USER MOD reduce.3.24.130724 H: found=0, std=0, add=957, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 957 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 85 THR OG1 : rot 7:sc= 0.49 USER MOD Set 1.2: A 89 GLN :FLIP amide:sc= 0.603 F(o=-0.47,f=1.1) USER MOD Set 2.1: A 3 SER OG : rot -168:sc= 0.166 USER MOD Set 2.2: A 78 GLN :FLIP amide:sc= 0.165 F(o=-0.62,f=0.33) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.02 (180deg=0.677) USER MOD Single : A 4 LYS NZ :NH3+ -157:sc= -2.03! (180deg=-2.88!) USER MOD Single : A 10 SER OG : rot -170:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -52:sc= 0.0177 USER MOD Single : A 15 THR OG1 : rot 173:sc= 0.0504 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 141:sc= 1.31 (180deg=-0.000813) USER MOD Single : A 31 TYR OH : rot -139:sc= 1.42 USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0291) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -137:sc= -0.408 (180deg=-2.4!) USER MOD Single : A 45 LYS NZ :NH3+ 160:sc= 0.465 (180deg=-0.0189) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.0246 F(o=-1.3!,f=-0.025) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.256 K(o=-0.26,f=-5.4!) USER MOD Single : A 58 LYS NZ :NH3+ -158:sc= 1.72 (180deg=1.2) USER MOD Single : A 60 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00836) USER MOD Single : A 67 LYS NZ :NH3+ -178:sc= 0.646 (180deg=0.641) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -120:sc= 0.00398 (180deg=0.00186) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= 0.062 X(o=0.062,f=-0.1) USER MOD Single : A 98 LYS NZ :NH3+ -149:sc= 0.771 (180deg=0.252) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 168:sc= -0.0272 (180deg=-0.209) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 HIS : no HD1:sc=-0.000863 X(o=-0.00086,f=-0.00086) USER MOD Single : A 106 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc=-0.000344 X(o=-0.00034,f=-0.36) USER MOD Single : A 110 HIS : no HD1:sc=-0.00803 X(o=-0.008,f=-0.017) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.211 14.234 -16.891 1.00 55.12 N ATOM 2 CA MET A 1 0.918 13.277 -16.744 1.00 61.20 C ATOM 3 C MET A 1 1.418 13.244 -15.288 1.00 5.55 C ATOM 4 O MET A 1 2.544 12.803 -15.021 1.00 34.13 O ATOM 5 CB MET A 1 2.071 13.625 -17.737 1.00 22.21 C ATOM 6 CG MET A 1 1.686 13.484 -19.220 1.00 71.30 C ATOM 7 SD MET A 1 0.416 14.669 -19.726 1.00 5.44 S ATOM 8 CE MET A 1 0.132 14.196 -21.436 1.00 43.21 C ATOM 0 H1 MET A 1 -0.356 14.448 -17.898 1.00 55.12 H new ATOM 0 H2 MET A 1 -1.077 13.812 -16.498 1.00 55.12 H new ATOM 0 H3 MET A 1 0.009 15.112 -16.379 1.00 55.12 H new ATOM 0 HA MET A 1 0.558 12.279 -16.993 1.00 61.20 H new ATOM 0 HB2 MET A 1 2.398 14.648 -17.553 1.00 22.21 H new ATOM 0 HB3 MET A 1 2.922 12.976 -17.530 1.00 22.21 H new ATOM 0 HG2 MET A 1 2.574 13.623 -19.837 1.00 71.30 H new ATOM 0 HG3 MET A 1 1.326 12.471 -19.403 1.00 71.30 H new ATOM 0 HE1 MET A 1 -0.628 14.844 -21.871 1.00 43.21 H new ATOM 0 HE2 MET A 1 1.060 14.295 -22.000 1.00 43.21 H new ATOM 0 HE3 MET A 1 -0.208 13.161 -21.476 1.00 43.21 H new ATOM 20 N GLY A 2 0.557 13.669 -14.336 1.00 43.02 N ATOM 21 CA GLY A 2 0.886 13.623 -12.910 1.00 54.00 C ATOM 22 C GLY A 2 0.560 12.266 -12.302 1.00 24.43 C ATOM 23 O GLY A 2 -0.217 12.172 -11.347 1.00 43.45 O ATOM 0 H GLY A 2 -0.369 14.046 -14.539 1.00 43.02 H new ATOM 0 HA2 GLY A 2 1.946 13.838 -12.774 1.00 54.00 H new ATOM 0 HA3 GLY A 2 0.333 14.400 -12.383 1.00 54.00 H new ATOM 27 N SER A 3 1.145 11.209 -12.885 1.00 44.52 N ATOM 28 CA SER A 3 0.932 9.833 -12.436 1.00 53.44 C ATOM 29 C SER A 3 1.783 9.581 -11.180 1.00 52.43 C ATOM 30 O SER A 3 2.972 9.924 -11.162 1.00 25.24 O ATOM 31 CB SER A 3 1.313 8.858 -13.575 1.00 12.03 C ATOM 32 OG SER A 3 0.746 9.263 -14.812 1.00 32.41 O ATOM 0 H SER A 3 1.778 11.288 -13.681 1.00 44.52 H new ATOM 0 HA SER A 3 -0.116 9.671 -12.185 1.00 53.44 H new ATOM 0 HB2 SER A 3 2.398 8.810 -13.668 1.00 12.03 H new ATOM 0 HB3 SER A 3 0.970 7.854 -13.327 1.00 12.03 H new ATOM 0 HG SER A 3 0.843 8.541 -15.468 1.00 32.41 H new ATOM 38 N LYS A 4 1.173 9.006 -10.136 1.00 63.25 N ATOM 39 CA LYS A 4 1.846 8.726 -8.859 1.00 23.34 C ATOM 40 C LYS A 4 1.009 7.738 -8.044 1.00 24.55 C ATOM 41 O LYS A 4 -0.207 7.905 -7.912 1.00 61.34 O ATOM 42 CB LYS A 4 2.089 10.047 -8.066 1.00 5.13 C ATOM 43 CG LYS A 4 2.508 9.877 -6.581 1.00 72.04 C ATOM 44 CD LYS A 4 2.892 11.218 -5.899 1.00 51.21 C ATOM 45 CE LYS A 4 1.919 12.376 -6.220 1.00 62.41 C ATOM 46 NZ LYS A 4 0.488 12.037 -5.966 1.00 42.42 N ATOM 0 H LYS A 4 0.194 8.720 -10.152 1.00 63.25 H new ATOM 0 HA LYS A 4 2.819 8.277 -9.057 1.00 23.34 H new ATOM 0 HB2 LYS A 4 2.862 10.619 -8.579 1.00 5.13 H new ATOM 0 HB3 LYS A 4 1.176 10.642 -8.100 1.00 5.13 H new ATOM 0 HG2 LYS A 4 1.688 9.417 -6.029 1.00 72.04 H new ATOM 0 HG3 LYS A 4 3.354 9.192 -6.525 1.00 72.04 H new ATOM 0 HD2 LYS A 4 2.925 11.071 -4.819 1.00 51.21 H new ATOM 0 HD3 LYS A 4 3.897 11.501 -6.213 1.00 51.21 H new ATOM 0 HE2 LYS A 4 2.190 13.245 -5.621 1.00 62.41 H new ATOM 0 HE3 LYS A 4 2.037 12.660 -7.266 1.00 62.41 H new ATOM 0 HZ1 LYS A 4 -0.122 12.656 -6.537 1.00 42.42 H new ATOM 0 HZ2 LYS A 4 0.315 11.045 -6.226 1.00 42.42 H new ATOM 0 HZ3 LYS A 4 0.273 12.174 -4.958 1.00 42.42 H new ATOM 60 N ILE A 5 1.668 6.700 -7.517 1.00 62.15 N ATOM 61 CA ILE A 5 1.044 5.681 -6.662 1.00 23.53 C ATOM 62 C ILE A 5 1.748 5.627 -5.296 1.00 74.53 C ATOM 63 O ILE A 5 2.948 5.924 -5.185 1.00 21.23 O ATOM 64 CB ILE A 5 1.069 4.255 -7.344 1.00 60.44 C ATOM 65 CG1 ILE A 5 2.533 3.787 -7.636 1.00 24.20 C ATOM 66 CG2 ILE A 5 0.209 4.249 -8.636 1.00 63.21 C ATOM 67 CD1 ILE A 5 2.658 2.378 -8.200 1.00 41.11 C ATOM 0 H ILE A 5 2.663 6.541 -7.674 1.00 62.15 H new ATOM 0 HA ILE A 5 0.001 5.964 -6.517 1.00 23.53 H new ATOM 0 HB ILE A 5 0.633 3.542 -6.644 1.00 60.44 H new ATOM 0 HG12 ILE A 5 2.988 4.485 -8.339 1.00 24.20 H new ATOM 0 HG13 ILE A 5 3.108 3.845 -6.712 1.00 24.20 H new ATOM 0 HG21 ILE A 5 0.240 3.258 -9.089 1.00 63.21 H new ATOM 0 HG22 ILE A 5 -0.822 4.502 -8.388 1.00 63.21 H new ATOM 0 HG23 ILE A 5 0.604 4.982 -9.339 1.00 63.21 H new ATOM 0 HD11 ILE A 5 3.709 2.146 -8.369 1.00 41.11 H new ATOM 0 HD12 ILE A 5 2.238 1.664 -7.492 1.00 41.11 H new ATOM 0 HD13 ILE A 5 2.116 2.314 -9.144 1.00 41.11 H new ATOM 79 N ILE A 6 0.984 5.272 -4.258 1.00 51.42 N ATOM 80 CA ILE A 6 1.509 5.030 -2.908 1.00 5.20 C ATOM 81 C ILE A 6 1.322 3.551 -2.581 1.00 12.12 C ATOM 82 O ILE A 6 0.194 3.048 -2.577 1.00 43.15 O ATOM 83 CB ILE A 6 0.802 5.918 -1.817 1.00 74.04 C ATOM 84 CG1 ILE A 6 1.028 7.440 -2.089 1.00 1.30 C ATOM 85 CG2 ILE A 6 1.270 5.542 -0.388 1.00 20.41 C ATOM 86 CD1 ILE A 6 2.475 7.916 -2.030 1.00 20.24 C ATOM 0 H ILE A 6 -0.025 5.143 -4.331 1.00 51.42 H new ATOM 0 HA ILE A 6 2.564 5.303 -2.894 1.00 5.20 H new ATOM 0 HB ILE A 6 -0.267 5.718 -1.883 1.00 74.04 H new ATOM 0 HG12 ILE A 6 0.627 7.677 -3.074 1.00 1.30 H new ATOM 0 HG13 ILE A 6 0.448 8.010 -1.363 1.00 1.30 H new ATOM 0 HG21 ILE A 6 0.762 6.175 0.340 1.00 20.41 H new ATOM 0 HG22 ILE A 6 1.031 4.497 -0.190 1.00 20.41 H new ATOM 0 HG23 ILE A 6 2.347 5.689 -0.307 1.00 20.41 H new ATOM 0 HD11 ILE A 6 2.515 8.986 -2.234 1.00 20.24 H new ATOM 0 HD12 ILE A 6 2.882 7.720 -1.038 1.00 20.24 H new ATOM 0 HD13 ILE A 6 3.064 7.383 -2.776 1.00 20.24 H new ATOM 98 N VAL A 7 2.432 2.868 -2.313 1.00 51.31 N ATOM 99 CA VAL A 7 2.438 1.451 -1.965 1.00 22.23 C ATOM 100 C VAL A 7 2.598 1.320 -0.448 1.00 22.53 C ATOM 101 O VAL A 7 3.618 1.732 0.109 1.00 60.44 O ATOM 102 CB VAL A 7 3.577 0.668 -2.708 1.00 54.14 C ATOM 103 CG1 VAL A 7 3.588 -0.812 -2.278 1.00 61.11 C ATOM 104 CG2 VAL A 7 3.438 0.796 -4.247 1.00 41.54 C ATOM 0 H VAL A 7 3.362 3.288 -2.332 1.00 51.31 H new ATOM 0 HA VAL A 7 1.494 1.009 -2.284 1.00 22.23 H new ATOM 0 HB VAL A 7 4.530 1.115 -2.425 1.00 54.14 H new ATOM 0 HG11 VAL A 7 4.385 -1.338 -2.804 1.00 61.11 H new ATOM 0 HG12 VAL A 7 3.758 -0.877 -1.203 1.00 61.11 H new ATOM 0 HG13 VAL A 7 2.629 -1.269 -2.522 1.00 61.11 H new ATOM 0 HG21 VAL A 7 4.242 0.243 -4.732 1.00 41.54 H new ATOM 0 HG22 VAL A 7 2.477 0.389 -4.561 1.00 41.54 H new ATOM 0 HG23 VAL A 7 3.498 1.847 -4.532 1.00 41.54 H new ATOM 114 N ILE A 8 1.578 0.761 0.207 1.00 3.20 N ATOM 115 CA ILE A 8 1.539 0.590 1.656 1.00 51.41 C ATOM 116 C ILE A 8 1.675 -0.893 1.991 1.00 75.35 C ATOM 117 O ILE A 8 0.930 -1.719 1.481 1.00 1.15 O ATOM 118 CB ILE A 8 0.210 1.154 2.270 1.00 1.24 C ATOM 119 CG1 ILE A 8 0.070 2.672 1.952 1.00 11.33 C ATOM 120 CG2 ILE A 8 0.146 0.885 3.796 1.00 11.12 C ATOM 121 CD1 ILE A 8 -1.178 3.320 2.505 1.00 45.53 C ATOM 0 H ILE A 8 0.744 0.410 -0.264 1.00 3.20 H new ATOM 0 HA ILE A 8 2.368 1.151 2.089 1.00 51.41 H new ATOM 0 HB ILE A 8 -0.632 0.634 1.813 1.00 1.24 H new ATOM 0 HG12 ILE A 8 0.941 3.194 2.349 1.00 11.33 H new ATOM 0 HG13 ILE A 8 0.084 2.806 0.870 1.00 11.33 H new ATOM 0 HG21 ILE A 8 -0.785 1.286 4.197 1.00 11.12 H new ATOM 0 HG22 ILE A 8 0.187 -0.189 3.978 1.00 11.12 H new ATOM 0 HG23 ILE A 8 0.991 1.369 4.286 1.00 11.12 H new ATOM 0 HD11 ILE A 8 -1.190 4.376 2.234 1.00 45.53 H new ATOM 0 HD12 ILE A 8 -2.058 2.829 2.089 1.00 45.53 H new ATOM 0 HD13 ILE A 8 -1.188 3.224 3.591 1.00 45.53 H new ATOM 133 N ILE A 9 2.597 -1.191 2.889 1.00 32.24 N ATOM 134 CA ILE A 9 2.893 -2.544 3.341 1.00 23.12 C ATOM 135 C ILE A 9 1.934 -2.833 4.511 1.00 74.42 C ATOM 136 O ILE A 9 2.204 -2.502 5.674 1.00 32.32 O ATOM 137 CB ILE A 9 4.415 -2.714 3.731 1.00 11.54 C ATOM 138 CG1 ILE A 9 5.345 -2.659 2.461 1.00 65.55 C ATOM 139 CG2 ILE A 9 4.664 -4.017 4.535 1.00 72.44 C ATOM 140 CD1 ILE A 9 5.400 -1.333 1.700 1.00 23.44 C ATOM 0 H ILE A 9 3.177 -0.482 3.337 1.00 32.24 H new ATOM 0 HA ILE A 9 2.736 -3.270 2.543 1.00 23.12 H new ATOM 0 HB ILE A 9 4.671 -1.873 4.376 1.00 11.54 H new ATOM 0 HG12 ILE A 9 6.358 -2.914 2.771 1.00 65.55 H new ATOM 0 HG13 ILE A 9 5.019 -3.435 1.768 1.00 65.55 H new ATOM 0 HG21 ILE A 9 5.723 -4.095 4.783 1.00 72.44 H new ATOM 0 HG22 ILE A 9 4.077 -3.996 5.453 1.00 72.44 H new ATOM 0 HG23 ILE A 9 4.368 -4.877 3.935 1.00 72.44 H new ATOM 0 HD11 ILE A 9 6.075 -1.429 0.849 1.00 23.44 H new ATOM 0 HD12 ILE A 9 4.402 -1.076 1.344 1.00 23.44 H new ATOM 0 HD13 ILE A 9 5.762 -0.548 2.363 1.00 23.44 H new ATOM 152 N SER A 10 0.764 -3.362 4.149 1.00 32.22 N ATOM 153 CA SER A 10 -0.347 -3.574 5.055 1.00 15.45 C ATOM 154 C SER A 10 -0.146 -4.894 5.806 1.00 14.20 C ATOM 155 O SER A 10 -0.277 -5.986 5.234 1.00 21.11 O ATOM 156 CB SER A 10 -1.657 -3.574 4.257 1.00 34.53 C ATOM 157 OG SER A 10 -2.790 -3.657 5.092 1.00 73.43 O ATOM 0 H SER A 10 0.566 -3.659 3.194 1.00 32.22 H new ATOM 0 HA SER A 10 -0.396 -2.771 5.790 1.00 15.45 H new ATOM 0 HB2 SER A 10 -1.715 -2.665 3.658 1.00 34.53 H new ATOM 0 HB3 SER A 10 -1.657 -4.414 3.563 1.00 34.53 H new ATOM 0 HG SER A 10 -3.588 -3.813 4.545 1.00 73.43 H new ATOM 163 N SER A 11 0.254 -4.757 7.064 1.00 31.21 N ATOM 164 CA SER A 11 0.424 -5.861 8.008 1.00 51.12 C ATOM 165 C SER A 11 -0.838 -5.972 8.896 1.00 24.24 C ATOM 166 O SER A 11 -1.911 -5.479 8.512 1.00 11.12 O ATOM 167 CB SER A 11 1.707 -5.583 8.829 1.00 72.14 C ATOM 168 OG SER A 11 2.813 -5.284 7.977 1.00 41.43 O ATOM 0 H SER A 11 0.476 -3.848 7.470 1.00 31.21 H new ATOM 0 HA SER A 11 0.539 -6.818 7.499 1.00 51.12 H new ATOM 0 HB2 SER A 11 1.533 -4.749 9.509 1.00 72.14 H new ATOM 0 HB3 SER A 11 1.943 -6.451 9.444 1.00 72.14 H new ATOM 0 HG SER A 11 3.609 -5.111 8.522 1.00 41.43 H new ATOM 174 N ASP A 12 -0.715 -6.625 10.074 1.00 41.05 N ATOM 175 CA ASP A 12 -1.819 -6.771 11.051 1.00 30.53 C ATOM 176 C ASP A 12 -2.294 -5.391 11.590 1.00 14.24 C ATOM 177 O ASP A 12 -3.439 -5.253 12.036 1.00 23.11 O ATOM 178 CB ASP A 12 -1.367 -7.708 12.208 1.00 15.01 C ATOM 179 CG ASP A 12 -2.466 -7.989 13.250 1.00 10.41 C ATOM 180 OD1 ASP A 12 -3.324 -8.862 13.008 1.00 62.42 O ATOM 181 OD2 ASP A 12 -2.474 -7.341 14.324 1.00 55.54 O ATOM 0 H ASP A 12 0.154 -7.066 10.375 1.00 41.05 H new ATOM 0 HA ASP A 12 -2.675 -7.220 10.547 1.00 30.53 H new ATOM 0 HB2 ASP A 12 -1.031 -8.655 11.785 1.00 15.01 H new ATOM 0 HB3 ASP A 12 -0.509 -7.261 12.711 1.00 15.01 H new ATOM 186 N ASP A 13 -1.401 -4.375 11.537 1.00 11.30 N ATOM 187 CA ASP A 13 -1.749 -2.985 11.895 1.00 41.13 C ATOM 188 C ASP A 13 -2.697 -2.392 10.832 1.00 41.54 C ATOM 189 O ASP A 13 -2.285 -2.129 9.701 1.00 52.12 O ATOM 190 CB ASP A 13 -0.482 -2.093 12.025 1.00 32.23 C ATOM 191 CG ASP A 13 0.503 -2.588 13.094 1.00 31.50 C ATOM 192 OD1 ASP A 13 0.254 -2.367 14.298 1.00 62.02 O ATOM 193 OD2 ASP A 13 1.526 -3.208 12.738 1.00 64.13 O ATOM 0 H ASP A 13 -0.430 -4.496 11.248 1.00 11.30 H new ATOM 0 HA ASP A 13 -2.247 -3.004 12.864 1.00 41.13 H new ATOM 0 HB2 ASP A 13 0.027 -2.055 11.062 1.00 32.23 H new ATOM 0 HB3 ASP A 13 -0.787 -1.074 12.265 1.00 32.23 H new ATOM 198 N THR A 14 -3.964 -2.197 11.211 1.00 54.21 N ATOM 199 CA THR A 14 -5.007 -1.677 10.311 1.00 4.25 C ATOM 200 C THR A 14 -4.911 -0.136 10.127 1.00 64.24 C ATOM 201 O THR A 14 -5.613 0.456 9.294 1.00 43.31 O ATOM 202 CB THR A 14 -6.411 -2.120 10.830 1.00 60.02 C ATOM 203 OG1 THR A 14 -6.429 -3.551 10.948 1.00 2.20 O ATOM 204 CG2 THR A 14 -7.559 -1.690 9.897 1.00 42.54 C ATOM 0 H THR A 14 -4.300 -2.395 12.154 1.00 54.21 H new ATOM 0 HA THR A 14 -4.852 -2.102 9.320 1.00 4.25 H new ATOM 0 HB THR A 14 -6.570 -1.633 11.792 1.00 60.02 H new ATOM 0 HG1 THR A 14 -6.132 -3.953 