255 1.00 62.55 C ATOM 1165 C TRP A 79 3.670 -30.001 -9.078 1.00 11.32 C ATOM 1166 O TRP A 79 2.619 -30.491 -9.491 1.00 34.45 O ATOM 1167 CB TRP A 79 4.517 -28.254 -10.656 1.00 35.20 C ATOM 1168 CG TRP A 79 4.684 -26.798 -10.967 1.00 34.11 C ATOM 1169 CD1 TRP A 79 5.805 -26.188 -11.453 1.00 52.43 C ATOM 1170 CD2 TRP A 79 3.701 -25.769 -10.811 1.00 52.00 C ATOM 1171 NE1 TRP A 79 5.578 -24.841 -11.609 1.00 13.12 N ATOM 1172 CE2 TRP A 79 4.293 -24.560 -11.223 1.00 75.53 C ATOM 1173 CE3 TRP A 79 2.376 -25.752 -10.366 1.00 50.52 C ATOM 1174 CZ2 TRP A 79 3.607 -23.349 -11.200 1.00 52.21 C ATOM 1175 CZ3 TRP A 79 1.697 -24.550 -10.344 1.00 34.34 C ATOM 1176 CH2 TRP A 79 2.311 -23.362 -10.759 1.00 2.41 C ATOM 0 H TRP A 79 5.860 -27.939 -8.574 1.00 73.24 H new ATOM 0 HA TRP A 79 3.029 -27.964 -9.134 1.00 62.55 H new ATOM 0 HB2 TRP A 79 5.481 -28.752 -10.756 1.00 35.20 H new ATOM 0 HB3 TRP A 79 3.849 -28.701 -11.393 1.00 35.20 H new ATOM 0 HD1 TRP A 79 6.734 -26.690 -11.681 1.00 52.43 H new ATOM 0 HE1 TRP A 79 6.255 -24.162 -11.955 1.00 13.12 H new ATOM 0 HE3 TRP A 79 1.892 -26.663 -10.045 1.00 50.52 H new ATOM 0 HZ2 TRP A 79 4.080 -22.432 -11.519 1.00 52.21 H new ATOM 0 HZ3 TRP A 79 0.673 -24.526 -10.000 1.00 34.34 H new ATOM 0 HH2 TRP A 79 1.752 -22.439 -10.731 1.00 2.41 H new ATOM 1187 N LYS A 80 4.607 -30.714 -8.463 1.00 14.35 N ATOM 1188 CA LYS A 80 4.451 -32.146 -8.230 1.00 74.13 C ATOM 1189 C LYS A 80 3.564 -32.405 -7.017 1.00 72.35 C ATOM 1190 O LYS A 80 3.003 -33.490 -6.868 1.00 42.42 O ATOM 1191 CB LYS A 80 5.819 -32.802 -8.025 1.00 2.35 C ATOM 1192 CG LYS A 80 6.398 -32.580 -6.638 1.00 11.13 C ATOM 1193 CD LYS A 80 6.309 -33.838 -5.790 1.00 4.54 C ATOM 1194 CE LYS A 80 7.571 -34.679 -5.906 1.00 14.23 C ATOM 1195 NZ LYS A 80 8.617 -34.247 -4.939 1.00 15.12 N1+ ATOM 0 H LYS A 80 5.483 -30.324 -8.116 1.00 14.35 H new ATOM 0 HA LYS A 80 3.974 -32.583 -9.107 1.00 74.13 H new ATOM 0 HB2 LYS A 80 5.730 -33.873 -8.205 1.00 2.35 H new ATOM 0 HB3 LYS A 80 6.515 -32.411 -8.767 1.00 2.35 H new ATOM 0 HG2 LYS A 80 7.440 -32.270 -6.723 1.00 11.13 H new ATOM 0 HG3 LYS A 80 5.863 -31.769 -6.145 1.00 11.13 H new ATOM 0 HD2 LYS A 80 6.147 -33.564 -4.747 1.00 4.54 H new ATOM 0 HD3 LYS A 80 5.447 -34.428 -6.102 1.00 4.54 H new ATOM 0 HE2 LYS A 80 7.326 -35.727 -5.732 1.00 14.23 H new ATOM 0 HE3 LYS A 80 7.963 -34.608 -6.921 1.00 14.23 H new ATOM 0 HZ1 LYS A 80 9.461 -34.845 -5.050 1.00 15.12 H new ATOM 0 HZ2 LYS A 80 8.869 -33.255 -5.121 1.00 15.12 H new ATOM 0 HZ3 LYS A 80 8.253 -34.339 -3.969 1.00 15.12 H new ATOM 1209 N ALA A 81 3.440 -31.402 -6.155 1.00 25.24 N ATOM 1210 CA ALA A 81 2.618 -31.522 -4.957 1.00 60.14 C ATOM 1211 C ALA A 81 1.144 -31.677 -5.316 1.00 25.04 C ATOM 1212 O ALA A 81 0.404 -32.402 -4.649 1.00 75.40 O ATOM 1213 CB ALA A 81 2.818 -30.312 -4.056 1.00 62.23 C ATOM 0 H ALA A 81 3.898 -30.497 -6.264 1.00 25.24 H new ATOM 0 HA ALA A 81 2.931 -32.417 -4.420 1.00 60.14 H new ATOM 0 HB1 ALA A 81 2.198 -30.415 -3.165 1.00 62.23 H new ATOM 0 HB2 ALA A 81 3.866 -30.246 -3.763 1.00 62.23 H new ATOM 0 HB3 ALA A 81 2.533 -29.407 -4.593 1.00 62.23 H new ATOM 1219 N LEU A 82 0.721 -30.989 -6.372 1.00 43.21 N ATOM 1220 CA LEU A 82 -0.666 -31.051 -6.819 1.00 42.14 C ATOM 1221 C LEU A 82 -0.783 -31.834 -8.124 1.00 63.11 C ATOM 1222 O LEU A 82 -1.848 -32.356 -8.452 1.00 71.54 O ATOM 1223 CB LEU A 82 -1.224 -29.639 -7.008 1.00 1.31 C ATOM 1224 CG LEU A 82 -0.191 -28.517 -7.114 1.00 42.43 C ATOM 1225 CD1 LEU A 82 0.634 -28.670 -8.383 1.00 30.23 C ATOM 1226 CD2 LEU A 82 -0.874 -27.158 -7.080 1.00 52.23 C ATOM 0 H LEU A 82 1.319 -30.383 -6.934 1.00 43.21 H new ATOM 0 HA LEU A 82 -1.246 -31.566 -6.054 1.00 42.14 H new ATOM 0 HB2 LEU A 82 -1.835 -29.629 -7.911 1.00 1.31 H new ATOM 0 HB3 LEU A 82 -1.887 -29.417 -6.172 1.00 1.31 H new ATOM 0 HG LEU A 82 0.480 -28.585 -6.258 1.00 42.43 H new ATOM 0 HD11 LEU A 82 1.364 -27.863 -8.442 1.00 30.23 H new ATOM 0 HD12 LEU A 82 1.153 -29.628 -8.366 1.00 30.23 H new ATOM 0 HD13 LEU A 82 -0.023 -28.629 -9.252 1.00 30.23 H new ATOM 0 HD21 LEU A 82 -0.123 -26.371 -7.157 1.00 52.23 H new ATOM 0 HD22 LEU A 82 -1.569 -27.079 -7.916 1.00 52.23 H new ATOM 0 HD23 LEU A 82 -1.420 -27.049 -6.143 1.00 52.23 H new ATOM 1238 N GLY A 83 0.319 -31.914 -8.861 1.00 74.15 N ATOM 1239 CA GLY A 83 0.320 -32.637 -10.119 1.00 24.44 C ATOM 1240 C GLY A 83 -0.010 -31.747 -11.300 1.00 53.33 C ATOM 1241 O GLY A 83 -0.827 -32.107 -12.149 1.00 44.53 O ATOM 0 H GLY A 83 1.212 -31.491 -8.610 1.00 74.15 H new ATOM 0 HA2 GLY A 83 1.299 -33.091 -10.273 1.00 24.44 H new ATOM 0 HA3 GLY A 83 -0.404 -33.450 -10.068 1.00 24.44 H new ATOM 1245 N ILE A 84 0.624 -30.580 -11.355 1.00 11.52 N ATOM 1246 CA ILE A 84 0.392 -29.636 -12.441 1.00 73.53 C ATOM 1247 C ILE A 84 1.347 -29.888 -13.602 1.00 73.31 C ATOM 1248 O ILE A 84 2.521 -30.201 -13.398 1.00 12.13 O ATOM 1249 CB ILE A 84 0.554 -28.180 -11.964 1.00 20.52 C ATOM 1250 CG1 ILE A 84 -0.814 -27.563 -11.666 1.00 42.11 C ATOM 1251 CG2 ILE A 84 1.295 -27.360 -13.010 1.00 54.52 C ATOM 1252 CD1 ILE A 84 -1.693 -28.433 -10.796 1.00 31.45 C ATOM 0 H ILE A 84 1.302 -30.266 -10.660 1.00 11.52 H new ATOM 0 HA ILE A 84 -0.633 -29.788 -12.778 1.00 73.53 H new ATOM 0 HB ILE A 84 1.141 -28.177 -11.045 1.00 20.52 H new ATOM 0 HG12 ILE A 84 -0.670 -26.600 -11.175 1.00 42.11 H new ATOM 0 HG13 ILE A 84 -1.328 -27.367 -12.607 1.00 42.11 H new ATOM 0 HG21 ILE A 84 1.402 -26.334 -12.659 1.00 