USER MOD reduce.3.24.130724 H: found=0, std=0, add=813, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 816 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 64 TYR OH : rot -15:sc= -0.0529 USER MOD Set 1.2: A 68 ASN :FLIP amide:sc= -2.4! C(o=-5!,f=-2.5!) USER MOD Set 2.1: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 145 ASN : amide:sc= -4.35! C(o=-4.3!,f=-8.6!) USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.518 K(o=-0.52,f=-3.8!) USER MOD Single : A 46 LYS NZ :NH3+ 168:sc= 1.22 (180deg=1.09) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl -129:sc= -1.02 (180deg=-1.61) USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.015) USER MOD Single : A 71 TYR OH : rot 60:sc= 0.126 USER MOD Single : A 73 SER OG : rot 171:sc= -0.337 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0421 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.107 F(o=-0.93,f=-0.11) USER MOD Single : A 76 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 83 LYS NZ :NH3+ -158:sc= 1.25 (180deg=0.925) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -19:sc= 0.0479 USER MOD Single : A 88 ASN : amide:sc= -1.04 K(o=-1,f=-2!) USER MOD Single : A 90 GLN : amide:sc= 0.62 K(o=0.62,f=-0.84) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 ASN : amide:sc= -0.157 K(o=-0.16,f=-7.3!) USER MOD Single : A 96 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0176) USER MOD Single : A 99 TYR OH : rot 50:sc= -3.21! USER MOD Single : A 101 LYS NZ :NH3+ 162:sc= -0.093 (180deg=-0.4) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 ASN : amide:sc= -0.723 X(o=-0.72,f=-0.53) USER MOD Single : A 112 TYR OH : rot 180:sc= -0.431 USER MOD Single : A 113 GLN : amide:sc= -2.2! C(o=-2.2!,f=-9.5!) USER MOD Single : A 114 TYR OH : rot -118:sc= 0.26 USER MOD Single : A 119 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -144:sc= 0.369 (180deg=-2.03!) USER MOD Single : A 126 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 159:sc= 1.25 USER MOD Single : A 133 LYS NZ :NH3+ -170:sc= 1.28 (180deg=1.21) USER MOD Single : A 137 SER OG : rot 5:sc= 1.12 USER MOD Single : A 139 ASN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 148 ASN : amide:sc= -0.189 K(o=-0.19,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 39 3.639 6.210 -1.271 1.00 3.42 N ATOM 2 CA MET A 39 4.776 5.291 -1.286 1.00 10.21 C ATOM 3 C MET A 39 4.294 3.900 -1.658 1.00 73.13 C ATOM 4 O MET A 39 3.803 3.159 -0.802 1.00 61.24 O ATOM 5 CB MET A 39 5.505 5.230 0.085 1.00 63.52 C ATOM 6 CG MET A 39 6.010 6.554 0.654 1.00 1.01 C ATOM 7 SD MET A 39 4.684 7.651 1.193 1.00 32.22 S ATOM 8 CE MET A 39 5.634 9.039 1.817 1.00 65.24 C ATOM 0 HA MET A 39 5.488 5.663 -2.023 1.00 10.21 H new