USER MOD reduce.3.24.130724 H: found=0, std=0, add=551, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 552 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 29 MET CE :methyl -143:sc= -4.23! (180deg=-5.63!) USER MOD Set 1.2: A 35 SER OG : rot -38:sc= 1.32 USER MOD Set 1.3: A 62 SER OG : rot 12:sc=-0.00652 USER MOD Single : A 2 THR OG1 : rot 24:sc= 0.117 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 CYS SG : rot 62:sc= -2.04! USER MOD Single : A 9 THR OG1 : rot -23:sc= 0.733 USER MOD Single : A 14 ASN : amide:sc= 0.337 K(o=0.34,f=-1.5) USER MOD Single : A 17 SER OG : rot 180:sc=-0.00141 USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.0351 (180deg=-0.311) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.853 USER MOD Single : A 27 GLN : amide:sc= -1.54 X(o=-1.5,f=-1.9) USER MOD Single : A 32 THR OG1 : rot -78:sc= 1.15 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 164:sc= 1.11 USER MOD Single : A 44 LYS NZ :NH3+ -153:sc= 1.24 (180deg=0.99) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= -0.0356 (180deg=-0.224) USER MOD Single : A 48 LYS NZ :NH3+ -168:sc= -0.0291 (180deg=-0.231) USER MOD Single : A 49 GLN : amide:sc= -0.475 K(o=-0.48,f=-4.7!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.638 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.00167 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -173:sc=-0.00394 (180deg=-0.0988) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 38 N THR A 2 -7.058 -2.991 -22.420 1.00 42.30 N ATOM 39 CA THR A 2 -6.733 -1.946 -21.487 1.00 10.11 C ATOM 40 C THR A 2 -7.390 -2.313 -20.175 1.00 22.02 C ATOM 41 O THR A 2 -8.602 -2.493 -20.118 1.00 53.34 O ATOM 42 CB THR A 2 -7.299 -0.605 -21.962 1.00 63.12 C ATOM 43 OG1 THR A 2 -6.822 -0.324 -23.294 1.00 71.53 O ATOM 44 CG2 THR A 2 -6.888 0.521 -21.017 1.00 44.24 C ATOM 0 HA THR A 2 -5.652 -1.848 -21.391 1.00 10.11 H new ATOM 0 HB THR A 2 -8.387 -0.669 -21.969 1.00 63.12 H new ATOM 0 HG1 THR A 2 -6.580 -1.163 -23.739 1.00 71.53 H new ATOM 0 HG21 THR A 2 -7.301 1.464 -21.374 1.00 44.24 H new ATOM 0 HG22 THR A 2 -7.268 0.314 -20.017 1.00 44.24 H new ATOM 0 HG23 THR A 2 -5.801 0.590 -20.985 1.00 44.24 H new ATOM 52 N VAL A 3 -6.624 -2.434 -19.146 1.00 73.25 N ATOM 53 CA VAL A 3 -7.158 -2.907 -17.907 1.00 33.54 C ATOM 54 C VAL A 3 -7.284 -1.786 -16.881 1.00 42.04 C ATOM 55 O VAL A 3 -6.315 -1.073 -16.608 1.00 1.21 O ATOM 56 CB VAL A 3 -6.284 -4.039 -17.334 1.00 52.42 C ATOM 57 CG1 VAL A 3 -6.872 -4.566 -16.079 1.00 30.30 C ATOM 58 CG2 VAL A 3 -6.114 -5.173 -18.321 1.00 31.03 C ATOM 0 H VAL A 3 -5.628 -2.214 -19.133 1.00 73.25 H new ATOM 0 HA VAL A 3 -8.156 -3.292 -18.114 1.00 33.54 H new ATOM 0 HB VAL A 3 -5.302 -3.612 -17.129 1.00 52.42 H new ATOM 0 HG11 VAL A 3 -6.241 -5.365 -15.689 1.00 30.30 H new ATOM 0 HG12 VAL A 3 -6.939 -3.764 -15.344 1.00 30.30 H new ATOM 0 HG13 VAL A 3 -7.869 -4.957 -16.281 1.00 30.30 H new ATOM 0 HG21 VAL A 3 -5.491 -5.950 -17.878 1.00 31.03 H new ATOM 0 HG22 VAL A 3 -7.091 -5.588 -18.570 1.00 31.03 H new ATOM 0 HG23 VAL A 3 -5.637 -4.799 -19.227 1.00 31.03 H new ATOM 68 N TYR A 4 -8.482 -1.625 -16.338 1.00 62.31 N ATOM 69 CA TYR A 4 -8.727 -0.656 -15.294 1.00 60.13 C ATOM 70 C TYR A 4 -8.767 -1.373 -13.935 1.00 0.33 C ATOM 71 O TYR A 4 -9.403 -2.430 -13.796 1.00 61.10 O ATOM 72 CB TYR A 4 -10.050 0.061 -15.540 1.00 13.25 C ATOM 73 CG TYR A 4 -10.147 0.769 -16.882 1.00 34.21 C ATOM 74 CD1 TYR A 4 -10.644 0.112 -18.000 1.00 14.53 C ATOM 75 CD2 TYR A 4 -9.764 2.089 -17.022 1.00 42.31 C ATOM 76 CE1 TYR A 4 -10.758 0.751 -19.213 1.00 53.12 C ATOM 77 CE2 TYR A 4 -9.870 2.739 -18.235 1.00 70.20 C ATOM 78 CZ TYR A 4 -10.373 2.064 -19.326 1.00 35.34 C ATOM 79 OH TYR A 4 -10.493 2.709 -20.541 1.00 12.22 O ATOM 0 H TYR A 4 -9.305 -2.163 -16.611 1.00 62.31 H new ATOM 0 HA TYR A 4 -7.925 0.082 -15.295 1.00 60.13 H new ATOM 0 HB2 TYR A 4 -10.860 -0.665 -15.468 1.00 13.25 H new ATOM 0 HB3 TYR A 4 -10.205 0.792 -14.746 1.00 13.25 H new ATOM 0 HD1 TYR A 4 -10.947 -0.921 -17.916 1.00 14.53 H new ATOM 0 HD2 TYR A 4 -9.375 2.622 -16.167 1.00 42.31 H new ATOM 0 HE1 TYR A 4 -11.148 0.223 -20.071 1.00 53.12 H new ATOM 0 HE2 TYR A 4 -9.561 3.770 -18.328 1.00 70.20 H new ATOM 0 HH TYR A 4 -10.179 3.633 -20.453 1.00 12.22 H new ATOM 89 N ILE A 5 -8.082 -0.818 -12.956 1.00 33.51 N ATOM 90 CA ILE A 5 -8.009 -1.405 -11.623 1.00 25.04 C ATOM 91 C ILE A 5 -8.614 -0.432 -10.602 1.00 75.31 C ATOM 92 O ILE A 5 -8.137 0.701 -10.440 1.00 2.32 O ATOM 93 CB ILE A 5 -6.529 -1.668 -11.116 1.00 64.12 C ATOM 94 CG1 ILE A 5 -5.621 -2.517 -12.043 1.00 23.12 C ATOM 95 CG2 ILE A 5 -6.559 -2.348 -9.748 1.00 40.41 C ATOM 96 CD1 ILE A 5 -5.357 -1.983 -13.441 1.00 13.53 C ATOM 0 H ILE A 5 -7.559 0.052 -13.056 1.00 33.51 H new ATOM 0 HA ILE A 5 -8.541 -2.353 -11.700 1.00 25.04 H new ATOM 0 HB ILE A 5 -6.087 -0.672 -11.089 1.00 64.12 H new ATOM 0 HG12 ILE A 5 -4.660 -2.648 -11.545 1.00 23.12 H new ATOM 0 HG13 ILE A 5 -6.068 -3.506 -12.139 1.00 23.12 H new ATOM 0 HG21 ILE A 5 -5.539 -2.525 -9.407 1.00 40.41 H new ATOM 0 HG22 ILE A 5 -7.074 -1.706 -9.034 1.00 40.41 H new ATOM 0 HG23 ILE A 5 -7.086 -3.299 -9.826 1.00 40.41 H new ATOM 0 HD11 ILE A 5 -4.709 -2.675 -13.978 1.00 13.53 H new ATOM 0 HD12 ILE A 5 -6.301 -1.881 -13.976 1.00 13.53 H new ATOM 0 HD13 ILE A 5 -4.871 -1.010 -13.373 1.00 13.53 H new ATOM 108 N CYS A 6 -9.649 -0.849 -9.957 1.00 42.32 N ATOM 109 CA CYS A 6 -10.186 -0.139 -8.840 1.00 22.53 C ATOM 110 C CYS A 6 -10.279 -1.105 -7.681 1.00 33.23 C ATOM 111 O CYS A 6 -11.250 -1.858 -7.577 1.00 20.35 O ATOM 112 CB CYS A 6 -11.547 0.490 -9.128 1.00 74.05 C ATOM 113 SG CYS A 6 -12.268 1.385 -7.729 1.00 2.23 S ATOM 0 H CYS A 6 -10.155 -1.703 -10.191 1.00 42.32 H new ATOM 0 HA CYS A 6 -9.523 0.694 -8.606 1.00 22.53 H new ATOM 0 HB2 CYS A 6 -11.446 1.176 -9.969 1.00 74.05 H new ATOM 0 HB3 CYS A 6 -12.238 -0.294 -9.437 1.00 74.05 H new ATOM 0 HG CYS A 6 -11.493 2.376 -7.402 1.00 2.23 H new ATOM 119 N PRO A 7 -9.255 -1.147 -6.818 1.00 54.51 N ATOM 120 CA PRO A 7 -9.242 -2.051 -5.657 1.00 15.02 C ATOM 121 C PRO A 7 -10.395 -1.756 -4.700 1.00 62.34 C ATOM 122 O PRO A 7 -10.853 -2.631 -3.968 1.00 34.01 O ATOM 123 CB PRO A 7 -7.898 -1.741 -4.974 1.00 4.53 C ATOM 124 CG PRO A 7 -7.063 -1.107 -6.034 1.00 3.24 C ATOM 125 CD PRO A 7 -8.016 -0.341 -6.902 1.00 11.32 C ATOM 0 HA PRO A 7 -9.355 -3.095 -5.948 1.00 15.02 H new ATOM 0 HB2 PRO A 7 -8.032 -1.071 -4.124 1.00 4.53 H new ATOM 0 HB3 PRO A 7 -7.430 -2.649 -4.593 1.00 4.53 H new ATOM 0 HG2 PRO A 7 -6.314 -0.446 -5.598 1.00 3.24 H new ATOM 0 HG3 PRO A 7 -6.527 -1.860 -6.612 1.00 3.24 H new ATOM 0 HD2 PRO A 7 -8.169 0.675 -6.537 1.00 11.32 H new ATOM 0 HD3 PRO A 7 -7.654 -0.261 -7.927 1.00 11.32 H new ATOM 133 N GLU A 8 -10.871 -0.525 -4.770 1.00 13.02 N ATOM 134 CA GLU A 8 -11.917 -0.001 -3.910 1.00 4.20 C ATOM 135 C GLU A 8 -13.221 -0.759 -4.088 1.00 32.22 C ATOM 136 O GLU A 8 -13.667 -1.478 -3.198 1.00 13.40 O ATOM 137 CB GLU A 8 -12.210 1.436 -4.288 1.00 33.01 C ATOM 138 CG GLU A 8 -11.023 2.330 -4.381 1.00 64.33 C ATOM 139 CD GLU A 8 -11.423 3.696 -4.830 1.00 25.44 C ATOM 140 OE1 GLU A 8 -11.916 4.489 -3.990 1.00 61.32 O ATOM 141 OE2 GLU A 8 -11.300 3.991 -6.043 1.00 34.35 O ATOM 0 H GLU A 8 -10.530 0.157 -5.447 1.00 13.02 H new ATOM 0 HA GLU A 8 -11.562 -0.096 -2.884 1.00 4.20 H new ATOM 0 HB2 GLU A 8 -12.724 1.443 -5.249 1.00 33.01 H new ATOM 0 HB3 GLU A 8 -12.900 1.853 -3.554 1.00 33.01 H new ATOM 0 HG2 GLU A 8 -10.531 2.391 -3.410 1.00 64.33 H new ATOM 0 HG3 GLU A 8 -10.299 1.910 -5.080 1.00 64.33 H new ATOM 148 N THR A 9 -13.816 -0.594 -5.252 1.00 22.50 N ATOM 149 CA THR A 9 -15.135 -1.088 -5.498 1.00 4.34 C ATOM 150 C THR A 9 -15.196 -2.034 -6.704 1.00 44.13 C ATOM 151 O THR A 9 -16.287 -2.468 -7.110 1.00 74.32 O ATOM 152 CB THR A 9 -16.124 0.109 -5.659 1.00 44.32 C ATOM 153 OG1 THR A 9 -17.465 -0.345 -5.901 1.00 21.13 O ATOM 154 CG2 THR A 9 -15.675 1.051 -6.772 1.00 2.20 C ATOM 0 H THR A 9 -13.391 -0.114 -6.045 1.00 22.50 H new