54.52 H new ATOM 0 HG22 ILE A 84 2.282 -27.791 -13.178 1.00 54.52 H new ATOM 0 HG23 ILE A 84 0.732 -27.367 -13.944 1.00 54.52 H new ATOM 0 HD11 ILE A 84 -2.646 -27.932 -10.626 1.00 31.45 H new ATOM 0 HD12 ILE A 84 -1.868 -29.387 -11.294 1.00 31.45 H new ATOM 0 HD13 ILE A 84 -1.200 -28.608 -9.840 1.00 31.45 H new ATOM 1264 N SER A 85 0.838 -29.748 -14.822 1.00 52.21 N ATOM 1265 CA SER A 85 1.645 -29.962 -16.017 1.00 24.12 C ATOM 1266 C SER A 85 2.923 -29.130 -15.966 1.00 3.33 C ATOM 1267 O SER A 85 2.901 -27.904 -16.084 1.00 53.24 O ATOM 1268 CB SER A 85 0.843 -29.608 -17.270 1.00 54.52 C ATOM 1269 OG SER A 85 1.496 -30.068 -18.441 1.00 23.32 O ATOM 0 H SER A 85 -0.130 -29.487 -15.009 1.00 52.21 H new ATOM 0 HA SER A 85 1.919 -31.016 -16.056 1.00 24.12 H new ATOM 0 HB2 SER A 85 -0.151 -30.051 -17.206 1.00 54.52 H new ATOM 0 HB3 SER A 85 0.708 -28.528 -17.326 1.00 54.52 H new ATOM 0 HG SER A 85 0.962 -29.831 -19.228 1.00 23.32 H new ATOM 1275 N PRO A 86 4.065 -29.810 -15.786 1.00 42.12 N ATOM 1276 CA PRO A 86 5.374 -29.155 -15.715 1.00 71.24 C ATOM 1277 C PRO A 86 5.811 -28.587 -17.062 1.00 40.35 C ATOM 1278 O PRO A 86 6.018 -29.328 -18.022 1.00 12.43 O ATOM 1279 CB PRO A 86 6.313 -30.284 -15.282 1.00 45.12 C ATOM 1280 CG PRO A 86 5.642 -31.532 -15.743 1.00 24.31 C ATOM 1281 CD PRO A 86 4.165 -31.272 -15.638 1.00 65.12 C ATOM 0 HA PRO A 86 5.367 -28.303 -15.035 1.00 71.24 H new ATOM 0 HB2 PRO A 86 7.299 -30.174 -15.734 1.00 45.12 H new ATOM 0 HB3 PRO A 86 6.456 -30.287 -14.201 1.00 45.12 H new ATOM 0 HG2 PRO A 86 5.924 -31.771 -16.768 1.00 24.31 H new ATOM 0 HG3 PRO A 86 5.933 -32.382 -15.126 1.00 24.31 H new ATOM 0 HD2 PRO A 86 3.609 -31.794 -16.417 1.00 65.12 H new ATOM 0 HD3 PRO A 86 3.765 -31.607 -14.681 1.00 65.12 H new ATOM 1289 N MET A 87 5.949 -27.266 -17.124 1.00 43.33 N ATOM 1290 CA MET A 87 6.362 -26.599 -18.353 1.00 1.42 C ATOM 1291 C MET A 87 7.854 -26.283 -18.324 1.00 55.04 C ATOM 1292 O MET A 87 8.541 -26.389 -19.341 1.00 10.13 O ATOM 1293 CB MET A 87 5.561 -25.311 -18.554 1.00 20.04 C ATOM 1294 CG MET A 87 4.068 -25.545 -18.717 1.00 72.24 C ATOM 1295 SD MET A 87 3.652 -26.313 -20.294 1.00 22.31 S ATOM 1296 CE MET A 87 1.981 -25.711 -20.534 1.00 35.42 C ATOM 0 H MET A 87 5.781 -26.638 -16.338 1.00 43.33 H new ATOM 0 HA MET A 87 6.167 -27.274 -19.186 1.00 1.42 H new ATOM 0 HB2 MET A 87 5.727 -24.653 -17.701 1.00 20.04 H new ATOM 0 HB3 MET A 87 5.938 -24.792 -19.435 1.00 20.04 H new ATOM 0 HG2 MET A 87 3.713 -26.179 -17.904 1.00 72.24 H new ATOM 0 HG3 MET A 87 3.544 -24.593 -18.632 1.00 72.24 H new ATOM 0 HE1 MET A 87 1.585 -26.101 -21.472 1.00 35.42 H new ATOM 0 HE2 MET A 87 1.352 -26.044 -19.708 1.00 35.42 H new ATOM 0 HE3 MET A 87 1.988 -24.622 -20.569 1.00 35.42 H new ATOM 1306 N HIS A 88 8.350 -25.894 -17.154 1.00 0.52 N ATOM 1307 CA HIS A 88 9.762 -25.563 -16.993 1.00 51.21 C ATOM 1308 C HIS A 88 10.366 -26.317 -15.811 1.00 23.12 C ATOM 1309 O HIS A 88 9.664 -27.029 -15.094 1.00 50.35 O ATOM 1310 CB HIS A 88 9.935 -24.057 -16.795 1.00 24.12 C ATOM 1311 CG HIS A 88 8.979 -23.471 -15.801 1.00 62.11 C ATOM 1312 ND1 HIS A 88 9.265 -23.360 -14.457 1.00 74.54 N ATOM 1313 CD2 HIS A 88 7.737 -22.959 -15.963 1.00 20.22 C ATOM 1314 CE1 HIS A 88 8.238 -22.807 -13.835 1.00 21.10 C ATOM 1315 NE2 HIS A 88 7.299 -22.554 -14.727 1.00 3.14 N ATOM 0 H HIS A 88 7.795 -25.800 -16.303 1.00 0.52 H new ATOM 0 HA HIS A 88 10.286 -25.865 -17.900 1.00 51.21 H new ATOM 0 HB2 HIS A 88 10.955 -23.856 -16.468 1.00 24.12 H new ATOM 0 HB3 HIS A 88 9.803 -23.555 -17.754 1.00 24.12 H new ATOM 0 HD2 HIS A 88 7.192 -22.883 -16.892 1.00 20.22 H new ATOM 0 HE1 HIS A 88 8.178 -22.598 -12.777 1.00 21.10 H new ATOM 0 HE2 HIS A 88 6.394 -22.127 -14.530 1.00 3.14 H new ATOM 1323 N GLU A 89 11.670 -26.155 -15.617 1.00 53.32 N ATOM 1324 CA GLU A 89 12.367 -26.822 -14.524 1.00 13.34 C ATOM 1325 C GLU A 89 12.466 -25.910 -13.304 1.00 2.34 C ATOM 1326 O GLU A 89 11.755 -26.097 -12.315 1.00 33.31 O ATOM 1327 CB GLU A 89 13.768 -27.250 -14.967 1.00 13.54 C ATOM 1328 CG GLU A 89 13.795 -28.587 -15.689 1.00 22.51 C ATOM 1329 CD GLU A 89 15.151 -28.896 -16.294 1.00 44.10 C ATOM 1330 OE1 GLU A 89 15.793 -27.962 -16.818 1.00 63.34 O ATOM 1331 OE2 GLU A 89 15.568 -30.072 -16.244 1.00 31.10 O1- ATOM 0 H GLU A 89 12.265 -25.568 -16.202 1.00 53.32 H new ATOM 0 HA GLU A 89 11.793 -27.707 -14.250 1.00 13.34 H new ATOM 0 HB2 GLU A 89 14.183 -26.484 -15.622 1.00 13.54 H new ATOM 0 HB3 GLU A 89 14.416 -27.306 -14.092 1.00 13.54 H new ATOM 0 HG2 GLU A 89 13.524 -29.379 -14.990 1.00 22.51 H new ATOM 0 HG3 GLU A 89 13.042 -28.586 -16.477 1.00 22.51 H new ATOM 1338 N HIS A 90 13.351 -24.922 -13.380 1.00 12.33 N ATOM 1339 CA HIS A 90 13.543 -23.980 -12.284 1.00 64.04 C ATOM 1340 C HIS A 90 13.775 -22.568 -12.815 1.00 64.34 C ATOM 1341 O HIS A 90 14.193 -22.385 -13.958 1.00 61.10 O ATOM 1342 CB HIS A 90 14.724 -24.411 -11.414 1.00 14.33 C ATOM 1343 CG HIS A 90 15.942 -24.785 -12.201 1.00 22.52 C ATOM 1344 ND1 HIS A 90 16.541 -26.025 -12.117 1.00 21.34 N ATOM 1345 CD2 HIS A 90 16.673 -24.076 -13.093 1.00 24.13 C ATOM 1346 CE1 HIS A 90 17.589 -26.061 -12.921 1.00 42.11 C ATOM 1347 NE2 HIS A 90 17.691 -24.891 -13.525 1.00 64.31 N ATOM 0 H HIS A 90 13.947 -24.753 -14.190 1.00 12.33 H new ATOM 0 HA HIS A 90 12.637 -23.977 -11.678 1.00 64.04 H new ATOM 0 HB2 HIS A 90 14.977 -23.600 -10.732 1.00 14.33 H new ATOM 0 HB3 HIS A 90 14.422 -25.260 -10.801 1.00 14.33 