10.105 1.00 2.20 H new ATOM 0 HG21 THR A 14 -8.510 -2.026 10.311 1.00 42.54 H new ATOM 0 HG22 THR A 14 -7.567 -0.604 9.806 1.00 42.54 H new ATOM 0 HG23 THR A 14 -7.414 -2.135 8.913 1.00 42.54 H new ATOM 212 N THR A 15 -4.023 0.516 10.903 1.00 12.31 N ATOM 213 CA THR A 15 -3.676 1.938 10.706 1.00 4.40 C ATOM 214 C THR A 15 -3.191 2.203 9.252 1.00 11.32 C ATOM 215 O THR A 15 -3.502 3.225 8.650 1.00 34.20 O ATOM 216 CB THR A 15 -2.590 2.413 11.727 1.00 2.22 C ATOM 217 OG1 THR A 15 -2.768 1.741 12.990 1.00 53.12 O ATOM 218 CG2 THR A 15 -2.664 3.942 11.952 1.00 51.20 C ATOM 0 H THR A 15 -3.529 0.076 11.679 1.00 12.31 H new ATOM 0 HA THR A 15 -4.585 2.514 10.881 1.00 4.40 H new ATOM 0 HB THR A 15 -1.613 2.166 11.311 1.00 2.22 H new ATOM 0 HG1 THR A 15 -2.023 1.963 13.586 1.00 53.12 H new ATOM 0 HG21 THR A 15 -1.897 4.242 12.666 1.00 51.20 H new ATOM 0 HG22 THR A 15 -2.500 4.457 11.006 1.00 51.20 H new ATOM 0 HG23 THR A 15 -3.647 4.205 12.343 1.00 51.20 H new ATOM 226 N LEU A 16 -2.522 1.195 8.683 1.00 63.04 N ATOM 227 CA LEU A 16 -1.976 1.226 7.312 1.00 54.30 C ATOM 228 C LEU A 16 -3.118 1.213 6.260 1.00 41.22 C ATOM 229 O LEU A 16 -2.980 1.755 5.160 1.00 61.02 O ATOM 230 CB LEU A 16 -1.059 -0.010 7.160 1.00 50.42 C ATOM 231 CG LEU A 16 0.137 -0.069 8.177 1.00 3.01 C ATOM 232 CD1 LEU A 16 0.603 -1.513 8.422 1.00 75.04 C ATOM 233 CD2 LEU A 16 1.307 0.831 7.720 1.00 63.31 C ATOM 0 H LEU A 16 -2.339 0.316 9.167 1.00 63.04 H new ATOM 0 HA LEU A 16 -1.410 2.142 7.143 1.00 54.30 H new ATOM 0 HB2 LEU A 16 -1.663 -0.910 7.277 1.00 50.42 H new ATOM 0 HB3 LEU A 16 -0.658 -0.025 6.147 1.00 50.42 H new ATOM 0 HG LEU A 16 -0.226 0.319 9.129 1.00 3.01 H new ATOM 0 HD11 LEU A 16 1.431 -1.513 9.131 1.00 75.04 H new ATOM 0 HD12 LEU A 16 -0.222 -2.098 8.829 1.00 75.04 H new ATOM 0 HD13 LEU A 16 0.931 -1.954 7.481 1.00 75.04 H new ATOM 0 HD21 LEU A 16 2.119 0.768 8.445 1.00 63.31 H new ATOM 0 HD22 LEU A 16 1.664 0.497 6.746 1.00 63.31 H new ATOM 0 HD23 LEU A 16 0.965 1.863 7.647 1.00 63.31 H new ATOM 245 N GLU A 17 -4.249 0.611 6.654 1.00 34.32 N ATOM 246 CA GLU A 17 -5.439 0.409 5.801 1.00 32.43 C ATOM 247 C GLU A 17 -6.362 1.644 5.825 1.00 14.34 C ATOM 248 O GLU A 17 -6.898 2.047 4.787 1.00 71.14 O ATOM 249 CB GLU A 17 -6.199 -0.842 6.311 1.00 73.35 C ATOM 250 CG GLU A 17 -5.326 -2.115 6.367 1.00 62.22 C ATOM 251 CD GLU A 17 -6.001 -3.315 7.048 1.00 13.02 C ATOM 252 OE1 GLU A 17 -7.171 -3.604 6.734 1.00 12.10 O ATOM 253 OE2 GLU A 17 -5.369 -3.971 7.906 1.00 32.24 O ATOM 0 H GLU A 17 -4.369 0.240 7.597 1.00 34.32 H new ATOM 0 HA GLU A 17 -5.121 0.263 4.769 1.00 32.43 H new ATOM 0 HB2 GLU A 17 -6.592 -0.637 7.307 1.00 73.35 H new ATOM 0 HB3 GLU A 17 -7.055 -1.027 5.662 1.00 73.35 H new ATOM 0 HG2 GLU A 17 -5.050 -2.397 5.351 1.00 62.22 H new ATOM 0 HG3 GLU A 17 -4.402 -1.884 6.896 1.00 62.22 H new ATOM 260 N GLU A 18 -6.525 2.249 7.020 1.00 33.34 N ATOM 261 CA GLU A 18 -7.439 3.398 7.218 1.00 15.21 C ATOM 262 C GLU A 18 -6.831 4.691 6.632 1.00 52.10 C ATOM 263 O GLU A 18 -7.554 5.530 6.084 1.00 31.01 O ATOM 264 CB GLU A 18 -7.770 3.583 8.727 1.00 42.22 C ATOM 265 CG GLU A 18 -6.554 3.941 9.607 1.00 35.12 C ATOM 266 CD GLU A 18 -6.886 4.126 11.095 1.00 11.24 C ATOM 267 OE1 GLU A 18 -7.323 5.231 11.485 1.00 65.24 O ATOM 268 OE2 GLU A 18 -6.725 3.163 11.883 1.00 43.41 O ATOM 0 H GLU A 18 -6.034 1.961 7.867 1.00 33.34 H new ATOM 0 HA GLU A 18 -8.367 3.188 6.687 1.00 15.21 H new ATOM 0 HB2 GLU A 18 -8.520 4.367 8.828 1.00 42.22 H new ATOM 0 HB3 GLU A 18 -8.218 2.663 9.104 1.00 42.22 H new ATOM 0 HG2 GLU A 18 -5.805 3.156 9.508 1.00 35.12 H new ATOM 0 HG3 GLU A 18 -6.105 4.860 9.230 1.00 35.12 H new ATOM 275 N LEU A 19 -5.492 4.834 6.753 1.00 43.34 N ATOM 276 CA LEU A 19 -4.763 6.008 6.233 1.00 54.52 C ATOM 277 C LEU A 19 -4.621 5.932 4.706 1.00 20.41 C ATOM 278 O LEU A 19 -4.472 6.958 4.051 1.00 35.54 O ATOM 279 CB LEU A 19 -3.383 6.139 6.922 1.00 75.35 C ATOM 280 CG LEU A 19 -3.432 6.291 8.475 1.00 4.54 C ATOM 281 CD1 LEU A 19 -2.019 6.329 9.075 1.00 32.21 C ATOM 282 CD2 LEU A 19 -4.267 7.515 8.903 1.00 43.52 C ATOM 0 H LEU A 19 -4.893 4.146 7.209 1.00 43.34 H new ATOM 0 HA LEU A 19 -5.340 6.903 6.465 1.00 54.52 H new ATOM 0 HB2 LEU A 19 -2.787 5.260 6.677 1.00 75.35 H new ATOM 0 HB3 LEU A 19 -2.866 7.002 6.504 1.00 75.35 H new ATOM 0 HG LEU A 19 -3.933 5.409 8.874 1.00 4.54 H new ATOM 0 HD11 LEU A 19 -2.086 6.435 10.158 1.00 32.21 H new ATOM 0 HD12 LEU A 19 -1.496 5.404 8.833 1.00 32.21 H new ATOM 0 HD13 LEU A 19 -1.470 7.175 8.661 1.00 32.21 H new ATOM 0 HD21 LEU A 19 -4.277 7.586 9.991 1.00 43.52 H new ATOM 0 HD22 LEU A 19 -3.827 8.420 8.484 1.00 43.52 H new ATOM 0 HD23 LEU A 19 -5.288 7.405 8.537 1.00 43.52 H new ATOM 294 N ALA A 20 -4.692 4.704 4.162 1.00 53.23 N ATOM 295 CA ALA A 20 -4.746 4.459 2.710 1.00 42.10 C ATOM 296 C ALA A 20 -5.985 5.130 2.089 1.00 73.35 C ATOM 297 O ALA A 20 -5.925 5.684 0.984 1.00 55.24 O ATOM 298 CB ALA A 20 -4.767 2.954 2.437 1.00 22.04 C ATOM 0 H ALA A 20 -4.714 3.850 4.720 1.00 53.23 H new ATOM 0 HA ALA A 20 -3.858 4.893 2.251 1.00 42.10 H new ATOM 0 HB1 ALA A 20 -4.807 2.780 1.362 1.00 22.04 H new ATOM 0 HB2 ALA A 20 -3.865 2.498 2.845 1.00 22.04 H new ATOM 0 HB3 ALA A 20 -5.644 2.511 2.909 1.00 22.04 H new ATOM 304 N ARG A 21 -7.100 5.065 2.842 1.00 22.12 N ATOM 305 CA ARG A 21 -8.391 5.665 2.466 1.00 21.24 C ATOM 306 C ARG A 21 -8.310 7.205 2.473 1.00 1.31 C ATOM 307 O ARG A 21 -9.015 7.873 1.714 1.00 5.32 O ATOM 308 CB ARG A 21 -9.482 5.125 3.429 1.00 5.54 C ATOM 309 CG ARG A 21 -10.932 5.598 3.162 1.00 35.44 C ATOM 310 CD ARG A 21 -11.955 4.814 4.011 1.00 35.11 C ATOM 311 NE ARG A 21 -11.640 4.883 5.454 1.00 1.23 N ATOM 312 CZ ARG A 21 -11.714 3.858 6.324 1.00 3.23 C ATOM 313 NH1 ARG A 21 -12.110 2.652 5.931 1.00 4.41 N ATOM 314 NH2 ARG A 21 -11.368 4.052 7.591 1.00 21.34 N ATOM 0 H ARG A 21 -7.128 4.586 3.742 1.00 22.12 H new ATOM 0 HA ARG A 21 -8.653 5.383 1.446 1.00 21.24 H new ATOM 0 HB2 ARG A 21 -9.465 4.036 3.388 1.00 5.54 H new ATOM 0 HB3 ARG A 21 -9.212 5.410 4.446 1.00 5.54 H new ATOM 0 HG2 ARG A 21 -11.014 6.662 3.384 1.00 35.44 H new ATOM 0 HG3 ARG A 21 -11.166 5.474 2.105 1.00 35.44 H new ATOM 0 HD2 ARG A 21 -12.954 5.214 3.838 1.00 35.11 H new ATOM 0 HD3 ARG A 21 -11.969 3.772 3.692 1.00 35.11 H new ATOM 0 HE ARG A 21 -11.341 5.786 5.823 1.00 1.23 H new ATOM 0 HH11 ARG A 21 -12.364 2.491 4.956 1.00 4.41 H new ATOM 0 HH12 ARG A 21 -12.160 1.887 6.604 1.00 4.41 H new ATOM 0 HH21 ARG A 21 -11.050 4.971 7.898 1.00 21.34 H new ATOM 0 HH22 ARG A 21 -11.421 3.282 8.258 1.00 21.34 H new ATOM 328 N LYS A 22 -7.408 7.754 3.307 1.00 0.50 N ATOM 329 CA LYS A 22 -7.129 9.205 3.350 1.00 64.21 C ATOM 330 C LYS A 22 -6.311 9.645 2.110 1.00 74.23 C ATOM 331 O LYS A 22 -6.585 10.693 1.519 1.00 12.31 O ATOM 332 CB LYS A 22 -6.360 9.563 4.650 1.00 13.11 C ATOM 333 CG LYS A 22 -7.114 9.271 5.965 1.00 4.52 C ATOM 334 CD LYS A 22 -8.425 10.080 6.090 1.00 74.42 C ATOM 335 CE LYS A 22 -9.105 9.910 7.456 1.00 62.20 C ATOM 336 NZ LYS A 22 -10.415 10.606 7.504 1.00 14.01 N ATOM 0 H LYS A 22 -6.854 7.209 3.968 1.00 0.50 H new ATOM 0 HA LYS A 22 -8.080 9.737 3.341 1.00 64.21 H new ATOM 0 HB2 LYS A 22 -5.420 9.012 4.660 1.00 13.11 H new ATOM 0 HB3 LYS A 22 -6.108 10.623 4.623 1.00 13.11 H new ATOM 0 HG2 LYS A 22 -7.342 8.206 6.020 1.00 4.52 H new ATOM 0 HG3 LYS A 22 -6.466 9.503 6.810 1.00 4.52 H new ATOM 0 HD2 LYS A 22 -8.211 11.136 5.925 1.00 74.42 H new ATOM 0 HD3 LYS A 22 -9.114 9.768 5.305 1.00 74.42 H new ATOM 0 HE2 LYS A 22 -9.248 8.849 7.663 1.00 62.20 H new ATOM 0 HE3 LYS A 22 -8.455 10.302 8.238 1.00 62.20 H new ATOM 0 HZ1 LYS A 22 -10.846 10.470 8.441 1.00 14.01 H new ATOM 0 HZ2 LYS A 22 -10.275 11.622 7.331 1.00 14.01 H new ATOM 0 HZ3 LYS A 22 -11.043 10.214 6.774 1.00 14.01 H new ATOM 350 N ILE A 23 -5.311 8.819 1.742 1.00 74.44 N ATOM 351 CA ILE A 23 -4.381 9.087 0.620 1.00 40.21 C ATOM 352 C ILE A 23 -5.108 9.108 -0.732 1.00 45.54 C ATOM 353 O ILE A 23 -5.006 10.091 -1.453 1.00 54.32 O ATOM 354 CB ILE A 23 -3.224 8.019 0.596 1.00 0.21 C ATOM 355 CG1 ILE A 23 -2.417 8.063 1.931 1.00 23.42 C ATOM 356 CG2 ILE A 23 -2.285 8.210 -0.624 1.00 61.12 C ATOM 357 CD1 ILE A 23 -1.488 6.889 2.150 1.00 11.51 C ATOM 0 H ILE A 23 -5.122 7.937 2.219 1.00 74.44 H new ATOM 0 HA ILE A 23 -3.952 10.076 0.782 1.00 40.21 H new ATOM 0 HB ILE A 23 -3.684 7.036 0.496 1.00 0.21 H new ATOM 0 HG12 ILE A 23 -1.831 8.982 1.955 1.00 23.42 H new ATOM 0 HG13 ILE A 23 -3.120 8.112 2.763 1.00 23.42 H new ATOM 0 HG21 ILE A 23 -1.501 7.453 -0.602 1.00 61.12 H new ATOM 0 HG22 ILE A 23 -2.860 8.111 -1.545 1.00 61.12 H new ATOM 0 HG23 ILE A 23 -1.833 9.201 -0.584 1.00 61.12 H new ATOM 0 HD11 ILE A 23 -0.971 7.007 3.102 1.00 11.51 H new ATOM 0 HD12 ILE A 23 -2.066 5.965 2.163 1.00 11.51 H new ATOM 0 HD13 ILE A 23 -0.757 6.848 1.343 1.00 11.51 H new ATOM 369 N LYS A 24 -5.884 8.038 -1.025 1.00 41.11 N ATOM 370 CA LYS A 24 -6.572 7.863 -2.333 1.00 12.15 C ATOM 371 C LYS A 24 -7.494 9.059 -2.682 1.00 54.32 C ATOM 372 O LYS A 24 -7.763 9.315 -3.858 1.00 44.01 O ATOM 373 CB LYS A 24 -7.390 6.547 -2.349 1.00 53.12 C ATOM 374 CG LYS A 24 -8.531 6.500 -1.309 1.00 20.11 C ATOM 375 CD LYS A 24 -9.424 5.246 -1.435 1.00 10.43 C ATOM 376 CE LYS A 24 -10.186 5.182 -2.770 1.00 43.34 C ATOM 377 NZ LYS A 24 -11.055 3.983 -2.859 1.00 51.10 N ATOM 0 H LYS A 24 -6.052 7.275 -0.369 1.00 41.11 H new ATOM 0 HA LYS A 24 -5.792 7.816 -3.093 1.00 12.15 H new ATOM 0 HB2 LYS A 24 -7.814 6.407 -3.344 1.00 53.12 H new ATOM 0 HB3 LYS A 24 -6.715 5.710 -2.170 1.00 53.12 H new ATOM 0 HG2 LYS A 24 -8.102 6.532 -0.308 1.00 20.11 H new ATOM 0 HG3 LYS A 24 -9.150 7.390 -1.419 1.00 20.11 H new ATOM 0 HD2 LYS A 24 -8.805 4.354 -1.333 1.00 10.43 H new ATOM 0 HD3 LYS A 24 -10.140 5.233 -0.613 1.00 10.43 H new ATOM 0 HE2 LYS A 24 -10.794 6.079 -2.883 1.00 43.34 H new ATOM 0 HE3 LYS A 24 -9.473 5.174 -3.594 1.00 43.34 H new ATOM 0 HZ1 LYS A 24 -11.950 4.237 -3.324 1.00 51.10 H new ATOM 0 HZ2 LYS A 24 -10.574 3.246 -3.412 1.00 51.10 H new ATOM 0 HZ3 LYS A 24 -11.252 3.625 -1.903 1.00 51.10 H new ATOM 391 N ASP A 25 -7.939 9.782 -1.634 1.00 60.32 N ATOM 392 CA ASP A 25 -8.841 10.941 -1.745 1.00 61.14 C ATOM 393 C ASP A 25 -8.178 12.137 -2.469 1.00 71.23 C ATOM 394 O ASP A 25 -8.875 12.961 -3.078 1.00 62.52 O ATOM 395 CB ASP A 25 -9.329 11.343 -0.331 1.00 3.02 C ATOM 396 CG ASP A 25 -10.336 12.505 -0.343 1.00 3.14 C ATOM 397 OD1 ASP A 25 -11.420 12.353 -0.952 1.00 21.44 O ATOM 398 OD2 ASP A 25 -10.047 13.578 0.237 1.00 52.40 O ATOM 0 H ASP A 25 -7.676 9.571 -0.671 1.00 60.32 H new ATOM 0 HA ASP A 25 -9.695 10.652 -2.357 1.00 61.14 H new ATOM 0 HB2 ASP A 25 -9.789 10.478 0.147 1.00 3.02 H new ATOM 0 HB3 ASP A 25 -8.469 11.623 0.277 1.00 3.02 H new ATOM 403 N GLU A 26 -6.828 12.205 -2.431 1.00 22.21 N ATOM 404 CA GLU A 26 -6.052 13.253 -3.132 1.00 51.21 C ATOM 405 C GLU A 26 -6.119 13.061 -4.667 1.00 1.13 C ATOM 406 O GLU A 26 -5.740 13.959 -5.432 1.00 15.30 O ATOM 407 CB GLU A 26 -4.572 13.241 -2.635 1.00 62.23 C ATOM 408 CG GLU A 26 -4.377 13.452 -1.112 1.00 54.30 C ATOM 409 CD GLU A 26 -4.870 14.824 -0.606 1.00 1.13 C ATOM 410 OE1 GLU A 26 -6.077 14.974 -0.307 1.00 12.52 O ATOM 411 OE2 GLU A 26 -4.056 15.765 -0.521 1.00 44.14 O ATOM 0 H GLU A 26 -6.249 11.540 -1.918 1.00 22.21 H new ATOM 0 HA GLU A 26 -6.492 14.223 -2.901 1.00 51.21 H new ATOM 0 HB2 GLU A 26 -4.122 12.288 -2.912 1.00 62.23 H new ATOM 0 HB3 GLU A 26 -4.023 14.019 -3.165 1.00 62.23 H new ATOM 0 HG2 GLU A 26 -4.907 12.665 -0.575 1.00 54.30 H new ATOM 0 HG3 GLU A 26 -3.319 13.345 -0.872 1.00 54.30 H new ATOM 418 N GLY A 27 -6.583 11.867 -5.098 1.00 24.21 N ATOM 419 CA GLY A 27 -6.890 11.584 -6.501 1.00 71.02 C ATOM 420 C GLY A 27 -5.866 10.684 -7.164 1.00 0.22 C ATOM 421 O GLY A 27 -5.709 10.721 -8.385 1.00 31.11 O ATOM 0 H GLY A 27 -6.752 11.077 -4.475 1.00 24.21 H new ATOM 0 HA2 GLY A 27 -7.872 11.115 -6.564 1.00 71.02 H new ATOM 0 HA3 GLY A 27 -6.949 12.524 -7.050 1.00 71.02 H new ATOM 425 N LEU A 28 -5.173 9.856 -6.368 1.00 33.43 N ATOM 426 CA LEU A 28 -4.103 8.962 -6.867 1.00 0.31 C ATOM 427 C LEU A 28 -4.403 7.503 -6.503 1.00 43.41 C ATOM 428 O LEU A 28 -5.079 7.226 -5.503 1.00 42.34 O ATOM 429 CB LEU A 28 -2.692 9.372 -6.336 1.00 43.34 C ATOM 430 CG LEU A 28 -2.371 9.139 -4.816 1.00 31.41 C ATOM 431 CD1 LEU A 28 -0.883 9.394 -4.517 1.00 51.42 C ATOM 432 CD2 LEU A 28 -3.243 10.017 -3.915 1.00 74.13 C ATOM 0 H LEU A 28 -5.333 9.783 -5.363 1.00 33.43 H new ATOM 0 HA LEU A 28 -4.085 9.063 -7.952 1.00 0.31 H new ATOM 0 HB2 LEU A 28 -1.947 8.831 -6.920 1.00 43.34 H new ATOM 0 HB3 LEU A 28 -2.553 10.432 -6.546 1.00 43.34 H new ATOM 0 HG LEU A 28 -2.598 8.095 -4.599 1.00 31.41 H new ATOM 0 HD11 LEU A 28 -0.691 9.225 -3.458 1.00 51.42 H new ATOM 0 HD12 LEU A 28 -0.271 8.714 -5.110 1.00 51.42 H new ATOM 0 HD13 LEU A 28 -0.632 10.424 -4.772 1.00 51.42 H new ATOM 0 HD21 LEU A 28 -2.993 9.828 -2.871 1.00 74.13 H new ATOM 0 HD22 LEU A 28 -3.064 11.067 -4.147 1.00 74.13 H new ATOM 0 HD23 LEU A 28 -4.294 9.782 -4.084 1.00 74.13 H new ATOM 444 N GLU A 29 -3.894 6.589 -7.339 1.00 70.43 N ATOM 445 CA GLU A 29 -4.058 5.141 -7.162 1.00 44.25 C ATOM 446 C GLU A 29 -3.162 4.641 -6.011 1.00 72.33 C ATOM 447 O GLU A 29 -1.986 5.003 -5.936 1.00 64.53 O ATOM 448 CB GLU A 29 -3.711 4.438 -8.497 1.00 22.31 C ATOM 449 CG GLU A 