ATOM 0 HA THR A 9 -15.435 -1.684 -4.636 1.00 4.34 H new ATOM 0 HB THR A 9 -16.117 0.660 -4.718 1.00 44.32 H new ATOM 0 HG1 THR A 9 -17.441 -1.247 -6.282 1.00 21.13 H new ATOM 0 HG21 THR A 9 -16.384 1.874 -6.860 1.00 2.20 H new ATOM 0 HG22 THR A 9 -14.687 1.446 -6.537 1.00 2.20 H new ATOM 0 HG23 THR A 9 -15.633 0.506 -7.715 1.00 2.20 H new ATOM 162 N GLY A 10 -14.054 -2.343 -7.292 1.00 64.35 N ATOM 163 CA GLY A 10 -14.053 -3.346 -8.328 1.00 30.41 C ATOM 164 C GLY A 10 -13.590 -4.659 -7.751 1.00 53.45 C ATOM 165 O GLY A 10 -13.411 -4.773 -6.528 1.00 51.33 O ATOM 0 H GLY A 10 -13.148 -1.928 -7.077 1.00 64.35 H new ATOM 0 HA2 GLY A 10 -15.053 -3.453 -8.747 1.00 30.41 H new ATOM 0 HA3 GLY A 10 -13.396 -3.042 -9.143 1.00 30.41 H new ATOM 169 N ASP A 11 -13.354 -5.621 -8.591 1.00 73.01 N ATOM 170 CA ASP A 11 -12.995 -6.950 -8.156 1.00 60.53 C ATOM 171 C ASP A 11 -12.189 -7.630 -9.237 1.00 11.33 C ATOM 172 O ASP A 11 -12.394 -7.385 -10.416 1.00 54.31 O ATOM 173 CB ASP A 11 -14.240 -7.780 -7.812 1.00 43.23 C ATOM 174 CG ASP A 11 -13.886 -9.152 -7.269 1.00 75.21 C ATOM 175 OD1 ASP A 11 -13.674 -9.284 -6.057 1.00 34.23 O ATOM 176 OD2 ASP A 11 -13.805 -10.109 -8.054 1.00 72.23 O ATOM 0 H ASP A 11 -13.404 -5.512 -9.604 1.00 73.01 H new ATOM 0 HA ASP A 11 -12.394 -6.870 -7.250 1.00 60.53 H new ATOM 0 HB2 ASP A 11 -14.839 -7.244 -7.076 1.00 43.23 H new ATOM 0 HB3 ASP A 11 -14.857 -7.893 -8.704 1.00 43.23 H new ATOM 181 N ASP A 12 -11.267 -8.462 -8.835 1.00 71.34 N ATOM 182 CA ASP A 12 -10.373 -9.176 -9.762 1.00 23.42 C ATOM 183 C ASP A 12 -11.108 -10.228 -10.598 1.00 50.12 C ATOM 184 O ASP A 12 -10.560 -10.746 -11.571 1.00 74.33 O ATOM 185 CB ASP A 12 -9.229 -9.829 -9.003 1.00 64.22 C ATOM 186 CG ASP A 12 -9.718 -10.814 -7.979 1.00 73.21 C ATOM 187 OD1 ASP A 12 -9.994 -10.396 -6.842 1.00 21.31 O ATOM 188 OD2 ASP A 12 -9.839 -12.008 -8.290 1.00 71.22 O ATOM 0 H ASP A 12 -11.098 -8.678 -7.853 1.00 71.34 H new ATOM 0 HA ASP A 12 -9.978 -8.430 -10.451 1.00 23.42 H new ATOM 0 HB2 ASP A 12 -8.570 -10.337 -9.708 1.00 64.22 H new ATOM 0 HB3 ASP A 12 -8.636 -9.059 -8.510 1.00 64.22 H new ATOM 193 N GLY A 13 -12.330 -10.543 -10.222 1.00 60.35 N ATOM 194 CA GLY A 13 -13.124 -11.489 -10.975 1.00 30.54 C ATOM 195 C GLY A 13 -13.797 -10.824 -12.157 1.00 13.41 C ATOM 196 O GLY A 13 -14.423 -11.489 -12.986 1.00 14.03 O ATOM 0 H GLY A 13 -12.794 -10.158 -9.400 1.00 60.35 H new ATOM 0 HA2 GLY A 13 -12.489 -12.302 -11.326 1.00 30.54 H new ATOM 0 HA3 GLY A 13 -13.879 -11.932 -10.325 1.00 30.54 H new ATOM 200 N ASN A 14 -13.657 -9.510 -12.234 1.00 54.31 N ATOM 201 CA ASN A 14 -14.227 -8.720 -13.319 1.00 61.23 C ATOM 202 C ASN A 14 -13.456 -8.881 -14.622 1.00 34.02 C ATOM 203 O ASN A 14 -12.461 -9.606 -14.695 1.00 35.24 O ATOM 204 CB ASN A 14 -14.300 -7.232 -12.947 1.00 12.01 C ATOM 205 CG ASN A 14 -15.366 -6.905 -11.922 1.00 60.42 C ATOM 206 OD1 ASN A 14 -16.387 -7.569 -11.842 1.00 43.01 O ATOM 207 ND2 ASN A 14 -15.158 -5.860 -11.163 1.00 1.13 N ATOM 0 H ASN A 14 -13.145 -8.958 -11.546 1.00 54.31 H new ATOM 0 HA ASN A 14 -15.236 -9.102 -13.474 1.00 61.23 H new ATOM 0 HB2 ASN A 14 -13.331 -6.916 -12.561 1.00 12.01 H new ATOM 0 HB3 ASN A 14 -14.488 -6.651 -13.850 1.00 12.01 H new ATOM 0 HD21 ASN A 14 -15.860 -5.579 -10.479 1.00 1.13 H new ATOM 0 HD22 ASN A 14 -14.293 -5.327 -11.255 1.00 1.13 H new ATOM 214 N ASP A 15 -13.923 -8.183 -15.644 1.00 22.54 N ATOM 215 CA ASP A 15 -13.317 -8.222 -16.981 1.00 64.42 C ATOM 216 C ASP A 15 -12.202 -7.171 -17.110 1.00 53.43 C ATOM 217 O ASP A 15 -11.382 -7.207 -18.035 1.00 22.04 O ATOM 218 CB ASP A 15 -14.410 -7.986 -18.041 1.00 4.05 C ATOM 219 CG ASP A 15 -13.895 -8.034 -19.467 1.00 70.11 C ATOM 220 OD1 ASP A 15 -13.685 -9.150 -20.000 1.00 10.40 O ATOM 221 OD2 ASP A 15 -13.699 -6.969 -20.069 1.00 71.35 O ATOM 0 H ASP A 15 -14.735 -7.569 -15.578 1.00 22.54 H new ATOM 0 HA ASP A 15 -12.866 -9.202 -17.138 1.00 64.42 H new ATOM 0 HB2 ASP A 15 -15.190 -8.738 -17.920 1.00 4.05 H new ATOM 0 HB3 ASP A 15 -14.873 -7.015 -17.863 1.00 4.05 H new ATOM 226 N GLY A 16 -12.162 -6.255 -16.158 1.00 52.33 N ATOM 227 CA GLY A 16 -11.177 -5.192 -16.185 1.00 70.31 C ATOM 228 C GLY A 16 -11.595 -4.002 -17.016 1.00 3.32 C ATOM 229 O GLY A 16 -10.764 -3.167 -17.384 1.00 20.42 O ATOM 0 H GLY A 16 -12.798 -6.227 -15.361 1.00 52.33 H new ATOM 0 HA2 GLY A 16 -10.983 -4.862 -15.165 1.00 70.31 H new ATOM 0 HA3 GLY A 16 -10.239 -5.587 -16.576 1.00 70.31 H new ATOM 233 N SER A 17 -12.873 -3.936 -17.313 1.00 31.30 N ATOM 234 CA SER A 17 -13.458 -2.824 -18.030 1.00 74.15 C ATOM 235 C SER A 17 -13.498 -1.620 -17.084 1.00 42.34 C ATOM 236 O SER A 17 -13.258 -1.767 -15.891 1.00 12.34 O ATOM 237 CB SER A 17 -14.886 -3.225 -18.477 1.00 23.40 C ATOM 238 OG SER A 17 -15.567 -2.181 -19.167 1.00 64.35 O ATOM 0 H SER A 17 -13.544 -4.661 -17.061 1.00 31.30 H new ATOM 0 HA SER A 17 -12.875 -2.565 -18.914 1.00 74.15 H new ATOM 0 HB2 SER A 17 -14.826 -4.101 -19.123 1.00 23.40 H new ATOM 0 HB3 SER A 17 -15.467 -3.514 -17.601 1.00 23.40 H new ATOM 0 HG SER A 17 -16.460 -2.489 -19.427 1.00 64.35 H new ATOM 244 N GLU A 18 -13.798 -0.446 -17.589 1.00 72.52 N ATOM 245 CA GLU A 18 -13.878 0.708 -16.740 1.00 0.12 C ATOM 246 C GLU A 18 -15.095 0.576 -15.813 1.00 32.42 C ATOM 247 O GLU A 18 -15.092 1.044 -14.668 1.00 23.44 O ATOM 248 CB GLU A 18 -13.955 1.980 -17.583 1.00 74.33 C ATOM 249 CG GLU A 18 -13.989 3.234 -16.764 1.00 2.31 C ATOM 250 CD GLU A 18 -13.959 4.485 -17.589 1.00 24.24 C ATOM 251 OE1 GLU A 18 -14.997 4.884 -18.125 1.00 14.13 O ATOM 252 OE2 GLU A 18 -12.892 5.102 -17.706 1.00 12.52 O ATOM 0 H GLU A 18 -13.988 -0.271 -18.576 1.00 72.52 H new ATOM 0 HA GLU A 18 -12.981 0.774 -16.125 1.00 0.12 H new ATOM 0 HB2 GLU A 18 -13.096 2.016 -18.253 1.00 74.33 H new ATOM 0 HB3 GLU A 18 -14.846 1.939 -18.209 1.00 74.33 H new ATOM 0 HG2 GLU A 18 -14.890 3.234 -16.150 1.00 2.31 H new ATOM 0 HG3 GLU A 18 -13.139 3.237 -16.082 1.00 2.31 H new ATOM 259 N LEU A 19 -16.117 -0.102 -16.314 1.00 42.24 N ATOM 260 CA LEU A 19 -17.318 -0.341 -15.559 1.00 14.23 C ATOM 261 C LEU A 19 -17.151 -1.542 -14.638 1.00 50.32 C ATOM 262 O LEU A 19 -17.894 -1.713 -13.679 1.00 71.42 O ATOM 263 CB LEU A 19 -18.480 -0.558 -16.488 1.00 32.23 C ATOM 264 CG LEU A 19 -18.787 0.593 -17.436 1.00 53.32 C ATOM 265 CD1 LEU A 19 -20.047 0.305 -18.164 1.00 3.00 C ATOM 266 CD2 LEU A 19 -18.889 1.918 -16.692 1.00 73.22 C ATOM 0 H LEU A 19 -16.128 -0.497 -17.254 1.00 42.24 H new ATOM 0 HA LEU A 19 -17.514 0.537 -14.943 1.00 14.23 H new ATOM 0 HB2 LEU A 19 -18.286 -1.452 -17.081 1.00 32.23 H new ATOM 0 HB3 LEU A 19 -19.368 -0.759 -15.889 1.00 32.23 H new ATOM 0 HG LEU A 19 -17.967 0.685 -18.148 1.00 53.32 H new ATOM 0 HD11 LEU A 19 -20.270 1.127 -18.844 1.00 3.00 H new ATOM 0 HD12 LEU A 19 -19.935 -0.617 -18.734 1.00 3.00 H new ATOM 0 HD13 LEU A 19 -20.863 0.193 -17.450 1.00 3.00 H new ATOM 0 HD21 LEU A 19 -19.109 2.717 -17.400 1.00 73.22 H new ATOM 0 HD22 LEU A 19 -19.687 1.859 -15.952 1.00 73.22 H new ATOM 0 HD23 LEU A 19 -17.944 2.127 -16.191 1.00 73.22 H new ATOM 278 N LYS A 20 -16.156 -2.366 -14.932 1.00 62.23 N ATOM 279 CA LYS A 20 -15.848 -3.553 -14.126 1.00 3.01 C ATOM 280 C LYS A 20 -14.375 -3.587 -13.858 1.00 53.34 C ATOM 281 O LYS A 20 -13.658 -4.403 -14.448 1.00 41.24 O ATOM 282 CB LYS A 20 -16.208 -4.856 -14.842 1.00 52.03 C ATOM 283 CG LYS A 20 -17.645 -4.994 -15.285 1.00 14.42 C ATOM 284 CD LYS A 20 -17.866 -6.355 -15.918 1.00 40.42 C ATOM 285 CE LYS A 20 -19.330 -6.604 -16.247 1.00 63.32 C ATOM 286 NZ LYS A 20 -20.186 -6.575 -15.035 1.00 22.55 N ATOM 0 H LYS A 20 -15.537 -2.237 -15.732 1.00 62.23 H new ATOM 0 HA LYS A 20 -16.436 -3.481 -13.211 1.00 3.01 H new ATOM 0 HB2 LYS A 20 -15.568 -4.954 -15.719 1.00 52.03 H new ATOM 0 HB3 LYS A 20 -15.972 -5.689 -14.179 1.00 52.03 H new ATOM 0 HG2 LYS A 20 -18.311 -4.869 -14.431 1.00 14.42 H new ATOM 0 HG3 LYS A 20 -17.891 -4.208 -15.999 1.00 14.42 H new ATOM 0 HD2 LYS A 20 -17.273 -6.431 -16.829 1.00 40.42 H new ATOM 0 HD3 