H new ATOM 0 HD2 HIS A 90 16.490 -23.059 -13.407 1.00 24.13 H new ATOM 0 HE1 HIS A 90 18.250 -26.904 -13.060 1.00 42.11 H new ATOM 0 HE2 HIS A 90 18.409 -24.634 -14.202 1.00 64.31 H new ATOM 1355 N ALA A 91 13.501 -21.574 -11.977 1.00 30.43 N ATOM 1356 CA ALA A 91 13.682 -20.180 -12.360 1.00 4.31 C ATOM 1357 C ALA A 91 14.876 -19.562 -11.641 1.00 13.54 C ATOM 1358 O ALA A 91 14.892 -19.467 -10.414 1.00 55.12 O ATOM 1359 CB ALA A 91 12.418 -19.384 -12.070 1.00 53.12 C ATOM 0 H ALA A 91 13.153 -21.709 -11.028 1.00 30.43 H new ATOM 0 HA ALA A 91 13.881 -20.147 -13.431 1.00 4.31 H new ATOM 0 HB1 ALA A 91 12.568 -18.344 -12.361 1.00 53.12 H new ATOM 0 HB2 ALA A 91 11.586 -19.803 -12.636 1.00 53.12 H new ATOM 0 HB3 ALA A 91 12.193 -19.434 -11.005 1.00 53.12 H new ATOM 1365 N GLU A 92 15.875 -19.143 -12.413 1.00 71.53 N ATOM 1366 CA GLU A 92 17.074 -18.536 -11.847 1.00 22.11 C ATOM 1367 C GLU A 92 17.111 -17.038 -12.133 1.00 21.04 C ATOM 1368 O GLU A 92 16.759 -16.594 -13.226 1.00 35.42 O ATOM 1369 CB GLU A 92 18.328 -19.206 -12.412 1.00 20.12 C ATOM 1370 CG GLU A 92 18.186 -20.708 -12.593 1.00 3.34 C ATOM 1371 CD GLU A 92 17.955 -21.103 -14.039 1.00 5.13 C ATOM 1372 OE1 GLU A 92 17.175 -20.410 -14.725 1.00 51.43 O ATOM 1373 OE2 GLU A 92 18.555 -22.103 -14.484 1.00 1.44 O1- ATOM 0 H GLU A 92 15.877 -19.213 -13.431 1.00 71.53 H new ATOM 0 HA GLU A 92 17.049 -18.682 -10.767 1.00 22.11 H new ATOM 0 HB2 GLU A 92 18.569 -18.754 -13.374 1.00 20.12 H new ATOM 0 HB3 GLU A 92 19.168 -19.006 -11.746 1.00 20.12 H new ATOM 0 HG2 GLU A 92 19.086 -21.201 -12.225 1.00 3.34 H new ATOM 0 HG3 GLU A 92 17.355 -21.066 -11.985 1.00 3.34 H new ATOM 1380 N VAL A 93 17.541 -16.262 -11.141 1.00 13.33 N ATOM 1381 CA VAL A 93 17.625 -14.814 -11.286 1.00 70.50 C ATOM 1382 C VAL A 93 18.852 -14.261 -10.570 1.00 3.53 C ATOM 1383 O VAL A 93 19.266 -14.782 -9.533 1.00 12.13 O ATOM 1384 CB VAL A 93 16.366 -14.121 -10.734 1.00 51.30 C ATOM 1385 CG1 VAL A 93 16.448 -12.617 -10.946 1.00 23.41 C ATOM 1386 CG2 VAL A 93 15.114 -14.691 -11.384 1.00 45.53 C ATOM 0 H VAL A 93 17.836 -16.613 -10.230 1.00 13.33 H new ATOM 0 HA VAL A 93 17.706 -14.606 -12.353 1.00 70.50 H new ATOM 0 HB VAL A 93 16.309 -14.311 -9.662 1.00 51.30 H new ATOM 0 HG11 VAL A 93 15.549 -12.144 -10.550 1.00 23.41 H new ATOM 0 HG12 VAL A 93 17.323 -12.224 -10.429 1.00 23.41 H new ATOM 0 HG13 VAL A 93 16.530 -12.404 -12.012 1.00 23.41 H new ATOM 0 HG21 VAL A 93 14.234 -14.189 -10.981 1.00 45.53 H new ATOM 0 HG22 VAL A 93 15.160 -14.534 -12.462 1.00 45.53 H new ATOM 0 HG23 VAL A 93 15.050 -15.759 -11.175 1.00 45.53 H new ATOM 1396 N VAL A 94 19.430 -13.202 -11.129 1.00 2.22 N ATOM 1397 CA VAL A 94 20.609 -12.576 -10.542 1.00 2.02 C ATOM 1398 C VAL A 94 20.250 -11.264 -9.855 1.00 12.31 C ATOM 1399 O VAL A 94 19.523 -10.440 -10.408 1.00 50.11 O ATOM 1400 CB VAL A 94 21.689 -12.308 -11.607 1.00 14.01 C ATOM 1401 CG1 VAL A 94 22.896 -11.625 -10.982 1.00 20.21 C ATOM 1402 CG2 VAL A 94 22.095 -13.603 -12.293 1.00 30.43 C ATOM 0 H VAL A 94 19.101 -12.760 -11.987 1.00 2.22 H new ATOM 0 HA VAL A 94 21.003 -13.273 -9.802 1.00 2.02 H new ATOM 0 HB VAL A 94 21.273 -11.640 -12.361 1.00 14.01 H new ATOM 0 HG11 VAL A 94 23.649 -11.443 -11.749 1.00 20.21 H new ATOM 0 HG12 VAL A 94 22.590 -10.676 -10.542 1.00 20.21 H new ATOM 0 HG13 VAL A 94 23.315 -12.266 -10.206 1.00 20.21 H new ATOM 0 HG21 VAL A 94 22.859 -13.394 -13.042 1.00 30.43 H new ATOM 0 HG22 VAL A 94 22.493 -14.297 -11.553 1.00 30.43 H new ATOM 0 HG23 VAL A 94 21.225 -14.047 -12.776 1.00 30.43 H new ATOM 1412 N PHE A 95 20.766 -11.077 -8.644 1.00 1.21 N ATOM 1413 CA PHE A 95 20.501 -9.864 -7.880 1.00 71.43 C ATOM 1414 C PHE A 95 21.800 -9.241 -7.378 1.00 71.25 C ATOM 1415 O PHE A 95 22.523 -9.841 -6.582 1.00 40.21 O ATOM 1416 CB PHE A 95 19.580 -10.172 -6.697 1.00 71.11 C ATOM 1417 CG PHE A 95 18.373 -10.983 -7.073 1.00 42.22 C ATOM 1418 CD1 PHE A 95 18.448 -12.363 -7.160 1.00 51.32 C ATOM 1419 CD2 PHE A 95 17.162 -10.364 -7.338 1.00 41.22 C ATOM 1420 CE1 PHE A 95 17.338 -13.111 -7.507 1.00 43.10 C ATOM 1421 CE2 PHE A 95 16.048 -11.107 -7.685 1.00 42.40 C ATOM 1422 CZ PHE A 95 16.137 -12.482 -7.768 1.00 23.11 C ATOM 0 H PHE A 95 21.370 -11.750 -8.171 1.00 1.21 H new ATOM 0 HA PHE A 95 20.008 -9.150 -8.540 1.00 71.43 H new ATOM 0 HB2 PHE A 95 20.146 -10.709 -5.936 1.00 71.11 H new ATOM 0 HB3 PHE A 95 19.252 -9.234 -6.248 1.00 71.11 H new ATOM 0 HD1 PHE A 95 19.384 -12.861 -6.954 1.00 51.32 H new ATOM 0 HD2 PHE A 95 17.087 -9.289 -7.273 1.00 41.22 H new ATOM 0 HE1 PHE A 95 17.410 -14.186 -7.574 1.00 43.10 H new ATOM 0 HE2 PHE A 95 15.110 -10.612 -7.891 1.00 42.40 H new ATOM 0 HZ PHE A 95 15.268 -13.065 -8.037 1.00 23.11 H new ATOM 1432 N THR A 96 22.092 -8.033 -7.851 1.00 53.44 N ATOM 1433 CA THR A 96 23.304 -7.329 -7.452 1.00 53.12 C ATOM 1434 C THR A 96 23.114 -6.620 -6.116 1.00 30.54 C ATOM 1435 O THR A 96 22.017 -6.167 -5.793 1.00 64.13 O ATOM 1436 CB THR A 96 23.727 -6.295 -8.514 1.00 32.55 C ATOM 1437 OG1 THR A 96 23.453 -6.799 -9.825 1.00 35.50 O ATOM 1438 CG2 THR A 96 25.207 -5.967 -8.390 1.00 22.52 C ATOM 0 H THR A 96 21.505 -7.522 -8.511 1.00 53.44 H new ATOM 0 HA THR A 96 24.088 -8.080 -7.353 1.00 53.12 H new ATOM 0 HB THR A 96 23.154 -5.383 -8.349 1.00 32.55 H new ATOM 0 HG1 THR A 96 23.723 -6.135 -10.494 1.00 35.50 H new ATOM 0 HG21 THR A 96 25.482 -5.235 -9.150 1.00 22.52 H new ATOM 0 HG22 THR A 96 25.407 -5.556 -7.401 