29 -3.818 2.896 -8.488 1.00 61.50 C ATOM 450 CD GLU A 29 -3.733 2.302 -9.902 1.00 53.30 C ATOM 451 OE1 GLU A 29 -2.613 2.141 -10.428 1.00 63.03 O ATOM 452 OE2 GLU A 29 -4.796 2.037 -10.510 1.00 4.44 O ATOM 0 H GLU A 29 -3.351 6.837 -8.166 1.00 70.43 H new ATOM 0 HA GLU A 29 -5.089 4.907 -6.896 1.00 44.25 H new ATOM 0 HB2 GLU A 29 -4.371 4.825 -9.273 1.00 22.31 H new ATOM 0 HB3 GLU A 29 -2.694 4.712 -8.777 1.00 22.31 H new ATOM 0 HG2 GLU A 29 -3.020 2.481 -7.873 1.00 61.50 H new ATOM 0 HG3 GLU A 29 -4.761 2.601 -8.028 1.00 61.50 H new ATOM 459 N VAL A 30 -3.743 3.840 -5.103 1.00 75.34 N ATOM 460 CA VAL A 30 -3.032 3.279 -3.942 1.00 55.42 C ATOM 461 C VAL A 30 -2.914 1.752 -4.104 1.00 2.20 C ATOM 462 O VAL A 30 -3.904 1.071 -4.421 1.00 53.13 O ATOM 463 CB VAL A 30 -3.760 3.639 -2.586 1.00 63.55 C ATOM 464 CG1 VAL A 30 -3.040 3.021 -1.361 1.00 12.20 C ATOM 465 CG2 VAL A 30 -3.876 5.173 -2.422 1.00 74.43 C ATOM 0 H VAL A 30 -4.723 3.562 -5.154 1.00 75.34 H new ATOM 0 HA VAL A 30 -2.036 3.719 -3.901 1.00 55.42 H new ATOM 0 HB VAL A 30 -4.761 3.209 -2.632 1.00 63.55 H new ATOM 0 HG11 VAL A 30 -3.573 3.293 -0.450 1.00 12.20 H new ATOM 0 HG12 VAL A 30 -3.021 1.936 -1.460 1.00 12.20 H new ATOM 0 HG13 VAL A 30 -2.019 3.399 -1.310 1.00 12.20 H new ATOM 0 HG21 VAL A 30 -4.380 5.401 -1.483 1.00 74.43 H new ATOM 0 HG22 VAL A 30 -2.880 5.615 -2.416 1.00 74.43 H new ATOM 0 HG23 VAL A 30 -4.451 5.585 -3.252 1.00 74.43 H new ATOM 475 N TYR A 31 -1.696 1.235 -3.898 1.00 23.44 N ATOM 476 CA TYR A 31 -1.407 -0.200 -3.877 1.00 54.24 C ATOM 477 C TYR A 31 -1.244 -0.636 -2.439 1.00 24.24 C ATOM 478 O TYR A 31 -0.560 0.028 -1.662 1.00 42.02 O ATOM 479 CB TYR A 31 -0.127 -0.523 -4.683 1.00 42.12 C ATOM 480 CG TYR A 31 -0.372 -0.519 -6.188 1.00 41.41 C ATOM 481 CD1 TYR A 31 -0.391 0.666 -6.920 1.00 14.14 C ATOM 482 CD2 TYR A 31 -0.643 -1.708 -6.865 1.00 52.52 C ATOM 483 CE1 TYR A 31 -0.659 0.659 -8.266 1.00 30.31 C ATOM 484 CE2 TYR A 31 -0.916 -1.710 -8.203 1.00 0.12 C ATOM 485 CZ TYR A 31 -0.924 -0.526 -8.903 1.00 41.40 C ATOM 486 OH TYR A 31 -1.231 -0.525 -10.239 1.00 54.14 O ATOM 0 H TYR A 31 -0.872 1.814 -3.739 1.00 23.44 H new ATOM 0 HA TYR A 31 -2.232 -0.740 -4.342 1.00 54.24 H new ATOM 0 HB2 TYR A 31 0.645 0.207 -4.441 1.00 42.12 H new ATOM 0 HB3 TYR A 31 0.252 -1.500 -4.382 1.00 42.12 H new ATOM 0 HD1 TYR A 31 -0.192 1.603 -6.421 1.00 14.14 H new ATOM 0 HD2 TYR A 31 -0.637 -2.642 -6.322 1.00 52.52 H new ATOM 0 HE1 TYR A 31 -0.661 1.585 -8.822 1.00 30.31 H new ATOM 0 HE2 TYR A 31 -1.125 -2.640 -8.711 1.00 0.12 H new ATOM 0 HH TYR A 31 -1.955 -1.163 -10.409 1.00 54.14 H new ATOM 496 N ILE A 32 -1.904 -1.726 -2.079 1.00 34.42 N ATOM 497 CA ILE A 32 -1.840 -2.282 -0.734 1.00 55.01 C ATOM 498 C ILE A 32 -1.150 -3.648 -0.808 1.00 24.14 C ATOM 499 O ILE A 32 -1.695 -4.594 -1.363 1.00 51.41 O ATOM 500 CB ILE A 32 -3.284 -2.397 -0.119 1.00 45.40 C ATOM 501 CG1 ILE A 32 -3.977 -0.999 -0.022 1.00 22.02 C ATOM 502 CG2 ILE A 32 -3.267 -3.088 1.258 1.00 61.13 C ATOM 503 CD1 ILE A 32 -3.311 -0.020 0.928 1.00 22.33 C ATOM 0 H ILE A 32 -2.503 -2.253 -2.714 1.00 34.42 H new ATOM 0 HA ILE A 32 -1.265 -1.626 -0.081 1.00 55.01 H new ATOM 0 HB ILE A 32 -3.867 -3.020 -0.797 1.00 45.40 H new ATOM 0 HG12 ILE A 32 -4.006 -0.555 -1.017 1.00 22.02 H new ATOM 0 HG13 ILE A 32 -5.010 -1.143 0.293 1.00 22.02 H new ATOM 0 HG21 ILE A 32 -4.283 -3.147 1.648 1.00 61.13 H new ATOM 0 HG22 ILE A 32 -2.858 -4.093 1.156 1.00 61.13 H new ATOM 0 HG23 ILE A 32 -2.647 -2.513 1.946 1.00 61.13 H new ATOM 0 HD11 ILE A 32 -3.863 0.920 0.927 1.00 22.33 H new ATOM 0 HD12 ILE A 32 -3.305 -0.437 1.935 1.00 22.33 H new ATOM 0 HD13 ILE A 32 -2.286 0.161 0.604 1.00 22.33 H new ATOM 515 N LEU A 33 0.069 -3.728 -0.277 1.00 40.34 N ATOM 516 CA LEU A 33 0.825 -4.975 -0.197 1.00 74.23 C ATOM 517 C LEU A 33 0.441 -5.710 1.071 1.00 23.45 C ATOM 518 O LEU A 33 0.872 -5.347 2.168 1.00 3.23 O ATOM 519 CB LEU A 33 2.354 -4.713 -0.234 1.00 75.52 C ATOM 520 CG LEU A 33 2.926 -4.288 -1.612 1.00 43.01 C ATOM 521 CD1 LEU A 33 4.473 -4.305 -1.602 1.00 35.12 C ATOM 522 CD2 LEU A 33 2.337 -5.164 -2.743 1.00 15.32 C ATOM 0 H LEU A 33 0.562 -2.924 0.112 1.00 40.34 H new ATOM 0 HA LEU A 33 0.580 -5.589 -1.063 1.00 74.23 H new ATOM 0 HB2 LEU A 33 2.589 -3.936 0.493 1.00 75.52 H new ATOM 0 HB3 LEU A 33 2.868 -5.618 0.090 1.00 75.52 H new ATOM 0 HG LEU A 33 2.623 -3.260 -1.810 1.00 43.01 H new ATOM 0 HD11 LEU A 33 4.847 -4.003 -2.580 1.00 35.12 H new ATOM 0 HD12 LEU A 33 4.840 -3.613 -0.844 1.00 35.12 H new ATOM 0 HD13 LEU A 33 4.824 -5.311 -1.374 1.00 35.12 H new ATOM 0 HD21 LEU A 33 2.752 -4.849 -3.701 1.00 15.32 H new ATOM 0 HD22 LEU A 33 2.591 -6.209 -2.564 1.00 15.32 H new ATOM 0 HD23 LEU A 33 1.253 -5.052 -2.763 1.00 15.32 H new ATOM 534 N LEU A 34 -0.386 -6.740 0.902 1.00 13.21 N ATOM 535 CA LEU A 34 -0.895 -7.514 2.015 1.00 53.52 C ATOM 536 C LEU A 34 0.149 -8.580 2.371 1.00 65.31 C ATOM 537 O LEU A 34 0.521 -9.409 1.524 1.00 73.20 O ATOM 538 CB LEU A 34 -2.284 -8.156 1.672 1.00 23.54 C ATOM 539 CG LEU A 34 -3.389 -8.020 2.779 1.00 64.41 C ATOM 540 CD1 LEU A 34 -2.958 -8.658 4.126 1.00 54.14 C ATOM 541 CD2 LEU A 34 -3.784 -6.537 2.958 1.00 14.15 C ATOM 0 H LEU A 34 -0.717 -7.055 -0.010 1.00 13.21 H new ATOM 0 HA LEU A 34 -1.062 -6.865 2.875 1.00 53.52 H new ATOM 0 HB2 LEU A 34 -2.657 -7.701 0.754 1.00 23.54 H new ATOM 0 HB3 LEU A 34 -2.133 -9.215 1.464 1.00 23.54 H new ATOM 0 HG LEU A 34 -4.264 -8.577 2.443 1.00 64.41 H new ATOM 0 HD11 LEU A 34 -3.757 -8.537 4.858 1.00 54.14 H new ATOM 0 HD12 LEU A 34 -2.758 -9.719 3.979 1.00 54.14 H new ATOM 0 HD13 LEU A 34 -2.056 -8.166 4.489 1.00 54.14 H new ATOM 0 HD21 LEU A 34 -4.551 -6.455 3.728 1.00 14.15 H new ATOM 0 HD22 LEU A 34 -2.908 -5.961 3.255 1.00 14.15 H new ATOM 0 HD23 LEU A 34 -4.172 -6.148 2.017 1.00 14.15 H new ATOM 553 N LYS A 35 0.626 -8.525 3.614 1.00 21.02 N ATOM 554 CA LYS A 35 1.443 -9.567 4.215 1.00 3.52 C ATOM 555 C LYS A 35 0.964 -9.741 5.661 1.00 53.43 C ATOM 556 O LYS A 35 1.003 -8.809 6.474 1.00 1.23 O ATOM 557 CB LYS A 35 2.960 -9.233 4.114 1.00 14.54 C ATOM 558 CG LYS A 35 3.406 -7.910 4.783 1.00 4.13 C ATOM 559 CD LYS A 35 4.928 -7.673 4.679 1.00 62.55 C ATOM 560 CE LYS A 35 5.768 -8.817 5.276 1.00 15.13 C ATOM 561 NZ LYS A 35 5.393 -9.107 6.686 1.00 25.40 N ATOM 0 H LYS A 35 0.450 -7.739 4.239 1.00 21.02 H new ATOM 0 HA LYS A 35 1.327 -10.509 3.679 1.00 3.52 H new ATOM 0 HB2 LYS A 35 3.523 -10.052 4.561 1.00 14.54 H new ATOM 0 HB3 LYS A 35 3.235 -9.195 3.060 1.00 14.54 H new ATOM 0 HG2 LYS A 35 2.880 -7.077 4.317 1.00 4.13 H new ATOM 0 HG3 LYS A 35 3.115 -7.923 5.833 1.00 4.13 H new ATOM 0 HD2 LYS A 35 5.197 -7.544 3.631 1.00 62.55 H new ATOM 0 HD3 LYS A 35 5.179 -6.743 5.190 1.00 62.55 H new ATOM 0 HE2 LYS A 35 5.636 -9.716 4.674 1.00 15.13 H new ATOM 0 HE3 LYS A 35 6.825 -8.554 5.229 1.00 15.13 H new ATOM 0 HZ1 LYS A 35 6.058 -9.798 7.087 1.00 25.40 H new ATOM 0 HZ2 LYS A 35 5.429 -8.229 7.242 1.00 25.40 H new ATOM 0 HZ3 LYS A 35 4.429 -9.496 6.716 1.00 25.40 H new ATOM 575 N ASP A 36 0.468 -10.932 5.960 1.00 75.53 N ATOM 576 CA ASP A 36 -0.174 -11.248 7.237 1.00 71.23 C ATOM 577 C ASP A 36 0.361 -12.582 7.757 1.00 3.35 C ATOM 578 O ASP A 36 0.983 -13.345 7.002 1.00 15.13 O ATOM 579 CB ASP A 36 -1.715 -11.279 7.041 1.00 41.34 C ATOM 580 CG ASP A 36 -2.494 -11.597 8.330 1.00 71.33 C ATOM 581 OD1 ASP A 36 -2.683 -10.687 9.164 1.00 65.31 O ATOM 582 OD2 ASP A 36 -2.888 -12.761 8.531 1.00 72.02 O ATOM 0 H ASP A 36 0.498 -11.722 5.315 1.00 75.53 H new ATOM 0 HA ASP A 36 0.055 -10.484 7.980 1.00 71.23 H new ATOM 0 HB2 ASP A 36 -2.043 -10.313 6.657 1.00 41.34 H new ATOM 0 HB3 ASP A 36 -1.962 -12.024 6.284 1.00 41.34 H new ATOM 587 N LYS A 37 0.112 -12.828 9.049 1.00 64.32 N ATOM 588 CA LYS A 37 0.497 -14.050 9.769 1.00 73.13 C ATOM 589 C LYS A 37 0.020 -15.316 9.026 1.00 65.23 C ATOM 590 O LYS A 37 0.823 -16.180 8.657 1.00 14.34 O ATOM 591 CB LYS A 37 -0.113 -14.006 11.202 1.00 41.33 C ATOM 592 CG LYS A 37 0.135 -12.683 11.973 1.00 30.21 C ATOM 593 CD LYS A 37 1.632 -12.367 12.194 1.00 23.55 C ATOM 594 CE LYS A 37 2.342 -13.416 13.069 1.00 71.11 C ATOM 595 NZ LYS A 37 3.787 -13.108 13.252 1.00 33.31 N ATOM 0 H LYS A 37 -0.380 -12.160 9.643 1.00 64.32 H new ATOM 0 HA LYS A 37 1.585 -14.095 9.827 1.00 73.13 H new ATOM 0 HB2 LYS A 37 -1.188 -14.172 11.130 1.00 41.33 H new ATOM 0 HB3 LYS A 37 0.299 -14.831 11.783 1.00 41.33 H new ATOM 0 HG2 LYS A 37 -0.324 -11.861 11.424 1.00 30.21 H new ATOM 0 HG3 LYS A 37 -0.363 -12.737 12.941 1.00 30.21 H new ATOM 0 HD2 LYS A 37 2.132 -12.308 11.227 1.00 23.55 H new ATOM 0 HD3 LYS A 37 1.726 -11.387 12.662 1.00 23.55 H new ATOM 0 HE2 LYS A 37 1.856 -13.464 14.043 1.00 71.11 H new ATOM 0 HE3 LYS A 37 2.237 -14.400 12.612 1.00 71.11 H new ATOM 0 HZ1 LYS A 37 4.225 -13.840 13.847 1.00 33.31 H new ATOM 0 HZ2 LYS A 37 4.258 -13.088 12.325 1.00 33.31 H new ATOM 0 HZ3 LYS A 37 3.889 -12.181 13.712 1.00 33.31 H new ATOM 609 N ASP A 38 -1.293 -15.374 8.771 1.00 72.35 N ATOM 610 CA ASP A 38 -1.951 -16.511 8.109 1.00 13.25 C ATOM 611 C ASP A 38 -2.194 -16.172 6.628 1.00 35.31 C ATOM 612 O ASP A 38 -2.341 -14.997 6.273 1.00 1.14 O ATOM 613 CB ASP A 38 -3.281 -16.823 8.849 1.00 2.33 C ATOM 614 CG ASP A 38 -4.090 -17.971 8.224 1.00 45.22 C ATOM 615 OD1 ASP A 38 -3.556 -19.093 8.121 1.00 42.10 O ATOM 616 OD2 ASP A 38 -5.262 -17.765 7.830 1.00 12.34 O ATOM 0 H ASP A 38 -1.938 -14.624 9.021 1.00 72.35 H new ATOM 0 HA ASP A 38 -1.317 -17.397 8.150 1.00 13.25 H new ATOM 0 HB2 ASP A 38 -3.058 -17.072 9.886 1.00 2.33 H new ATOM 0 HB3 ASP A 38 -3.897 -15.924 8.863 1.00 2.33 H new ATOM 621 N GLU A 39 -2.250 -17.214 5.789 1.00 1.33 N ATOM 622 CA GLU A 39 -2.390 -17.084 4.327 1.00 22.21 C ATOM 623 C GLU A 39 -3.848 -16.758 3.952 1.00 24.23 C ATOM 624 O GLU A 39 -4.109 -15.880 3.122 1.00 53.44 O ATOM 625 CB GLU A 39 -1.906 -18.394 3.639 1.00 75.12 C ATOM 626 CG GLU A 39 -2.238 -18.534 2.133 1.00 72.42 C ATOM 627 CD GLU A 39 -1.739 -17.369 1.252 1.00 65.55 C ATOM 628 OE1 GLU A 39 -0.519 -17.276 1.007 1.00 64.13 O ATOM 629 OE2 GLU A 39 -2.570 -16.563 0.775 1.00 34.55 O ATOM 0 H GLU A 39 -2.199 -18.182 6.106 1.00 1.33 H new ATOM 0 HA GLU A 39 -1.769 -16.260 3.976 1.00 22.21 H new ATOM 0 HB2 GLU A 39 -0.825 -18.466 3.760 1.00 75.12 H new ATOM 0 HB3 GLU A 39 -2.344 -19.241 4.167 1.00 75.12 H new ATOM 0 HG2 GLU A 39 -1.803 -19.463 1.764 1.00 72.42 H new ATOM 0 HG3 GLU A 39 -3.319 -18.621 2.020 1.00 72.42 H new ATOM 636 N LYS A 40 -4.793 -17.469 4.585 1.00 32.24 N ATOM 637 CA LYS A 40 -6.227 -17.312 4.299 1.00 24.34 C ATOM 638 C LYS A 40 -6.704 -15.918 4.757 1.00 33.24 C ATOM 639 O LYS A 40 -7.356 -15.220 3.990 1.00 34.24 O ATOM 640 CB LYS A 40 -7.030 -18.447 4.974 1.00 25.31 C ATOM 641 CG LYS A 40 -6.600 -19.860 4.506 1.00 32.13 C ATOM 642 CD LYS A 40 -7.278 -21.025 5.276 1.00 51.42 C ATOM 643 CE LYS A 40 -8.787 -21.191 4.996 1.00 20.45 C ATOM 644 NZ LYS A 40 -9.620 -20.131 5.621 1.00 0.12 N ATOM 0 H LYS A 40 -4.588 -18.163 5.303 1.00 32.24 H new ATOM 0 HA LYS A 40 -6.396 -17.384 3.225 1.00 24.34 H new ATOM 0 HB2 LYS A 40 -6.908 -18.376 6.055 1.00 25.31 H new ATOM 0 HB3 LYS A 40 -8.090 -18.308 4.763 1.00 25.31 H new ATOM 0 HG2 LYS A 40 -6.826 -19.962 3.445 1.00 32.13 H new ATOM 0 HG3 LYS A 40 -5.519 -19.951 4.612 1.00 32.13 H new ATOM 0 HD2 LYS A 40 -6.770 -21.955 5.021 1.00 51.42 H new ATOM 0 HD3 LYS A 40 -7.136 -20.867 6.345 1.00 51.42 H new ATOM 0 HE2 LYS A 40 -8.952 -21.186 3.919 1.00 20.45 H new ATOM 0 HE3 LYS A 40 -9.113 -22.164 5.364 1.00 20.45 H new ATOM 0 HZ1 LYS A 40 -10.466 -20.560 6.047 1.00 0.12 H new ATOM 0 HZ2 LYS A 40 -9.069 -19.646 6.358 1.00 0.12 H new ATOM 0 HZ3 LYS A 40 -9.909 -19.444 4.896 1.00 0.12 H new ATOM 658 N ARG A 41 -6.295 -15.518 5.985 1.00 53.53 N ATOM 659 CA ARG A 41 -6.535 -14.164 6.539 1.00 43.44 C ATOM 660 C ARG A 41 -6.029 -13.069 5.577 1.00 23.34 C ATOM 661 O ARG A 41 -6.724 -12.077 5.343 1.00 11.41 O ATOM 662 CB ARG A 41 -5.813 -14.001 7.902 1.00 22.32 C ATOM 663 CG ARG A 41 -6.530 -14.591 9.128 1.00 71.51 C ATOM 664 CD ARG A 41 -5.700 -14.403 10.430 1.00 63.13 C ATOM 665 NE ARG A 41 -5.062 -13.062 10.519 1.00 20.24 N ATOM 666 CZ ARG A 41 -4.953 -12.306 11.625 1.00 62.40 C ATOM 667 NH1 ARG A 41 -5.441 -12.714 12.790 1.00 41.41 N ATOM 668 NH2 ARG A 41 -4.305 -11.154 11.552 1.00 43.42 N ATOM 0 H ARG A 41 -5.786 -16.130 6.623 1.00 53.53 H new ATOM 0 HA ARG A 41 -7.611 -14.053 6.672 1.00 43.44 H new ATOM 0 HB2 ARG A 41 -4.829 -14.464 7.825 1.00 22.32 H new ATOM 0 HB3 ARG A 41 -5.652 -12.938 8.079 1.00 22.32 H new ATOM 0 HG2 ARG A 41 -7.503 -14.113 9.245 1.00 71.51 H new ATOM 0 HG3 ARG A 41 -6.714 -15.653 8.965 1.00 71.51 H new ATOM 0 HD2 ARG A 41 -6.349 -14.549 11.293 1.00 63.13 H new ATOM 0 HD3 ARG A 41 -4.928 -15.171 10.477 1.00 63.13 H new ATOM 0 HE ARG A 41 -4.670 -12.680 9.658 1.00 20.24 H new ATOM 0 HH11 ARG A 41 -5.910 -13.617 12.858 1.00 41.41 H new ATOM 0 HH12 ARG A 41 -5.347 -12.124 13.617 1.00 41.41 H new ATOM 0 HH21 ARG A 41 -3.898 -10.853 10.666 1.00 43.42 H new ATOM 0 HH22 ARG A 41 -4.213 -10.567 12.381 1.00 43.42 H new ATOM 682 N LEU A 42 -4.806 -13.281 5.060 1.00 52.13 N ATOM 683 CA LEU A 42 -4.141 -12.367 4.117 1.00 13.43 C ATOM 684 C LEU A 42 -5.020 -12.147 2.873 1.00 4.24 C ATOM 685 O LEU A 42 -5.409 -11.017 2.571 1.00 50.24 O ATOM 686 CB LEU A 42 -2.742 -12.968 