LYS A 20 -17.510 -7.131 -15.240 1.00 40.42 H new ATOM 0 HE2 LYS A 20 -19.676 -5.849 -16.953 1.00 63.32 H new ATOM 0 HE3 LYS A 20 -19.431 -7.571 -16.739 1.00 63.32 H new ATOM 0 HZ1 LYS A 20 -21.113 -6.992 -15.255 1.00 22.55 H new ATOM 0 HZ2 LYS A 20 -19.731 -7.121 -14.276 1.00 22.55 H new ATOM 0 HZ3 LYS A 20 -20.314 -5.591 -14.724 1.00 22.55 H new ATOM 300 N PRO A 21 -13.880 -2.707 -13.017 1.00 40.25 N ATOM 301 CA PRO A 21 -12.473 -2.634 -12.757 1.00 32.43 C ATOM 302 C PRO A 21 -12.004 -3.800 -11.903 1.00 15.13 C ATOM 303 O PRO A 21 -12.773 -4.347 -11.087 1.00 4.14 O ATOM 304 CB PRO A 21 -12.306 -1.305 -12.029 1.00 4.21 C ATOM 305 CG PRO A 21 -13.629 -1.031 -11.398 1.00 12.31 C ATOM 306 CD PRO A 21 -14.654 -1.713 -12.240 1.00 43.10 C ATOM 0 HA PRO A 21 -11.875 -2.691 -13.667 1.00 32.43 H new ATOM 0 HB2 PRO A 21 -11.517 -1.364 -11.279 1.00 4.21 H new ATOM 0 HB3 PRO A 21 -12.028 -0.510 -12.721 1.00 4.21 H new ATOM 0 HG2 PRO A 21 -13.655 -1.407 -10.375 1.00 12.31 H new ATOM 0 HG3 PRO A 21 -13.820 0.041 -11.348 1.00 12.31 H new ATOM 0 HD2 PRO A 21 -15.418 -2.193 -11.628 1.00 43.10 H new ATOM 0 HD3 PRO A 21 -15.166 -1.007 -12.894 1.00 43.10 H new ATOM 314 N LEU A 22 -10.780 -4.204 -12.108 1.00 5.43 N ATOM 315 CA LEU A 22 -10.200 -5.273 -11.336 1.00 43.23 C ATOM 316 C LEU A 22 -9.789 -4.737 -10.004 1.00 1.31 C ATOM 317 O LEU A 22 -9.741 -3.536 -9.816 1.00 20.12 O ATOM 318 CB LEU A 22 -8.994 -5.857 -12.047 1.00 44.20 C ATOM 319 CG LEU A 22 -9.264 -6.447 -13.418 1.00 53.02 C ATOM 320 CD1 LEU A 22 -7.993 -6.961 -14.013 1.00 75.33 C ATOM 321 CD2 LEU A 22 -10.300 -7.550 -13.339 1.00 25.04 C ATOM 0 H LEU A 22 -10.158 -3.805 -12.811 1.00 5.43 H new ATOM 0 HA LEU A 22 -10.938 -6.065 -11.211 1.00 43.23 H new ATOM 0 HB2 LEU A 22 -8.241 -5.075 -12.149 1.00 44.20 H new ATOM 0 HB3 LEU A 22 -8.563 -6.634 -11.415 1.00 44.20 H new ATOM 0 HG LEU A 22 -9.661 -5.661 -14.060 1.00 53.02 H new ATOM 0 HD11 LEU A 22 -8.197 -7.383 -14.997 1.00 75.33 H new ATOM 0 HD12 LEU A 22 -7.279 -6.143 -14.109 1.00 75.33 H new ATOM 0 HD13 LEU A 22 -7.575 -7.733 -13.367 1.00 75.33 H new ATOM 0 HD21 LEU A 22 -10.476 -7.956 -14.335 1.00 25.04 H new ATOM 0 HD22 LEU A 22 -9.939 -8.342 -12.683 1.00 25.04 H new ATOM 0 HD23 LEU A 22 -11.232 -7.146 -12.942 1.00 25.04 H new ATOM 333 N ARG A 23 -9.498 -5.595 -9.076 1.00 21.55 N ATOM 334 CA ARG A 23 -9.110 -5.112 -7.790 1.00 55.34 C ATOM 335 C ARG A 23 -7.633 -5.394 -7.512 1.00 2.44 C ATOM 336 O ARG A 23 -7.081 -4.935 -6.524 1.00 42.21 O ATOM 337 CB ARG A 23 -10.077 -5.617 -6.702 1.00 42.51 C ATOM 338 CG ARG A 23 -10.007 -7.071 -6.329 1.00 43.21 C ATOM 339 CD ARG A 23 -8.911 -7.353 -5.338 1.00 40.23 C ATOM 340 NE ARG A 23 -8.767 -8.779 -5.079 1.00 11.13 N ATOM 341 CZ ARG A 23 -8.055 -9.296 -4.081 1.00 41.13 C ATOM 342 NH1 ARG A 23 -7.450 -8.489 -3.202 1.00 53.34 N ATOM 343 NH2 ARG A 23 -7.943 -10.613 -3.961 1.00 41.23 N ATOM 0 H ARG A 23 -9.521 -6.609 -9.180 1.00 21.55 H new ATOM 0 HA ARG A 23 -9.195 -4.025 -7.773 1.00 55.34 H new ATOM 0 HB2 ARG A 23 -9.904 -5.030 -5.800 1.00 42.51 H new ATOM 0 HB3 ARG A 23 -11.094 -5.403 -7.031 1.00 42.51 H new ATOM 0 HG2 ARG A 23 -10.963 -7.383 -5.909 1.00 43.21 H new ATOM 0 HG3 ARG A 23 -9.844 -7.667 -7.227 1.00 43.21 H new ATOM 0 HD2 ARG A 23 -7.969 -6.956 -5.716 1.00 40.23 H new ATOM 0 HD3 ARG A 23 -9.124 -6.834 -4.404 1.00 40.23 H new ATOM 0 HE ARG A 23 -9.245 -9.426 -5.706 1.00 11.13 H new ATOM 0 HH11 ARG A 23 -7.535 -7.477 -3.297 1.00 53.34 H new ATOM 0 HH12 ARG A 23 -6.904 -8.886 -2.437 1.00 53.34 H new ATOM 0 HH21 ARG A 23 -8.402 -11.227 -4.633 1.00 41.23 H new ATOM 0 HH22 ARG A 23 -7.397 -11.011 -3.196 1.00 41.23 H new ATOM 357 N THR A 24 -7.004 -6.140 -8.410 1.00 2.00 N ATOM 358 CA THR A 24 -5.590 -6.441 -8.324 1.00 23.34 C ATOM 359 C THR A 24 -4.918 -6.157 -9.648 1.00 31.53 C ATOM 360 O THR A 24 -5.527 -6.334 -10.717 1.00 24.25 O ATOM 361 CB THR A 24 -5.302 -7.924 -7.932 1.00 45.40 C ATOM 362 OG1 THR A 24 -6.056 -8.824 -8.762 1.00 21.21 O ATOM 363 CG2 THR A 24 -5.577 -8.198 -6.469 1.00 41.43 C ATOM 0 H THR A 24 -7.466 -6.553 -9.220 1.00 2.00 H new ATOM 0 HA THR A 24 -5.190 -5.802 -7.536 1.00 23.34 H new ATOM 0 HB THR A 24 -4.238 -8.095 -8.097 1.00 45.40 H new ATOM 0 HG1 THR A 24 -5.861 -9.749 -8.503 1.00 21.21 H new ATOM 0 HG21 THR A 24 -5.361 -9.243 -6.248 1.00 41.43 H new ATOM 0 HG22 THR A 24 -4.944 -7.559 -5.854 1.00 41.43 H new ATOM 0 HG23 THR A 24 -6.624 -7.990 -6.250 1.00 41.43 H new ATOM 371 N LEU A 25 -3.679 -5.715 -9.589 1.00 60.33 N ATOM 372 CA LEU A 25 -2.898 -5.481 -10.786 1.00 33.53 C ATOM 373 C LEU A 25 -2.420 -6.835 -11.333 1.00 52.11 C ATOM 374 O LEU A 25 -2.077 -6.971 -12.509 1.00 45.33 O ATOM 375 CB LEU A 25 -1.731 -4.535 -10.482 1.00 44.11 C ATOM 376 CG LEU A 25 -0.841 -4.122 -11.664 1.00 12.01 C ATOM 377 CD1 LEU A 25 -1.659 -3.451 -12.766 1.00 54.53 C ATOM 378 CD2 LEU A 25 0.239 -3.184 -11.180 1.00 15.21 C ATOM 0 H LEU A 25 -3.188 -5.509 -8.719 1.00 60.33 H new ATOM 0 HA LEU A 25 -3.506 -4.995 -11.549 1.00 33.53 H new ATOM 0 HB2 LEU A 25 -2.138 -3.629 -10.032 1.00 44.11 H new ATOM 0 HB3 LEU A 25 -1.098 -5.008 -9.731 1.00 44.11 H new ATOM 0 HG LEU A 25 -0.387 -5.020 -12.082 1.00 12.01 H new ATOM 0 HD11 LEU A 25 -1.001 -3.170 -13.588 1.00 54.53 H new ATOM 0 HD12 LEU A 25 -2.418 -4.144 -13.129 1.00 54.53 H new ATOM 0 HD13 LEU A 25 -2.143 -2.559 -12.368 1.00 54.53 H new ATOM 0 HD21 LEU A 25 0.870 -2.892 -12.019 1.00 15.21 H new ATOM 0 HD22 LEU A 25 -0.219 -2.296 -10.744 1.00 15.21 H new ATOM 0 HD23 LEU A 25 0.847 -3.686 -10.427 1.00 15.21 H new ATOM 390 N TYR A 26 -2.416 -7.828 -10.451 1.00 15.41 N ATOM 391 CA TYR A 26 -2.102 -9.203 -10.799 1.00 2.22 C ATOM 392 C TYR A 26 -3.041 -9.734 -11.889 1.00 62.21 C ATOM 393 O TYR A 26 -2.581 -10.277 -12.892 1.00 43.43 O ATOM 394 CB TYR A 26 -2.209 -10.092 -9.558 1.00 1.24 C ATOM 395 CG TYR A 26 -1.914 -11.546 -9.829 1.00 64.34 C ATOM 396 CD1 TYR A 26 -0.627 -11.979 -9.927 1.00 3.25 C ATOM 397 CD2 TYR A 26 -2.929 -12.476 -9.996 1.00 65.40 C ATOM 398 CE1 TYR A 26 -0.328 -13.291 -10.184 1.00 61.41 C ATOM 399 CE2 TYR A 26 -2.643 -13.794 -10.255 1.00 24.43 C ATOM 400 CZ TYR A 26 -1.340 -14.196 -10.351 1.00 5.40 C ATOM 401 OH TYR A 26 -1.050 -15.513 -10.616 1.00 51.04 O ATOM 0 H TYR A 26 -2.634 -7.696 -9.463 1.00 15.41 H new ATOM 0 HA TYR A 26 -1.083 -9.225 -11.184 1.00 2.22 H new ATOM 0 HB2 TYR A 26 -1.519 -9.725 -8.798 1.00 1.24 H new ATOM 0 HB3 TYR A 26 -3.214 -10.005 -9.144 1.00 1.24 H new ATOM 0 HD1 TYR A 26 0.178 -11.271 -9.799 1.00 3.25 H new ATOM 0 HD2 TYR A 26 -3.959 -12.159 -9.921 1.00 65.40 H new ATOM 0 HE1 TYR A 26 0.702 -13.609 -10.254 1.00 61.41 H new ATOM 0 HE2 TYR A 26 -3.443 -14.509 -10.382 1.00 24.43 H new ATOM 0 HH TYR A 26 -1.884 -16.020 -10.705 1.00 51.04 H new ATOM 411 N GLN A 27 -4.357 -9.571 -11.697 1.00 42.53 N ATOM 412 CA GLN A 27 -5.326 -10.039 -12.692 1.00 33.32 C ATOM 413 C GLN A 27 -5.121 -9.304 -14.019 1.00 53.41 C ATOM 414 O GLN A 27 -5.264 -9.888 -15.090 1.00 1.41 O ATOM 415 CB GLN A 27 -6.779 -9.911 -12.175 1.00 23.32 C ATOM 416 CG GLN A 27 -7.866 -10.306 -13.196 1.00 2.31 C ATOM 417 CD GLN A 27 -7.763 -11.742 -13.685 1.00 24.01 C ATOM 418 OE1 GLN A 27 -7.312 -12.633 -12.971 1.00 30.12 O ATOM 419 NE2 GLN A 27 -8.174 -11.961 -14.915 1.00 21.42 N ATOM 0 H GLN A 27 -4.768 -9.126 -10.876 1.00 42.53 H new ATOM 0 HA GLN A 27 -5.153 -11.101 -12.868 1.00 33.32 H new ATOM 0 HB2 GLN A 27 -6.890 -10.534 -11.288 1.00 23.32 H new ATOM 0 HB3 GLN A 27 -6.950 -8.880 -11.864 1.00 23.32 H new ATOM 0 HG2 GLN A 27 -8.846 -10.157 -12.744 1.00 2.31 H new ATOM 0 HG3 GLN A 27 -7.805 -9.636 -14.053 1.00 2.31 H new ATOM 0 HE21 GLN A 27 -8.542 -11.192 -15.474 1.00 21.42 H new ATOM 0 HE22 GLN A 27 -8.125 -12.900 -15.310 1.00 21.42 H new ATOM 428 N ALA A 28 -4.751 -8.034 -13.931 1.00 51.13 N ATOM 429 CA ALA A 28 -4.451 -7.226 -15.094 1.00 52.53 C ATOM 430 C ALA A 28 -3.298 -7.854 -15.888 1.00 52.34 C ATOM 431 O ALA A 28 -3.321 -7.906 -17.124 1.00 12.01 O ATOM 432 CB ALA A 28 -4.112 -5.811 -14.656 