1.00 22.52 H new ATOM 0 HG23 THR A 96 25.794 -6.875 -8.531 1.00 22.52 H new ATOM 1446 N ALA A 97 24.191 -6.528 -5.343 1.00 62.01 N ATOM 1447 CA ALA A 97 24.144 -5.872 -4.042 1.00 43.35 C ATOM 1448 C ALA A 97 24.201 -4.355 -4.190 1.00 12.42 C ATOM 1449 O ALA A 97 24.762 -3.837 -5.155 1.00 52.21 O ATOM 1450 CB ALA A 97 25.284 -6.362 -3.162 1.00 10.43 C ATOM 0 H ALA A 97 25.107 -6.900 -5.595 1.00 62.01 H new ATOM 0 HA ALA A 97 23.197 -6.129 -3.567 1.00 43.35 H new ATOM 0 HB1 ALA A 97 25.236 -5.864 -2.194 1.00 10.43 H new ATOM 0 HB2 ALA A 97 25.197 -7.439 -3.020 1.00 10.43 H new ATOM 0 HB3 ALA A 97 26.237 -6.135 -3.641 1.00 10.43 H new ATOM 1456 N ASN A 98 23.616 -3.649 -3.228 1.00 22.42 N ATOM 1457 CA ASN A 98 23.600 -2.191 -3.252 1.00 70.24 C ATOM 1458 C ASN A 98 24.877 -1.623 -2.641 1.00 0.21 C ATOM 1459 O ASN A 98 25.832 -2.355 -2.378 1.00 44.32 O ATOM 1460 CB ASN A 98 22.381 -1.661 -2.496 1.00 53.32 C ATOM 1461 CG ASN A 98 21.091 -2.321 -2.945 1.00 65.42 C ATOM 1462 OD1 ASN A 98 20.908 -3.528 -2.782 1.00 61.01 O ATOM 1463 ND2 ASN A 98 20.188 -1.530 -3.514 1.00 50.32 N ATOM 0 H ASN A 98 23.147 -4.063 -2.422 1.00 22.42 H new ATOM 0 HA ASN A 98 23.542 -1.870 -4.292 1.00 70.24 H new ATOM 0 HB2 ASN A 98 22.519 -1.828 -1.428 1.00 53.32 H new ATOM 0 HB3 ASN A 98 22.305 -0.584 -2.643 1.00 53.32 H new ATOM 0 HD21 ASN A 98 19.301 -1.918 -3.836 1.00 50.32 H new ATOM 0 HD22 ASN A 98 20.382 -0.535 -3.629 1.00 50.32 H new ATOM 1470 N ASP A 99 24.887 -0.314 -2.417 1.00 15.12 N ATOM 1471 CA ASP A 99 26.047 0.354 -1.834 1.00 4.24 C ATOM 1472 C ASP A 99 25.941 0.397 -0.314 1.00 73.21 C ATOM 1473 O ASP A 99 25.020 -0.172 0.271 1.00 53.11 O ATOM 1474 CB ASP A 99 26.176 1.773 -2.389 1.00 62.12 C ATOM 1475 CG ASP A 99 27.621 2.201 -2.553 1.00 13.14 C ATOM 1476 OD1 ASP A 99 28.281 1.716 -3.497 1.00 55.13 O ATOM 1477 OD2 ASP A 99 28.092 3.021 -1.739 1.00 52.50 O1- ATOM 0 H ASP A 99 24.106 0.306 -2.630 1.00 15.12 H new ATOM 0 HA ASP A 99 26.937 -0.215 -2.102 1.00 4.24 H new ATOM 0 HB2 ASP A 99 25.671 1.830 -3.354 1.00 62.12 H new ATOM 0 HB3 ASP A 99 25.667 2.469 -1.722 1.00 62.12 H new ATOM 1482 N SER A 100 26.893 1.073 0.321 1.00 64.11 N ATOM 1483 CA SER A 100 26.911 1.186 1.775 1.00 51.44 C ATOM 1484 C SER A 100 25.580 1.717 2.295 1.00 2.13 C ATOM 1485 O SER A 100 24.941 2.555 1.658 1.00 24.13 O ATOM 1486 CB SER A 100 28.050 2.104 2.222 1.00 72.33 C ATOM 1487 OG SER A 100 29.280 1.402 2.280 1.00 61.25 O ATOM 0 H SER A 100 27.662 1.551 -0.149 1.00 64.11 H new ATOM 0 HA SER A 100 27.072 0.191 2.190 1.00 51.44 H new ATOM 0 HB2 SER A 100 28.138 2.942 1.530 1.00 72.33 H new ATOM 0 HB3 SER A 100 27.820 2.523 3.202 1.00 72.33 H new ATOM 0 HG SER A 100 29.992 2.012 2.567 1.00 61.25 H new ATOM 1493 N GLY A 101 25.166 1.224 3.459 1.00 42.21 N ATOM 1494 CA GLY A 101 23.912 1.660 4.046 1.00 53.22 C ATOM 1495 C GLY A 101 22.867 0.562 4.061 1.00 10.13 C ATOM 1496 O GLY A 101 23.162 -0.609 3.825 1.00 41.01 O ATOM 0 H GLY A 101 25.677 0.531 4.006 1.00 42.21 H new ATOM 0 HA2 GLY A 101 24.091 2.001 5.066 1.00 53.22 H new ATOM 0 HA3 GLY A 101 23.530 2.514 3.486 1.00 53.22 H new ATOM 1500 N PRO A 102 21.612 0.939 4.348 1.00 72.31 N ATOM 1501 CA PRO A 102 20.494 -0.008 4.402 1.00 62.41 C ATOM 1502 C PRO A 102 20.122 -0.546 3.024 1.00 55.41 C ATOM 1503 O PRO A 102 19.955 0.218 2.074 1.00 30.03 O ATOM 1504 CB PRO A 102 19.348 0.830 4.976 1.00 3.05 C ATOM 1505 CG PRO A 102 19.686 2.234 4.614 1.00 21.03 C ATOM 1506 CD PRO A 102 21.187 2.318 4.640 1.00 22.35 C ATOM 0 HA PRO A 102 20.735 -0.890 4.995 1.00 62.41 H new ATOM 0 HB2 PRO A 102 18.389 0.532 4.552 1.00 3.05 H new ATOM 0 HB3 PRO A 102 19.271 0.708 6.056 1.00 3.05 H new ATOM 0 HG2 PRO A 102 19.298 2.487 3.627 1.00 21.03 H new ATOM 0 HG3 PRO A 102 19.243 2.937 5.320 1.00 21.03 H new ATOM 0 HD2 PRO A 102 21.563 3.020 3.896 1.00 22.35 H new ATOM 0 HD3 PRO A 102 21.554 2.654 5.610 1.00 22.35 H new ATOM 1514 N ARG A 103 19.993 -1.865 2.924 1.00 52.42 N ATOM 1515 CA ARG A 103 19.643 -2.504 1.662 1.00 64.24 C ATOM 1516 C ARG A 103 18.619 -3.615 1.882 1.00 1.20 C ATOM 1517 O ARG A 103 18.636 -4.634 1.191 1.00 43.01 O ATOM 1518 CB ARG A 103 20.893 -3.074 0.989 1.00 21.14 C ATOM 1519 CG ARG A 103 21.882 -3.690 1.964 1.00 71.15 C ATOM 1520 CD ARG A 103 21.291 -4.902 2.668 1.00 40.02 C ATOM 1521 NE ARG A 103 22.305 -5.664 3.391 1.00 23.44 N ATOM 1522 CZ ARG A 103 22.020 -6.550 4.339 1.00 72.30 C ATOM 1523 NH1 ARG A 103 20.760 -6.785 4.675 1.00 12.31 N1+ ATOM 1524 NH2 ARG A 103 22.999 -7.205 4.951 1.00 23.55 N ATOM 0 H ARG A 103 20.126 -2.511 3.702 1.00 52.42 H new ATOM 0 HA ARG A 103 19.202 -1.749 1.011 1.00 64.24 H new ATOM 0 HB2 ARG A 103 20.592 -3.830 0.264 1.00 21.14 H new ATOM 0 HB3 ARG A 103 21.391 -2.279 0.433 1.00 21.14 H new ATOM 0 HG2 ARG A 103 22.786 -3.983 1.430 1.00 71.15 H new ATOM 0 HG3 ARG A 103 22.176 -2.946 2.704 1.00 71.15 H new ATOM 0 HD2 ARG A 103 20.518 -4.576 3.364 1.00 40.02 H new ATOM 0 HD3 ARG A 103 20.807 -5.547 1.934 1.00 40.02 H new ATOM 0 HE ARG A 103 23.285 -5.508 3.156 1.00 23.44 H new ATOM 0 HH11 ARG A 103 20.005 -6.285 4.205 1.00 12.31 H new ATOM 0 HH12 ARG A 103 20.545 -7.466 5.403 1.00 12.31 H new ATOM 0 HH21 ARG A 103 23.970 -7.028 4.693 1.00 23.55 H new ATOM 0 HH22 ARG A 103 22.780 -7.885 5.679 1.00 23.55 H new ATOM 1538 N ARG A 104 17.730 -3.410 2.848 1.00 42.23 N ATOM 1539 CA ARG A 104 16.701 -4.395 3.160 1.00 3.34 C ATOM 1540 C ARG A 104 15.603 -4.388 2.100 1.00 