3.745 1.00 21.14 C ATOM 687 CG LEU A 42 -1.723 -12.092 2.918 1.00 25.44 C ATOM 688 CD1 LEU A 42 -0.294 -12.651 3.041 1.00 14.12 C ATOM 689 CD2 LEU A 42 -2.096 -11.980 1.427 1.00 62.12 C ATOM 0 H LEU A 42 -4.246 -14.102 5.289 1.00 52.13 H new ATOM 0 HA LEU A 42 -3.993 -11.390 4.577 1.00 13.43 H new ATOM 0 HB2 LEU A 42 -2.250 -13.254 4.675 1.00 21.14 H new ATOM 0 HB3 LEU A 42 -2.918 -13.885 3.183 1.00 21.14 H new ATOM 0 HG LEU A 42 -1.771 -11.092 3.348 1.00 25.44 H new ATOM 0 HD11 LEU A 42 0.390 -12.031 2.462 1.00 14.12 H new ATOM 0 HD12 LEU A 42 0.009 -12.647 4.088 1.00 14.12 H new ATOM 0 HD13 LEU A 42 -0.269 -13.672 2.660 1.00 14.12 H new ATOM 0 HD21 LEU A 42 -1.357 -11.365 0.912 1.00 62.12 H new ATOM 0 HD22 LEU A 42 -2.115 -12.974 0.981 1.00 62.12 H new ATOM 0 HD23 LEU A 42 -3.080 -11.521 1.332 1.00 62.12 H new ATOM 701 N GLU A 43 -5.343 -13.258 2.192 1.00 13.25 N ATOM 702 CA GLU A 43 -6.045 -13.255 0.893 1.00 15.12 C ATOM 703 C GLU A 43 -7.492 -12.720 1.005 1.00 45.12 C ATOM 704 O GLU A 43 -8.016 -12.115 0.058 1.00 73.00 O ATOM 705 CB GLU A 43 -5.998 -14.683 0.307 1.00 61.32 C ATOM 706 CG GLU A 43 -6.632 -14.829 -1.088 1.00 21.12 C ATOM 707 CD GLU A 43 -6.437 -16.227 -1.677 1.00 61.31 C ATOM 708 OE1 GLU A 43 -5.352 -16.497 -2.247 1.00 53.42 O ATOM 709 OE2 GLU A 43 -7.343 -17.078 -1.536 1.00 52.41 O ATOM 0 H GLU A 43 -5.123 -14.195 2.529 1.00 13.25 H new ATOM 0 HA GLU A 43 -5.537 -12.568 0.216 1.00 15.12 H new ATOM 0 HB2 GLU A 43 -4.958 -15.005 0.253 1.00 61.32 H new ATOM 0 HB3 GLU A 43 -6.506 -15.360 0.994 1.00 61.32 H new ATOM 0 HG2 GLU A 43 -7.698 -14.611 -1.024 1.00 21.12 H new ATOM 0 HG3 GLU A 43 -6.196 -14.091 -1.761 1.00 21.12 H new ATOM 716 N GLU A 44 -8.116 -12.921 2.172 1.00 23.23 N ATOM 717 CA GLU A 44 -9.461 -12.396 2.460 1.00 44.11 C ATOM 718 C GLU A 44 -9.398 -10.886 2.693 1.00 24.21 C ATOM 719 O GLU A 44 -10.247 -10.146 2.186 1.00 74.13 O ATOM 720 CB GLU A 44 -10.067 -13.099 3.687 1.00 30.05 C ATOM 721 CG GLU A 44 -10.311 -14.604 3.486 1.00 60.11 C ATOM 722 CD GLU A 44 -10.872 -15.280 4.737 1.00 63.14 C ATOM 723 OE1 GLU A 44 -10.187 -15.251 5.778 1.00 11.32 O ATOM 724 OE2 GLU A 44 -11.983 -15.858 4.682 1.00 50.14 O ATOM 0 H GLU A 44 -7.707 -13.450 2.942 1.00 23.23 H new ATOM 0 HA GLU A 44 -10.101 -12.594 1.600 1.00 44.11 H new ATOM 0 HB2 GLU A 44 -9.401 -12.959 4.539 1.00 30.05 H new ATOM 0 HB3 GLU A 44 -11.012 -12.618 3.939 1.00 30.05 H new ATOM 0 HG2 GLU A 44 -11.004 -14.749 2.657 1.00 60.11 H new ATOM 0 HG3 GLU A 44 -9.374 -15.086 3.206 1.00 60.11 H new ATOM 731 N LYS A 45 -8.360 -10.444 3.435 1.00 31.31 N ATOM 732 CA LYS A 45 -8.136 -9.020 3.731 1.00 50.40 C ATOM 733 C LYS A 45 -7.882 -8.233 2.426 1.00 64.21 C ATOM 734 O LYS A 45 -8.248 -7.053 2.330 1.00 32.23 O ATOM 735 CB LYS A 45 -6.953 -8.844 4.717 1.00 3.12 C ATOM 736 CG LYS A 45 -6.667 -7.375 5.101 1.00 53.14 C ATOM 737 CD LYS A 45 -7.780 -6.726 5.961 1.00 12.54 C ATOM 738 CE LYS A 45 -7.678 -7.111 7.444 1.00 43.24 C ATOM 739 NZ LYS A 45 -6.383 -6.664 8.026 1.00 61.52 N ATOM 0 H LYS A 45 -7.659 -11.064 3.842 1.00 31.31 H new ATOM 0 HA LYS A 45 -9.033 -8.621 4.205 1.00 50.40 H new ATOM 0 HB2 LYS A 45 -7.162 -9.412 5.624 1.00 3.12 H new ATOM 0 HB3 LYS A 45 -6.056 -9.274 4.272 1.00 3.12 H new ATOM 0 HG2 LYS A 45 -5.725 -7.329 5.647 1.00 53.14 H new ATOM 0 HG3 LYS A 45 -6.536 -6.790 4.191 1.00 53.14 H new ATOM 0 HD2 LYS A 45 -7.722 -5.642 5.866 1.00 12.54 H new ATOM 0 HD3 LYS A 45 -8.754 -7.028 5.577 1.00 12.54 H new ATOM 0 HE2 LYS A 45 -8.503 -6.662 7.997 1.00 43.24 H new ATOM 0 HE3 LYS A 45 -7.774 -8.192 7.550 1.00 43.24 H new ATOM 0 HZ1 LYS A 45 -6.464 -6.621 9.062 1.00 61.52 H new ATOM 0 HZ2 LYS A 45 -5.634 -7.337 7.765 1.00 61.52 H new ATOM 0 HZ3 LYS A 45 -6.144 -5.721 7.658 1.00 61.52 H new ATOM 753 N ILE A 46 -7.265 -8.919 1.430 1.00 51.01 N ATOM 754 CA ILE A 46 -7.118 -8.401 0.063 1.00 32.34 C ATOM 755 C ILE A 46 -8.495 -7.992 -0.486 1.00 40.11 C ATOM 756 O ILE A 46 -8.710 -6.828 -0.797 1.00 50.10 O ATOM 757 CB ILE A 46 -6.410 -9.447 -0.902 1.00 63.05 C ATOM 758 CG1 ILE A 46 -4.938 -9.716 -0.439 1.00 54.23 C ATOM 759 CG2 ILE A 46 -6.446 -8.993 -2.383 1.00 44.33 C ATOM 760 CD1 ILE A 46 -4.140 -10.681 -1.306 1.00 33.55 C ATOM 0 H ILE A 46 -6.859 -9.845 1.561 1.00 51.01 H new ATOM 0 HA ILE A 46 -6.471 -7.525 0.103 1.00 32.34 H new ATOM 0 HB ILE A 46 -6.973 -10.378 -0.839 1.00 63.05 H new ATOM 0 HG12 ILE A 46 -4.408 -8.764 -0.404 1.00 54.23 H new ATOM 0 HG13 ILE A 46 -4.962 -10.105 0.579 1.00 54.23 H new ATOM 0 HG21 ILE A 46 -5.951 -9.739 -3.004 1.00 44.33 H new ATOM 0 HG22 ILE A 46 -7.482 -8.883 -2.705 1.00 44.33 H new ATOM 0 HG23 ILE A 46 -5.931 -8.037 -2.483 1.00 44.33 H new ATOM 0 HD11 ILE A 46 -3.137 -10.795 -0.895 1.00 33.55 H new ATOM 0 HD12 ILE A 46 -4.637 -11.651 -1.323 1.00 33.55 H new ATOM 0 HD13 ILE A 46 -4.074 -10.289 -2.321 1.00 33.55 H new ATOM 772 N GLN A 47 -9.441 -8.947 -0.473 1.00 22.45 N ATOM 773 CA GLN A 47 -10.789 -8.763 -1.047 1.00 35.01 C ATOM 774 C GLN A 47 -11.606 -7.688 -0.290 1.00 45.14 C ATOM 775 O GLN A 47 -12.366 -6.929 -0.910 1.00 30.23 O ATOM 776 CB GLN A 47 -11.540 -10.121 -1.055 1.00 24.45 C ATOM 777 CG GLN A 47 -10.826 -11.233 -1.853 1.00 40.04 C ATOM 778 CD GLN A 47 -10.598 -10.867 -3.324 1.00 2.11 C ATOM 779 OE1 GLN A 47 -9.464 -10.253 -3.618 1.00 14.44 O flip ATOM 780 NE2 GLN A 47 -11.436 -11.126 -4.189 1.00 71.01 N flip ATOM 0 H GLN A 47 -9.294 -9.870 -0.064 1.00 22.45 H new ATOM 0 HA GLN A 47 -10.673 -8.405 -2.070 1.00 35.01 H new ATOM 0 HB2 GLN A 47 -11.674 -10.456 -0.026 1.00 24.45 H new ATOM 0 HB3 GLN A 47 -12.535 -9.971 -1.473 1.00 24.45 H new ATOM 0 HG2 GLN A 47 -9.865 -11.448 -1.385 1.00 40.04 H new ATOM 0 HG3 GLN A 47 -11.418 -12.147 -1.800 1.00 40.04 H new ATOM 0 HE21 GLN A 47 -12.302 -11.600 -3.934 1.00 71.01 H new ATOM 0 HE22 GLN A 47 -11.264 -10.866 -5.160 1.00 71.01 H new ATOM 789 N LYS A 48 -11.406 -7.610 1.039 1.00 75.43 N ATOM 790 CA LYS A 48 -12.153 -6.687 1.916 1.00 44.12 C ATOM 791 C LYS A 48 -11.709 -5.229 1.701 1.00 72.21 C ATOM 792 O LYS A 48 -12.533 -4.308 1.738 1.00 52.24 O ATOM 793 CB LYS A 48 -11.995 -7.105 3.407 1.00 13.34 C ATOM 794 CG LYS A 48 -12.557 -8.511 3.740 1.00 63.32 C ATOM 795 CD LYS A 48 -14.052 -8.685 3.381 1.00 53.50 C ATOM 796 CE LYS A 48 -14.973 -7.723 4.152 1.00 53.05 C ATOM 797 NZ LYS A 48 -16.384 -7.825 3.699 1.00 5.44 N ATOM 0 H LYS A 48 -10.724 -8.184 1.535 1.00 75.43 H new ATOM 0 HA LYS A 48 -13.209 -6.750 1.652 1.00 44.12 H new ATOM 0 HB2 LYS A 48 -10.937 -7.078 3.669 1.00 13.34 H new ATOM 0 HB3 LYS A 48 -12.498 -6.368 4.034 1.00 13.34 H new ATOM 0 HG2 LYS A 48 -11.974 -9.261 3.205 1.00 63.32 H new ATOM 0 HG3 LYS A 48 -12.423 -8.703 4.805 1.00 63.32 H new ATOM 0 HD2 LYS A 48 -14.184 -8.525 2.311 1.00 53.50 H new ATOM 0 HD3 LYS A 48 -14.353 -9.712 3.589 1.00 53.50 H new ATOM 0 HE2 LYS A 48 -14.917 -7.943 5.218 1.00 53.05 H new ATOM 0 HE3 LYS A 48 -14.622 -6.700 4.019 1.00 53.05 H new ATOM 0 HZ1 LYS A 48 -16.972 -7.161 4.243 1.00 5.44 H new ATOM 0 HZ2 LYS A 48 -16.442 -7.590 2.687 1.00 5.44 H new ATOM 0 HZ3 LYS A 48 -16.728 -8.795 3.849 1.00 5.44 H new ATOM 811 N LEU A 49 -10.406 -5.029 1.462 1.00 3.54 N ATOM 812 CA LEU A 49 -9.855 -3.701 1.151 1.00 4.22 C ATOM 813 C LEU A 49 -10.145 -3.310 -0.317 1.00 40.44 C ATOM 814 O LEU A 49 -10.392 -2.138 -0.601 1.00 11.50 O ATOM 815 CB LEU A 49 -8.339 -3.668 1.461 1.00 43.30 C ATOM 816 CG LEU A 49 -7.952 -3.721 2.970 1.00 34.01 C ATOM 817 CD1 LEU A 49 -6.431 -3.900 3.152 1.00 14.14 C ATOM 818 CD2 LEU A 49 -8.461 -2.461 3.703 1.00 53.01 C ATOM 0 H LEU A 49 -9.710 -5.774 1.478 1.00 3.54 H new ATOM 0 HA LEU A 49 -10.346 -2.961 1.783 1.00 4.22 H new ATOM 0 HB2 LEU A 49 -7.866 -4.509 0.955 1.00 43.30 H new ATOM 0 HB3 LEU A 49 -7.919 -2.759 1.030 1.00 43.30 H new ATOM 0 HG LEU A 49 -8.436 -4.591 3.415 1.00 34.01 H new ATOM 0 HD11 LEU A 49 -6.193 -3.933 4.215 1.00 14.14 H new ATOM 0 HD12 LEU A 49 -6.115 -4.830 2.680 1.00 14.14 H new ATOM 0 HD13 LEU A 49 -5.908 -3.063 2.689 1.00 14.14 H new ATOM 0 HD21 LEU A 49 -8.182 -2.515 4.755 1.00 53.01 H new ATOM 0 HD22 LEU A 49 -8.015 -1.574 3.254 1.00 53.01 H new ATOM 0 HD23 LEU A 49 -9.546 -2.404 3.618 1.00 53.01 H new ATOM 830 N LYS A 50 -10.136 -4.298 -1.244 1.00 50.30 N ATOM 831 CA LYS A 50 -10.494 -4.059 -2.665 1.00 60.44 C ATOM 832 C LYS A 50 -11.956 -3.598 -2.806 1.00 24.52 C ATOM 833 O LYS A 50 -12.284 -2.845 -3.726 1.00 2.22 O ATOM 834 CB LYS A 50 -10.234 -5.311 -3.548 1.00 41.01 C ATOM 835 CG LYS A 50 -8.743 -5.699 -3.676 1.00 32.03 C ATOM 836 CD LYS A 50 -8.488 -6.768 -4.758 1.00 73.03 C ATOM 837 CE LYS A 50 -8.765 -6.237 -6.168 1.00 52.20 C ATOM 838 NZ LYS A 50 -8.502 -7.259 -7.215 1.00 11.41 N ATOM 0 H LYS A 50 -9.886 -5.265 -1.035 1.00 50.30 H new ATOM 0 HA LYS A 50 -9.845 -3.259 -3.021 1.00 60.44 H new ATOM 0 HB2 LYS A 50 -10.783 -6.156 -3.131 1.00 41.01 H new ATOM 0 HB3 LYS A 50 -10.637 -5.129 -4.544 1.00 41.01 H new ATOM 0 HG2 LYS A 50 -8.160 -4.808 -3.909 1.00 32.03 H new ATOM 0 HG3 LYS A 50 -8.386 -6.070 -2.715 1.00 32.03 H new ATOM 0 HD2 LYS A 50 -7.454 -7.107 -4.695 1.00 73.03 H new ATOM 0 HD3 LYS A 50 -9.120 -7.635 -4.567 1.00 73.03 H new ATOM 0 HE2 LYS A 50 -9.803 -5.911 -6.234 1.00 52.20 H new ATOM 0 HE3 LYS A 50 -8.143 -5.361 -6.353 1.00 52.20 H new ATOM 0 HZ1 LYS A 50 -8.703 -6.855 -8.152 1.00 11.41 H new ATOM 0 HZ2 LYS A 50 -7.505 -7.553 -7.171 1.00 11.41 H new ATOM 0 HZ3 LYS A 50 -9.114 -8.085 -7.055 1.00 11.41 H new ATOM 852 N SER A 51 -12.820 -4.053 -1.877 1.00 60.30 N ATOM 853 CA SER A 51 -14.211 -3.583 -1.765 1.00 54.52 C ATOM 854 C SER A 51 -14.278 -2.051 -1.523 1.00 43.21 C ATOM 855 O SER A 51 -15.211 -1.382 -1.983 1.00 71.35 O ATOM 856 CB SER A 51 -14.931 -4.355 -0.637 1.00 51.33 C ATOM 857 OG SER A 51 -16.304 -4.010 -0.559 1.00 32.11 O ATOM 0 H SER A 51 -12.570 -4.758 -1.183 1.00 60.30 H new ATOM 0 HA SER A 51 -14.719 -3.779 -2.709 1.00 54.52 H new ATOM 0 HB2 SER A 51 -14.834 -5.427 -0.810 1.00 51.33 H new ATOM 0 HB3 SER A 51 -14.447 -4.141 0.316 1.00 51.33 H new ATOM 0 HG SER A 51 -16.728 -4.518 0.164 1.00 32.11 H new ATOM 863 N GLN A 52 -13.257 -1.504 -0.823 1.00 20.40 N ATOM 864 CA GLN A 52 -13.146 -0.054 -0.539 1.00 41.03 C ATOM 865 C GLN A 52 -12.343 0.689 -1.634 1.00 42.22 C ATOM 866 O GLN A 52 -11.942 1.840 -1.435 1.00 12.33 O ATOM 867 CB GLN A 52 -12.478 0.173 0.843 1.00 14.34 C ATOM 868 CG GLN A 52 -13.196 -0.488 2.027 1.00 3.53 C ATOM 869 CD GLN A 52 -12.571 -0.096 3.361 1.00 4.33 C ATOM 870 OE1 GLN A 52 -12.974 0.888 3.982 1.00 70.34 O ATOM 871 NE2 GLN A 52 -11.557 -0.831 3.792 1.00 70.35 N ATOM 0 H GLN A 52 -12.488 -2.054 -0.440 1.00 20.40 H new ATOM 0 HA GLN A 52 -14.157 0.353 -0.529 1.00 41.03 H new ATOM 0 HB2 GLN A 52 -11.456 -0.203 0.802 1.00 14.34 H new ATOM 0 HB3 GLN A 52 -12.416 1.245 1.028 1.00 14.34 H new ATOM 0 HG2 GLN A 52 -14.247 -0.201 2.020 1.00 3.53 H new ATOM 0 HG3 GLN A 52 -13.161 -1.572 1.914 1.00 3.53 H new ATOM 0 HE21 GLN A 52 -11.248 -1.640 3.253 1.00 70.35 H new ATOM 0 HE22 GLN A 52 -11.085 -0.588 4.663 1.00 70.35 H new ATOM 880 N GLY A 53 -12.106 0.024 -2.782 1.00 71.42 N ATOM 881 CA GLY A 53 -11.442 0.653 -3.928 1.00 51.42 C ATOM 882 C GLY A 53 -9.936 0.800 -3.747 1.00 12.13 C ATOM 883 O GLY A 53 -9.385 1.893 -3.923 1.00 53.20 O ATOM 0 H GLY A 53 -12.367 -0.950 -2.935 1.00 71.42 H new ATOM 0 HA2 GLY A 53 -11.637 0.061 -4.822 1.00 51.42 H new ATOM 0 HA3 GLY A 53 -11.878 1.638 -4.096 1.00 51.42 H new ATOM 887 N PHE A 54 -9.284 -0.297 -3.347 1.00 12.30 N ATOM 888 CA PHE A 54 -7.812 -0.404 -3.294 1.00 3.52 C ATOM 889 C PHE A 54 -7.373 -1.543 -4.205 1.00 20.24 C ATOM 890 O PHE A 54 -8.031 -2.585 -4.231 1.00 31.04 O ATOM 891 CB PHE A 54 -7.320 -0.697 -1.850 1.00 43.04 C ATOM 892 CG PHE A 54 -7.647 0.388 -0.838 1.00 61.05 C ATOM 893 CD1 PHE A 54 -7.069 1.649 -0.947 1.00 31.10 C ATOM 894 CD2 PHE A 54 -8.536 0.158 0.215 1.00 55.12 C ATOM 895 CE1 PHE A 54 -7.368 2.633 -0.037 1.00 32.25 C ATOM 896 CE2 PHE A 54 -8.833 1.145 1.123 1.00 51.32 C ATOM 897 CZ PHE A 54 -8.251 2.382 0.996 1.00 33.23 C ATOM 0 H PHE A 54 -9.763 -1.146 -3.047 1.00 12.30 H new ATOM 0 HA PHE A 54 -7.382 0.544 -3.618 1.00 3.52 H new ATOM 0 HB2 PHE A 54 -7.762 -1.635 -1.513 1.00 43.04 H new ATOM 0 HB3 PHE A 54 -6.240 -0.843 -1.871 1.00 43.04 H new ATOM 0 HD1 PHE A 54 -6.380 1.855 -1.753 1.00 31.10 H new ATOM 0 HD2 PHE A 54 -8.998 -0.813 0.317 1.00 55.12 H new ATOM 0 HE1 PHE A 54 -6.911 3.607 -0.129 1.00 32.25 H new ATOM 0 HE2 PHE A 54 -9.521 0.949 1.932 1.00 51.32 H new ATOM 0 HZ PHE A 54 -8.484 3.162 1.706 1.00 33.23 H new ATOM 907 N GLU A 55 -6.276 -1.364 -4.964 1.00 22.23 N ATOM 908 CA GLU A 55 -5.670 -2.481 -5.697 1.00 11.20 C ATOM 909 C GLU A 55 -4.681 -3.180 -4.757 1.00 45.50 C ATOM 910 O GLU A 55 -3.504 -2.801 -4.637 1.00 71.44 O ATOM 911 CB GLU A 55 -5.019 -2.049 -7.036 1.00 4.12 C ATOM 912 CG GLU A 55 -4.460 -3.245 -7.858 1.00 2.25 C ATOM 913 CD GLU A 55 -4.408 -2.996 -9.373 1.00 61.22 C ATOM 914 OE1 GLU A 55 -5.416 -3.232 -10.057 1.00 71.22 O ATOM 915 OE2 GLU A 55 -3.369 -2.587 -9.888 1.00 41.13 O ATOM 0 H GLU A 55 -5.800 -0.470 -5.082 1.00 22.23 H new ATOM 0 HA GLU A 55 -6.451 -3.181 -5.995 1.00 11.20 H new ATOM 0 HB2 GLU A 55 -5.757 -1.517 -7.636 1.00 4.12 H new ATOM 0 HB3 GLU A 55 -4.210 -1.348 -6.830 1.00 4.12 H new ATOM 0 HG2 GLU A 55 -3.455 -3.477 -7.504 1.00 2.25 H new ATOM 0 HG3 GLU A 55 -5.076 -4.123 -7.666 