1.00 52.34 C ATOM 0 H ALA A 28 -4.652 -7.538 -13.045 1.00 51.13 H new ATOM 0 HA ALA A 28 -5.323 -7.185 -15.747 1.00 52.53 H new ATOM 0 HB1 ALA A 28 -3.886 -5.203 -15.532 1.00 52.34 H new ATOM 0 HB2 ALA A 28 -4.961 -5.381 -14.125 1.00 52.34 H new ATOM 0 HB3 ALA A 28 -3.245 -5.832 -13.996 1.00 52.34 H new ATOM 438 N MET A 29 -2.311 -8.348 -15.167 1.00 1.23 N ATOM 439 CA MET A 29 -1.194 -9.048 -15.746 1.00 54.42 C ATOM 440 C MET A 29 -1.597 -10.364 -16.374 1.00 52.12 C ATOM 441 O MET A 29 -0.998 -10.779 -17.333 1.00 3.22 O ATOM 442 CB MET A 29 -0.073 -9.248 -14.741 1.00 20.51 C ATOM 443 CG MET A 29 0.769 -8.019 -14.497 1.00 72.24 C ATOM 444 SD MET A 29 1.647 -7.488 -15.946 1.00 43.13 S ATOM 445 CE MET A 29 2.518 -6.151 -15.189 1.00 1.25 C ATOM 0 H MET A 29 -2.267 -8.271 -14.151 1.00 1.23 H new ATOM 0 HA MET A 29 -0.818 -8.412 -16.547 1.00 54.42 H new ATOM 0 HB2 MET A 29 -0.504 -9.573 -13.794 1.00 20.51 H new ATOM 0 HB3 MET A 29 0.573 -10.053 -15.090 1.00 20.51 H new ATOM 0 HG2 MET A 29 0.129 -7.209 -14.148 1.00 72.24 H new ATOM 0 HG3 MET A 29 1.483 -8.226 -13.700 1.00 72.24 H new ATOM 0 HE1 MET A 29 2.592 -5.321 -15.892 1.00 1.25 H new ATOM 0 HE2 MET A 29 1.981 -5.825 -14.298 1.00 1.25 H new ATOM 0 HE3 MET A 29 3.519 -6.481 -14.910 1.00 1.25 H new ATOM 455 N ILE A 30 -2.600 -11.020 -15.829 1.00 74.31 N ATOM 456 CA ILE A 30 -3.060 -12.287 -16.402 1.00 64.31 C ATOM 457 C ILE A 30 -3.766 -12.048 -17.726 1.00 52.01 C ATOM 458 O ILE A 30 -3.576 -12.792 -18.700 1.00 30.43 O ATOM 459 CB ILE A 30 -4.021 -13.049 -15.461 1.00 0.45 C ATOM 460 CG1 ILE A 30 -3.377 -13.278 -14.099 1.00 33.22 C ATOM 461 CG2 ILE A 30 -4.428 -14.387 -16.083 1.00 53.34 C ATOM 462 CD1 ILE A 30 -4.248 -14.051 -13.163 1.00 23.54 C ATOM 0 H ILE A 30 -3.112 -10.711 -15.003 1.00 74.31 H new ATOM 0 HA ILE A 30 -2.169 -12.898 -16.550 1.00 64.31 H new ATOM 0 HB ILE A 30 -4.914 -12.439 -15.322 1.00 0.45 H new ATOM 0 HG12 ILE A 30 -2.435 -13.811 -14.234 1.00 33.22 H new ATOM 0 HG13 ILE A 30 -3.137 -12.314 -13.650 1.00 33.22 H new ATOM 0 HG21 ILE A 30 -5.105 -14.911 -15.408 1.00 53.34 H new ATOM 0 HG22 ILE A 30 -4.930 -14.208 -17.034 1.00 53.34 H new ATOM 0 HG23 ILE A 30 -3.539 -14.996 -16.251 1.00 53.34 H new ATOM 0 HD11 ILE A 30 -3.734 -14.181 -12.211 1.00 23.54 H new ATOM 0 HD12 ILE A 30 -5.179 -13.509 -13.001 1.00 23.54 H new ATOM 0 HD13 ILE A 30 -4.467 -15.028 -13.593 1.00 23.54 H new ATOM 474 N ILE A 31 -4.565 -11.015 -17.759 1.00 61.41 N ATOM 475 CA ILE A 31 -5.332 -10.695 -18.920 1.00 12.03 C ATOM 476 C ILE A 31 -4.432 -10.195 -20.055 1.00 10.22 C ATOM 477 O ILE A 31 -4.587 -10.600 -21.213 1.00 22.21 O ATOM 478 CB ILE A 31 -6.410 -9.638 -18.605 1.00 22.32 C ATOM 479 CG1 ILE A 31 -7.281 -10.115 -17.450 1.00 70.04 C ATOM 480 CG2 ILE A 31 -7.276 -9.433 -19.814 1.00 13.43 C ATOM 481 CD1 ILE A 31 -8.386 -9.157 -17.087 1.00 32.54 C ATOM 0 H ILE A 31 -4.698 -10.374 -16.977 1.00 61.41 H new ATOM 0 HA ILE A 31 -5.827 -11.611 -19.242 1.00 12.03 H new ATOM 0 HB ILE A 31 -5.922 -8.702 -18.332 1.00 22.32 H new ATOM 0 HG12 ILE A 31 -7.719 -11.078 -17.711 1.00 70.04 H new ATOM 0 HG13 ILE A 31 -6.651 -10.278 -16.575 1.00 70.04 H new ATOM 0 HG21 ILE A 31 -8.039 -8.686 -19.593 1.00 13.43 H new ATOM 0 HG22 ILE A 31 -6.663 -9.090 -20.647 1.00 13.43 H new ATOM 0 HG23 ILE A 31 -7.757 -10.374 -20.081 1.00 13.43 H new ATOM 0 HD11 ILE A 31 -8.963 -9.565 -16.257 1.00 32.54 H new ATOM 0 HD12 ILE A 31 -7.956 -8.199 -16.794 1.00 32.54 H new ATOM 0 HD13 ILE A 31 -9.040 -9.013 -17.947 1.00 32.54 H new ATOM 493 N THR A 32 -3.476 -9.352 -19.724 1.00 71.40 N ATOM 494 CA THR A 32 -2.623 -8.778 -20.722 1.00 44.14 C ATOM 495 C THR A 32 -1.457 -9.720 -21.037 1.00 42.23 C ATOM 496 O THR A 32 -1.080 -9.894 -22.200 1.00 4.43 O ATOM 497 CB THR A 32 -2.085 -7.407 -20.253 1.00 54.33 C ATOM 498 OG1 THR A 32 -1.345 -7.583 -19.029 1.00 31.52 O ATOM 499 CG2 THR A 32 -3.241 -6.424 -20.003 1.00 43.21 C ATOM 0 H THR A 32 -3.277 -9.054 -18.769 1.00 71.40 H new ATOM 0 HA THR A 32 -3.210 -8.631 -21.629 1.00 44.14 H new ATOM 0 HB THR A 32 -1.440 -7.000 -21.032 1.00 54.33 H new ATOM 0 HG1 THR A 32 -1.970 -7.674 -18.279 1.00 31.52 H new ATOM 0 HG21 THR A 32 -2.839 -5.466 -19.674 1.00 43.21 H new ATOM 0 HG22 THR A 32 -3.805 -6.283 -20.925 1.00 43.21 H new ATOM 0 HG23 THR A 32 -3.900 -6.825 -19.233 1.00 43.21 H new ATOM 507 N LYS A 33 -0.900 -10.323 -19.970 1.00 41.23 N ATOM 508 CA LYS A 33 0.222 -11.250 -19.998 1.00 22.43 C ATOM 509 C LYS A 33 1.479 -10.568 -20.579 1.00 63.43 C ATOM 510 O LYS A 33 2.477 -11.216 -20.885 1.00 64.22 O ATOM 511 CB LYS A 33 -0.145 -12.501 -20.807 1.00 11.25 C ATOM 512 CG LYS A 33 0.823 -13.645 -20.601 1.00 51.44 C ATOM 513 CD LYS A 33 0.577 -14.796 -21.558 1.00 1.12 C ATOM 514 CE LYS A 33 -0.814 -15.385 -21.425 1.00 72.03 C ATOM 515 NZ LYS A 33 -1.003 -16.506 -22.364 1.00 11.24 N ATOM 0 H LYS A 33 -1.245 -10.162 -19.024 1.00 41.23 H new ATOM 0 HA LYS A 33 0.448 -11.554 -18.976 1.00 22.43 H new ATOM 0 HB2 LYS A 33 -1.147 -12.826 -20.528 1.00 11.25 H new ATOM 0 HB3 LYS A 33 -0.176 -12.245 -21.866 1.00 11.25 H new ATOM 0 HG2 LYS A 33 1.842 -13.281 -20.730 1.00 51.44 H new ATOM 0 HG3 LYS A 33 0.741 -14.006 -19.576 1.00 51.44 H new ATOM 0 HD2 LYS A 33 0.723 -14.449 -22.581 1.00 1.12 H new ATOM 0 HD3 LYS A 33 1.316 -15.577 -21.377 1.00 1.12 H new ATOM 0 HE2 LYS A 33 -0.971 -15.731 -20.403 1.00 72.03 H new ATOM 0 HE3 LYS A 33 -1.560 -14.614 -21.618 1.00 72.03 H new ATOM 0 HZ1 LYS A 33 -1.962 -16.893 -22.254 1.00 11.24 H new ATOM 0 HZ2 LYS A 33 -0.876 -16.167 -23.339 1.00 11.24 H new ATOM 0 HZ3 LYS A 33 -0.305 -17.250 -22.162 1.00 11.24 H new ATOM 529 N SER A 34 1.464 -9.254 -20.646 1.00 42.05 N ATOM 530 CA SER A 34 2.521 -8.589 -21.390 1.00 44.41 C ATOM 531 C SER A 34 3.352 -7.639 -20.531 1.00 2.13 C ATOM 532 O SER A 34 4.483 -7.310 -20.886 1.00 51.01 O ATOM 533 CB SER A 34 1.889 -7.853 -22.588 1.00 34.03 C ATOM 534 OG SER A 34 2.854 -7.257 -23.441 1.00 70.55 O ATOM 0 H SER A 34 0.768 -8.645 -20.217 1.00 42.05 H new ATOM 0 HA SER A 34 3.221 -9.347 -21.741 1.00 44.41 H new ATOM 0 HB2 SER A 34 1.287 -8.556 -23.164 1.00 34.03 H new ATOM 0 HB3 SER A 34 1.212 -7.082 -22.219 1.00 34.03 H new ATOM 0 HG SER A 34 2.400 -6.806 -24.183 1.00 70.55 H new ATOM 540 N SER A 35 2.804 -7.214 -19.393 1.00 62.34 N ATOM 541 CA SER A 35 3.493 -6.292 -18.454 1.00 33.25 C ATOM 542 C SER A 35 3.858 -4.912 -19.093 1.00 24.34 C ATOM 543 O SER A 35 4.484 -4.066 -18.458 1.00 54.11 O ATOM 544 CB SER A 35 4.748 -6.962 -17.877 1.00 34.33 C ATOM 545 OG SER A 35 4.426 -8.209 -17.279 1.00 24.14 O ATOM 0 H SER A 35 1.872 -7.491 -19.085 1.00 62.34 H new ATOM 0 HA SER A 35 2.785 -6.081 -17.652 1.00 33.25 H new ATOM 0 HB2 SER A 35 5.482 -7.112 -18.669 1.00 34.33 H new ATOM 0 HB3 SER A 35 5.207 -6.307 -17.137 1.00 34.33 H new ATOM 0 HG SER A 35 3.566 -8.137 -16.815 1.00 24.14 H new ATOM 551 N LYS A 36 3.435 -4.711 -20.318 1.00 55.22 N ATOM 552 CA LYS A 36 3.741 -3.509 -21.089 1.00 41.03 C ATOM 553 C LYS A 36 2.483 -2.928 -21.692 1.00 15.03 C ATOM 554 O LYS A 36 2.540 -2.036 -22.535 1.00 4.42 O ATOM 555 CB LYS A 36 4.755 -3.830 -22.200 1.00 31.42 C ATOM 556 CG LYS A 36 6.180 -4.104 -21.722 1.00 12.14 C ATOM 557 CD LYS A 36 6.832 -2.833 -21.176 1.00 62.34 C ATOM 558 CE LYS A 36 8.278 -3.071 -20.758 1.00 3.22 C ATOM 559 NZ LYS A 36 8.938 -1.821 -20.305 1.00 35.21 N ATOM 0 H LYS A 36 2.858 -5.383 -20.824 1.00 55.22 H new ATOM 0 HA LYS A 36 4.176 -2.772 -20.414 1.00 41.03 H new ATOM 0 HB2 LYS A 36 4.401 -4.700 -22.753 1.00 31.42 H new ATOM 0 HB3 LYS A 36 4.778 -2.995 -22.901 1.00 31.42 H new ATOM 0 HG2 LYS A 36 6.166 -4.871 -20.947 1.00 12.14 H new ATOM 0 HG3 LYS A 36 6.775 -4.496 -22.547 1.00 12.14 H new ATOM 0 HD2 LYS A 36 6.797 -2.052 -21.936 1.00 62.34 H new ATOM 0 HD3 LYS A 36 6.262 -2.471 -20.321 1.00 62.34 H new ATOM 0 HE2 LYS A 36 8.307 -3.808 -19.955 1.00 3.22 H new ATOM 0 HE3 LYS A 36 8.833 -3.491 -21.596 1.00 3.22 H new ATOM 0 HZ1 LYS A 36 9.920 -2.027 -20.030 1.00 35.21 H new ATOM 0 HZ2 LYS A 