ATOM 0 HB2 MET A 39 4.826 4.785 0.812 1.00 63.52 H new ATOM 0 HB3 MET A 39 6.355 4.555 -0.012 1.00 63.52 H new ATOM 0 HG2 MET A 39 6.670 6.351 1.498 1.00 1.01 H new ATOM 0 HG3 MET A 39 6.608 7.062 -0.103 1.00 1.01 H new ATOM 0 HE1 MET A 39 4.955 9.807 2.189 1.00 65.24 H new ATOM 0 HE2 MET A 39 6.280 8.703 2.628 1.00 65.24 H new ATOM 0 HE3 MET A 39 6.245 9.452 1.014 1.00 65.24 H new ATOM 20 N SER A 40 4.406 3.544 -2.915 1.00 73.24 N ATOM 21 CA SER A 40 3.952 2.261 -3.355 1.00 74.52 C ATOM 22 C SER A 40 5.116 1.443 -3.909 1.00 42.41 C ATOM 23 O SER A 40 5.406 1.454 -5.107 1.00 44.05 O ATOM 24 CB SER A 40 2.803 2.392 -4.373 1.00 23.20 C ATOM 25 OG SER A 40 2.277 1.120 -4.738 1.00 44.45 O ATOM 0 H SER A 40 4.809 4.130 -3.646 1.00 73.24 H new ATOM 0 HA SER A 40 3.551 1.725 -2.495 1.00 74.52 H new ATOM 0 HB2 SER A 40 2.009 3.006 -3.949 1.00 23.20 H new ATOM 0 HB3 SER A 40 3.163 2.907 -5.264 1.00 23.20 H new ATOM 0 HG SER A 40 1.549 1.240 -5.383 1.00 44.45 H new ATOM 31 N ARG A 41 5.805 0.793 -3.007 1.00 63.11 N ATOM 32 CA ARG A 41 6.928 -0.091 -3.284 1.00 42.10 C ATOM 33 C ARG A 41 6.972 -1.097 -2.141 1.00 13.24 C ATOM 34 O ARG A 41 6.296 -0.871 -1.123 1.00 41.21 O ATOM 35 CB ARG A 41 8.270 0.685 -3.317 1.00 52.43 C ATOM 36 CG ARG A 41 8.504 1.598 -4.508 1.00 21.40 C ATOM 37 CD ARG A 41 9.847 2.294 -4.377 1.00 62.53 C ATOM 38 NE ARG A 41 10.153 3.161 -5.517 1.00 65.44 N ATOM 39 CZ ARG A 41 11.308 3.818 -5.691 1.00 54.23 C ATOM 40 NH1 ARG A 41 12.239 3.812 -4.736 1.00 15.32 N ATOM 41 NH2 ARG A 41 11.515 4.502 -6.810 1.00 14.13 N ATOM 0 H ARG A 41 5.596 0.863 -2.011 1.00 63.11 H new ATOM 0 HA ARG A 41 6.798 -0.564 -4.257 1.00 42.10 H new ATOM 0 HB2 ARG A 41 8.337 1.286 -2.410 1.00 52.43 H new ATOM 0 HB3 ARG A 41 9.083 -0.040 -3.280 1.00 52.43 H new ATOM 0 HG2 ARG A 41 8.474 1.019 -5.431 1.00 21.40 H new ATOM 0 HG3 ARG A 41 7.707 2.339 -4.570 1.00 21.40 H new ATOM 0 HD2 ARG A 41 9.855 2.888 -3.463 1.00 62.53 H new ATOM 0 HD3 ARG A 41 10.631 1.544 -4.277 1.00 62.53 H new ATOM 0 HE ARG A 41 9.434 3.273 -6.231 1.00 65.44 H new ATOM 0 HH11 ARG A 41 12.074 3.305 -3.866 1.00 15.32 H new ATOM 0 HH12 ARG A 41 13.116 4.314 -4.875 1.00 15.32 H new ATOM 0 HH21 ARG A 41 10.796 4.526 -7.533 1.00 14.13 H new ATOM 0 HH22 ARG A 41 12.393 5.003 -6.946 1.00 14.13 H new ATOM 55 N PRO A 42 7.725 -2.215 -2.268 1.00 62.24 N ATOM 56 CA PRO A 42 7.880 -3.193 -1.178 1.00 12.11 C ATOM 57 C PRO A 42 8.362 -2.522 0.111 1.00 33.23 C ATOM 58 O PRO A 42 9.300 -1.702 0.097 1.00 63.31 O ATOM 59 CB PRO A 42 8.941 -4.146 -1.708 1.00 42.31 C ATOM 60 CG PRO A 42 8.792 -4.071 -3.179 1.00 43.45 C ATOM 61 CD PRO A 42 8.463 -2.642 -3.474 1.00 42.23 C ATOM 0 HA PRO A 42 6.942 -3.685 -0.923 1.00 