1.00 2.25 H new ATOM 922 N VAL A 56 -5.228 -4.151 -4.016 1.00 53.44 N ATOM 923 CA VAL A 56 -4.492 -4.924 -3.017 1.00 34.15 C ATOM 924 C VAL A 56 -3.876 -6.151 -3.682 1.00 24.42 C ATOM 925 O VAL A 56 -4.583 -6.937 -4.320 1.00 41.10 O ATOM 926 CB VAL A 56 -5.409 -5.375 -1.828 1.00 53.24 C ATOM 927 CG1 VAL A 56 -4.567 -5.973 -0.679 1.00 25.10 C ATOM 928 CG2 VAL A 56 -6.282 -4.211 -1.338 1.00 10.24 C ATOM 0 H VAL A 56 -6.208 -4.423 -4.097 1.00 53.44 H new ATOM 0 HA VAL A 56 -3.712 -4.283 -2.606 1.00 34.15 H new ATOM 0 HB VAL A 56 -6.076 -6.158 -2.190 1.00 53.24 H new ATOM 0 HG11 VAL A 56 -5.226 -6.278 0.134 1.00 25.10 H new ATOM 0 HG12 VAL A 56 -4.016 -6.840 -1.045 1.00 25.10 H new ATOM 0 HG13 VAL A 56 -3.864 -5.224 -0.315 1.00 25.10 H new ATOM 0 HG21 VAL A 56 -6.909 -4.549 -0.513 1.00 10.24 H new ATOM 0 HG22 VAL A 56 -5.644 -3.395 -0.998 1.00 10.24 H new ATOM 0 HG23 VAL A 56 -6.914 -3.861 -2.154 1.00 10.24 H new ATOM 938 N ARG A 57 -2.563 -6.297 -3.527 1.00 12.21 N ATOM 939 CA ARG A 57 -1.782 -7.378 -4.126 1.00 1.42 C ATOM 940 C ARG A 57 -0.944 -8.064 -3.042 1.00 32.40 C ATOM 941 O ARG A 57 -0.532 -7.434 -2.060 1.00 31.31 O ATOM 942 CB ARG A 57 -0.884 -6.821 -5.264 1.00 4.22 C ATOM 943 CG ARG A 57 -1.668 -6.219 -6.458 1.00 52.31 C ATOM 944 CD ARG A 57 -0.740 -5.684 -7.557 1.00 61.11 C ATOM 945 NE ARG A 57 -1.458 -5.161 -8.723 1.00 23.31 N ATOM 946 CZ ARG A 57 -0.953 -5.106 -9.968 1.00 41.22 C ATOM 947 NH1 ARG A 57 0.267 -5.570 -10.230 1.00 53.05 N ATOM 948 NH2 ARG A 57 -1.670 -4.586 -10.946 1.00 23.02 N ATOM 0 H ARG A 57 -2.000 -5.654 -2.970 1.00 12.21 H new ATOM 0 HA ARG A 57 -2.454 -8.117 -4.563 1.00 1.42 H new ATOM 0 HB2 ARG A 57 -0.228 -6.054 -4.851 1.00 4.22 H new ATOM 0 HB3 ARG A 57 -0.244 -7.623 -5.632 1.00 4.22 H new ATOM 0 HG2 ARG A 57 -2.324 -6.981 -6.879 1.00 52.31 H new ATOM 0 HG3 ARG A 57 -2.306 -5.411 -6.100 1.00 52.31 H new ATOM 0 HD2 ARG A 57 -0.114 -4.894 -7.141 1.00 61.11 H new ATOM 0 HD3 ARG A 57 -0.073 -6.483 -7.879 1.00 61.11 H new ATOM 0 HE ARG A 57 -2.407 -4.815 -8.580 1.00 23.31 H new ATOM 0 HH11 ARG A 57 0.831 -5.973 -9.482 1.00 53.05 H new ATOM 0 HH12 ARG A 57 0.638 -5.522 -11.179 1.00 53.05 H new ATOM 0 HH21 ARG A 57 -2.606 -4.227 -10.757 1.00 23.02 H new ATOM 0 HH22 ARG A 57 -1.289 -4.543 -11.891 1.00 23.02 H new ATOM 962 N LYS A 58 -0.698 -9.355 -3.242 1.00 52.31 N ATOM 963 CA LYS A 58 0.006 -10.216 -2.293 1.00 55.21 C ATOM 964 C LYS A 58 1.521 -10.149 -2.548 1.00 73.31 C ATOM 965 O LYS A 58 1.957 -10.201 -3.704 1.00 70.01 O ATOM 966 CB LYS A 58 -0.517 -11.663 -2.475 1.00 25.20 C ATOM 967 CG LYS A 58 0.068 -12.716 -1.503 1.00 15.14 C ATOM 968 CD LYS A 58 -0.542 -14.128 -1.720 1.00 31.24 C ATOM 969 CE LYS A 58 -2.087 -14.144 -1.626 1.00 33.23 C ATOM 970 NZ LYS A 58 -2.654 -15.503 -1.823 1.00 31.33 N ATOM 0 H LYS A 58 -0.989 -9.845 -4.088 1.00 52.31 H new ATOM 0 HA LYS A 58 -0.176 -9.885 -1.270 1.00 55.21 H new ATOM 0 HB2 LYS A 58 -1.601 -11.655 -2.363 1.00 25.20 H new ATOM 0 HB3 LYS A 58 -0.305 -11.981 -3.496 1.00 25.20 H new ATOM 0 HG2 LYS A 58 1.149 -12.766 -1.634 1.00 15.14 H new ATOM 0 HG3 LYS A 58 -0.114 -12.399 -0.476 1.00 15.14 H new ATOM 0 HD2 LYS A 58 -0.240 -14.501 -2.699 1.00 31.24 H new ATOM 0 HD3 LYS A 58 -0.132 -14.812 -0.977 1.00 31.24 H new ATOM 0 HE2 LYS A 58 -2.393 -13.764 -0.651 1.00 33.23 H new ATOM 0 HE3 LYS A 58 -2.501 -13.469 -2.375 1.00 33.23 H new ATOM 0 HZ1 LYS A 58 -3.647 -15.425 -2.121 1.00 31.33 H new ATOM 0 HZ2 LYS A 58 -2.111 -16.003 -2.556 1.00 31.33 H new ATOM 0 HZ3 LYS A 58 -2.601 -16.034 -0.930 1.00 31.33 H new ATOM 984 N VAL A 59 2.306 -10.019 -1.475 1.00 53.14 N ATOM 985 CA VAL A 59 3.780 -10.146 -1.510 1.00 1.20 C ATOM 986 C VAL A 59 4.222 -11.047 -0.370 1.00 22.41 C ATOM 987 O VAL A 59 3.443 -11.333 0.559 1.00 64.21 O ATOM 988 CB VAL A 59 4.535 -8.767 -1.399 1.00 32.13 C ATOM 989 CG1 VAL A 59 4.449 -7.969 -2.718 1.00 52.21 C ATOM 990 CG2 VAL A 59 4.008 -7.961 -0.190 1.00 43.13 C ATOM 0 H VAL A 59 1.940 -9.820 -0.544 1.00 53.14 H new ATOM 0 HA VAL A 59 4.040 -10.568 -2.481 1.00 1.20 H new ATOM 0 HB VAL A 59 5.593 -8.964 -1.227 1.00 32.13 H new ATOM 0 HG11 VAL A 59 4.980 -7.024 -2.607 1.00 52.21 H new ATOM 0 HG12 VAL A 59 4.902 -8.547 -3.523 1.00 52.21 H new ATOM 0 HG13 VAL A 59 3.404 -7.772 -2.957 1.00 52.21 H new ATOM 0 HG21 VAL A 59 4.539 -7.011 -0.127 1.00 43.13 H new ATOM 0 HG22 VAL A 59 2.942 -7.773 -0.315 1.00 43.13 H new ATOM 0 HG23 VAL A 59 4.171 -8.530 0.725 1.00 43.13 H new ATOM 1000 N LYS A 60 5.471 -11.494 -0.458 1.00 70.04 N ATOM 1001 CA LYS A 60 6.073 -12.388 0.526 1.00 20.25 C ATOM 1002 C LYS A 60 6.661 -11.575 1.703 1.00 3.31 C ATOM 1003 O LYS A 60 5.979 -11.353 2.713 1.00 45.12 O ATOM 1004 CB LYS A 60 7.132 -13.290 -0.164 1.00 72.41 C ATOM 1005 CG LYS A 60 6.590 -14.119 -1.351 1.00 12.55 C ATOM 1006 CD LYS A 60 7.709 -14.895 -2.074 1.00 3.12 C ATOM 1007 CE LYS A 60 7.211 -15.683 -3.295 1.00 72.55 C ATOM 1008 NZ LYS A 60 6.223 -16.733 -2.930 1.00 23.14 N ATOM 0 H LYS A 60 6.100 -11.244 -1.221 1.00 70.04 H new ATOM 0 HA LYS A 60 5.310 -13.043 0.946 1.00 20.25 H new ATOM 0 HB2 LYS A 60 7.950 -12.663 -0.518 1.00 72.41 H new ATOM 0 HB3 LYS A 60 7.550 -13.971 0.578 1.00 72.41 H new ATOM 0 HG2 LYS A 60 5.838 -14.820 -0.990 1.00 12.55 H new ATOM 0 HG3 LYS A 60 6.093 -13.456 -2.059 1.00 12.55 H new ATOM 0 HD2 LYS A 60 8.480 -14.194 -2.393 1.00 3.12 H new ATOM 0 HD3 LYS A 60 8.176 -15.585 -1.371 1.00 3.12 H new ATOM 0 HE2 LYS A 60 6.758 -14.994 -4.008 1.00 72.55 H new ATOM 0 HE3 LYS A 60 8.061 -16.147 -3.796 1.00 72.55 H new ATOM 0 HZ1 LYS A 60 5.944 -17.258 -3.783 1.00 23.14 H new ATOM 0 HZ2 LYS A 60 6.650 -17.388 -2.244 1.00 23.14 H new ATOM 0 HZ3 LYS A 60 5.384 -16.288 -2.507 1.00 23.14 H new ATOM 1022 N ASP A 61 7.903 -11.084 1.540 1.00 15.11 N ATOM 1023 CA ASP A 61 8.655 -10.380 2.605 1.00 61.50 C ATOM 1024 C ASP A 61 9.290 -9.098 2.049 1.00 40.51 C ATOM 1025 O ASP A 61 9.114 -8.784 0.871 1.00 12.32 O ATOM 1026 CB ASP A 61 9.739 -11.324 3.216 1.00 5.20 C ATOM 1027 CG ASP A 61 9.150 -12.401 4.143 1.00 33.41 C ATOM 1028 OD1 ASP A 61 8.607 -13.407 3.651 1.00 3.11 O ATOM 1029 OD2 ASP A 61 9.216 -12.242 5.377 1.00 63.13 O ATOM 0 H ASP A 61 8.419 -11.163 0.664 1.00 15.11 H new ATOM 0 HA ASP A 61 7.964 -10.099 3.399 1.00 61.50 H new ATOM 0 HB2 ASP A 61 10.287 -11.809 2.408 1.00 5.20 H new ATOM 0 HB3 ASP A 61 10.459 -10.726 3.775 1.00 5.20 H new ATOM 1034 N ASP A 62 10.051 -8.385 2.908 1.00 32.12 N ATOM 1035 CA ASP A 62 10.606 -7.034 2.621 1.00 42.44 C ATOM 1036 C ASP A 62 11.540 -7.024 1.390 1.00 13.34 C ATOM 1037 O ASP A 62 11.585 -6.032 0.652 1.00 42.44 O ATOM 1038 CB ASP A 62 11.354 -6.489 3.873 1.00 44.25 C ATOM 1039 CG ASP A 62 12.621 -7.290 4.239 1.00 15.40 C ATOM 1040 OD1 ASP A 62 12.489 -8.475 4.622 1.00 64.13 O ATOM 1041 OD2 ASP A 62 13.751 -6.748 4.138 1.00 51.10 O ATOM 0 H ASP A 62 10.303 -8.732 3.834 1.00 32.12 H new ATOM 0 HA ASP A 62 9.765 -6.383 2.384 1.00 42.44 H new ATOM 0 HB2 ASP A 62 11.631 -5.450 3.695 1.00 44.25 H new ATOM 0 HB3 ASP A 62 10.672 -6.496 4.724 1.00 44.25 H new ATOM 1046 N ASP A 63 12.274 -8.133 1.193 1.00 53.52 N ATOM 1047 CA ASP A 63 13.175 -8.317 0.032 1.00 45.24 C ATOM 1048 C ASP A 63 12.363 -8.357 -1.279 1.00 52.25 C ATOM 1049 O ASP A 63 12.791 -7.812 -2.300 1.00 34.11 O ATOM 1050 CB ASP A 63 14.039 -9.602 0.181 1.00 0.54 C ATOM 1051 CG ASP A 63 13.201 -10.886 0.277 1.00 45.34 C ATOM 1052 OD1 ASP A 63 12.533 -11.083 1.315 1.00 54.44 O ATOM 1053 OD2 ASP A 63 13.166 -11.685 -0.693 1.00 12.10 O ATOM 0 H ASP A 63 12.262 -8.929 1.831 1.00 53.52 H new ATOM 0 HA ASP A 63 13.854 -7.465 -0.003 1.00 45.24 H new ATOM 0 HB2 ASP A 63 14.714 -9.679 -0.671 1.00 0.54 H new ATOM 0 HB3 ASP A 63 14.660 -9.513 1.072 1.00 0.54 H new ATOM 1058 N ASP A 64 11.187 -9.001 -1.228 1.00 23.12 N ATOM 1059 CA ASP A 64 10.255 -9.065 -2.362 1.00 34.35 C ATOM 1060 C ASP A 64 9.622 -7.684 -2.611 1.00 54.04 C ATOM 1061 O ASP A 64 9.470 -7.271 -3.754 1.00 23.34 O ATOM 1062 CB ASP A 64 9.150 -10.118 -2.082 1.00 53.24 C ATOM 1063 CG ASP A 64 8.268 -10.424 -3.299 1.00 20.05 C ATOM 1064 OD1 ASP A 64 8.832 -10.776 -4.364 1.00 43.34 O ATOM 1065 OD2 ASP A 64 7.022 -10.364 -3.195 1.00 5.11 O ATOM 0 H ASP A 64 10.856 -9.492 -0.398 1.00 23.12 H new ATOM 0 HA ASP A 64 10.807 -9.361 -3.254 1.00 34.35 H new ATOM 0 HB2 ASP A 64 9.618 -11.042 -1.742 1.00 53.24 H new ATOM 0 HB3 ASP A 64 8.519 -9.762 -1.267 1.00 53.24 H new ATOM 1070 N ILE A 65 9.317 -6.989 -1.493 1.00 22.31 N ATOM 1071 CA ILE A 65 8.621 -5.678 -1.463 1.00 14.42 C ATOM 1072 C ILE A 65 9.439 -4.562 -2.146 1.00 43.40 C ATOM 1073 O ILE A 65 8.949 -3.915 -3.068 1.00 65.41 O ATOM 1074 CB ILE A 65 8.284 -5.267 0.027 1.00 35.14 C ATOM 1075 CG1 ILE A 65 7.207 -6.227 0.628 1.00 3.01 C ATOM 1076 CG2 ILE A 65 7.852 -3.780 0.146 1.00 11.41 C ATOM 1077 CD1 ILE A 65 6.919 -6.035 2.103 1.00 61.12 C ATOM 0 H ILE A 65 9.553 -7.331 -0.561 1.00 22.31 H new ATOM 0 HA ILE A 65 7.696 -5.796 -2.027 1.00 14.42 H new ATOM 0 HB ILE A 65 9.199 -5.368 0.610 1.00 35.14 H new ATOM 0 HG12 ILE A 65 6.278 -6.097 0.073 1.00 3.01 H new ATOM 0 HG13 ILE A 65 7.531 -7.255 0.469 1.00 3.01 H new ATOM 0 HG21 ILE A 65 7.632 -3.547 1.188 1.00 11.41 H new ATOM 0 HG22 ILE A 65 8.659 -3.137 -0.206 1.00 11.41 H new ATOM 0 HG23 ILE A 65 6.962 -3.610 -0.460 1.00 11.41 H new ATOM 0 HD11 ILE A 65 6.159 -6.749 2.421 1.00 61.12 H new ATOM 0 HD12 ILE A 65 7.832 -6.197 2.676 1.00 61.12 H new ATOM 0 HD13 ILE A 65 6.559 -5.021 2.274 1.00 61.12 H new ATOM 1089 N ASP A 66 10.683 -4.338 -1.686 1.00 55.02 N ATOM 1090 CA ASP A 66 11.543 -3.248 -2.210 1.00 3.32 C ATOM 1091 C ASP A 66 11.831 -3.470 -3.710 1.00 53.41 C ATOM 1092 O ASP A 66 11.878 -2.521 -4.501 1.00 44.24 O ATOM 1093 CB ASP A 66 12.860 -3.147 -1.396 1.00 4.31 C ATOM 1094 CG ASP A 66 13.707 -1.917 -1.792 1.00 0.55 C ATOM 1095 OD1 ASP A 66 13.380 -0.796 -1.363 1.00 72.34 O ATOM 1096 OD2 ASP A 66 14.686 -2.059 -2.546 1.00 63.21 O ATOM 0 H ASP A 66 11.120 -4.895 -0.952 1.00 55.02 H new ATOM 0 HA ASP A 66 11.013 -2.302 -2.101 1.00 3.32 H new ATOM 0 HB2 ASP A 66 12.623 -3.094 -0.333 1.00 4.31 H new ATOM 0 HB3 ASP A 66 13.447 -4.053 -1.547 1.00 4.31 H new ATOM 1101 N LYS A 67 11.950 -4.756 -4.076 1.00 34.23 N ATOM 1102 CA LYS A 67 12.119 -5.210 -5.462 1.00 15.21 C ATOM 1103 C LYS A 67 10.816 -4.989 -6.266 1.00 32.40 C ATOM 1104 O LYS A 67 10.865 -4.649 -7.446 1.00 5.12 O ATOM 1105 CB LYS A 67 12.509 -6.707 -5.435 1.00 11.43 C ATOM 1106 CG LYS A 67 12.657 -7.394 -6.815 1.00 71.31 C ATOM 1107 CD LYS A 67 13.071 -8.880 -6.692 1.00 74.53 C ATOM 1108 CE LYS A 67 12.099 -9.699 -5.819 1.00 63.30 C ATOM 1109 NZ LYS A 67 10.723 -9.706 -6.377 1.00 34.03 N ATOM 0 H LYS A 67 11.931 -5.522 -3.403 1.00 34.23 H new ATOM 0 HA LYS A 67 12.904 -4.636 -5.954 1.00 15.21 H new ATOM 0 HB2 LYS A 67 13.453 -6.807 -4.898 1.00 11.43 H new ATOM 0 HB3 LYS A 67 11.757 -7.248 -4.861 1.00 11.43 H new ATOM 0 HG2 LYS A 67 11.713 -7.326 -7.355 1.00 71.31 H new ATOM 0 HG3 LYS A 67 13.401 -6.860 -7.406 1.00 71.31 H new ATOM 0 HD2 LYS A 67 13.120 -9.323 -7.687 1.00 74.53 H new ATOM 0 HD3 LYS A 67 14.073 -8.940 -6.267 1.00 74.53 H new ATOM 0 HE2 LYS A 67 12.462 -10.723 -5.735 1.00 63.30 H new ATOM 0 HE3 LYS A 67 12.080 -9.285 -4.811 1.00 63.30 H new ATOM 0 HZ1 LYS A 67 10.094 -10.239 -5.743 1.00 34.03 H new ATOM 0 HZ2 LYS A 67 10.379 -8.728 -6.465 1.00 34.03 H new ATOM 0 HZ3 LYS A 67 10.731 -10.156 -7.315 1.00 34.03 H new ATOM 1123 N TRP A 68 9.669 -5.176 -5.580 1.00 40.00 N ATOM 1124 CA TRP A 68 8.312 -5.052 -6.158 1.00 25.24 C ATOM 1125 C TRP A 68 8.012 -3.600 -6.586 1.00 21.22 C ATOM 1126 O TRP A 68 7.312 -3.368 -7.569 1.00 12.40 O ATOM 1127 CB TRP A 68 7.265 -5.548 -5.120 1.00 45.42 C ATOM 1128 CG TRP A 68 5.890 -5.781 -5.668 1.00 74.23 C ATOM 1129 CD1 TRP A 68 5.436 -6.928 -6.240 1.00 52.34 C ATOM 1130 CD2 TRP A 68 4.792 -4.863 -5.670 1.00 2.53 C ATOM 1131 NE1 TRP A 68 4.134 -6.773 -6.625 1.00 4.04 N ATOM 1132 CE2 TRP A 68 3.715 -5.515 -6.279 1.00 21.51 C ATOM 1133 CE3 TRP A 68 4.618 -3.551 -5.214 1.00 53.54 C ATOM 1134 CZ2 TRP A 68 2.484 -4.909 -6.450 1.00 34.31 C ATOM 1135 CZ3 TRP A 68 3.389 -2.947 -5.381 1.00 5.10 C ATOM 1136 CH2 TRP A 68 2.332 -3.627 -5.998 1.00 54.45 C ATOM 0 H TRP A 68 9.659 -5.422 -4.590 1.00 40.00 H new ATOM 0 HA TRP A 68 8.255 -5.670 -7.054 1.00 25.24 H new ATOM 0 HB2 TRP A 68 7.626 -6.477 -4.678 1.00 45.42 H new ATOM 0 HB3 TRP A 68 7.200 -4.816 -4.315 1.00 45.42 H new ATOM 0 HD1 TRP A 68 6.018 -7.828 -6.371 1.00 52.34 H new ATOM 0 HE1 TRP A 68 3.566 -7.479 -7.094 1.00 4.04 H new ATOM 0 HE3 TRP A 68 5.431 -3.021 -4.740 1.00 53.54 H new ATOM 0 HZ2 TRP A 68 1.668 -5.432 -6.926 1.00 34.31 H new ATOM 0 HZ3 TRP A 68 3.240 -1.936 -5.031 1.00 5.10 H new ATOM 0 HH2 TRP A 68 1.380 -3.131 -6.119 1.00 54.45 H new ATOM 1147 N ILE A 69 8.550 -2.642 -5.839 1.00 22.02 N ATOM 1148 CA ILE A 69 8.429 -1.203 -6.155 1.00 21.22 C ATOM 1149 C ILE A 69 9.359 -0.848 -7.334 1.00 1.23 C ATOM 1150 O ILE A 69 8.950 -0.168 -8.298 1.00 72.50 O ATOM 1151 CB ILE A 69 8.736 -0.324 -4.867 1.00 64.33 C ATOM 1152 CG1 ILE A 69 7.464 -0.217 -3.957 1.00 71.34 C ATOM 1153 CG2 ILE A 69 9.304 1.079 -5.201 1.00 1.24 C ATOM 1154 CD1 ILE A 69 7.062 -1.488 -3.230 1.00 34.34 C ATOM 0 H ILE A 69 9.086 -2.831 -4.992 1.00 22.02 H new ATOM 0 HA ILE A 69 7.406 -0.981 -6.458 1.00 21.22 H new ATOM 0 HB ILE A 69 9.522 -0.842 -4.318 1.00 