36 8.934 -1.126 -21.079 1.00 35.21 H new ATOM 0 HZ3 LYS A 36 8.424 -1.433 -19.489 1.00 35.21 H new ATOM 573 N GLY A 37 1.351 -3.423 -21.245 1.00 42.23 N ATOM 574 CA GLY A 37 0.092 -2.919 -21.724 1.00 74.21 C ATOM 575 C GLY A 37 -0.290 -1.672 -20.978 1.00 21.31 C ATOM 576 O GLY A 37 0.500 -1.160 -20.155 1.00 72.22 O ATOM 0 H GLY A 37 1.280 -4.170 -20.554 1.00 42.23 H new ATOM 0 HA2 GLY A 37 0.160 -2.706 -22.791 1.00 74.21 H new ATOM 0 HA3 GLY A 37 -0.682 -3.677 -21.599 1.00 74.21 H new ATOM 580 N ASP A 38 -1.454 -1.172 -21.229 1.00 44.14 N ATOM 581 CA ASP A 38 -1.896 0.010 -20.542 1.00 65.43 C ATOM 582 C ASP A 38 -2.738 -0.410 -19.354 1.00 21.32 C ATOM 583 O ASP A 38 -3.832 -0.986 -19.504 1.00 0.32 O ATOM 584 CB ASP A 38 -2.663 0.920 -21.508 1.00 52.31 C ATOM 585 CG ASP A 38 -3.057 2.263 -20.922 1.00 52.32 C ATOM 586 OD1 ASP A 38 -2.152 3.075 -20.590 1.00 20.51 O ATOM 587 OD2 ASP A 38 -4.259 2.565 -20.878 1.00 12.30 O ATOM 0 H ASP A 38 -2.119 -1.556 -21.901 1.00 44.14 H new ATOM 0 HA ASP A 38 -1.046 0.585 -20.174 1.00 65.43 H new ATOM 0 HB2 ASP A 38 -2.050 1.089 -22.393 1.00 52.31 H new ATOM 0 HB3 ASP A 38 -3.564 0.403 -21.838 1.00 52.31 H new ATOM 592 N PHE A 39 -2.207 -0.159 -18.186 1.00 44.12 N ATOM 593 CA PHE A 39 -2.826 -0.525 -16.948 1.00 42.24 C ATOM 594 C PHE A 39 -3.191 0.725 -16.225 1.00 23.34 C ATOM 595 O PHE A 39 -2.310 1.522 -15.869 1.00 32.03 O ATOM 596 CB PHE A 39 -1.847 -1.326 -16.080 1.00 35.34 C ATOM 597 CG PHE A 39 -1.318 -2.573 -16.720 1.00 24.12 C ATOM 598 CD1 PHE A 39 -2.053 -3.723 -16.705 1.00 64.34 C ATOM 599 CD2 PHE A 39 -0.073 -2.586 -17.330 1.00 32.20 C ATOM 600 CE1 PHE A 39 -1.572 -4.874 -17.282 1.00 40.13 C ATOM 601 CE2 PHE A 39 0.417 -3.731 -17.909 1.00 73.43 C ATOM 602 CZ PHE A 39 -0.333 -4.879 -17.886 1.00 42.12 C ATOM 0 H PHE A 39 -1.312 0.316 -18.071 1.00 44.12 H new ATOM 0 HA PHE A 39 -3.706 -1.136 -17.147 1.00 42.24 H new ATOM 0 HB2 PHE A 39 -1.006 -0.684 -15.818 1.00 35.34 H new ATOM 0 HB3 PHE A 39 -2.345 -1.595 -15.149 1.00 35.34 H new ATOM 0 HD1 PHE A 39 -3.025 -3.729 -16.234 1.00 64.34 H new ATOM 0 HD2 PHE A 39 0.520 -1.683 -17.350 1.00 32.20 H new ATOM 0 HE1 PHE A 39 -2.166 -5.776 -17.262 1.00 40.13 H new ATOM 0 HE2 PHE A 39 1.389 -3.727 -18.380 1.00 73.43 H new ATOM 0 HZ PHE A 39 0.046 -5.783 -18.339 1.00 42.12 H new ATOM 612 N LEU A 40 -4.447 0.917 -15.996 1.00 70.45 N ATOM 613 CA LEU A 40 -4.885 2.125 -15.368 1.00 53.53 C ATOM 614 C LEU A 40 -5.547 1.837 -14.047 1.00 40.00 C ATOM 615 O LEU A 40 -6.523 1.110 -13.976 1.00 44.34 O ATOM 616 CB LEU A 40 -5.835 2.898 -16.275 1.00 41.14 C ATOM 617 CG LEU A 40 -5.304 3.314 -17.653 1.00 34.03 C ATOM 618 CD1 LEU A 40 -6.386 4.023 -18.446 1.00 71.21 C ATOM 619 CD2 LEU A 40 -4.087 4.216 -17.510 1.00 64.12 C ATOM 0 H LEU A 40 -5.189 0.258 -16.232 1.00 70.45 H new ATOM 0 HA LEU A 40 -4.004 2.740 -15.186 1.00 53.53 H new ATOM 0 HB2 LEU A 40 -6.727 2.291 -16.426 1.00 41.14 H new ATOM 0 HB3 LEU A 40 -6.148 3.799 -15.747 1.00 41.14 H new ATOM 0 HG LEU A 40 -5.008 2.413 -18.189 1.00 34.03 H new ATOM 0 HD11 LEU A 40 -5.993 4.311 -19.421 1.00 71.21 H new ATOM 0 HD12 LEU A 40 -7.236 3.354 -18.581 1.00 71.21 H new ATOM 0 HD13 LEU A 40 -6.708 4.914 -17.907 1.00 71.21 H new ATOM 0 HD21 LEU A 40 -3.726 4.500 -18.499 1.00 64.12 H new ATOM 0 HD22 LEU A 40 -4.362 5.112 -16.953 1.00 64.12 H new ATOM 0 HD23 LEU A 40 -3.300 3.684 -16.976 1.00 64.12 H new ATOM 631 N ILE A 41 -5.034 2.426 -13.016 1.00 64.24 N ATOM 632 CA ILE A 41 -5.543 2.240 -11.692 1.00 62.23 C ATOM 633 C ILE A 41 -6.093 3.558 -11.207 1.00 41.14 C ATOM 634 O ILE A 41 -5.447 4.589 -11.366 1.00 31.34 O ATOM 635 CB ILE A 41 -4.436 1.737 -10.736 1.00 20.42 C ATOM 636 CG1 ILE A 41 -3.794 0.478 -11.345 1.00 53.12 C ATOM 637 CG2 ILE A 41 -5.023 1.454 -9.355 1.00 12.30 C ATOM 638 CD1 ILE A 41 -2.810 -0.259 -10.481 1.00 72.34 C ATOM 0 H ILE A 41 -4.237 3.060 -13.069 1.00 64.24 H new ATOM 0 HA ILE A 41 -6.329 1.485 -11.708 1.00 62.23 H new ATOM 0 HB ILE A 41 -3.668 2.500 -10.613 1.00 20.42 H new ATOM 0 HG12 ILE A 41 -4.591 -0.213 -11.619 1.00 53.12 H new ATOM 0 HG13 ILE A 41 -3.290 0.765 -12.268 1.00 53.12 H new ATOM 0 HG21 ILE A 41 -4.235 1.100 -8.690 1.00 12.30 H new ATOM 0 HG22 ILE A 41 -5.457 2.368 -8.950 1.00 12.30 H new ATOM 0 HG23 ILE A 41 -5.797 0.691 -9.438 1.00 12.30 H new ATOM 0 HD11 ILE A 41 -2.429 -1.125 -11.021 1.00 72.34 H new ATOM 0 HD12 ILE A 41 -1.982 0.403 -10.226 1.00 72.34 H new ATOM 0 HD13 ILE A 41 -3.304 -0.590 -9.568 1.00 72.34 H new ATOM 650 N ARG A 42 -7.287 3.541 -10.663 1.00 32.14 N ATOM 651 CA ARG A 42 -7.926 4.735 -10.245 1.00 20.10 C ATOM 652 C ARG A 42 -7.201 5.413 -9.089 1.00 75.21 C ATOM 653 O ARG A 42 -6.949 4.810 -8.039 1.00 42.45 O ATOM 654 CB ARG A 42 -9.361 4.460 -9.917 1.00 2.11 C ATOM 655 CG ARG A 42 -10.168 5.702 -9.906 1.00 1.52 C ATOM 656 CD ARG A 42 -11.615 5.388 -9.909 1.00 3.30 C ATOM 657 NE ARG A 42 -12.131 4.908 -8.625 1.00 51.54 N ATOM 658 CZ ARG A 42 -13.436 4.775 -8.342 1.00 4.22 C ATOM 659 NH1 ARG A 42 -14.361 5.009 -9.275 1.00 43.54 N ATOM 660 NH2 ARG A 42 -13.799 4.401 -7.131 1.00 42.50 N ATOM 0 H ARG A 42 -7.830 2.692 -10.504 1.00 32.14 H new ATOM 0 HA ARG A 42 -7.888 5.441 -11.075 1.00 20.10 H new ATOM 0 HB2 ARG A 42 -9.774 3.764 -10.647 1.00 2.11 H new ATOM 0 HB3 ARG A 42 -9.425 3.976 -8.943 1.00 2.11 H new ATOM 0 HG2 ARG A 42 -9.921 6.294 -9.024 1.00 1.52 H new ATOM 0 HG3 ARG A 42 -9.921 6.309 -10.777 1.00 1.52 H new ATOM 0 HD2 ARG A 42 -12.168 6.282 -10.198 1.00 3.30 H new ATOM 0 HD3 ARG A 42 -11.809 4.633 -10.670 1.00 3.30 H new ATOM 0 HE ARG A 42 -11.457 4.659 -7.901 1.00 51.54 H new ATOM 0 HH11 ARG A 42 -14.079 5.292 -10.213 1.00 43.54 H new ATOM 0 HH12 ARG A 42 -15.350 4.905 -9.050 1.00 43.54 H new ATOM 0 HH21 ARG A 42 -13.091 4.216 -6.421 1.00 42.50 H new ATOM 0 HH22 ARG A 42 -14.788 4.297 -6.904 1.00 42.50 H new ATOM 674 N THR A 43 -6.874 6.646 -9.305 1.00 11.03 N ATOM 675 CA THR A 43 -6.160 7.451 -8.375 1.00 10.45 C ATOM 676 C THR A 43 -7.033 8.659 -8.053 1.00 10.33 C ATOM 677 O THR A 43 -7.902 9.038 -8.861 1.00 3.23 O ATOM 678 CB THR A 43 -4.803 7.919 -8.999 1.00 53.21 C ATOM 679 OG1 THR A 43 -3.934 8.494 -8.016 1.00 14.20 O ATOM 680 CG2 THR A 43 -5.029 8.950 -10.096 1.00 64.41 C ATOM 0 H THR A 43 -7.107 7.136 -10.168 1.00 11.03 H new ATOM 0 HA THR A 43 -5.937 6.886 -7.470 1.00 10.45 H new ATOM 0 HB THR A 43 -4.335 7.027 -9.416 1.00 53.21 H new ATOM 0 HG1 THR A 43 -3.023 8.544 -8.374 1.00 14.20 H new ATOM 0 HG21 THR A 43 -4.069 9.256 -10.511 1.00 64.41 H new ATOM 0 HG22 THR A 43 -5.642 8.514 -10.885 1.00 64.41 H new ATOM 0 HG23 THR A 43 -5.538 9.819 -9.679 1.00 64.41 H new ATOM 688 N LYS A 44 -6.857 9.226 -6.901 1.00 45.50 N ATOM 689 CA LYS A 44 -7.602 10.397 -6.552 1.00 64.21 C ATOM 690 C LYS A 44 -6.690 11.583 -6.566 1.00 4.32 C ATOM 691 O LYS A 44 -5.685 11.624 -5.851 1.00 45.13 O ATOM 692 CB LYS A 44 -8.311 10.293 -5.182 1.00 73.33 C ATOM 693 CG LYS A 44 -9.414 9.237 -5.067 1.00 14.34 C ATOM 694 CD LYS A 44 -8.871 7.821 -5.122 1.00 55.40 C ATOM 695 CE LYS A 44 -9.972 6.790 -5.012 1.00 33.40 C ATOM 696 NZ LYS A 44 -10.720 6.889 -3.737 1.00 73.53 N ATOM 0 H LYS A 44 -6.206 8.899 -6.187 1.00 45.50 H new ATOM 0 HA LYS A 44 -8.391 10.506 -7.296 1.00 64.21 H new ATOM 0 HB2 LYS A 44 -7.558 10.085 -4.422 1.00 73.33 H new ATOM 0 HB3 LYS A 44 -8.743 11.266 -4.945 1.00 73.33 H new ATOM 0 HG2 LYS A 44 -9.953 9.380 -4.130 1.00 14.34 H new ATOM 0 HG3 LYS A 44 -10.133 9.378 -5.874 1.00 14.34 H new ATOM 0 HD2 LYS A 44 -8.330 7.676 -6.057 1.00 55.40 H new ATOM 0 HD3 LYS A 44 -8.155 7.675 -4.313 1.00 55.40 H new ATOM 0 HE2 LYS A 44 -10.664 6.912 -5.845 1.00 33.40 H new ATOM 0 HE3 LYS A 44 -9.541 5.793 -5.100 1.00 33.40 H new ATOM 0 HZ1 LYS A 44 -11.115 5.958 -3.493 1.00 73.53 H new ATOM 0 HZ2 LYS A 44 -10.078 7.201 -2.981 1.00 73.53 H new ATOM 0 HZ3 LYS A 44 -11.493 7.577 -3.841 1.00 73.53 H new ATOM 710 N LYS A 45 -7.009 12.512 -7.407 1.00 70.22 N ATOM 711 CA LYS A 45 -6.272 13.728 -7.537 1.00 50.44 C ATOM 712 C LYS