11.24 C ATOM 1541 O ARG A 104 14.786 -3.468 2.043 1.00 3.33 O ATOM 1542 CB ARG A 104 16.096 -4.114 4.537 1.00 1.21 C ATOM 1543 CG ARG A 104 17.135 -3.915 5.628 1.00 52.32 C ATOM 1544 CD ARG A 104 17.831 -5.221 5.981 1.00 23.35 C ATOM 1545 NE ARG A 104 17.021 -6.049 6.871 1.00 23.43 N ATOM 1546 CZ ARG A 104 17.497 -7.094 7.537 1.00 61.22 C ATOM 1547 NH1 ARG A 104 18.772 -7.437 7.416 1.00 21.23 N1+ ATOM 1548 NH2 ARG A 104 16.699 -7.799 8.327 1.00 61.40 N ATOM 0 H ARG A 104 17.701 -2.571 3.428 1.00 42.23 H new ATOM 0 HA ARG A 104 17.168 -5.380 3.170 1.00 3.34 H new ATOM 0 HB2 ARG A 104 15.471 -3.223 4.475 1.00 1.21 H new ATOM 0 HB3 ARG A 104 15.444 -4.942 4.814 1.00 1.21 H new ATOM 0 HG2 ARG A 104 17.874 -3.185 5.299 1.00 52.32 H new ATOM 0 HG3 ARG A 104 16.656 -3.505 6.517 1.00 52.32 H new ATOM 0 HD2 ARG A 104 18.048 -5.775 5.068 1.00 23.35 H new ATOM 0 HD3 ARG A 104 18.787 -5.005 6.457 1.00 23.35 H new ATOM 0 HE ARG A 104 16.036 -5.811 6.987 1.00 23.43 H new ATOM 0 HH11 ARG A 104 19.390 -6.897 6.810 1.00 21.23 H new ATOM 0 HH12 ARG A 104 19.135 -8.240 7.929 1.00 21.23 H new ATOM 0 HH21 ARG A 104 15.718 -7.539 8.424 1.00 61.40 H new ATOM 0 HH22 ARG A 104 17.067 -8.602 8.838 1.00 61.40 H new ATOM 1562 N TYR A 105 15.590 -5.418 1.263 1.00 64.52 N ATOM 1563 CA TYR A 105 14.595 -5.530 0.203 1.00 43.23 C ATOM 1564 C TYR A 105 14.108 -6.968 0.061 1.00 12.34 C ATOM 1565 O TYR A 105 14.769 -7.907 0.507 1.00 73.32 O ATOM 1566 CB TYR A 105 15.177 -5.043 -1.125 1.00 4.01 C ATOM 1567 CG TYR A 105 15.509 -3.568 -1.137 1.00 12.10 C ATOM 1568 CD1 TYR A 105 14.505 -2.609 -1.110 1.00 71.31 C ATOM 1569 CD2 TYR A 105 16.829 -3.134 -1.173 1.00 32.04 C ATOM 1570 CE1 TYR A 105 14.804 -1.260 -1.121 1.00 24.24 C ATOM 1571 CE2 TYR A 105 17.138 -1.787 -1.183 1.00 72.42 C ATOM 1572 CZ TYR A 105 16.123 -0.855 -1.158 1.00 22.41 C ATOM 1573 OH TYR A 105 16.425 0.487 -1.167 1.00 41.31 O ATOM 0 H TYR A 105 16.258 -6.188 1.298 1.00 64.52 H new ATOM 0 HA TYR A 105 13.744 -4.903 0.471 1.00 43.23 H new ATOM 0 HB2 TYR A 105 16.080 -5.612 -1.346 1.00 4.01 H new ATOM 0 HB3 TYR A 105 14.465 -5.253 -1.923 1.00 4.01 H new ATOM 0 HD1 TYR A 105 13.472 -2.923 -1.080 1.00 71.31 H new ATOM 0 HD2 TYR A 105 17.627 -3.862 -1.194 1.00 32.04 H new ATOM 0 HE1 TYR A 105 14.011 -0.527 -1.101 1.00 24.24 H new ATOM 0 HE2 TYR A 105 18.169 -1.467 -1.210 1.00 72.42 H new ATOM 0 HH TYR A 105 17.398 0.603 -1.193 1.00 41.31 H new ATOM 1583 N THR A 106 12.947 -7.135 -0.564 1.00 61.33 N ATOM 1584 CA THR A 106 12.369 -8.458 -0.765 1.00 12.11 C ATOM 1585 C THR A 106 12.099 -8.721 -2.241 1.00 32.31 C ATOM 1586 O THR A 106 11.721 -7.814 -2.984 1.00 11.53 O ATOM 1587 CB THR A 106 11.056 -8.623 0.024 1.00 42.34 C ATOM 1588 OG1 THR A 106 11.306 -8.481 1.426 1.00 34.34 O ATOM 1589 CG2 THR A 106 10.429 -9.982 -0.249 1.00 20.22 C ATOM 0 H THR A 106 12.388 -6.369 -0.940 1.00 61.33 H new ATOM 0 HA THR A 106 13.098 -9.181 -0.398 1.00 12.11 H new ATOM 0 HB THR A 106 10.362 -7.848 -0.301 1.00 42.34 H new ATOM 0 HG1 THR A 106 10.904 -9.234 1.908 1.00 34.34 H new ATOM 0 HG21 THR A 106 9.503 -10.076 0.319 1.00 20.22 H new ATOM 0 HG22 THR A 106 10.213 -10.076 -1.313 1.00 20.22 H new ATOM 0 HG23 THR A 106 11.121 -10.769 0.052 1.00 20.22 H new ATOM 1597 N ILE A 107 12.292 -9.966 -2.661 1.00 71.42 N ATOM 1598 CA ILE A 107 12.066 -10.349 -4.050 1.00 74.04 C ATOM 1599 C ILE A 107 10.779 -11.153 -4.197 1.00 33.14 C ATOM 1600 O ILE A 107 10.705 -12.307 -3.776 1.00 43.14 O ATOM 1601 CB ILE A 107 13.241 -11.175 -4.604 1.00 63.22 C ATOM 1602 CG1 ILE A 107 14.561 -10.430 -4.394 1.00 62.44 C ATOM 1603 CG2 ILE A 107 13.026 -11.478 -6.079 1.00 32.41 C ATOM 1604 CD1 ILE A 107 14.601 -9.071 -5.058 1.00 2.32 C ATOM 0 H ILE A 107 12.605 -10.728 -2.059 1.00 71.42 H new ATOM 0 HA ILE A 107 11.981 -9.425 -4.622 1.00 74.04 H new ATOM 0 HB ILE A 107 13.289 -12.120 -4.062 1.00 63.22 H new ATOM 0 HG12 ILE A 107 14.734 -10.308 -3.325 1.00 62.44 H new ATOM 0 HG13 ILE A 107 15.378 -11.039 -4.781 1.00 62.44 H new ATOM 0 HG21 ILE A 107 13.865 -12.063 -6.456 1.00 32.41 H new ATOM 0 HG22 ILE A 107 12.104 -12.045 -6.203 1.00 32.41 H new ATOM 0 HG23 ILE A 107 12.955 -10.544 -6.636 1.00 32.41 H new ATOM 0 HD11 ILE A 107 15.566 -8.601 -4.867 1.00 2.32 H new ATOM 0 HD12 ILE A 107 14.460 -9.187 -6.133 1.00 2.32 H new ATOM 0 HD13 ILE A 107 13.806 -8.445 -4.653 1.00 2.32 H new ATOM 1616 N ALA A 108 9.768 -10.535 -4.798 1.00 44.40 N ATOM 1617 CA ALA A 108 8.484 -11.195 -5.004 1.00 61.41 C ATOM 1618 C ALA A 108 8.406 -11.822 -6.392 1.00 62.14 C ATOM 1619 O ALA A 108 8.403 -11.118 -7.402 1.00 70.45 O ATOM 1620 CB ALA A 108 7.344 -10.207 -4.804 1.00 74.04 C ATOM 0 H ALA A 108 9.813 -9.579 -5.151 1.00 44.40 H new ATOM 0 HA ALA A 108 8.391 -11.993 -4.267 1.00 61.41 H new ATOM 0 HB1 ALA A 108 6.392 -10.714 -4.961 1.00 74.04 H new ATOM 0 HB2 ALA A 108 7.381 -9.810 -3.790 1.00 74.04 H new ATOM 0 HB3 ALA A 108 7.442 -9.389 -5.518 1.00 74.04 H new ATOM 1626 N ALA A 109 8.343 -13.148 -6.436 1.00 63.14 N ATOM 1627 CA ALA A 109 8.264 -13.869 -7.699 1.00 74.21 C ATOM 1628 C ALA A 109 6.976 -14.681 -7.789 1.00 35.54 C ATOM 1629 O ALA A 109 6.572 -15.328 -6.823 1.00 62.10 O ATOM 1630 CB ALA A 109 9.474 -14.775 -7.868 1.00 25.13 C ATOM 0 H ALA A 109 8.345 -13.746 -5.609 1.00 63.14 H new ATOM 0 HA ALA A 109 8.258 -13.136 -8.506 1.00 74.21 H new ATOM 0 HB1 ALA A 109 9.400 -15.307 -8.816 1.00 25.13 H new ATOM 0 HB2 ALA A 109 10.383 -14.174 -7.859 