64.33 H new ATOM 0 HG12 ILE A 69 7.635 0.564 -3.216 1.00 71.34 H new ATOM 0 HG13 ILE A 69 6.626 0.107 -4.574 1.00 71.34 H new ATOM 0 HG21 ILE A 69 9.491 1.625 -4.277 1.00 1.24 H new ATOM 0 HG22 ILE A 69 10.237 0.972 -5.754 1.00 1.24 H new ATOM 0 HG23 ILE A 69 8.584 1.628 -5.808 1.00 1.24 H new ATOM 0 HD11 ILE A 69 6.171 -1.298 -2.631 1.00 34.34 H new ATOM 0 HD12 ILE A 69 6.850 -2.272 -3.957 1.00 34.34 H new ATOM 0 HD13 ILE A 69 7.876 -1.808 -2.579 1.00 34.34 H new ATOM 1166 N ASP A 70 10.594 -1.364 -7.249 1.00 70.25 N ATOM 1167 CA ASP A 70 11.665 -1.115 -8.223 1.00 63.24 C ATOM 1168 C ASP A 70 11.251 -1.555 -9.649 1.00 0.41 C ATOM 1169 O ASP A 70 11.451 -0.813 -10.623 1.00 2.44 O ATOM 1170 CB ASP A 70 12.958 -1.836 -7.757 1.00 3.52 C ATOM 1171 CG ASP A 70 14.138 -1.638 -8.718 1.00 31.12 C ATOM 1172 OD1 ASP A 70 14.741 -0.546 -8.713 1.00 12.41 O ATOM 1173 OD2 ASP A 70 14.473 -2.574 -9.472 1.00 35.30 O ATOM 0 H ASP A 70 10.881 -1.978 -6.486 1.00 70.25 H new ATOM 0 HA ASP A 70 11.856 -0.043 -8.273 1.00 63.24 H new ATOM 0 HB2 ASP A 70 13.236 -1.468 -6.769 1.00 3.52 H new ATOM 0 HB3 ASP A 70 12.756 -2.902 -7.655 1.00 3.52 H new ATOM 1178 N LYS A 71 10.650 -2.755 -9.740 1.00 71.00 N ATOM 1179 CA LYS A 71 10.185 -3.337 -11.014 1.00 53.00 C ATOM 1180 C LYS A 71 9.004 -2.550 -11.618 1.00 24.30 C ATOM 1181 O LYS A 71 8.940 -2.418 -12.837 1.00 11.00 O ATOM 1182 CB LYS A 71 9.837 -4.845 -10.837 1.00 54.03 C ATOM 1183 CG LYS A 71 8.740 -5.178 -9.783 1.00 31.45 C ATOM 1184 CD LYS A 71 7.365 -5.558 -10.387 1.00 34.31 C ATOM 1185 CE LYS A 71 7.399 -6.913 -11.110 1.00 0.04 C ATOM 1186 NZ LYS A 71 6.060 -7.309 -11.629 1.00 14.03 N ATOM 0 H LYS A 71 10.472 -3.350 -8.931 1.00 71.00 H new ATOM 0 HA LYS A 71 11.006 -3.260 -11.727 1.00 53.00 H new ATOM 0 HB2 LYS A 71 9.516 -5.238 -11.802 1.00 54.03 H new ATOM 0 HB3 LYS A 71 10.748 -5.377 -10.563 1.00 54.03 H new ATOM 0 HG2 LYS A 71 9.090 -6.002 -9.161 1.00 31.45 H new ATOM 0 HG3 LYS A 71 8.610 -4.317 -9.128 1.00 31.45 H new ATOM 0 HD2 LYS A 71 6.619 -5.591 -9.593 1.00 34.31 H new ATOM 0 HD3 LYS A 71 7.052 -4.783 -11.087 1.00 34.31 H new ATOM 0 HE2 LYS A 71 8.107 -6.864 -11.937 1.00 0.04 H new ATOM 0 HE3 LYS A 71 7.762 -7.679 -10.425 1.00 0.04 H new ATOM 0 HZ1 LYS A 71 6.132 -8.229 -12.109 1.00 14.03 H new ATOM 0 HZ2 LYS A 71 5.389 -7.383 -10.838 1.00 14.03 H new ATOM 0 HZ3 LYS A 71 5.723 -6.592 -12.303 1.00 14.03 H new ATOM 1200 N ILE A 72 8.088 -2.023 -10.761 1.00 54.34 N ATOM 1201 CA ILE A 72 6.943 -1.192 -11.221 1.00 12.21 C ATOM 1202 C ILE A 72 7.452 0.070 -11.931 1.00 1.44 C ATOM 1203 O ILE A 72 6.910 0.461 -12.959 1.00 14.11 O ATOM 1204 CB ILE A 72 5.967 -0.779 -10.039 1.00 52.55 C ATOM 1205 CG1 ILE A 72 5.158 -2.008 -9.526 1.00 63.20 C ATOM 1206 CG2 ILE A 72 4.995 0.366 -10.447 1.00 45.34 C ATOM 1207 CD1 ILE A 72 4.155 -1.687 -8.429 1.00 50.14 C ATOM 0 H ILE A 72 8.121 -2.159 -9.751 1.00 54.34 H new ATOM 0 HA ILE A 72 6.371 -1.807 -11.916 1.00 12.21 H new ATOM 0 HB ILE A 72 6.597 -0.406 -9.232 1.00 52.55 H new ATOM 0 HG12 ILE A 72 4.628 -2.455 -10.367 1.00 63.20 H new ATOM 0 HG13 ILE A 72 5.856 -2.758 -9.155 1.00 63.20 H new ATOM 0 HG21 ILE A 72 4.349 0.612 -9.605 1.00 45.34 H new ATOM 0 HG22 ILE A 72 5.570 1.247 -10.733 1.00 45.34 H new ATOM 0 HG23 ILE A 72 4.385 0.042 -11.290 1.00 45.34 H new ATOM 0 HD11 ILE A 72 3.637 -2.599 -8.132 1.00 50.14 H new ATOM 0 HD12 ILE A 72 4.678 -1.270 -7.569 1.00 50.14 H new ATOM 0 HD13 ILE A 72 3.430 -0.962 -8.799 1.00 50.14 H new ATOM 1219 N LYS A 73 8.507 0.679 -11.373 1.00 52.11 N ATOM 1220 CA LYS A 73 9.099 1.907 -11.941 1.00 12.33 C ATOM 1221 C LYS A 73 9.735 1.664 -13.330 1.00 24.33 C ATOM 1222 O LYS A 73 9.921 2.616 -14.093 1.00 0.53 O ATOM 1223 CB LYS A 73 10.117 2.508 -10.947 1.00 20.35 C ATOM 1224 CG LYS A 73 9.481 2.890 -9.595 1.00 60.30 C ATOM 1225 CD LYS A 73 10.471 3.557 -8.626 1.00 54.03 C ATOM 1226 CE LYS A 73 11.636 2.644 -8.214 1.00 72.24 C ATOM 1227 NZ LYS A 73 12.553 3.335 -7.272 1.00 43.12 N ATOM 0 H LYS A 73 8.971 0.344 -10.529 1.00 52.11 H new ATOM 0 HA LYS A 73 8.295 2.627 -12.097 1.00 12.33 H new ATOM 0 HB2 LYS A 73 10.918 1.789 -10.776 1.00 20.35 H new ATOM 0 HB3 LYS A 73 10.573 3.393 -11.392 1.00 20.35 H new ATOM 0 HG2 LYS A 73 8.645 3.566 -9.773 1.00 60.30 H new ATOM 0 HG3 LYS A 73 9.072 1.994 -9.127 1.00 60.30 H new ATOM 0 HD2 LYS A 73 10.873 4.457 -9.092 1.00 54.03 H new ATOM 0 HD3 LYS A 73 9.934 3.873 -7.732 1.00 54.03 H new ATOM 0 HE2 LYS A 73 11.245 1.740 -7.748 1.00 72.24 H new ATOM 0 HE3 LYS A 73 12.188 2.332 -9.101 1.00 72.24 H new ATOM 0 HZ1 LYS A 73 13.330 2.695 -7.011 1.00 43.12 H new ATOM 0 HZ2 LYS A 73 12.943 4.185 -7.728 1.00 43.12 H new ATOM 0 HZ3 LYS A 73 12.029 3.610 -6.417 1.00 43.12 H new ATOM 1241 N LYS A 74 10.060 0.394 -13.658 1.00 30.14 N ATOM 1242 CA LYS A 74 10.546 0.010 -14.999 1.00 13.01 C ATOM 1243 C LYS A 74 9.358 -0.277 -15.938 1.00 13.33 C ATOM 1244 O LYS A 74 9.359 0.144 -17.102 1.00 22.41 O ATOM 1245 CB LYS A 74 11.483 -1.225 -14.900 1.00 30.52 C ATOM 1246 CG LYS A 74 12.005 -1.749 -16.262 1.00 31.42 C ATOM 1247 CD LYS A 74 13.050 -2.880 -16.117 1.00 60.42 C ATOM 1248 CE LYS A 74 14.361 -2.403 -15.466 1.00 71.53 C ATOM 1249 NZ LYS A 74 15.322 -3.524 -15.254 1.00 50.13 N ATOM 0 H LYS A 74 9.993 -0.387 -13.005 1.00 30.14 H new ATOM 0 HA LYS A 74 11.117 0.840 -15.416 1.00 13.01 H new ATOM 0 HB2 LYS A 74 12.337 -0.968 -14.273 1.00 30.52 H new ATOM 0 HB3 LYS A 74 10.949 -2.031 -14.396 1.00 30.52 H new ATOM 0 HG2 LYS A 74 11.163 -2.113 -16.851 1.00 31.42 H new ATOM 0 HG3 LYS A 74 12.448 -0.922 -16.817 1.00 31.42 H new ATOM 0 HD2 LYS A 74 12.625 -3.686 -15.519 1.00 60.42 H new ATOM 0 HD3 LYS A 74 13.269 -3.295 -17.101 1.00 60.42 H new ATOM 0 HE2 LYS A 74 14.823 -1.644 -16.097 1.00 71.53 H new ATOM 0 HE3 LYS A 74 14.139 -1.930 -14.509 1.00 71.53 H new ATOM 0 HZ1 LYS A 74 16.190 -3.158 -14.814 1.00 50.13 H new ATOM 0 HZ2 LYS A 74 14.892 -4.237 -14.631 1.00 50.13 H new ATOM 0 HZ3 LYS A 74 15.555 -3.959 -16.169 1.00 50.13 H new ATOM 1263 N GLU A 75 8.352 -1.005 -15.412 1.00 11.13 N ATOM 1264 CA GLU A 75 7.109 -1.348 -16.146 1.00 41.42 C ATOM 1265 C GLU A 75 6.324 -0.075 -16.521 1.00 33.13 C ATOM 1266 O GLU A 75 5.706 0.012 -17.590 1.00 63.44 O ATOM 1267 CB GLU A 75 6.214 -2.274 -15.266 1.00 41.01 C ATOM 1268 CG GLU A 75 6.846 -3.630 -14.871 1.00 42.43 C ATOM 1269 CD GLU A 75 7.116 -4.564 -16.066 1.00 11.13 C ATOM 1270 OE1 GLU A 75 6.214 -5.348 -16.437 1.00 22.43 O ATOM 1271 OE2 GLU A 75 8.231 -4.525 -16.633 1.00 12.31 O ATOM 0 H GLU A 75 8.376 -1.375 -14.462 1.00 11.13 H new ATOM 0 HA GLU A 75 7.385 -1.869 -17.063 1.00 41.42 H new ATOM 0 HB2 GLU A 75 5.950 -1.737 -14.355 1.00 41.01 H new ATOM 0 HB3 GLU A 75 5.285 -2.468 -15.802 1.00 41.01 H new ATOM 0 HG2 GLU A 75 7.784 -3.444 -14.348 1.00 42.43 H new ATOM 0 HG3 GLU A 75 6.185 -4.137 -14.168 1.00 42.43 H new ATOM 1278 N ARG A 76 6.376 0.906 -15.610 1.00 23.13 N ATOM 1279 CA ARG A 76 5.582 2.140 -15.650 1.00 20.23 C ATOM 1280 C ARG A 76 6.450 3.308 -15.117 1.00 22.51 C ATOM 1281 O ARG A 76 6.354 3.667 -13.938 1.00 64.11 O ATOM 1282 CB ARG A 76 4.287 1.955 -14.796 1.00 14.11 C ATOM 1283 CG ARG A 76 3.275 0.917 -15.364 1.00 30.24 C ATOM 1284 CD ARG A 76 2.389 0.265 -14.299 1.00 42.45 C ATOM 1285 NE ARG A 76 1.444 1.188 -13.657 1.00 20.12 N ATOM 1286 CZ ARG A 76 0.685 0.862 -12.593 1.00 72.10 C ATOM 1287 NH1 ARG A 76 0.778 -0.349 -12.050 1.00 52.34 N ATOM 1288 NH2 ARG A 76 -0.169 1.752 -12.086 1.00 54.52 N ATOM 0 H ARG A 76 6.992 0.860 -14.799 1.00 23.13 H new ATOM 0 HA ARG A 76 5.279 2.369 -16.672 1.00 20.23 H new ATOM 0 HB2 ARG A 76 4.573 1.650 -13.789 1.00 14.11 H new ATOM 0 HB3 ARG A 76 3.786 2.919 -14.707 1.00 14.11 H new ATOM 0 HG2 ARG A 76 2.639 1.410 -16.099 1.00 30.24 H new ATOM 0 HG3 ARG A 76 3.826 0.138 -15.890 1.00 30.24 H new ATOM 0 HD2 ARG A 76 1.829 -0.550 -14.757 1.00 42.45 H new ATOM 0 HD3 ARG A 76 3.026 -0.177 -13.533 1.00 42.45 H new ATOM 0 HE ARG A 76 1.357 2.130 -14.039 1.00 20.12 H new ATOM 0 HH11 ARG A 76 1.426 -1.034 -12.439 1.00 52.34 H new ATOM 0 HH12 ARG A 76 0.202 -0.592 -11.244 1.00 52.34 H new ATOM 0 HH21 ARG A 76 -0.247 2.679 -12.504 1.00 54.52 H new ATOM 0 HH22 ARG A 76 -0.744 1.506 -11.280 1.00 54.52 H new ATOM 1302 N PRO A 77 7.356 3.892 -15.968 1.00 4.31 N ATOM 1303 CA PRO A 77 8.191 5.065 -15.576 1.00 61.25 C ATOM 1304 C PRO A 77 7.387 6.379 -15.434 1.00 72.33 C ATOM 1305 O PRO A 77 7.941 7.416 -15.040 1.00 40.41 O ATOM 1306 CB PRO A 77 9.233 5.157 -16.723 1.00 32.21 C ATOM 1307 CG PRO A 77 8.560 4.531 -17.912 1.00 45.21 C ATOM 1308 CD PRO A 77 7.680 3.428 -17.353 1.00 72.42 C ATOM 0 HA PRO A 77 8.634 4.932 -14.589 1.00 61.25 H new ATOM 0 HB2 PRO A 77 9.507 6.192 -16.925 1.00 32.21 H new ATOM 0 HB3 PRO A 77 10.151 4.628 -16.466 1.00 32.21 H new ATOM 0 HG2 PRO A 77 7.968 5.265 -18.458 1.00 45.21 H new ATOM 0 HG3 PRO A 77 9.294 4.130 -18.611 1.00 45.21 H new ATOM 0 HD2 PRO A 77 6.778 3.295 -17.951 1.00 72.42 H new ATOM 0 HD3 PRO A 77 8.199 2.470 -17.342 1.00 72.42 H new ATOM 1316 N GLN A 78 6.084 6.332 -15.748 1.00 15.20 N ATOM 1317 CA GLN A 78 5.202 7.510 -15.690 1.00 72.12 C ATOM 1318 C GLN A 78 4.892 7.950 -14.252 1.00 14.54 C ATOM 1319 O GLN A 78 4.534 9.109 -14.031 1.00 24.44 O ATOM 1320 CB GLN A 78 3.881 7.227 -16.449 1.00 42.02 C ATOM 1321 CG GLN A 78 3.043 6.050 -15.904 1.00 43.12 C ATOM 1322 CD GLN A 78 1.696 5.867 -16.608 1.00 72.14 C ATOM 1323 OE1 GLN A 78 1.032 6.964 -16.952 1.00 23.21 O flip ATOM 1324 NE2 GLN A 78 1.225 4.745 -16.796 1.00 20.53 N flip ATOM 0 H GLN A 78 5.612 5.479 -16.049 1.00 15.20 H new ATOM 0 HA GLN A 78 5.738 8.329 -16.169 1.00 72.12 H new ATOM 0 HB2 GLN A 78 3.268 8.128 -16.426 1.00 42.02 H new ATOM 0 HB3 GLN A 78 4.118 7.029 -17.494 1.00 42.02 H new ATOM 0 HG2 GLN A 78 3.620 5.131 -16.001 1.00 43.12 H new ATOM 0 HG3 GLN A 78 2.867 6.205 -14.839 1.00 43.12 H new ATOM 0 HE21 GLN A 78 1.755 3.917 -16.523 1.00 20.53 H new ATOM 0 HE22 GLN A 78 0.305 4.643 -17.225 1.00 20.53 H new ATOM 1333 N LEU A 79 5.033 7.037 -13.271 1.00 44.42 N ATOM 1334 CA LEU A 79 4.547 7.273 -11.897 1.00 21.41 C ATOM 1335 C LEU A 79 5.666 7.286 -10.845 1.00 74.33 C ATOM 1336 O LEU A 79 6.667 6.575 -10.965 1.00 32.51 O ATOM 1337 CB LEU A 79 3.402 6.265 -11.536 1.00 10.03 C ATOM 1338 CG LEU A 79 3.567 4.766 -11.978 1.00 64.23 C ATOM 1339 CD1 LEU A 79 4.646 4.019 -11.179 1.00 32.22 C ATOM 1340 CD2 LEU A 79 2.225 4.022 -11.889 1.00 31.22 C ATOM 0 H LEU A 79 5.479 6.130 -13.404 1.00 44.42 H new ATOM 0 HA LEU A 79 4.132 8.281 -11.877 1.00 21.41 H new ATOM 0 HB2 LEU A 79 3.273 6.281 -10.454 1.00 10.03 H new ATOM 0 HB3 LEU A 79 2.477 6.641 -11.973 1.00 10.03 H new ATOM 0 HG LEU A 79 3.900 4.786 -13.016 1.00 64.23 H new ATOM 0 HD11 LEU A 79 4.712 2.989 -11.531 1.00 32.22 H new ATOM 0 HD12 LEU A 79 5.608 4.512 -11.318 1.00 32.22 H new ATOM 0 HD13 LEU A 79 4.384 4.025 -10.121 1.00 32.22 H new ATOM 0 HD21 LEU A 79 2.362 2.986 -12.199 1.00 31.22 H new ATOM 0 HD22 LEU A 79 1.862 4.048 -10.862 1.00 31.22 H new ATOM 0 HD23 LEU A 79 1.498 4.504 -12.543 1.00 31.22 H new ATOM 1352 N GLU A 80 5.471 8.151 -9.833 1.00 20.04 N ATOM 1353 CA GLU A 80 6.285 8.189 -8.613 1.00 13.12 C ATOM 1354 C GLU A 80 5.750 7.149 -7.625 1.00 64.43 C ATOM 1355 O GLU A 80 4.537 7.067 -7.421 1.00 51.05 O ATOM 1356 CB GLU A 80 6.228 9.605 -7.974 1.00 45.32 C ATOM 1357 CG GLU A 80 6.795 10.731 -8.858 1.00 41.53 C ATOM 1358 CD GLU A 80 8.264 10.503 -9.257 1.00 53.12 C ATOM 1359 OE1 GLU A 80 9.147 10.622 -8.382 1.00 22.13 O ATOM 1360 OE2 GLU A 80 8.541 10.211 -10.440 1.00 13.45 O ATOM 0 H GLU A 80 4.731 8.853 -9.844 1.00 20.04 H new ATOM 0 HA GLU A 80 7.322 7.962 -8.861 1.00 13.12 H new ATOM 0 HB2 GLU A 80 5.191 9.838 -7.732 1.00 45.32 H new ATOM 0 HB3 GLU A 80 6.779 9.587 -7.034 1.00 45.32 H new ATOM 0 HG2 GLU A 80 6.189 10.817 -9.760 1.00 41.53 H new ATOM 0 HG3 GLU A 80 6.712 11.679 -8.326 1.00 41.53 H new ATOM 1367 N VAL A 81 6.649 6.358 -7.024 1.00 21.53 N ATOM 1368 CA VAL A 81 6.282 5.320 -6.047 1.00 3.10 C ATOM 1369 C VAL A 81 6.951 5.626 -4.698 1.00 55.13 C ATOM 1370 O VAL A 81 8.146 5.934 -4.653 1.00 11.13 O ATOM 1371 CB VAL A 81 6.705 3.876 -6.524 1.00 51.53 C ATOM 1372 CG1 VAL A 81 6.115 2.800 -5.590 1.00 2.45 C ATOM 1373 CG2 VAL A 81 6.302 3.609 -7.993 1.00 54.30 C ATOM 0 H VAL A 81 7.652 6.418 -7.200 1.00 21.53 H new ATOM 0 HA VAL A 81 5.197 5.332 -5.947 1.00 3.10 H new ATOM 0 HB VAL A 81 7.793 3.823 -6.474 1.00 51.53 H new ATOM 0 HG11 VAL A 81 6.418 1.812 -5.936 1.00 2.45 H new ATOM 0 HG12 VAL A 81 6.482 2.958 -4.576 1.00 2.45 H new ATOM 0 HG13 VAL A 81 5.027 2.869 -5.597 1.00 2.45 H new ATOM 0 HG21 VAL A 81 6.613 2.604 -8.279 1.00 54.30 H new ATOM 0 HG22 VAL A 81 5.220 3.697 -8.095 1.00 54.30 H new ATOM 0 HG23 VAL A 81 6.789 4.337 -8.642 1.00 54.30 H new ATOM 1383 N ARG A 82 6.174 5.553 -3.610 1.00 52.55 N ATOM 1384 CA ARG A 82 6.676 5.688 -2.234 1.00 52.25 C ATOM 1385 C ARG A 82 6.219 4.469 -1.413 1.00 13.30 C ATOM 1386 O ARG A 82 5.033 4.122 -1.435 1.00 30.00 O ATOM 1387 CB ARG A 82 6.165 7.018 -1.606 1.00 64.01 C ATOM 1388 CG ARG A 82 6.571 7.250 -0.130 1.00 12.25 C ATOM 1389 CD ARG A 82 8.098 7.288 0.082 1.00 30.12 C ATOM 1390 NE ARG A 82 8.750 8.374 -0.675 1.00 31.52 N ATOM 1391 CZ ARG A 82 10.064 8.661 -0.641 1.00 72.31 C ATOM 1392 NH1 ARG A 82 10.906 7.952 0.105 1.00 11.13 N ATOM 1393 NH2 ARG A 82 10.537 9.670 -1.363 