A 45 -7.187 14.874 -7.207 1.00 11.04 C ATOM 713 O LYS A 45 -8.123 15.165 -7.962 1.00 52.52 O ATOM 714 CB LYS A 45 -5.726 13.871 -8.967 1.00 34.41 C ATOM 715 CG LYS A 45 -4.719 12.816 -9.358 1.00 31.44 C ATOM 716 CD LYS A 45 -4.160 13.104 -10.733 1.00 30.54 C ATOM 717 CE LYS A 45 -3.248 14.335 -10.754 1.00 44.03 C ATOM 718 NZ LYS A 45 -2.045 14.168 -9.897 1.00 41.41 N ATOM 0 H LYS A 45 -7.808 12.446 -8.038 1.00 70.22 H new ATOM 0 HA LYS A 45 -5.423 13.724 -6.854 1.00 50.44 H new ATOM 0 HB2 LYS A 45 -6.561 13.836 -9.667 1.00 34.41 H new ATOM 0 HB3 LYS A 45 -5.264 14.853 -9.070 1.00 34.41 H new ATOM 0 HG2 LYS A 45 -3.910 12.788 -8.628 1.00 31.44 H new ATOM 0 HG3 LYS A 45 -5.190 11.833 -9.349 1.00 31.44 H new ATOM 0 HD2 LYS A 45 -3.600 12.236 -11.082 1.00 30.54 H new ATOM 0 HD3 LYS A 45 -4.983 13.255 -11.431 1.00 30.54 H new ATOM 0 HE2 LYS A 45 -2.935 14.534 -11.779 1.00 44.03 H new ATOM 0 HE3 LYS A 45 -3.811 15.206 -10.418 1.00 44.03 H new ATOM 0 HZ1 LYS A 45 -1.359 14.920 -10.111 1.00 41.41 H new ATOM 0 HZ2 LYS A 45 -2.321 14.226 -8.896 1.00 41.41 H new ATOM 0 HZ3 LYS A 45 -1.612 13.241 -10.084 1.00 41.41 H new ATOM 732 N ASP A 46 -6.950 15.490 -6.058 1.00 3.01 N ATOM 733 CA ASP A 46 -7.744 16.631 -5.574 1.00 61.12 C ATOM 734 C ASP A 46 -9.206 16.275 -5.371 1.00 75.51 C ATOM 735 O ASP A 46 -10.093 17.118 -5.517 1.00 11.31 O ATOM 736 CB ASP A 46 -7.590 17.865 -6.470 1.00 74.32 C ATOM 737 CG ASP A 46 -6.213 18.459 -6.388 1.00 73.21 C ATOM 738 OD1 ASP A 46 -5.934 19.205 -5.420 1.00 72.44 O ATOM 739 OD2 ASP A 46 -5.374 18.184 -7.271 1.00 63.31 O ATOM 0 H ASP A 46 -6.198 15.217 -5.425 1.00 3.01 H new ATOM 0 HA ASP A 46 -7.339 16.888 -4.595 1.00 61.12 H new ATOM 0 HB2 ASP A 46 -7.804 17.591 -7.503 1.00 74.32 H new ATOM 0 HB3 ASP A 46 -8.325 18.616 -6.181 1.00 74.32 H new ATOM 744 N GLY A 47 -9.445 15.039 -4.984 1.00 75.43 N ATOM 745 CA GLY A 47 -10.790 14.586 -4.722 1.00 35.13 C ATOM 746 C GLY A 47 -11.477 14.067 -5.953 1.00 24.10 C ATOM 747 O GLY A 47 -12.654 13.711 -5.909 1.00 55.11 O ATOM 0 H GLY A 47 -8.723 14.332 -4.845 1.00 75.43 H new ATOM 0 HA2 GLY A 47 -10.764 13.800 -3.967 1.00 35.13 H new ATOM 0 HA3 GLY A 47 -11.372 15.409 -4.306 1.00 35.13 H new ATOM 751 N LYS A 48 -10.765 14.037 -7.053 1.00 75.34 N ATOM 752 CA LYS A 48 -11.311 13.515 -8.279 1.00 52.13 C ATOM 753 C LYS A 48 -10.699 12.174 -8.556 1.00 24.13 C ATOM 754 O LYS A 48 -9.480 12.010 -8.438 1.00 71.12 O ATOM 755 CB LYS A 48 -10.996 14.441 -9.457 1.00 70.50 C ATOM 756 CG LYS A 48 -11.505 15.860 -9.321 1.00 74.01 C ATOM 757 CD LYS A 48 -13.010 15.912 -9.170 1.00 61.13 C ATOM 758 CE LYS A 48 -13.499 17.345 -9.093 1.00 42.02 C ATOM 759 NZ LYS A 48 -12.890 18.087 -7.961 1.00 20.04 N ATOM 0 H LYS A 48 -9.803 14.369 -7.123 1.00 75.34 H new ATOM 0 HA LYS A 48 -12.392 13.435 -8.167 1.00 52.13 H new ATOM 0 HB2 LYS A 48 -9.915 14.472 -9.594 1.00 70.50 H new ATOM 0 HB3 LYS A 48 -11.419 14.006 -10.362 1.00 70.50 H new ATOM 0 HG2 LYS A 48 -11.038 16.331 -8.456 1.00 74.01 H new ATOM 0 HG3 LYS A 48 -11.209 16.437 -10.197 1.00 74.01 H new ATOM 0 HD2 LYS A 48 -13.481 15.408 -10.014 1.00 61.13 H new ATOM 0 HD3 LYS A 48 -13.308 15.374 -8.270 1.00 61.13 H new ATOM 0 HE2 LYS A 48 -13.267 17.857 -10.027 1.00 42.02 H new ATOM 0 HE3 LYS A 48 -14.584 17.351 -8.987 1.00 42.02 H new ATOM 0 HZ1 LYS A 48 -13.396 18.985 -7.822 1.00 20.04 H new ATOM 0 HZ2 LYS A 48 -12.956 17.515 -7.095 1.00 20.04 H new ATOM 0 HZ3 LYS A 48 -11.890 18.282 -8.171 1.00 20.04 H new ATOM 773 N GLN A 49 -11.507 11.225 -8.911 1.00 51.05 N ATOM 774 CA GLN A 49 -10.988 9.953 -9.280 1.00 3.44 C ATOM 775 C GLN A 49 -10.723 9.850 -10.770 1.00 51.04 C ATOM 776 O GLN A 49 -11.602 10.030 -11.594 1.00 11.42 O ATOM 777 CB GLN A 49 -11.769 8.750 -8.669 1.00 72.14 C ATOM 778 CG GLN A 49 -13.312 8.759 -8.738 1.00 51.54 C ATOM 779 CD GLN A 49 -13.909 8.700 -10.131 1.00 71.20 C ATOM 780 OE1 GLN A 49 -14.129 7.618 -10.679 1.00 12.43 O ATOM 781 NE2 GLN A 49 -14.241 9.825 -10.682 1.00 1.25 N ATOM 0 H GLN A 49 -12.523 11.309 -8.952 1.00 51.05 H new ATOM 0 HA GLN A 49 -10.007 9.875 -8.810 1.00 3.44 H new ATOM 0 HB2 GLN A 49 -11.421 7.843 -9.164 1.00 72.14 H new ATOM 0 HB3 GLN A 49 -11.485 8.669 -7.620 1.00 72.14 H new ATOM 0 HG2 GLN A 49 -13.688 7.911 -8.166 1.00 51.54 H new ATOM 0 HG3 GLN A 49 -13.674 9.662 -8.246 1.00 51.54 H new ATOM 0 HE21 GLN A 49 -14.046 10.704 -10.204 1.00 1.25 H new ATOM 0 HE22 GLN A 49 -14.698 9.831 -11.594 1.00 1.25 H new ATOM 790 N VAL A 50 -9.498 9.601 -11.100 1.00 74.34 N ATOM 791 CA VAL A 50 -9.082 9.493 -12.473 1.00 53.01 C ATOM 792 C VAL A 50 -8.258 8.241 -12.625 1.00 24.34 C ATOM 793 O VAL A 50 -7.921 7.600 -11.631 1.00 13.02 O ATOM 794 CB VAL A 50 -8.257 10.747 -12.955 1.00 43.31 C ATOM 795 CG1 VAL A 50 -9.082 12.024 -12.866 1.00 24.42 C ATOM 796 CG2 VAL A 50 -6.974 10.908 -12.162 1.00 41.43 C ATOM 0 H VAL A 50 -8.746 9.465 -10.424 1.00 74.34 H new ATOM 0 HA VAL A 50 -9.974 9.448 -13.098 1.00 53.01 H new ATOM 0 HB VAL A 50 -7.999 10.571 -13.999 1.00 43.31 H new ATOM 0 HG11 VAL A 50 -8.483 12.869 -13.206 1.00 24.42 H new ATOM 0 HG12 VAL A 50 -9.967 11.930 -13.496 1.00 24.42 H new ATOM 0 HG13 VAL A 50 -9.388 12.188 -11.833 1.00 24.42 H new ATOM 0 HG21 VAL A 50 -6.431 11.782 -12.522 1.00 41.43 H new ATOM 0 HG22 VAL A 50 -7.213 11.038 -11.106 1.00 41.43 H new ATOM 0 HG23 VAL A 50 -6.355 10.020 -12.287 1.00 41.43 H new ATOM 806 N TRP A 51 -7.934 7.887 -13.819 1.00 41.53 N ATOM 807 CA TRP A 51 -7.164 6.713 -14.058 1.00 63.12 C ATOM 808 C TRP A 51 -5.691 7.056 -14.177 1.00 65.41 C ATOM 809 O TRP A 51 -5.300 7.926 -14.967 1.00 53.42 O ATOM 810 CB TRP A 51 -7.668 6.002 -15.298 1.00 2.21 C ATOM 811 CG TRP A 51 -9.056 5.509 -15.178 1.00 51.11 C ATOM 812 CD1 TRP A 51 -10.117 5.990 -15.820 1.00 20.15 C ATOM 813 CD2 TRP A 51 -9.532 4.444 -14.345 1.00 24.30 C ATOM 814 NE1 TRP A 51 -11.241 5.292 -15.478 1.00 10.03 N ATOM 815 CE2 TRP A 51 -10.909 4.337 -14.565 1.00 1.22 C ATOM 816 CE3 TRP A 51 -8.926 3.571 -13.450 1.00 34.43 C ATOM 817 CZ2 TRP A 51 -11.702 3.390 -13.921 1.00 24.22 C ATOM 818 CZ3 TRP A 51 -9.710 2.630 -12.807 1.00 11.02 C ATOM 819 CH2 TRP A 51 -11.083 2.546 -13.046 1.00 45.31 C ATOM 0 H TRP A 51 -8.195 8.402 -14.660 1.00 41.53 H new ATOM 0 HA TRP A 51 -7.278 6.037 -13.211 1.00 63.12 H new ATOM 0 HB2 TRP A 51 -7.606 6.683 -16.147 1.00 2.21 H new ATOM 0 HB3 TRP A 51 -7.011 5.160 -15.516 1.00 2.21 H new ATOM 0 HD1 TRP A 51 -10.093 6.817 -16.515 1.00 20.15 H new ATOM 0 HE1 TRP A 51 -12.177 5.459 -15.847 1.00 10.03 H new ATOM 0 HE3 TRP A 51 -7.864 3.626 -13.260 1.00 34.43 H new ATOM 0 HZ2 TRP A 51 -12.764 3.326 -14.107 1.00 24.22 H new ATOM 0 HZ3 TRP A 51 -9.251 1.947 -12.107 1.00 11.02 H new ATOM 0 HH2 TRP A 51 -11.666 1.799 -12.528 1.00 45.31 H new ATOM 830 N GLU A 52 -4.896 6.382 -13.390 1.00 14.44 N ATOM 831 CA GLU A 52 -3.473 6.593 -13.325 1.00 32.00 C ATOM 832 C GLU A 52 -2.787 5.348 -13.819 1.00 63.25 C ATOM 833 O GLU A 52 -3.138 4.248 -13.409 1.00 64.22 O ATOM 834 CB GLU A 52 -3.091 6.824 -11.866 1.00 72.21 C ATOM 835 CG GLU A 52 -1.632 7.132 -11.593 1.00 24.14 C ATOM 836 CD GLU A 52 -1.366 7.262 -10.105 1.00 64.13 C ATOM 837 OE1 GLU A 52 -1.640 8.331 -9.526 1.00 55.13 O ATOM 838 OE2 GLU A 52 -0.905 6.269 -9.487 1.00 34.32 O ATOM 0 H GLU A 52 -5.228 5.652 -12.760 1.00 14.44 H new ATOM 0 HA GLU A 52 -3.179 7.449 -13.932 1.00 32.00 H new ATOM 0 HB2 GLU A 52 -3.692 7.648 -11.482 1.00 72.21 H new ATOM 0 HB3 GLU A 52 -3.365 5.936 -11.296 1.00 72.21 H new ATOM 0 HG2 GLU A 52 -1.007 6.342 -12.009 1.00 24.14 H new ATOM 0 HG3 GLU A 52 -1.353 8.057 -12.097 1.00 24.14 H new ATOM 845 N ALA A 53 -1.840 5.511 -14.693 1.00 2.52 N ATOM 846 CA ALA A 53 -1.116 4.386 -15.224 1.00 25.30 C ATOM 847 C ALA A 53 -0.264 3.760 -14.142 1.00 31.40 C ATOM 848 O ALA A 53 0.186 4.447 -13.211 1.00 40.31 O ATOM 849 CB ALA A 53 -0.260 4.809 -16.403 1.00 30.22 C ATOM 0 H ALA A 53 -1.546 6.417 -15.058 1.00 2.52 H new ATOM 0 HA ALA A 53 -1.833 3.644 -15.576 1.00 25.30 H new ATOM 0 HB1 ALA A 53 0.279 