1.00 25.13 H new ATOM 0 HB3 ALA A 109 9.507 -15.495 -7.050 1.00 25.13 H new ATOM 1636 N MET A 110 6.336 -14.643 -8.953 1.00 70.32 N ATOM 1637 CA MET A 110 5.095 -15.378 -9.166 1.00 45.12 C ATOM 1638 C MET A 110 5.310 -16.543 -10.127 1.00 15.33 C ATOM 1639 O MET A 110 6.022 -16.414 -11.124 1.00 41.41 O ATOM 1640 CB MET A 110 4.013 -14.444 -9.713 1.00 74.03 C ATOM 1641 CG MET A 110 3.368 -13.571 -8.648 1.00 13.10 C ATOM 1642 SD MET A 110 1.629 -13.235 -8.984 1.00 31.04 S ATOM 1643 CE MET A 110 0.842 -14.211 -7.705 1.00 0.14 C ATOM 0 H MET A 110 6.656 -14.111 -9.763 1.00 70.32 H new ATOM 0 HA MET A 110 4.770 -15.778 -8.206 1.00 45.12 H new ATOM 0 HB2 MET A 110 4.450 -13.804 -10.480 1.00 74.03 H new ATOM 0 HB3 MET A 110 3.241 -15.041 -10.198 1.00 74.03 H new ATOM 0 HG2 MET A 110 3.459 -14.061 -7.679 1.00 13.10 H new ATOM 0 HG3 MET A 110 3.910 -12.628 -8.580 1.00 13.10 H new ATOM 0 HE1 MET A 110 -0.210 -14.355 -7.953 1.00 0.14 H new ATOM 0 HE2 MET A 110 1.334 -15.181 -7.633 1.00 0.14 H new ATOM 0 HE3 MET A 110 0.922 -13.692 -6.750 1.00 0.14 H new ATOM 1653 N LEU A 111 4.692 -17.678 -9.822 1.00 31.10 N ATOM 1654 CA LEU A 111 4.817 -18.866 -10.658 1.00 3.04 C ATOM 1655 C LEU A 111 3.610 -19.012 -11.581 1.00 63.32 C ATOM 1656 O LEU A 111 2.493 -19.255 -11.126 1.00 10.01 O ATOM 1657 CB LEU A 111 4.958 -20.115 -9.786 1.00 34.42 C ATOM 1658 CG LEU A 111 6.389 -20.576 -9.503 1.00 22.01 C ATOM 1659 CD1 LEU A 111 7.278 -19.387 -9.177 1.00 40.44 C ATOM 1660 CD2 LEU A 111 6.407 -21.587 -8.366 1.00 11.55 C ATOM 0 H LEU A 111 4.099 -17.801 -9.001 1.00 31.10 H new ATOM 0 HA LEU A 111 5.711 -18.755 -11.272 1.00 3.04 H new ATOM 0 HB2 LEU A 111 4.463 -19.927 -8.833 1.00 34.42 H new ATOM 0 HB3 LEU A 111 4.422 -20.933 -10.268 1.00 34.42 H new ATOM 0 HG LEU A 111 6.780 -21.059 -10.399 1.00 22.01 H new ATOM 0 HD11 LEU A 111 8.292 -19.734 -8.979 1.00 40.44 H new ATOM 0 HD12 LEU A 111 7.289 -18.699 -10.022 1.00 40.44 H new ATOM 0 HD13 LEU A 111 6.891 -18.874 -8.296 1.00 40.44 H new ATOM 0 HD21 LEU A 111 7.433 -21.905 -8.178 1.00 11.55 H new ATOM 0 HD22 LEU A 111 5.998 -21.129 -7.465 1.00 11.55 H new ATOM 0 HD23 LEU A 111 5.804 -22.453 -8.639 1.00 11.55 H new ATOM 1672 N SER A 112 3.845 -18.862 -12.881 1.00 73.51 N ATOM 1673 CA SER A 112 2.778 -18.975 -13.868 1.00 51.32 C ATOM 1674 C SER A 112 3.275 -19.678 -15.127 1.00 24.21 C ATOM 1675 O SER A 112 3.834 -19.062 -16.035 1.00 14.52 O ATOM 1676 CB SER A 112 2.236 -17.589 -14.226 1.00 2.41 C ATOM 1677 OG SER A 112 3.151 -16.573 -13.853 1.00 5.42 O ATOM 0 H SER A 112 4.764 -18.662 -13.275 1.00 73.51 H new ATOM 0 HA SER A 112 1.976 -19.570 -13.432 1.00 51.32 H new ATOM 0 HB2 SER A 112 2.045 -17.535 -15.298 1.00 2.41 H new ATOM 0 HB3 SER A 112 1.282 -17.427 -13.724 1.00 2.41 H new ATOM 0 HG SER A 112 2.783 -15.697 -14.093 1.00 5.42 H new ATOM 1683 N PRO A 113 3.069 -21.003 -15.185 1.00 54.43 N ATOM 1684 CA PRO A 113 3.487 -21.821 -16.327 1.00 23.13 C ATOM 1685 C PRO A 113 2.660 -21.539 -17.576 1.00 42.52 C ATOM 1686 O PRO A 113 3.190 -21.493 -18.686 1.00 32.13 O ATOM 1687 CB PRO A 113 3.253 -23.254 -15.842 1.00 11.42 C ATOM 1688 CG PRO A 113 2.190 -23.133 -14.805 1.00 14.31 C ATOM 1689 CD PRO A 113 2.411 -21.803 -14.139 1.00 11.21 C ATOM 0 HA PRO A 113 4.518 -21.618 -16.618 1.00 23.13 H new ATOM 0 HB2 PRO A 113 2.937 -23.902 -16.659 1.00 11.42 H new ATOM 0 HB3 PRO A 113 4.164 -23.685 -15.427 1.00 11.42 H new ATOM 0 HG2 PRO A 113 1.198 -23.184 -15.255 1.00 14.31 H new ATOM 0 HG3 PRO A 113 2.255 -23.947 -14.083 1.00 14.31 H new ATOM 0 HD2 PRO A 113 1.471 -21.352 -13.820 1.00 11.21 H new ATOM 0 HD3 PRO A 113 3.037 -21.897 -13.252 1.00 11.21 H new ATOM 1697 N TYR A 114 1.358 -21.352 -17.387 1.00 23.21 N ATOM 1698 CA TYR A 114 0.457 -21.076 -18.500 1.00 4.41 C ATOM 1699 C TYR A 114 0.499 -19.599 -18.883 1.00 5.12 C ATOM 1700 O TYR A 114 0.960 -19.241 -19.967 1.00 62.34 O ATOM 1701 CB TYR A 114 -0.974 -21.478 -18.137 1.00 10.22 C ATOM 1702 CG TYR A 114 -1.066 -22.813 -17.431 1.00 42.23 C ATOM 1703 CD1 TYR A 114 -0.958 -24.004 -18.139 1.00 54.30 C ATOM 1704 CD2 TYR A 114 -1.261 -22.882 -16.058 1.00 64.23 C ATOM 1705 CE1 TYR A 114 -1.043 -25.225 -17.498 1.00 2.11 C ATOM 1706 CE2 TYR A 114 -1.345 -24.098 -15.408 1.00 70.43 C ATOM 1707 CZ TYR A 114 -1.236 -25.267 -16.133 1.00 23.21 C ATOM 1708 OH TYR A 114 -1.321 -26.481 -15.490 1.00 44.10 O ATOM 0 H TYR A 114 0.904 -21.386 -16.475 1.00 23.21 H new ATOM 0 HA TYR A 114 0.788 -21.665 -19.356 1.00 4.41 H new ATOM 0 HB2 TYR A 114 -1.408 -20.708 -17.499 1.00 10.22 H new ATOM 0 HB3 TYR A 114 -1.574 -21.515 -19.046 1.00 10.22 H new ATOM 0 HD1 TYR A 114 -0.805 -23.975 -19.208 1.00 54.30 H new ATOM 0 HD2 TYR A 114 -1.349 -21.969 -15.488 1.00 64.23 H new ATOM 0 HE1 TYR A 114 -0.959 -26.142 -18.063 1.00 2.11 H new ATOM 0 HE2 TYR A 114 -1.495 -24.134 -14.339 1.00 70.43 H new ATOM 0 HH TYR A 114 -1.456 -26.334 -14.531 1.00 44.10 H new ATOM 1718 N SER A 115 0.016 -18.748 -17.985 1.00 54.30 N ATOM 1719 CA SER A 115 -0.005 -17.310 -18.228 1.00 50.32 C ATOM 1720 C SER A 115 1.408 -16.734 -18.197 1.00 24.11 C ATOM 1721 O SER A 115 2.343 -17.378 -17.723 1.00 43.12 O ATOM 1722 CB SER A 115 -0.878 -16.607 -17.186 1.00 73.32 C ATOM 1723 OG SER A 115 -2.253 -16.740 -17.501 1.00 23.24 O ATOM 0 H SER A 115 -0.366 -19.029 -17.082 1.00 54.30 H new ATOM 0 HA SER A 115 -0.427 -17.140 -19.218 1.00 50.32 H new ATOM 0 HB2 SER A 115 -0.685 -17.030 -16.200 1.00 73.32 H new