1.00 35.43 N ATOM 0 H ARG A 82 5.167 5.397 -3.660 1.00 52.55 H new ATOM 0 HA ARG A 82 7.765 5.721 -2.235 1.00 52.25 H new ATOM 0 HB2 ARG A 82 6.538 7.850 -2.204 1.00 64.01 H new ATOM 0 HB3 ARG A 82 5.077 7.039 -1.674 1.00 64.01 H new ATOM 0 HG2 ARG A 82 6.139 8.189 0.215 1.00 12.25 H new ATOM 0 HG3 ARG A 82 6.145 6.458 0.486 1.00 12.25 H new ATOM 0 HD2 ARG A 82 8.311 7.412 1.144 1.00 30.12 H new ATOM 0 HD3 ARG A 82 8.527 6.332 -0.219 1.00 30.12 H new ATOM 0 HE ARG A 82 8.158 8.953 -1.271 1.00 31.52 H new ATOM 0 HH11 ARG A 82 10.559 7.174 0.666 1.00 11.13 H new ATOM 0 HH12 ARG A 82 11.899 8.186 0.116 1.00 11.13 H new ATOM 0 HH21 ARG A 82 9.905 10.224 -1.941 1.00 35.43 H new ATOM 0 HH22 ARG A 82 11.533 9.891 -1.340 1.00 35.43 H new ATOM 1407 N LYS A 83 7.171 3.815 -0.715 1.00 35.41 N ATOM 1408 CA LYS A 83 6.880 2.675 0.172 1.00 1.43 C ATOM 1409 C LYS A 83 6.475 3.193 1.552 1.00 51.10 C ATOM 1410 O LYS A 83 7.063 4.160 2.054 1.00 4.32 O ATOM 1411 CB LYS A 83 8.099 1.732 0.353 1.00 54.23 C ATOM 1412 CG LYS A 83 8.735 1.221 -0.948 1.00 52.40 C ATOM 1413 CD LYS A 83 9.705 0.035 -0.719 1.00 10.34 C ATOM 1414 CE LYS A 83 10.805 0.342 0.316 1.00 44.33 C ATOM 1415 NZ LYS A 83 11.691 1.460 -0.115 1.00 51.31 N ATOM 0 H LYS A 83 8.160 4.063 -0.752 1.00 35.41 H new ATOM 0 HA LYS A 83 6.075 2.109 -0.296 1.00 1.43 H new ATOM 0 HB2 LYS A 83 8.861 2.258 0.928 1.00 54.23 H new ATOM 0 HB3 LYS A 83 7.787 0.873 0.947 1.00 54.23 H new ATOM 0 HG2 LYS A 83 7.947 0.912 -1.635 1.00 52.40 H new ATOM 0 HG3 LYS A 83 9.274 2.038 -1.428 1.00 52.40 H new ATOM 0 HD2 LYS A 83 9.135 -0.833 -0.388 1.00 10.34 H new ATOM 0 HD3 LYS A 83 10.172 -0.233 -1.667 1.00 10.34 H new ATOM 0 HE2 LYS A 83 10.343 0.595 1.270 1.00 44.33 H new ATOM 0 HE3 LYS A 83 11.406 -0.552 0.480 1.00 44.33 H new ATOM 0 HZ1 LYS A 83 12.671 1.119 -0.184 1.00 51.31 H new ATOM 0 HZ2 LYS A 83 11.380 1.811 -1.043 1.00 51.31 H new ATOM 0 HZ3 LYS A 83 11.641 2.231 0.581 1.00 51.31 H new ATOM 1429 N VAL A 84 5.463 2.563 2.139 1.00 32.02 N ATOM 1430 CA VAL A 84 5.088 2.767 3.537 1.00 64.13 C ATOM 1431 C VAL A 84 5.207 1.424 4.269 1.00 20.13 C ATOM 1432 O VAL A 84 4.261 0.643 4.311 1.00 71.24 O ATOM 1433 CB VAL A 84 3.623 3.328 3.629 1.00 34.52 C ATOM 1434 CG1 VAL A 84 3.170 3.493 5.091 1.00 10.04 C ATOM 1435 CG2 VAL A 84 3.486 4.651 2.840 1.00 43.22 C ATOM 0 H VAL A 84 4.872 1.888 1.653 1.00 32.02 H new ATOM 0 HA VAL A 84 5.751 3.496 4.003 1.00 64.13 H new ATOM 0 HB VAL A 84 2.959 2.596 3.169 1.00 34.52 H new ATOM 0 HG11 VAL A 84 2.152 3.883 5.115 1.00 10.04 H new ATOM 0 HG12 VAL A 84 3.200 2.526 5.593 1.00 10.04 H new ATOM 0 HG13 VAL A 84 3.837 4.187 5.602 1.00 10.04 H new ATOM 0 HG21 VAL A 84 2.463 5.018 2.920 1.00 43.22 H new ATOM 0 HG22 VAL A 84 4.171 5.393 3.252 1.00 43.22 H new ATOM 0 HG23 VAL A 84 3.728 4.476 1.792 1.00 43.22 H new ATOM 1445 N THR A 85 6.388 1.154 4.827 1.00 60.55 N ATOM 1446 CA THR A 85 6.666 -0.105 5.548 1.00 53.11 C ATOM 1447 C THR A 85 6.292 0.008 7.041 1.00 45.23 C ATOM 1448 O THR A 85 6.242 -0.996 7.761 1.00 20.23 O ATOM 1449 CB THR A 85 8.164 -0.502 5.384 1.00 35.10 C ATOM 1450 OG1 THR A 85 9.004 0.617 5.709 1.00 13.30 O ATOM 1451 CG2 THR A 85 8.483 -0.984 3.956 1.00 52.02 C ATOM 0 H THR A 85 7.181 1.795 4.796 1.00 60.55 H new ATOM 0 HA THR A 85 6.046 -0.888 5.111 1.00 53.11 H new ATOM 0 HB THR A 85 8.358 -1.329 6.067 1.00 35.10 H new ATOM 0 HG1 THR A 85 8.455 1.346 6.067 1.00 13.30 H new ATOM 0 HG21 THR A 85 9.538 -1.250 3.889 1.00 52.02 H new ATOM 0 HG22 THR A 85 7.873 -1.857 3.722 1.00 52.02 H new ATOM 0 HG23 THR A 85 8.264 -0.187 3.245 1.00 52.02 H new ATOM 1459 N ASP A 86 6.002 1.244 7.473 1.00 72.12 N ATOM 1460 CA ASP A 86 5.684 1.568 8.873 1.00 13.45 C ATOM 1461 C ASP A 86 4.588 2.648 8.941 1.00 43.34 C ATOM 1462 O ASP A 86 4.506 3.506 8.058 1.00 34.42 O ATOM 1463 CB ASP A 86 6.973 2.049 9.591 1.00 14.22 C ATOM 1464 CG ASP A 86 6.758 2.378 11.077 1.00 72.01 C ATOM 1465 OD1 ASP A 86 6.728 1.450 11.903 1.00 33.35 O ATOM 1466 OD2 ASP A 86 6.610 3.562 11.426 1.00 4.41 O ATOM 0 H ASP A 86 5.981 2.055 6.855 1.00 72.12 H new ATOM 0 HA ASP A 86 5.306 0.677 9.374 1.00 13.45 H new ATOM 0 HB2 ASP A 86 7.738 1.277 9.504 1.00 14.22 H new ATOM 0 HB3 ASP A 86 7.355 2.934 9.082 1.00 14.22 H new ATOM 1471 N GLU A 87 3.780 2.580 10.019 1.00 52.03 N ATOM 1472 CA GLU A 87 2.646 3.485 10.303 1.00 23.33 C ATOM 1473 C GLU A 87 3.022 4.982 10.222 1.00 23.53 C ATOM 1474 O GLU A 87 2.282 5.769 9.625 1.00 51.31 O ATOM 1475 CB GLU A 87 2.095 3.172 11.715 1.00 52.14 C ATOM 1476 CG GLU A 87 0.966 4.110 12.190 1.00 61.21 C ATOM 1477 CD GLU A 87 0.643 3.956 13.680 1.00 43.05 C ATOM 1478 OE1 GLU A 87 0.020 2.947 14.058 1.00 41.05 O ATOM 1479 OE2 GLU A 87 1.037 4.835 14.481 1.00 22.45 O ATOM 0 H GLU A 87 3.903 1.870 10.741 1.00 52.03 H new ATOM 0 HA GLU A 87 1.893 3.308 9.535 1.00 23.33 H new ATOM 0 HB2 GLU A 87 1.726 2.147 11.727 1.00 52.14 H new ATOM 0 HB3 GLU A 87 2.916 3.223 12.430 1.00 52.14 H new ATOM 0 HG2 GLU A 87 1.252 5.143 11.991 1.00 61.21 H new ATOM 0 HG3 GLU A 87 0.067 3.911 11.607 1.00 61.21 H new ATOM 1486 N ASP A 88 4.169 5.349 10.836 1.00 65.21 N ATOM 1487 CA ASP A 88 4.648 6.753 10.921 1.00 53.23 C ATOM 1488 C ASP A 88 4.800 7.389 9.523 1.00 31.35 C ATOM 1489 O ASP A 88 4.547 8.587 9.346 1.00 52.41 O ATOM 1490 CB ASP A 88 5.989 6.803 11.698 1.00 41.53 C ATOM 1491 CG ASP A 88 6.538 8.230 11.885 1.00 21.42 C ATOM 1492 OD1 ASP A 88 6.051 8.948 12.785 1.00 64.04 O ATOM 1493 OD2 ASP A 88 7.443 8.652 11.134 1.00 22.13 O ATOM 0 H ASP A 88 4.792 4.681 11.289 1.00 65.21 H new ATOM 0 HA ASP A 88 3.901 7.336 11.459 1.00 53.23 H new ATOM 0 HB2 ASP A 88 5.850 6.345 12.677 1.00 41.53 H new ATOM 0 HB3 ASP A 88 6.729 6.204 11.168 1.00 41.53 H new ATOM 1498 N GLN A 89 5.177 6.554 8.536 1.00 3.10 N ATOM 1499 CA GLN A 89 5.318 6.974 7.129 1.00 21.34 C ATOM 1500 C GLN A 89 3.942 7.290 6.512 1.00 0.31 C ATOM 1501 O GLN A 89 3.803 8.279 5.792 1.00 21.32 O ATOM 1502 CB GLN A 89 6.045 5.875 6.308 1.00 42.02 C ATOM 1503 CG GLN A 89 7.461 5.556 6.814 1.00 61.41 C ATOM 1504 CD GLN A 89 8.163 4.476 5.994 1.00 34.34 C ATOM 1505 OE1 GLN A 89 8.060 3.228 6.417 1.00 45.12 O flip ATOM 1506 NE2 GLN A 89 8.807 4.762 4.989 1.00 44.03 N flip ATOM 0 H GLN A 89 5.392 5.569 8.692 1.00 3.10 H new ATOM 0 HA GLN A 89 5.919 7.883 7.101 1.00 21.34 H new ATOM 0 HB2 GLN A 89 5.448 4.964 6.330 1.00 42.02 H new ATOM 0 HB3 GLN A 89 6.104 6.192 5.267 1.00 42.02 H new ATOM 0 HG2 GLN A 89 8.061 6.466 6.794 1.00 61.41 H new ATOM 0 HG3 GLN A 89 7.405 5.234 7.854 1.00 61.41 H new ATOM 0 HE21 GLN A 89 8.871 5.733 4.683 1.00 44.03 H new ATOM 0 HE22 GLN A 89 9.278 4.029 4.459 1.00 44.03 H new ATOM 1515 N ALA A 90 2.931 6.455 6.837 1.00 4.25 N ATOM 1516 CA ALA A 90 1.540 6.632 6.357 1.00 33.42 C ATOM 1517 C ALA A 90 0.927 7.937 6.891 1.00 65.41 C ATOM 1518 O ALA A 90 0.184 8.614 6.179 1.00 61.13 O ATOM 1519 CB ALA A 90 0.670 5.431 6.768 1.00 33.51 C ATOM 0 H ALA A 90 3.054 5.640 7.438 1.00 4.25 H new ATOM 0 HA ALA A 90 1.570 6.691 5.269 1.00 33.42 H new ATOM 0 HB1 ALA A 90 -0.348 5.579 6.407 1.00 33.51 H new ATOM 0 HB2 ALA A 90 1.080 4.519 6.334 1.00 33.51 H new ATOM 0 HB3 ALA A 90 0.661 5.343 7.854 1.00 33.51 H new ATOM 1525 N LYS A 91 1.270 8.277 8.146 1.00 51.53 N ATOM 1526 CA LYS A 91 0.762 9.481 8.832 1.00 45.12 C ATOM 1527 C LYS A 91 1.452 10.752 8.302 1.00 42.22 C ATOM 1528 O LYS A 91 0.821 11.806 8.183 1.00 64.13 O ATOM 1529 CB LYS A 91 0.982 9.336 10.364 1.00 75.41 C ATOM 1530 CG LYS A 91 0.335 8.068 10.973 1.00 43.34 C ATOM 1531 CD LYS A 91 0.616 7.886 12.481 1.00 64.33 C ATOM 1532 CE LYS A 91 -0.048 8.957 13.355 1.00 4.11 C ATOM 1533 NZ LYS A 91 0.248 8.752 14.800 1.00 50.25 N ATOM 0 H LYS A 91 1.909 7.723 8.716 1.00 51.53 H new ATOM 0 HA LYS A 91 -0.305 9.577 8.630 1.00 45.12 H new ATOM 0 HB2 LYS A 91 2.053 9.319 10.567 1.00 75.41 H new ATOM 0 HB3 LYS A 91 0.576 10.215 10.864 1.00 75.41 H new ATOM 0 HG2 LYS A 91 -0.743 8.111 10.817 1.00 43.34 H new ATOM 0 HG3 LYS A 91 0.700 7.192 10.437 1.00 43.34 H new ATOM 0 HD2 LYS A 91 0.264 6.903 12.793 1.00 64.33 H new ATOM 0 HD3 LYS A 91 1.693 7.907 12.648 1.00 64.33 H new ATOM 0 HE2 LYS A 91 0.300 9.943 13.049 1.00 4.11 H new ATOM 0 HE3 LYS A 91 -1.126 8.937 13.198 1.00 4.11 H new ATOM 0 HZ1 LYS A 91 -0.218 9.495 15.359 1.00 50.25 H new ATOM 0 HZ2 LYS A 91 -0.107 7.821 15.098 1.00 50.25 H new ATOM 0 HZ3 LYS A 91 1.276 8.796 14.954 1.00 50.25 H new ATOM 1547 N GLN A 92 2.746 10.627 7.965 1.00 1.13 N ATOM 1548 CA GLN A 92 3.577 11.764 7.527 1.00 14.25 C ATOM 1549 C GLN A 92 3.167 12.186 6.098 1.00 51.23 C ATOM 1550 O GLN A 92 2.968 13.379 5.825 1.00 13.25 O ATOM 1551 CB GLN A 92 5.095 11.375 7.593 1.00 44.53 C ATOM 1552 CG GLN A 92 6.096 12.546 7.798 1.00 51.22 C ATOM 1553 CD GLN A 92 6.103 13.591 6.673 1.00 71.13 C ATOM 1554 OE1 GLN A 92 6.819 13.451 5.682 1.00 72.55 O ATOM 1555 NE2 GLN A 92 5.340 14.669 6.836 1.00 53.11 N ATOM 0 H GLN A 92 3.246 9.738 7.988 1.00 1.13 H new ATOM 0 HA GLN A 92 3.419 12.612 8.193 1.00 14.25 H new ATOM 0 HB2 GLN A 92 5.231 10.662 8.406 1.00 44.53 H new ATOM 0 HB3 GLN A 92 5.357 10.859 6.669 1.00 44.53 H new ATOM 0 HG2 GLN A 92 5.861 13.046 8.738 1.00 51.22 H new ATOM 0 HG3 GLN A 92 7.100 12.134 7.898 1.00 51.22 H new ATOM 0 HE21 GLN A 92 4.756 14.759 7.667 1.00 53.11 H new ATOM 0 HE22 GLN A 92 5.339 15.405 6.130 1.00 53.11 H new ATOM 1564 N ILE A 93 3.045 11.194 5.190 1.00 54.41 N ATOM 1565 CA ILE A 93 2.700 11.460 3.777 1.00 25.33 C ATOM 1566 C ILE A 93 1.315 12.123 3.605 1.00 34.12 C ATOM 1567 O ILE A 93 1.086 12.793 2.607 1.00 44.50 O ATOM 1568 CB ILE A 93 2.824 10.192 2.860 1.00 3.40 C ATOM 1569 CG1 ILE A 93 1.834 9.083 3.302 1.00 24.03 C ATOM 1570 CG2 ILE A 93 4.290 9.675 2.827 1.00 51.34 C ATOM 1571 CD1 ILE A 93 1.888 7.827 2.460 1.00 3.43 C ATOM 0 H ILE A 93 3.179 10.207 5.409 1.00 54.41 H new ATOM 0 HA ILE A 93 3.450 12.177 3.443 1.00 25.33 H new ATOM 0 HB ILE A 93 2.554 10.479 1.844 1.00 3.40 H new ATOM 0 HG12 ILE A 93 2.041 8.820 4.339 1.00 24.03 H new ATOM 0 HG13 ILE A 93 0.821 9.484 3.271 1.00 24.03 H new ATOM 0 HG21 ILE A 93 4.351 8.796 2.185 1.00 51.34 H new ATOM 0 HG22 ILE A 93 4.942 10.456 2.436 1.00 51.34 H new ATOM 0 HG23 ILE A 93 4.605 9.410 3.836 1.00 51.34 H new ATOM 0 HD11 ILE A 93 1.165 7.104 2.838 1.00 3.43 H new ATOM 0 HD12 ILE A 93 1.650 8.072 1.425 1.00 3.43 H new ATOM 0 HD13 ILE A 93 2.889 7.398 2.510 1.00 3.43 H new ATOM 1583 N LEU A 94 0.404 11.942 4.584 1.00 12.31 N ATOM 1584 CA LEU A 94 -0.875 12.693 4.628 1.00 22.43 C ATOM 1585 C LEU A 94 -0.639 14.225 4.559 1.00 64.13 C ATOM 1586 O LEU A 94 -1.397 14.945 3.918 1.00 43.42 O ATOM 1587 CB LEU A 94 -1.672 12.350 5.910 1.00 60.04 C ATOM 1588 CG LEU A 94 -2.076 10.860 6.079 1.00 21.42 C ATOM 1589 CD1 LEU A 94 -2.847 10.645 7.391 1.00 40.02 C ATOM 1590 CD2 LEU A 94 -2.867 10.344 4.859 1.00 64.50 C ATOM 0 H LEU A 94 0.527 11.285 5.354 1.00 12.31 H new ATOM 0 HA LEU A 94 -1.453 12.392 3.754 1.00 22.43 H new ATOM 0 HB2 LEU A 94 -1.077 12.645 6.774 1.00 60.04 H new ATOM 0 HB3 LEU A 94 -2.578 12.956 5.924 1.00 60.04 H new ATOM 0 HG LEU A 94 -1.160 10.271 6.135 1.00 21.42 H new ATOM 0 HD11 LEU A 94 -3.118 9.594 7.485 1.00 40.02 H new ATOM 0 HD12 LEU A 94 -2.219 10.935 8.234 1.00 40.02 H new ATOM 0 HD13 LEU A 94 -3.751 11.254 7.386 1.00 40.02 H new ATOM 0 HD21 LEU A 94 -3.132 9.298 5.013 1.00 64.50 H new ATOM 0 HD22 LEU A 94 -3.775 10.935 4.738 1.00 64.50 H new ATOM 0 HD23 LEU A 94 -2.253 10.434 3.963 1.00 64.50 H new ATOM 1602 N GLU A 95 0.422 14.682 5.241 1.00 31.21 N ATOM 1603 CA GLU A 95 0.844 16.105 5.291 1.00 31.51 C ATOM 1604 C GLU A 95 1.702 16.463 4.053 1.00 1.21 C ATOM 1605 O GLU A 95 1.676 17.598 3.558 1.00 20.14 O ATOM 1606 CB GLU A 95 1.677 16.341 6.575 1.00 32.42 C ATOM 1607 CG GLU A 95 1.045 15.763 7.865 1.00 44.10 C ATOM 1608 CD GLU A 95 1.989 15.828 9.076 1.00 42.32 C ATOM 1609 OE1 GLU A 95 3.155 15.402 8.948 1.00 33.24 O ATOM 1610 OE2 GLU A 95 1.571 16.275 10.164 1.00 73.22 O ATOM 0 H GLU A 95 1.027 14.068 5.786 1.00 31.21 H new ATOM 0 HA GLU A 95 -0.044 16.737 5.296 1.00 31.51 H new ATOM 0 HB2 GLU A 95 2.664 15.899 6.439 1.00 32.42 H new ATOM 0 HB3 GLU A 95 1.824 17.413 6.706 1.00 32.42 H new ATOM 0 HG2 GLU A 95 0.131 16.312 8.093 1.00 44.10 H new ATOM 0 HG3 GLU A 95 0.758 14.726 7.690 1.00 44.10 H new ATOM 1617 N ASP A 96 2.464 15.454 3.594 1.00 32.12 N ATOM 1618 CA ASP A 96 3.431 15.584 2.481 1.00 50.03 C ATOM 1619 C ASP A 96 2.727 15.871 1.137 1.00 51.33 C ATOM 1620 O ASP A 96 3.164 16.749 0.400 1.00 63.32 O ATOM 1621 CB ASP A 96 4.298 14.309 2.360 1.00 61.44 C ATOM 1622 CG ASP A 96 5.327 14.383 1.216 1.00 0.31 C ATOM 1623 OD1 ASP A 96 6.400 14.978 1.425 1.00 23.43 O ATOM 1624 OD2 ASP A 96 5.068 13.844 0.114 1.00 72.51 O ATOM 0 H ASP A 96 2.428 14.514 3.988 1.00 32.12 H new ATOM 0 HA ASP A 96 4.073 16.434 2.711 1.00 50.03 H new ATOM 0 HB2 ASP A 96 4.822 14.143 3.301 1.00 61.44 H new ATOM 0 HB3 ASP A 96 3.648 13.449 2.201 1.00 61.44 H new ATOM 1629 N LEU A 97 1.633 15.125 0.843 1.00 60.12 N ATOM 1630 CA LEU A 97 0.833 15.285 -0.407 1.00 41.25 C ATOM 1631 C LEU A 97 0.141 16.668 -0.474 1.00 53.35 C ATOM 1632 O LEU A 97 -0.244 17.122 -1.560 1.00 25.30 O ATOM 1633 CB LEU A 97 -0.222 14.129 -0.553 1.00 10.41 C ATOM 1634 CG LEU A 97 0.275 12.777 -1.192 1.00 41.32 C ATOM 1635 CD1 LEU A 97 1.413 12.128 -0.391 1.00 71.41 C ATOM 1636 CD2 