3.944 -16.790 1.00 30.22 H new ATOM 0 HB2 ALA A 53 -0.897 5.220 -17.186 1.00 30.22 H new ATOM 0 HB3 ALA A 53 0.454 5.567 -16.081 1.00 30.22 H new ATOM 855 N ALA A 54 -0.081 2.471 -14.231 1.00 24.20 N ATOM 856 CA ALA A 54 0.752 1.748 -13.299 1.00 33.22 C ATOM 857 C ALA A 54 2.226 2.151 -13.451 1.00 63.43 C ATOM 858 O ALA A 54 2.583 2.957 -14.319 1.00 14.35 O ATOM 859 CB ALA A 54 0.576 0.256 -13.492 1.00 12.35 C ATOM 0 H ALA A 54 -0.505 1.888 -14.952 1.00 24.20 H new ATOM 0 HA ALA A 54 0.442 2.006 -12.286 1.00 33.22 H new ATOM 0 HB1 ALA A 54 1.209 -0.280 -12.784 1.00 12.35 H new ATOM 0 HB2 ALA A 54 -0.467 -0.012 -13.322 1.00 12.35 H new ATOM 0 HB3 ALA A 54 0.859 -0.015 -14.509 1.00 12.35 H new ATOM 865 N SER A 55 3.068 1.584 -12.642 1.00 2.12 N ATOM 866 CA SER A 55 4.450 1.936 -12.637 1.00 74.14 C ATOM 867 C SER A 55 5.256 0.689 -12.837 1.00 42.32 C ATOM 868 O SER A 55 4.767 -0.406 -12.541 1.00 53.15 O ATOM 869 CB SER A 55 4.820 2.612 -11.309 1.00 15.34 C ATOM 870 OG SER A 55 6.190 2.993 -11.276 1.00 2.04 O ATOM 0 H SER A 55 2.813 0.863 -11.967 1.00 2.12 H new ATOM 0 HA SER A 55 4.660 2.642 -13.441 1.00 74.14 H new ATOM 0 HB2 SER A 55 4.194 3.492 -11.162 1.00 15.34 H new ATOM 0 HB3 SER A 55 4.612 1.931 -10.484 1.00 15.34 H new ATOM 0 HG SER A 55 6.390 3.421 -10.418 1.00 2.04 H new ATOM 876 N LYS A 56 6.478 0.848 -13.323 1.00 61.12 N ATOM 877 CA LYS A 56 7.368 -0.269 -13.596 1.00 72.12 C ATOM 878 C LYS A 56 7.508 -1.176 -12.379 1.00 31.21 C ATOM 879 O LYS A 56 7.370 -2.376 -12.489 1.00 1.21 O ATOM 880 CB LYS A 56 8.773 0.196 -14.121 1.00 53.12 C ATOM 881 CG LYS A 56 9.664 1.013 -13.143 1.00 34.10 C ATOM 882 CD LYS A 56 9.080 2.379 -12.780 1.00 24.45 C ATOM 883 CE LYS A 56 9.983 3.129 -11.810 1.00 32.40 C ATOM 884 NZ LYS A 56 9.426 4.452 -11.433 1.00 63.42 N ATOM 0 H LYS A 56 6.881 1.759 -13.540 1.00 61.12 H new ATOM 0 HA LYS A 56 6.907 -0.846 -14.398 1.00 72.12 H new ATOM 0 HB2 LYS A 56 9.330 -0.690 -14.425 1.00 53.12 H new ATOM 0 HB3 LYS A 56 8.617 0.797 -15.017 1.00 53.12 H new ATOM 0 HG2 LYS A 56 9.811 0.436 -12.230 1.00 34.10 H new ATOM 0 HG3 LYS A 56 10.647 1.155 -13.592 1.00 34.10 H new ATOM 0 HD2 LYS A 56 8.945 2.971 -13.685 1.00 24.45 H new ATOM 0 HD3 LYS A 56 8.094 2.248 -12.334 1.00 24.45 H new ATOM 0 HE2 LYS A 56 10.127 2.528 -10.912 1.00 32.40 H new ATOM 0 HE3 LYS A 56 10.965 3.266 -12.263 1.00 32.40 H new ATOM 0 HZ1 LYS A 56 10.074 4.926 -10.772 1.00 63.42 H new ATOM 0 HZ2 LYS A 56 9.313 5.037 -12.286 1.00 63.42 H new ATOM 0 HZ3 LYS A 56 8.500 4.322 -10.977 1.00 63.42 H new ATOM 898 N THR A 57 7.710 -0.576 -11.220 1.00 33.21 N ATOM 899 CA THR A 57 7.894 -1.301 -9.982 1.00 42.14 C ATOM 900 C THR A 57 6.627 -2.114 -9.638 1.00 10.03 C ATOM 901 O THR A 57 6.705 -3.286 -9.258 1.00 51.00 O ATOM 902 CB THR A 57 8.197 -0.299 -8.860 1.00 71.13 C ATOM 903 OG1 THR A 57 9.239 0.586 -9.314 1.00 12.14 O ATOM 904 CG2 THR A 57 8.666 -1.017 -7.601 1.00 50.32 C ATOM 0 H THR A 57 7.751 0.438 -11.114 1.00 33.21 H new ATOM 0 HA THR A 57 8.726 -1.997 -10.091 1.00 42.14 H new ATOM 0 HB THR A 57 7.290 0.256 -8.621 1.00 71.13 H new ATOM 0 HG1 THR A 57 9.446 1.236 -8.610 1.00 12.14 H new ATOM 0 HG21 THR A 57 8.874 -0.285 -6.821 1.00 50.32 H new ATOM 0 HG22 THR A 57 7.887 -1.699 -7.260 1.00 50.32 H new ATOM 0 HG23 THR A 57 9.572 -1.581 -7.820 1.00 50.32 H new ATOM 912 N ALA A 58 5.472 -1.492 -9.829 1.00 70.11 N ATOM 913 CA ALA A 58 4.193 -2.117 -9.536 1.00 41.13 C ATOM 914 C ALA A 58 3.912 -3.250 -10.507 1.00 3.03 C ATOM 915 O ALA A 58 3.354 -4.293 -10.136 1.00 1.32 O ATOM 916 CB ALA A 58 3.082 -1.085 -9.590 1.00 25.25 C ATOM 0 H ALA A 58 5.397 -0.541 -10.191 1.00 70.11 H new ATOM 0 HA ALA A 58 4.236 -2.535 -8.530 1.00 41.13 H new ATOM 0 HB1 ALA A 58 2.129 -1.565 -9.369 1.00 25.25 H new ATOM 0 HB2 ALA A 58 3.275 -0.304 -8.854 1.00 25.25 H new ATOM 0 HB3 ALA A 58 3.044 -0.643 -10.586 1.00 25.25 H new ATOM 922 N LEU A 59 4.303 -3.054 -11.742 1.00 54.41 N ATOM 923 CA LEU A 59 4.122 -4.047 -12.755 1.00 33.32 C ATOM 924 C LEU A 59 5.059 -5.225 -12.514 1.00 50.30 C ATOM 925 O LEU A 59 4.694 -6.373 -12.736 1.00 31.31 O ATOM 926 CB LEU A 59 4.345 -3.459 -14.136 1.00 65.24 C ATOM 927 CG LEU A 59 3.419 -2.319 -14.570 1.00 25.43 C ATOM 928 CD1 LEU A 59 3.887 -1.738 -15.892 1.00 51.11 C ATOM 929 CD2 LEU A 59 2.004 -2.816 -14.718 1.00 11.32 C ATOM 0 H LEU A 59 4.755 -2.199 -12.067 1.00 54.41 H new ATOM 0 HA LEU A 59 3.094 -4.405 -12.705 1.00 33.32 H new ATOM 0 HB2 LEU A 59 5.372 -3.098 -14.187 1.00 65.24 H new ATOM 0 HB3 LEU A 59 4.253 -4.264 -14.865 1.00 65.24 H new ATOM 0 HG LEU A 59 3.448 -1.545 -13.803 1.00 25.43 H new ATOM 0 HD11 LEU A 59 3.221 -0.928 -16.190 1.00 51.11 H new ATOM 0 HD12 LEU A 59 4.900 -1.352 -15.781 1.00 51.11 H new ATOM 0 HD13 LEU A 59 3.877 -2.516 -16.655 1.00 51.11 H new ATOM 0 HD21 LEU A 59 1.360 -1.993 -15.027 1.00 11.32 H new ATOM 0 HD22 LEU A 59 1.972 -3.604 -15.470 1.00 11.32 H new ATOM 0 HD23 LEU A 59 1.655 -3.211 -13.764 1.00 11.32 H new ATOM 941 N LYS A 60 6.264 -4.937 -12.040 1.00 21.44 N ATOM 942 CA LYS A 60 7.205 -5.992 -11.718 1.00 75.50 C ATOM 943 C LYS A 60 6.707 -6.791 -10.525 1.00 74.24 C ATOM 944 O LYS A 60 6.874 -7.986 -10.479 1.00 75.44 O ATOM 945 CB LYS A 60 8.623 -5.450 -11.444 1.00 54.32 C ATOM 946 CG LYS A 60 9.265 -4.684 -12.607 1.00 42.53 C ATOM 947 CD LYS A 60 9.359 -5.509 -13.889 1.00 4.13 C ATOM 948 CE LYS A 60 10.211 -6.754 -13.707 1.00 12.14 C ATOM 949 NZ LYS A 60 10.315 -7.538 -14.953 1.00 13.23 N ATOM 0 H LYS A 60 6.607 -3.991 -11.873 1.00 21.44 H new ATOM 0 HA LYS A 60 7.273 -6.643 -12.590 1.00 75.50 H new ATOM 0 HB2 LYS A 60 8.582 -4.793 -10.576 1.00 54.32 H new ATOM 0 HB3 LYS A 60 9.270 -6.287 -11.180 1.00 54.32 H new ATOM 0 HG2 LYS A 60 8.685 -3.782 -12.804 1.00 42.53 H new ATOM 0 HG3 LYS A 60 10.265 -4.363 -12.315 1.00 42.53 H new ATOM 0 HD2 LYS A 60 8.358 -5.799 -14.207 1.00 4.13 H new ATOM 0 HD3 LYS A 60 9.781 -4.895 -14.685 1.00 4.13 H new ATOM 0 HE2 LYS A 60 11.209 -6.466 -13.375 1.00 12.14 H new ATOM 0 HE3 LYS A 60 9.781 -7.376 -12.922 1.00 12.14 H new ATOM 0 HZ1 LYS A 60 10.904 -8.379 -14.786 1.00 13.23 H new ATOM 0 HZ2 LYS A 60 9.366 -7.835 -15.256 1.00 13.23 H new ATOM 0 HZ3 LYS A 60 10.749 -6.953 -15.696 1.00 13.23 H new ATOM 963 N LYS A 61 6.068 -6.110 -9.581 1.00 20.15 N ATOM 964 CA LYS A 61 5.523 -6.738 -8.401 1.00 11.32 C ATOM 965 C LYS A 61 4.361 -7.674 -8.781 1.00 35.15 C ATOM 966 O LYS A 61 4.302 -8.832 -8.340 1.00 64.33 O ATOM 967 CB LYS A 61 5.111 -5.613 -7.390 1.00 12.42 C ATOM 968 CG LYS A 61 4.411 -6.032 -6.084 1.00 34.41 C ATOM 969 CD LYS A 61 2.987 -6.497 -6.327 1.00 14.40 C ATOM 970 CE LYS A 61 2.259 -6.838 -5.041 1.00 55.42 C ATOM 971 NZ LYS A 61 2.941 -7.892 -4.259 1.00 14.22 N ATOM 0 H LYS A 61 5.917 -5.102 -9.620 1.00 20.15 H new ATOM 0 HA LYS A 61 6.266 -7.370 -7.914 1.00 11.32 H new ATOM 0 HB2 LYS A 61 6.011 -5.059 -7.123 1.00 12.42 H new ATOM 0 HB3 LYS A 61 4.453 -4.919 -7.913 1.00 12.42 H new ATOM 0 HG2 LYS A 61 4.978 -6.833 -5.609 1.00 34.41 H new ATOM 0 HG3 LYS A 61 4.405 -5.191 -5.390 1.00 34.41 H new ATOM 0 HD2 LYS A 61 2.439 -5.717 -6.855 1.00 14.40 H new ATOM 0 HD3 LYS A 61 3.000 -7.372 -6.976 1.00 14.40 H new ATOM 0 HE2 LYS A 61 2.169 -5.940 -4.430 1.00 55.42 H new ATOM 0 HE3 LYS A 61 1.247 -7.165 -5.278 1.00 55.42 H new ATOM 0 HZ1 LYS A 61 2.343 -8.169 -3.454 1.00 14.22 H new ATOM 0 HZ2 LYS A 61 3.110 -8.720 -4.866 1.00 14.22 H new ATOM 0 HZ3 LYS A 61 3.850 -7.529 -3.906 1.00 14.22 H new ATOM 985 N SER A 62 3.457 -7.176 -9.600 1.00 3.13 N ATOM 986 CA SER A 62 2.311 -7.944 -10.027 1.00 30.05 C ATOM 987 C SER A 62 2.715 -9.129 -10.911 1.00 5.52 C ATOM 988 O SER A 62 2.167 -10.231 -10.775 1.00 31.20 O ATOM 989 CB SER A 62 1.296 -7.025 -10.713 1.00 21.12 C ATOM 990 OG SER A 62 1.916 -6.220 -11.696 1.00 65.23 O ATOM 0 H SER A 62 3.498 -6.232 -9.985 1.00 3.13 H new ATOM 0 HA SER A 62 1.835 -8.377 -9.147 1.00 30.05 H new ATOM 0 HB2 SER A 62 0.511 -7.625 -11.173 1.00 21.12 H new ATOM 0 HB3 SER A 62 0.816 -6.389 -9.969 1.00 