ATOM 0 HB3 SER A 115 -0.613 -15.551 -17.138 1.00 73.32 H new ATOM 0 HG SER A 115 -2.790 -16.284 -16.820 1.00 23.24 H new ATOM 1729 N TYR A 116 1.554 -15.515 -18.706 1.00 51.11 N ATOM 1730 CA TYR A 116 2.851 -14.851 -18.739 1.00 44.22 C ATOM 1731 C TYR A 116 3.487 -14.828 -17.353 1.00 31.31 C ATOM 1732 O TYR A 116 2.868 -14.396 -16.380 1.00 23.43 O ATOM 1733 CB TYR A 116 2.704 -13.423 -19.269 1.00 65.40 C ATOM 1734 CG TYR A 116 1.832 -12.543 -18.402 1.00 71.35 C ATOM 1735 CD1 TYR A 116 0.448 -12.560 -18.530 1.00 11.14 C ATOM 1736 CD2 TYR A 116 2.391 -11.695 -17.455 1.00 61.42 C ATOM 1737 CE1 TYR A 116 -0.352 -11.757 -17.741 1.00 2.33 C ATOM 1738 CE2 TYR A 116 1.599 -10.890 -16.660 1.00 43.15 C ATOM 1739 CZ TYR A 116 0.227 -10.924 -16.807 1.00 73.22 C ATOM 1740 OH TYR A 116 -0.566 -10.123 -16.018 1.00 0.32 O ATOM 0 H TYR A 116 0.790 -14.967 -19.101 1.00 51.11 H new ATOM 0 HA TYR A 116 3.502 -15.414 -19.408 1.00 44.22 H new ATOM 0 HB2 TYR A 116 3.693 -12.972 -19.352 1.00 65.40 H new ATOM 0 HB3 TYR A 116 2.284 -13.459 -20.274 1.00 65.40 H new ATOM 0 HD1 TYR A 116 -0.010 -13.212 -19.259 1.00 11.14 H new ATOM 0 HD2 TYR A 116 3.464 -11.664 -17.338 1.00 61.42 H new ATOM 0 HE1 TYR A 116 -1.426 -11.781 -17.855 1.00 2.33 H new ATOM 0 HE2 TYR A 116 2.051 -10.238 -15.927 1.00 43.15 H new ATOM 0 HH TYR A 116 -0.001 -9.599 -15.412 1.00 0.32 H new ATOM 1750 N SER A 117 4.729 -15.295 -17.270 1.00 62.40 N ATOM 1751 CA SER A 117 5.449 -15.332 -16.003 1.00 41.11 C ATOM 1752 C SER A 117 5.633 -13.925 -15.442 1.00 1.43 C ATOM 1753 O SER A 117 5.615 -12.940 -16.182 1.00 74.14 O ATOM 1754 CB SER A 117 6.812 -16.002 -16.186 1.00 43.31 C ATOM 1755 OG SER A 117 7.763 -15.482 -15.274 1.00 60.44 O ATOM 0 H SER A 117 5.257 -15.653 -18.066 1.00 62.40 H new ATOM 0 HA SER A 117 4.859 -15.913 -15.295 1.00 41.11 H new ATOM 0 HB2 SER A 117 6.714 -17.078 -16.040 1.00 43.31 H new ATOM 0 HB3 SER A 117 7.162 -15.849 -17.207 1.00 43.31 H new ATOM 0 HG SER A 117 8.625 -15.928 -15.410 1.00 60.44 H new ATOM 1761 N THR A 118 5.811 -13.837 -14.127 1.00 44.23 N ATOM 1762 CA THR A 118 5.996 -12.553 -13.465 1.00 62.12 C ATOM 1763 C THR A 118 7.048 -12.648 -12.365 1.00 51.22 C ATOM 1764 O THR A 118 7.023 -13.569 -11.549 1.00 52.03 O ATOM 1765 CB THR A 118 4.678 -12.038 -12.856 1.00 41.11 C ATOM 1766 OG1 THR A 118 3.563 -12.634 -13.529 1.00 53.34 O ATOM 1767 CG2 THR A 118 4.590 -10.523 -12.960 1.00 30.23 C ATOM 0 H THR A 118 5.831 -14.641 -13.500 1.00 44.23 H new ATOM 0 HA THR A 118 6.333 -11.851 -14.228 1.00 62.12 H new ATOM 0 HB THR A 118 4.656 -12.315 -11.802 1.00 41.11 H new ATOM 0 HG1 THR A 118 2.729 -12.303 -13.136 1.00 53.34 H new ATOM 0 HG21 THR A 118 3.651 -10.182 -12.524 1.00 30.23 H new ATOM 0 HG22 THR A 118 5.424 -10.072 -12.423 1.00 30.23 H new ATOM 0 HG23 THR A 118 4.631 -10.227 -14.008 1.00 30.23 H new ATOM 1775 N MET A 119 7.969 -11.691 -12.349 1.00 51.10 N ATOM 1776 CA MET A 119 9.029 -11.666 -11.347 1.00 43.42 C ATOM 1777 C MET A 119 9.391 -10.233 -10.973 1.00 2.14 C ATOM 1778 O MET A 119 9.643 -9.399 -11.843 1.00 61.44 O ATOM 1779 CB MET A 119 10.267 -12.399 -11.866 1.00 20.41 C ATOM 1780 CG MET A 119 10.856 -13.381 -10.866 1.00 61.24 C ATOM 1781 SD MET A 119 11.692 -12.559 -9.495 1.00 43.35 S ATOM 1782 CE MET A 119 13.018 -13.717 -9.165 1.00 1.53 C ATOM 0 H MET A 119 8.003 -10.922 -13.018 1.00 51.10 H new ATOM 0 HA MET A 119 8.663 -12.173 -10.454 1.00 43.42 H new ATOM 0 HB2 MET A 119 10.006 -12.935 -12.778 1.00 20.41 H new ATOM 0 HB3 MET A 119 11.028 -11.666 -12.134 1.00 20.41 H new ATOM 0 HG2 MET A 119 10.061 -14.015 -10.474 1.00 61.24 H new ATOM 0 HG3 MET A 119 11.562 -14.035 -11.378 1.00 61.24 H new ATOM 0 HE1 MET A 119 13.055 -13.933 -8.097 1.00 1.53 H new ATOM 0 HE2 MET A 119 12.840 -14.641 -9.716 1.00 1.53 H new ATOM 0 HE3 MET A 119 13.967 -13.283 -9.481 1.00 1.53 H new ATOM 1792 N ALA A 120 9.413 -9.952 -9.674 1.00 51.45 N ATOM 1793 CA ALA A 120 9.746 -8.620 -9.186 1.00 71.34 C ATOM 1794 C ALA A 120 11.144 -8.592 -8.577 1.00 72.32 C ATOM 1795 O ALA A 120 11.433 -9.321 -7.628 1.00 32.22 O ATOM 1796 CB ALA A 120 8.715 -8.159 -8.167 1.00 12.35 C ATOM 0 H ALA A 120 9.204 -10.630 -8.941 1.00 51.45 H new ATOM 0 HA ALA A 120 9.734 -7.935 -10.034 1.00 71.34 H new ATOM 0 HB1 ALA A 120 8.976 -7.162 -7.811 1.00 12.35 H new ATOM 0 HB2 ALA A 120 7.730 -8.131 -8.633 1.00 12.35 H new ATOM 0 HB3 ALA A 120 8.699 -8.852 -7.326 1.00 12.35 H new ATOM 1802 N VAL A 121 12.008 -7.746 -9.128 1.00 53.02 N ATOM 1803 CA VAL A 121 13.376 -7.623 -8.638 1.00 21.22 C ATOM 1804 C VAL A 121 13.709 -6.175 -8.296 1.00 45.24 C ATOM 1805 O VAL A 121 13.368 -5.255 -9.041 1.00 55.42 O ATOM 1806 CB VAL A 121 14.391 -8.140 -9.674 1.00 74.22 C ATOM 1807 CG1 VAL A 121 15.811 -8.008 -9.143 1.00 73.31 C ATOM 1808 CG2 VAL A 121 14.085 -9.584 -10.046 1.00 33.42 C ATOM 0 H VAL A 121 11.785 -7.135 -9.914 1.00 53.02 H new ATOM 0 HA VAL A 121 13.445 -8.232 -7.736 1.00 21.22 H new ATOM 0 HB VAL A 121 14.307 -7.531 -10.574 1.00 74.22 H new ATOM 0 HG11 VAL A 121 16.514 -8.378 -9.889 1.00 73.31 H new ATOM 0 HG12 VAL A 121 16.024 -6.960 -8.932 1.00 73.31 H new ATOM 0 HG13 VAL A 121 15.913 -8.591 -8.228 1.00 73.31 H new ATOM 0 HG21 VAL A 121 14.812 -9.933 -10.779 1.00 33.42 H new ATOM 0 HG22 VAL A 121 14.140 -10.209 -9.155 1.00 33.42 H new ATOM 0 HG23 VAL A 121 13.083 -9.646 -10.471 1.00 33.42 H new ATOM 1818 N VAL A 122 14.378 -5.979 -7.164 1.00 24.04 N ATOM 1819 CA VAL A 122 