LEU A 97 -0.896 11.785 -1.362 1.00 2.54 C ATOM 0 H LEU A 97 1.277 14.396 1.461 1.00 60.12 H new ATOM 0 HA LEU A 97 1.528 15.224 -1.244 1.00 41.25 H new ATOM 0 HB2 LEU A 97 -0.620 13.908 0.437 1.00 10.41 H new ATOM 0 HB3 LEU A 97 -1.051 14.502 -1.154 1.00 10.41 H new ATOM 0 HG LEU A 97 0.675 13.026 -2.175 1.00 41.32 H new ATOM 0 HD11 LEU A 97 1.716 11.200 -0.876 1.00 71.41 H new ATOM 0 HD12 LEU A 97 2.263 12.810 -0.348 1.00 71.41 H new ATOM 0 HD13 LEU A 97 1.069 11.913 0.621 1.00 71.41 H new ATOM 0 HD21 LEU A 97 -0.528 10.860 -1.805 1.00 2.54 H new ATOM 0 HD22 LEU A 97 -1.336 11.571 -0.388 1.00 2.54 H new ATOM 0 HD23 LEU A 97 -1.652 12.223 -2.013 1.00 2.54 H new ATOM 1648 N LYS A 98 -0.007 17.320 0.695 1.00 70.12 N ATOM 1649 CA LYS A 98 -0.588 18.677 0.791 1.00 51.32 C ATOM 1650 C LYS A 98 0.419 19.723 0.283 1.00 41.14 C ATOM 1651 O LYS A 98 0.053 20.711 -0.364 1.00 43.21 O ATOM 1652 CB LYS A 98 -1.009 19.017 2.252 1.00 63.31 C ATOM 1653 CG LYS A 98 -1.847 17.934 2.968 1.00 64.41 C ATOM 1654 CD LYS A 98 -3.070 17.439 2.164 1.00 63.54 C ATOM 1655 CE LYS A 98 -4.074 18.550 1.826 1.00 74.14 C ATOM 1656 NZ LYS A 98 -5.185 18.036 0.990 1.00 14.05 N ATOM 0 H LYS A 98 0.270 16.926 1.594 1.00 70.12 H new ATOM 0 HA LYS A 98 -1.482 18.699 0.167 1.00 51.32 H new ATOM 0 HB2 LYS A 98 -0.109 19.202 2.838 1.00 63.31 H new ATOM 0 HB3 LYS A 98 -1.579 19.946 2.241 1.00 63.31 H new ATOM 0 HG2 LYS A 98 -1.204 17.082 3.190 1.00 64.41 H new ATOM 0 HG3 LYS A 98 -2.192 18.331 3.923 1.00 64.41 H new ATOM 0 HD2 LYS A 98 -2.724 16.980 1.238 1.00 63.54 H new ATOM 0 HD3 LYS A 98 -3.579 16.662 2.734 1.00 63.54 H new ATOM 0 HE2 LYS A 98 -4.475 18.973 2.747 1.00 74.14 H new ATOM 0 HE3 LYS A 98 -3.563 19.357 1.300 1.00 74.14 H new ATOM 0 HZ1 LYS A 98 -5.527 18.793 0.364 1.00 14.05 H new ATOM 0 HZ2 LYS A 98 -4.847 17.237 0.416 1.00 14.05 H new ATOM 0 HZ3 LYS A 98 -5.962 17.717 1.603 1.00 14.05 H new ATOM 1670 N LYS A 99 1.694 19.483 0.609 1.00 13.41 N ATOM 1671 CA LYS A 99 2.815 20.357 0.224 1.00 33.13 C ATOM 1672 C LYS A 99 3.410 19.939 -1.128 1.00 42.35 C ATOM 1673 O LYS A 99 4.060 20.751 -1.798 1.00 32.41 O ATOM 1674 CB LYS A 99 3.919 20.296 1.308 1.00 11.31 C ATOM 1675 CG LYS A 99 3.442 20.704 2.715 1.00 71.02 C ATOM 1676 CD LYS A 99 4.562 20.624 3.773 1.00 12.15 C ATOM 1677 CE LYS A 99 5.128 19.202 3.955 1.00 71.41 C ATOM 1678 NZ LYS A 99 6.192 19.175 4.993 1.00 31.53 N ATOM 0 H LYS A 99 1.983 18.670 1.153 1.00 13.41 H new ATOM 0 HA LYS A 99 2.434 21.374 0.133 1.00 33.13 H new ATOM 0 HB2 LYS A 99 4.316 19.282 1.350 1.00 11.31 H new ATOM 0 HB3 LYS A 99 4.741 20.948 1.011 1.00 11.31 H new ATOM 0 HG2 LYS A 99 3.053 21.722 2.681 1.00 71.02 H new ATOM 0 HG3 LYS A 99 2.618 20.057 3.016 1.00 71.02 H new ATOM 0 HD2 LYS A 99 5.371 21.296 3.487 1.00 12.15 H new ATOM 0 HD3 LYS A 99 4.176 20.979 4.728 1.00 12.15 H new ATOM 0 HE2 LYS A 99 4.325 18.521 4.236 1.00 71.41 H new ATOM 0 HE3 LYS A 99 5.531 18.844 3.008 1.00 71.41 H new ATOM 0 HZ1 LYS A 99 6.554 18.205 5.094 1.00 31.53 H new ATOM 0 HZ2 LYS A 99 6.968 19.807 4.711 1.00 31.53 H new ATOM 0 HZ3 LYS A 99 5.799 19.494 5.902 1.00 31.53 H new ATOM 1692 N LYS A 100 3.161 18.666 -1.507 1.00 64.14 N ATOM 1693 CA LYS A 100 3.870 17.956 -2.581 1.00 52.03 C ATOM 1694 C LYS A 100 5.384 17.957 -2.301 1.00 65.53 C ATOM 1695 O LYS A 100 6.124 18.803 -2.819 1.00 43.11 O ATOM 1696 CB LYS A 100 3.541 18.529 -3.993 1.00 44.40 C ATOM 1697 CG LYS A 100 4.243 17.800 -5.170 1.00 52.41 C ATOM 1698 CD LYS A 100 3.793 16.334 -5.343 1.00 23.01 C ATOM 1699 CE LYS A 100 2.323 16.227 -5.763 1.00 44.14 C ATOM 1700 NZ LYS A 100 2.052 16.903 -7.064 1.00 10.42 N ATOM 0 H LYS A 100 2.443 18.095 -1.061 1.00 64.14 H new ATOM 0 HA LYS A 100 3.519 16.924 -2.589 1.00 52.03 H new ATOM 0 HB2 LYS A 100 2.463 18.483 -4.146 1.00 44.40 H new ATOM 0 HB3 LYS A 100 3.821 19.582 -4.017 1.00 44.40 H new ATOM 0 HG2 LYS A 100 4.045 18.344 -6.094 1.00 52.41 H new ATOM 0 HG3 LYS A 100 5.321 17.824 -5.011 1.00 52.41 H new ATOM 0 HD2 LYS A 100 4.420 15.849 -6.092 1.00 23.01 H new ATOM 0 HD3 LYS A 100 3.942 15.797 -4.406 1.00 23.01 H new ATOM 0 HE2 LYS A 100 2.045 15.176 -5.838 1.00 44.14 H new ATOM 0 HE3 LYS A 100 1.694 16.668 -4.990 1.00 44.14 H new ATOM 0 HZ1 LYS A 100 1.107 16.635 -7.404 1.00 10.42 H new ATOM 0 HZ2 LYS A 100 2.094 17.934 -6.935 1.00 10.42 H new ATOM 0 HZ3 LYS A 100 2.766 16.612 -7.762 1.00 10.42 H new ATOM 1714 N GLY A 101 5.822 17.042 -1.423 1.00 60.04 N ATOM 1715 CA GLY A 101 7.231 16.930 -1.066 1.00 11.13 C ATOM 1716 C GLY A 101 7.694 18.047 -0.128 1.00 61.22 C ATOM 1717 O GLY A 101 6.925 18.514 0.727 1.00 32.35 O ATOM 0 H GLY A 101 5.215 16.372 -0.951 1.00 60.04 H new ATOM 0 HA2 GLY A 101 7.405 15.965 -0.589 1.00 11.13 H new ATOM 0 HA3 GLY A 101 7.834 16.950 -1.974 1.00 11.13 H new ATOM 1721 N SER A 102 8.943 18.484 -0.321 1.00 32.23 N ATOM 1722 CA SER A 102 9.586 19.547 0.480 1.00 14.51 C ATOM 1723 C SER A 102 10.819 20.052 -0.288 1.00 61.33 C ATOM 1724 O SER A 102 10.950 19.781 -1.485 1.00 51.34 O ATOM 1725 CB SER A 102 9.960 18.985 1.877 1.00 41.24 C ATOM 1726 OG SER A 102 10.900 17.922 1.786 1.00 65.50 O ATOM 0 H SER A 102 9.551 18.107 -1.048 1.00 32.23 H new ATOM 0 HA SER A 102 8.909 20.386 0.637 1.00 14.51 H new ATOM 0 HB2 SER A 102 10.374 19.785 2.491 1.00 41.24 H new ATOM 0 HB3 SER A 102 9.059 18.631 2.379 1.00 41.24 H new ATOM 0 HG SER A 102 11.112 17.595 2.685 1.00 65.50 H new ATOM 1732 N LEU A 103 11.729 20.785 0.391 1.00 24.24 N ATOM 1733 CA LEU A 103 13.014 21.216 -0.201 1.00 21.23 C ATOM 1734 C LEU A 103 14.045 20.090 0.056 1.00 21.30 C ATOM 1735 O LEU A 103 15.028 20.245 0.791 1.00 13.33 O ATOM 1736 CB LEU A 103 13.464 22.605 0.375 1.00 2.05 C ATOM 1737 CG LEU A 103 14.249 23.554 -0.608 1.00 41.35 C ATOM 1738 CD1 LEU A 103 14.613 24.885 0.078 1.00 63.22 C ATOM 1739 CD2 LEU A 103 15.511 22.884 -1.210 1.00 61.34 C ATOM 0 H LEU A 103 11.595 21.092 1.355 1.00 24.24 H new ATOM 0 HA LEU A 103 12.917 21.370 -1.276 1.00 21.23 H new ATOM 0 HB2 LEU A 103 12.576 23.133 0.723 1.00 2.05 H new ATOM 0 HB3 LEU A 103 14.091 22.425 1.248 1.00 2.05 H new ATOM 0 HG LEU A 103 13.575 23.762 -1.439 1.00 41.35 H new ATOM 0 HD11 LEU A 103 15.154 25.520 -0.624 1.00 63.22 H new ATOM 0 HD12 LEU A 103 13.702 25.391 0.397 1.00 63.22 H new ATOM 0 HD13 LEU A 103 15.241 24.687 0.947 1.00 63.22 H new ATOM 0 HD21 LEU A 103 16.011 23.585 -1.879 1.00 61.34 H new ATOM 0 HD22 LEU A 103 16.191 22.601 -0.407 1.00 61.34 H new ATOM 0 HD23 LEU A 103 15.219 21.994 -1.768 1.00 61.34 H new ATOM 1751 N GLU A 104 13.724 18.934 -0.526 1.00 41.40 N ATOM 1752 CA GLU A 104 14.520 17.696 -0.439 1.00 1.41 C ATOM 1753 C GLU A 104 15.839 17.816 -1.241 1.00 41.01 C ATOM 1754 O GLU A 104 15.867 17.628 -2.454 1.00 11.23 O ATOM 1755 CB GLU A 104 13.660 16.476 -0.921 1.00 32.44 C ATOM 1756 CG GLU A 104 12.823 16.746 -2.195 1.00 31.31 C ATOM 1757 CD GLU A 104 12.262 15.479 -2.853 1.00 62.33 C ATOM 1758 OE1 GLU A 104 12.952 14.902 -3.723 1.00 44.25 O ATOM 1759 OE2 GLU A 104 11.144 15.046 -2.498 1.00 65.34 O ATOM 0 H GLU A 104 12.880 18.824 -1.088 1.00 41.40 H new ATOM 0 HA GLU A 104 14.798 17.532 0.602 1.00 1.41 H new ATOM 0 HB2 GLU A 104 14.323 15.632 -1.109 1.00 32.44 H new ATOM 0 HB3 GLU A 104 12.988 16.180 -0.116 1.00 32.44 H new ATOM 0 HG2 GLU A 104 11.995 17.408 -1.940 1.00 31.31 H new ATOM 0 HG3 GLU A 104 13.443 17.275 -2.919 1.00 31.31 H new ATOM 1766 N HIS A 105 16.927 18.192 -0.554 1.00 65.23 N ATOM 1767 CA HIS A 105 18.271 18.281 -1.160 1.00 23.33 C ATOM 1768 C HIS A 105 19.092 16.995 -0.893 1.00 63.03 C ATOM 1769 O HIS A 105 20.113 16.769 -1.550 1.00 34.42 O ATOM 1770 CB HIS A 105 19.012 19.547 -0.647 1.00 12.01 C ATOM 1771 CG HIS A 105 20.316 19.827 -1.370 1.00 74.14 C ATOM 1772 ND1 HIS A 105 21.551 19.499 -0.854 1.00 64.12 N ATOM 1773 CD2 HIS A 105 20.561 20.390 -2.584 1.00 21.31 C ATOM 1774 CE1 HIS A 105 22.490 19.842 -1.711 1.00 51.22 C ATOM 1775 NE2 HIS A 105 21.921 20.387 -2.767 1.00 64.20 N ATOM 0 H HIS A 105 16.905 18.443 0.434 1.00 65.23 H new ATOM 0 HA HIS A 105 18.156 18.371 -2.240 1.00 23.33 H new ATOM 0 HB2 HIS A 105 18.355 20.410 -0.755 1.00 12.01 H new ATOM 0 HB3 HIS A 105 19.215 19.432 0.418 1.00 12.01 H new ATOM 0 HD2 HIS A 105 19.823 20.769 -3.275 1.00 21.31 H new ATOM 0 HE1 HIS A 105 23.551 19.700 -1.571 1.00 51.22 H new ATOM 0 HE2 HIS A 105 22.411 20.747 -3.586 1.00 64.20 H new ATOM 1784 N HIS A 106 18.642 16.143 0.065 1.00 13.42 N ATOM 1785 CA HIS A 106 19.310 14.842 0.347 1.00 41.13 C ATOM 1786 C HIS A 106 19.101 13.867 -0.830 1.00 62.11 C ATOM 1787 O HIS A 106 20.001 13.093 -1.176 1.00 20.25 O ATOM 1788 CB HIS A 106 18.787 14.183 1.651 1.00 33.41 C ATOM 1789 CG HIS A 106 19.015 14.977 2.909 1.00 32.04 C ATOM 1790 ND1 HIS A 106 18.004 15.319 3.781 1.00 11.24 N ATOM 1791 CD2 HIS A 106 20.150 15.468 3.455 1.00 63.12 C ATOM 1792 CE1 HIS A 106 18.509 15.972 4.806 1.00 4.33 C ATOM 1793 NE2 HIS A 106 19.809 16.082 4.631 1.00 15.02 N ATOM 0 H HIS A 106 17.828 16.330 0.650 1.00 13.42 H new ATOM 0 HA HIS A 106 20.372 15.053 0.476 1.00 41.13 H new ATOM 0 HB2 HIS A 106 17.717 14.003 1.544 1.00 33.41 H new ATOM 0 HB3 HIS A 106 19.265 13.210 1.764 1.00 33.41 H new ATOM 0 HD2 HIS A 106 21.144 15.390 3.040 1.00 63.12 H new ATOM 0 HE1 HIS A 106 17.951 16.353 5.648 1.00 4.33 H new ATOM 0 HE2 HIS A 106 20.456 16.548 5.267 1.00 15.02 H new ATOM 1802 N HIS A 107 17.900 13.929 -1.433 1.00 74.23 N ATOM 1803 CA HIS A 107 17.510 13.088 -2.582 1.00 42.03 C ATOM 1804 C HIS A 107 16.654 13.888 -3.567 1.00 75.31 C ATOM 1805 O HIS A 107 16.288 15.033 -3.305 1.00 41.32 O ATOM 1806 CB HIS A 107 16.728 11.829 -2.114 1.00 23.13 C ATOM 1807 CG HIS A 107 15.392 12.132 -1.472 1.00 64.41 C ATOM 1808 ND1 HIS A 107 14.207 12.213 -2.181 1.00 11.13 N ATOM 1809 CD2 HIS A 107 15.063 12.382 -0.182 1.00 52.40 C ATOM 1810 CE1 HIS A 107 13.226 12.503 -1.353 1.00 63.24 C ATOM 1811 NE2 HIS A 107 13.714 12.604 -0.139 1.00 2.34 N ATOM 0 H HIS A 107 17.165 14.570 -1.134 1.00 74.23 H new ATOM 0 HA HIS A 107 18.424 12.765 -3.081 1.00 42.03 H new ATOM 0 HB2 HIS A 107 16.567 11.176 -2.972 1.00 23.13 H new ATOM 0 HB3 HIS A 107 17.343 11.276 -1.404 1.00 23.13 H new ATOM 0 HD2 HIS A 107 15.741 12.402 0.658 1.00 52.40 H new ATOM 0 HE1 HIS A 107 12.190 12.636 -1.627 1.00 63.24 H new ATOM 0 HE2 HIS A 107 13.175 12.814 0.701 1.00 2.34 H new ATOM 1820 N HIS A 108 16.350 13.252 -4.699 1.00 61.40 N ATOM 1821 CA HIS A 108 15.489 13.791 -5.759 1.00 51.44 C ATOM 1822 C HIS A 108 14.513 12.695 -6.195 1.00 11.10 C ATOM 1823 O HIS A 108 14.510 11.594 -5.611 1.00 64.00 O ATOM 1824 CB HIS A 108 16.356 14.282 -6.952 1.00 71.33 C ATOM 1825 CG HIS A 108 17.333 15.374 -6.592 1.00 71.24 C ATOM 1826 ND1 HIS A 108 17.003 16.706 -6.605 1.00 23.41 N ATOM 1827 CD2 HIS A 108 18.617 15.317 -6.149 1.00 42.44 C ATOM 1828 CE1 HIS A 108 18.028 17.419 -6.194 1.00 13.20 C ATOM 1829 NE2 HIS A 108 19.016 16.605 -5.909 1.00 55.04 N ATOM 0 H HIS A 108 16.705 12.320 -4.912 1.00 61.40 H new ATOM 0 HA HIS A 108 14.924 14.647 -5.390 1.00 51.44 H new ATOM 0 HB2 HIS A 108 16.908 13.435 -7.360 1.00 71.33 H new ATOM 0 HB3 HIS A 108 15.698 14.644 -7.742 1.00 71.33 H new ATOM 0 HD2 HIS A 108 19.210 14.425 -6.012 1.00 42.44 H new ATOM 0 HE1 HIS A 108 18.052 18.495 -6.106 1.00 13.20 H new ATOM 0 HE2 HIS A 108 19.934 16.886 -5.564 1.00 55.04 H new ATOM 1838 N HIS A 109 13.664 13.003 -7.195 1.00 45.15 N ATOM 1839 CA HIS A 109 12.790 11.995 -7.822 1.00 0.14 C ATOM 1840 C HIS A 109 13.677 10.944 -8.525 1.00 64.04 C ATOM 1841 O HIS A 109 14.450 11.278 -9.434 1.00 10.22 O ATOM 1842 CB HIS A 109 11.758 12.639 -8.795 1.00 12.40 C ATOM 1843 CG HIS A 109 12.336 13.477 -9.907 1.00 12.43 C ATOM 1844 ND1 HIS A 109 12.652 14.802 -9.747 1.00 21.23 N ATOM 1845 CD2 HIS A 109 12.668 13.171 -11.186 1.00 43.50 C ATOM 1846 CE1 HIS A 109 13.148 15.273 -10.865 1.00 3.40 C ATOM 1847 NE2 HIS A 109 13.169 14.308 -11.757 1.00 24.53 N ATOM 0 H HIS A 109 13.566 13.941 -7.585 1.00 45.15 H new ATOM 0 HA HIS A 109 12.196 11.504 -7.051 1.00 0.14 H new ATOM 0 HB2 HIS A 109 11.160 11.843 -9.239 1.00 12.40 H new ATOM 0 HB3 HIS A 109 11.078 13.261 -8.213 1.00 12.40 H new ATOM 0 HD2 HIS A 109 12.557 12.209 -11.664 1.00 43.50 H new ATOM 0 HE1 HIS A 109 13.484 16.287 -11.027 1.00 3.40 H new ATOM 0 HE2 HIS A 109 13.504 14.393 -12.717 1.00 24.53 H new ATOM 1856 N HIS A 110 13.616 9.703 -8.020 1.00 60.21 N ATOM 1857 CA HIS A 110 14.480 8.593 -8.458 1.00 21.23 C ATOM 1858 C HIS A 110 14.162 8.215 -9.930 1.00 51.43 C ATOM 1859 O HIS A 110 13.113 7.585 -10.178 1.00 73.54 O ATOM 1860 CB HIS A 110 14.305 7.373 -7.503 1.00 63.32 C ATOM 1861 CG HIS A 110 14.512 7.697 -6.045 1.00 51.14 C ATOM 1862 ND1 HIS A 110 13.498 7.638 -5.114 1.00 22.52 N ATOM 1863 CD2 HIS A 110 15.622 8.069 -5.358 1.00 23.24 C ATOM 1864 CE1 HIS A 110 13.971 7.956 -3.927 1.00 21.21 C ATOM 1865 NE2 HIS A 110 15.256 8.217 -4.042 1.00 25.01 N ATOM 1866 OXT HIS A 110 14.955 8.564 -10.830 1.00 38.37 O ATOM 0 H HIS A 110 12.958 9.437 -7.287 1.00 60.21 H new ATOM 0 HA HIS A 110 15.523 8.907 -8.414 1.00 21.23 H new ATOM 0 HB2 HIS A 110 13.303 6.963 -7.634 1.00 63.32 H new ATOM 0 HB3 HIS A 110 15.009 6.593 -7.794 1.00 63.32 H new ATOM 0 HD2 HIS A 110 16.609 8.220 -5.769 1.00 23.24 H new ATOM 0 HE1 HIS A 110 13.400 7.996 -3.011 1.00 21.21 H new ATOM 0 HE2 HIS A 110 15.878 8.485 -3.279 1.00 25.01 H new TER 1875 HIS A 110