21.12 H new ATOM 0 HG SER A 62 2.821 -6.554 -11.869 1.00 65.23 H new ATOM 996 N TRP A 63 3.689 -8.915 -11.787 1.00 32.03 N ATOM 997 CA TRP A 63 4.153 -9.959 -12.651 1.00 0.14 C ATOM 998 C TRP A 63 5.040 -10.958 -11.892 1.00 50.34 C ATOM 999 O TRP A 63 5.105 -12.123 -12.241 1.00 51.53 O ATOM 1000 CB TRP A 63 4.862 -9.381 -13.869 1.00 65.10 C ATOM 1001 CG TRP A 63 5.274 -10.418 -14.844 1.00 64.21 C ATOM 1002 CD1 TRP A 63 6.509 -10.933 -14.998 1.00 41.31 C ATOM 1003 CD2 TRP A 63 4.427 -11.094 -15.776 1.00 0.13 C ATOM 1004 NE1 TRP A 63 6.502 -11.880 -15.996 1.00 3.31 N ATOM 1005 CE2 TRP A 63 5.224 -12.001 -16.480 1.00 42.25 C ATOM 1006 CE3 TRP A 63 3.069 -11.011 -16.078 1.00 30.11 C ATOM 1007 CZ2 TRP A 63 4.710 -12.825 -17.474 1.00 65.54 C ATOM 1008 CZ3 TRP A 63 2.553 -11.830 -17.061 1.00 73.41 C ATOM 1009 CH2 TRP A 63 3.374 -12.729 -17.747 1.00 75.23 C ATOM 0 H TRP A 63 4.165 -8.021 -11.907 1.00 32.03 H new ATOM 0 HA TRP A 63 3.285 -10.512 -13.010 1.00 0.14 H new ATOM 0 HB2 TRP A 63 4.202 -8.668 -14.362 1.00 65.10 H new ATOM 0 HB3 TRP A 63 5.742 -8.827 -13.542 1.00 65.10 H new ATOM 0 HD1 TRP A 63 7.377 -10.645 -14.423 1.00 41.31 H new ATOM 0 HE1 TRP A 63 7.313 -12.405 -16.322 1.00 3.31 H new ATOM 0 HE3 TRP A 63 2.431 -10.317 -15.551 1.00 30.11 H new ATOM 0 HZ2 TRP A 63 5.343 -13.516 -18.011 1.00 65.54 H new ATOM 0 HZ3 TRP A 63 1.502 -11.776 -17.303 1.00 73.41 H new ATOM 0 HH2 TRP A 63 2.944 -13.362 -18.509 1.00 75.23 H new ATOM 1020 N LYS A 64 5.716 -10.495 -10.857 1.00 13.01 N ATOM 1021 CA LYS A 64 6.551 -11.372 -10.033 1.00 20.51 C ATOM 1022 C LYS A 64 5.683 -12.446 -9.389 1.00 12.24 C ATOM 1023 O LYS A 64 6.083 -13.605 -9.278 1.00 11.42 O ATOM 1024 CB LYS A 64 7.267 -10.558 -8.959 1.00 41.15 C ATOM 1025 CG LYS A 64 8.220 -11.341 -8.080 1.00 11.12 C ATOM 1026 CD LYS A 64 8.888 -10.410 -7.100 1.00 64.22 C ATOM 1027 CE LYS A 64 9.892 -11.120 -6.219 1.00 34.23 C ATOM 1028 NZ LYS A 64 10.547 -10.172 -5.288 1.00 3.21 N ATOM 0 H LYS A 64 5.708 -9.519 -10.561 1.00 13.01 H new ATOM 0 HA LYS A 64 7.301 -11.850 -10.664 1.00 20.51 H new ATOM 0 HB2 LYS A 64 7.823 -9.756 -9.445 1.00 41.15 H new ATOM 0 HB3 LYS A 64 6.517 -10.087 -8.324 1.00 41.15 H new ATOM 0 HG2 LYS A 64 7.679 -12.121 -7.544 1.00 11.12 H new ATOM 0 HG3 LYS A 64 8.971 -11.838 -8.694 1.00 11.12 H new ATOM 0 HD2 LYS A 64 9.390 -9.611 -7.647 1.00 64.22 H new ATOM 0 HD3 LYS A 64 8.129 -9.940 -6.475 1.00 64.22 H new ATOM 0 HE2 LYS A 64 9.392 -11.905 -5.652 1.00 34.23 H new ATOM 0 HE3 LYS A 64 10.646 -11.605 -6.839 1.00 34.23 H new ATOM 0 HZ1 LYS A 64 11.231 -10.684 -4.695 1.00 3.21 H new ATOM 0 HZ2 LYS A 64 11.043 -9.437 -5.832 1.00 3.21 H new ATOM 0 HZ3 LYS A 64 9.828 -9.728 -4.682 1.00 3.21 H new ATOM 1042 N ARG A 65 4.484 -12.044 -8.989 1.00 13.31 N ATOM 1043 CA ARG A 65 3.493 -12.946 -8.412 1.00 54.44 C ATOM 1044 C ARG A 65 3.131 -14.000 -9.469 1.00 64.34 C ATOM 1045 O ARG A 65 2.994 -15.175 -9.165 1.00 3.42 O ATOM 1046 CB ARG A 65 2.243 -12.134 -8.077 1.00 1.21 C ATOM 1047 CG ARG A 65 1.114 -12.845 -7.311 1.00 34.02 C ATOM 1048 CD ARG A 65 1.431 -13.079 -5.860 1.00 71.13 C ATOM 1049 NE ARG A 65 2.492 -14.058 -5.642 1.00 5.31 N ATOM 1050 CZ ARG A 65 3.367 -14.020 -4.629 1.00 61.44 C ATOM 1051 NH1 ARG A 65 3.357 -13.004 -3.758 1.00 13.20 N ATOM 1052 NH2 ARG A 65 4.247 -15.001 -4.488 1.00 71.33 N ATOM 0 H ARG A 65 4.168 -11.076 -9.056 1.00 13.31 H new ATOM 0 HA ARG A 65 3.882 -13.427 -7.515 1.00 54.44 H new ATOM 0 HB2 ARG A 65 2.552 -11.268 -7.492 1.00 1.21 H new ATOM 0 HB3 ARG A 65 1.828 -11.756 -9.011 1.00 1.21 H new ATOM 0 HG2 ARG A 65 0.204 -12.249 -7.385 1.00 34.02 H new ATOM 0 HG3 ARG A 65 0.908 -13.803 -7.789 1.00 34.02 H new ATOM 0 HD2 ARG A 65 1.722 -12.133 -5.404 1.00 71.13 H new ATOM 0 HD3 ARG A 65 0.528 -13.415 -5.349 1.00 71.13 H new ATOM 0 HE ARG A 65 2.572 -14.826 -6.309 1.00 5.31 H new ATOM 0 HH11 ARG A 65 2.679 -12.249 -3.862 1.00 13.20 H new ATOM 0 HH12 ARG A 65 4.028 -12.984 -2.990 1.00 13.20 H new ATOM 0 HH21 ARG A 65 4.255 -15.778 -5.149 1.00 71.33 H new ATOM 0 HH22 ARG A 65 4.917 -14.979 -3.719 1.00 71.33 H new ATOM 1066 N TYR A 66 3.006 -13.537 -10.714 1.00 31.12 N ATOM 1067 CA TYR A 66 2.678 -14.367 -11.871 1.00 2.42 C ATOM 1068 C TYR A 66 3.778 -15.413 -12.064 1.00 41.03 C ATOM 1069 O TYR A 66 3.489 -16.594 -12.200 1.00 10.34 O ATOM 1070 CB TYR A 66 2.589 -13.468 -13.106 1.00 22.45 C ATOM 1071 CG TYR A 66 1.982 -14.108 -14.318 1.00 23.35 C ATOM 1072 CD1 TYR A 66 2.654 -15.072 -15.049 1.00 30.05 C ATOM 1073 CD2 TYR A 66 0.735 -13.724 -14.743 1.00 51.54 C ATOM 1074 CE1 TYR A 66 2.089 -15.633 -16.169 1.00 65.20 C ATOM 1075 CE2 TYR A 66 0.162 -14.275 -15.852 1.00 0.25 C ATOM 1076 CZ TYR A 66 0.837 -15.231 -16.570 1.00 3.32 C ATOM 1077 OH TYR A 66 0.261 -15.787 -17.696 1.00 74.12 O ATOM 0 H TYR A 66 3.133 -12.553 -10.950 1.00 31.12 H new ATOM 0 HA TYR A 66 1.726 -14.875 -11.719 1.00 2.42 H new ATOM 0 HB2 TYR A 66 2.005 -12.584 -12.851 1.00 22.45 H new ATOM 0 HB3 TYR A 66 3.592 -13.125 -13.360 1.00 22.45 H new ATOM 0 HD1 TYR A 66 3.638 -15.388 -14.734 1.00 30.05 H new ATOM 0 HD2 TYR A 66 0.196 -12.970 -14.188 1.00 51.54 H new ATOM 0 HE1 TYR A 66 2.625 -16.384 -16.730 1.00 65.20 H new ATOM 0 HE2 TYR A 66 -0.822 -13.959 -16.165 1.00 0.25 H new ATOM 0 HH TYR A 66 -0.625 -15.393 -17.839 1.00 74.12 H new ATOM 1087 N GLU A 67 5.042 -14.950 -12.071 1.00 42.41 N ATOM 1088 CA GLU A 67 6.231 -15.828 -12.179 1.00 4.13 C ATOM 1089 C GLU A 67 6.184 -16.888 -11.121 1.00 61.03 C ATOM 1090 O GLU A 67 6.316 -18.074 -11.408 1.00 24.11 O ATOM 1091 CB GLU A 67 7.491 -15.006 -11.964 1.00 43.44 C ATOM 1092 CG GLU A 67 7.701 -13.931 -12.982 1.00 25.21 C ATOM 1093 CD GLU A 67 8.062 -14.479 -14.349 1.00 50.23 C ATOM 1094 OE1 GLU A 67 9.270 -14.722 -14.596 1.00 2.34 O ATOM 1095 OE2 GLU A 67 7.188 -14.669 -15.190 1.00 60.04 O ATOM 0 H GLU A 67 5.272 -13.959 -12.002 1.00 42.41 H new ATOM 0 HA GLU A 67 6.236 -16.286 -13.168 1.00 4.13 H new ATOM 0 HB2 GLU A 67 7.450 -14.551 -10.974 1.00 43.44 H new ATOM 0 HB3 GLU A 67 8.353 -15.673 -11.973 1.00 43.44 H new ATOM 0 HG2 GLU A 67 6.794 -13.332 -13.064 1.00 25.21 H new ATOM 0 HG3 GLU A 67 8.494 -13.265 -12.642 1.00 25.21 H new ATOM 1102 N GLN A 68 5.970 -16.448 -9.905 1.00 14.44 N ATOM 1103 CA GLN A 68 5.873 -17.343 -8.758 1.00 51.33 C ATOM 1104 C GLN A 68 4.777 -18.391 -8.965 1.00 13.25 C ATOM 1105 O GLN A 68 5.014 -19.589 -8.789 1.00 53.54 O ATOM 1106 CB GLN A 68 5.643 -16.549 -7.468 1.00 54.42 C ATOM 1107 CG GLN A 68 6.821 -15.681 -7.049 1.00 32.42 C ATOM 1108 CD GLN A 68 8.066 -16.491 -6.741 1.00 52.43 C ATOM 1109 OE1 GLN A 68 8.894 -16.756 -7.618 1.00 53.04 O ATOM 1110 NE2 GLN A 68 8.209 -16.895 -5.510 1.00 5.05 N ATOM 0 H GLN A 68 5.857 -15.461 -9.674 1.00 14.44 H new ATOM 0 HA GLN A 68 6.821 -17.873 -8.663 1.00 51.33 H new ATOM 0 HB2 GLN A 68 4.767 -15.914 -7.597 1.00 54.42 H new ATOM 0 HB3 GLN A 68 5.415 -17.246 -6.662 1.00 54.42 H new ATOM 0 HG2 GLN A 68 7.043 -14.969 -7.844 1.00 32.42 H new ATOM 0 HG3 GLN A 68 6.544 -15.100 -6.169 1.00 32.42 H new ATOM 0 HE21 GLN A 68 7.506 -16.658 -4.810 1.00 5.05 H new ATOM 0 HE22 GLN A 68 9.024 -17.448 -5.246 1.00 5.05 H new ATOM 1119 N GLU A 69 3.608 -17.940 -9.370 1.00 11.11 N ATOM 1120 CA GLU A 69 2.481 -18.818 -9.631 1.00 62.30 C ATOM 1121 C GLU A 69 2.728 -19.771 -10.783 1.00 0.33 C ATOM 1122 O GLU A 69 2.584 -20.981 -10.623 1.00 64.32 O ATOM 1123 CB GLU A 69 1.208 -18.017 -9.874 1.00 43.42 C ATOM 1124 CG GLU A 69 0.660 -17.358 -8.634 1.00 42.12 C ATOM 1125 CD GLU A 69 0.160 -18.372 -7.640 1.00 32.15 C ATOM 1126 OE1 GLU A 69 0.964 -18.888 -6.845 1.00 72.24 O ATOM 1127 OE2 GLU A 69 -1.051 -18.683 -7.650 1.00 71.13 O ATOM 0 H GLU A 69 3.410 -16.952 -9.529 1.00 11.11 H new ATOM 0 HA GLU A 69 2.356 -19.425 -8.735 1.00 62.30 H new ATOM 0 HB2 GLU A 69 1.409 -17.251 -10.623 1.00 43.42 H new ATOM 0 HB3 GLU A 69 0.447 -18.678 -10.290 1.00 43.42 H new ATOM 0 HG2 GLU A 69 1.437 -16.748 -8.172 1.00 42.12 H new ATOM 0 HG3 GLU A 69 -0.153 -16.685 -8.908 1.00 42.12 H new