14.758 -4.642 -6.723 1.00 52.24 C ATOM 1820 C VAL A 122 16.238 -4.380 -6.979 1.00 2.02 C ATOM 1821 O VAL A 122 17.106 -4.951 -6.317 1.00 64.54 O ATOM 1822 CB VAL A 122 14.465 -4.441 -5.224 1.00 41.24 C ATOM 1823 CG1 VAL A 122 14.901 -3.055 -4.776 1.00 71.54 C ATOM 1824 CG2 VAL A 122 12.988 -4.663 -4.937 1.00 53.13 C ATOM 0 H VAL A 122 14.668 -6.729 -6.536 1.00 24.04 H new ATOM 0 HA VAL A 122 14.161 -3.936 -7.300 1.00 52.24 H new ATOM 0 HB VAL A 122 15.037 -5.176 -4.657 1.00 41.24 H new ATOM 0 HG11 VAL A 122 14.686 -2.931 -3.715 1.00 71.54 H new ATOM 0 HG12 VAL A 122 15.971 -2.938 -4.946 1.00 71.54 H new ATOM 0 HG13 VAL A 122 14.359 -2.301 -5.346 1.00 71.54 H new ATOM 0 HG21 VAL A 122 12.798 -4.517 -3.874 1.00 53.13 H new ATOM 0 HG22 VAL A 122 12.395 -3.952 -5.512 1.00 53.13 H new ATOM 0 HG23 VAL A 122 12.711 -5.679 -5.219 1.00 53.13 H new ATOM 1834 N THR A 123 16.521 -3.513 -7.946 1.00 65.41 N ATOM 1835 CA THR A 123 17.897 -3.174 -8.290 1.00 45.23 C ATOM 1836 C THR A 123 18.300 -1.831 -7.691 1.00 73.22 C ATOM 1837 O THR A 123 17.454 -0.974 -7.441 1.00 50.41 O ATOM 1838 CB THR A 123 18.096 -3.122 -9.816 1.00 11.34 C ATOM 1839 OG1 THR A 123 17.296 -2.077 -10.380 1.00 23.43 O ATOM 1840 CG2 THR A 123 17.726 -4.452 -10.456 1.00 1.51 C ATOM 0 H THR A 123 15.816 -3.033 -8.505 1.00 65.41 H new ATOM 0 HA THR A 123 18.529 -3.958 -7.874 1.00 45.23 H new ATOM 0 HB THR A 123 19.149 -2.921 -10.016 1.00 11.34 H new ATOM 0 HG1 THR A 123 17.430 -2.050 -11.350 1.00 23.43 H new ATOM 0 HG21 THR A 123 17.875 -4.391 -11.534 1.00 1.51 H new ATOM 0 HG22 THR A 123 18.357 -5.241 -10.047 1.00 1.51 H new ATOM 0 HG23 THR A 123 16.681 -4.678 -10.246 1.00 1.51 H new ATOM 1848 N ASN A 124 19.598 -1.657 -7.462 1.00 2.14 N ATOM 1849 CA ASN A 124 20.113 -0.417 -6.892 1.00 14.35 C ATOM 1850 C ASN A 124 19.608 0.792 -7.673 1.00 21.24 C ATOM 1851 O ASN A 124 19.290 0.707 -8.859 1.00 34.35 O ATOM 1852 CB ASN A 124 21.642 -0.433 -6.884 1.00 43.11 C ATOM 1853 CG ASN A 124 22.205 -1.755 -6.399 1.00 33.41 C ATOM 1854 OD1 ASN A 124 21.530 -2.512 -5.702 1.00 65.11 O ATOM 1855 ND2 ASN A 124 23.449 -2.039 -6.768 1.00 53.22 N ATOM 0 H ASN A 124 20.311 -2.358 -7.662 1.00 2.14 H new ATOM 0 HA ASN A 124 19.752 -0.339 -5.866 1.00 14.35 H new ATOM 0 HB2 ASN A 124 22.010 -0.232 -7.890 1.00 43.11 H new ATOM 0 HB3 ASN A 124 22.007 0.371 -6.245 1.00 43.11 H new ATOM 0 HD21 ASN A 124 23.881 -2.914 -6.473 1.00 53.22 H new ATOM 0 HD22 ASN A 124 23.972 -1.382 -7.347 1.00 53.22 H new ATOM 1862 N PRO A 125 19.535 1.946 -6.994 1.00 1.24 N ATOM 1863 CA PRO A 125 19.072 3.196 -7.605 1.00 4.12 C ATOM 1864 C PRO A 125 20.064 3.745 -8.624 1.00 22.32 C ATOM 1865 O PRO A 125 21.046 4.395 -8.262 1.00 40.34 O ATOM 1866 CB PRO A 125 18.947 4.148 -6.413 1.00 23.43 C ATOM 1867 CG PRO A 125 19.899 3.613 -5.399 1.00 21.31 C ATOM 1868 CD PRO A 125 19.898 2.121 -5.578 1.00 10.43 C ATOM 0 HA PRO A 125 18.143 3.060 -8.158 1.00 4.12 H new ATOM 0 HB2 PRO A 125 19.201 5.170 -6.694 1.00 23.43 H new ATOM 0 HB3 PRO A 125 17.928 4.168 -6.027 1.00 23.43 H new ATOM 0 HG2 PRO A 125 20.898 4.023 -5.547 1.00 21.31 H new ATOM 0 HG3 PRO A 125 19.589 3.885 -4.390 1.00 21.31 H new ATOM 0 HD2 PRO A 125 20.874 1.689 -5.357 1.00 10.43 H new ATOM 0 HD3 PRO A 125 19.179 1.638 -4.916 1.00 10.43 H new ATOM 1876 N LYS A 126 19.802 3.482 -9.899 1.00 1.50 N ATOM 1877 CA LYS A 126 20.671 3.951 -10.972 1.00 65.42 C ATOM 1878 C LYS A 126 20.917 5.452 -10.856 1.00 33.33 C ATOM 1879 O LYS A 126 21.964 5.952 -11.266 1.00 12.21 O ATOM 1880 CB LYS A 126 20.053 3.628 -12.335 1.00 4.33 C ATOM 1881 CG LYS A 126 18.889 4.530 -12.703 1.00 21.32 C ATOM 1882 CD LYS A 126 17.656 4.217 -11.871 1.00 73.25 C ATOM 1883 CE LYS A 126 16.418 4.902 -12.428 1.00 21.43 C ATOM 1884 NZ LYS A 126 15.925 4.235 -13.665 1.00 72.12 N1+ ATOM 0 H LYS A 126 18.994 2.946 -10.215 1.00 1.50 H new ATOM 0 HA LYS A 126 21.627 3.436 -10.883 1.00 65.42 H new ATOM 0 HB2 LYS A 126 20.823 3.711 -13.102 1.00 4.33 H new ATOM 0 HB3 LYS A 126 19.713 2.592 -12.334 1.00 4.33 H new ATOM 0 HG2 LYS A 126 19.174 5.572 -12.555 1.00 21.32 H new ATOM 0 HG3 LYS A 126 18.655 4.410 -13.761 1.00 21.32 H new ATOM 0 HD2 LYS A 126 17.496 3.139 -11.847 1.00 73.25 H new ATOM 0 HD3 LYS A 126 17.819 4.538 -10.842 1.00 73.25 H new ATOM 0 HE2 LYS A 126 15.630 4.898 -11.674 1.00 21.43 H new ATOM 0 HE3 LYS A 126 16.647 5.946 -12.644 1.00 21.43 H new ATOM 0 HZ1 LYS A 126 14.993 4.620 -13.919 1.00 72.12 H new ATOM 0 HZ2 LYS A 126 16.594 4.407 -14.442 1.00 72.12 H new ATOM 0 HZ3 LYS A 126 15.844 3.212 -13.499 1.00 72.12 H new ATOM 1898 N GLU A 127 19.945 6.164 -10.295 1.00 63.52 N ATOM 1899 CA GLU A 127 20.057 7.608 -10.125 1.00 4.22 C ATOM 1900 C GLU A 127 21.363 7.974 -9.425 1.00 54.22 C ATOM 1901 O GLU A 127 21.375 8.777 -8.493 1.00 33.32 O ATOM 1902 CB GLU A 127 18.869 8.143 -9.324 1.00 12.12 C ATOM 1903 CG GLU A 127 17.582 8.232 -10.128 1.00 23.42 C ATOM 1904 CD GLU A 127 16.470 8.935 -9.374 1.00 72.31 C ATOM 1905 OE1 GLU A 127 16.582 10.159 -9.153 1.00 54.12 O ATOM 1906 OE2 GLU A 127 15.487 8.260 -9.005 1.00 44.44 O1- ATOM 0 H GLU A 127 19.072 5.765 -9.951 1.00 63.52 H new ATOM 0 HA GLU A 127 20.055 8.066 -11.114 1.00 4.22 H new ATOM 0 HB2 GLU A 127 18.704 7.498 -8.461 1.00 12.12 H new ATOM 0 HB3 GLU A 127 19.117 9.133 -8.940 1.00 12.12 H new ATOM 0 HG2 GLU A 127 17.776 8.763 -11.060 1.00 23.42 H new ATOM 0 HG3 GLU A 127 17.255 7.227 -10.396 1.00 23.42 H new TER 1913 GLU A 127