12.11 H new ATOM 0 HB2 PRO A 42 9.940 -3.845 -1.393 1.00 42.31 H new ATOM 0 HB3 PRO A 42 8.784 -5.161 -1.343 1.00 42.31 H new ATOM 0 HG2 PRO A 42 9.710 -4.375 -3.683 1.00 43.45 H new ATOM 0 HG3 PRO A 42 8.002 -4.736 -3.528 1.00 43.45 H new ATOM 0 HD2 PRO A 42 9.361 -2.045 -3.630 1.00 42.23 H new ATOM 0 HD3 PRO A 42 7.856 -2.545 -4.374 1.00 42.23 H new ATOM 69 N ASP A 43 7.666 -2.816 1.198 1.00 63.13 N ATOM 70 CA ASP A 43 7.894 -2.243 2.542 1.00 70.21 C ATOM 71 C ASP A 43 7.455 -0.816 2.668 1.00 23.42 C ATOM 72 O ASP A 43 7.005 -0.409 3.714 1.00 23.35 O ATOM 73 CB ASP A 43 9.301 -2.450 3.104 1.00 1.00 C ATOM 74 CG ASP A 43 9.497 -3.843 3.597 1.00 60.25 C ATOM 75 OD1 ASP A 43 8.658 -4.310 4.391 1.00 22.10 O ATOM 76 OD2 ASP A 43 10.469 -4.523 3.173 1.00 20.54 O ATOM 0 H ASP A 43 6.895 -3.484 1.182 1.00 63.13 H new ATOM 0 HA ASP A 43 7.238 -2.839 3.176 1.00 70.21 H new ATOM 0 HB2 ASP A 43 10.038 -2.230 2.331 1.00 1.00 H new ATOM 0 HB3 ASP A 43 9.475 -1.747 3.919 1.00 1.00 H new ATOM 81 N GLN A 44 7.547 -0.076 1.589 1.00 42.24 N ATOM 82 CA GLN A 44 7.109 1.306 1.524 1.00 33.20 C ATOM 83 C GLN A 44 5.595 1.348 1.615 1.00 73.50 C ATOM 84 O GLN A 44 5.014 2.260 2.206 1.00 73.42 O ATOM 85 CB GLN A 44 7.564 1.915 0.209 1.00 51.44 C ATOM 86 CG GLN A 44 9.075 1.889 -0.002 1.00 32.33 C ATOM 87 CD GLN A 44 9.838 2.845 0.887 1.00 60.41 C ATOM 88 OE1 GLN A 44 10.962 2.566 1.274 1.00 42.22 O ATOM 89 NE2 GLN A 44 9.267 3.999 1.152 1.00 61.42 N ATOM 0 H GLN A 44 7.936 -0.421 0.711 1.00 42.24 H new ATOM 0 HA GLN A 44 7.539 1.874 2.349 1.00 33.20 H new ATOM 0 HB2 GLN A 44 7.085 1.381 -0.611 1.00 51.44 H new ATOM 0 HB3 GLN A 44 7.219 2.948 0.161 1.00 51.44 H new ATOM 0 HG2 GLN A 44 9.439 0.877 0.174 1.00 32.33 H new ATOM 0 HG3 GLN A 44 9.290 2.128 -1.044 1.00 32.33 H new ATOM 0 HE21 GLN A 44 8.326 4.193 0.810 1.00 61.42 H new ATOM 0 HE22 GLN A 44 9.765 4.701 1.700 1.00 61.42 H new ATOM 98 N ALA A 45 4.972 0.311 1.073 1.00 61.22 N ATOM 99 CA ALA A 45 3.527 0.152 1.103 1.00 1.04 C ATOM 100 C ALA A 45 3.039 -0.094 2.530 1.00 1.24 C ATOM 101 O ALA A 45 1.858 0.074 2.843 1.00 33.34 O ATOM 102 CB ALA A 45 3.103 -0.989 0.192 1.00 74.44 C ATOM 0 H ALA A 45 5.459 -0.448 0.597 1.00 61.22 H new ATOM 0 HA ALA A 45 3.072 1.074 0.742 1.00 1.04 H new ATOM 0 HB1 ALA A 45 2.019 -1.097 0.224 1.00 74.44 H new ATOM 0 HB2 ALA A 45 3.416 -0.774 -0.830 1.00 74.44 H new ATOM 0 HB3 ALA A 45 3.570 -1.915 0.527 1.00 74.44 H new ATOM 108 N LYS A 46 3.948 -0.483 3.402 1.00 53.34 N ATOM 109 CA LYS A 46 3.592 -0.687 4.778 1.00 51.24 C ATOM 110 C LYS A 46 3.770 0.625 5.542 1.00 54.00 C ATOM 111 O LYS A 46 3.074 0.890 6.516 1.00 41.44 O ATOM 112 CB LYS A 46 4.471 -1.768 5.412 1.00 61.42 C ATOM 113 CG LYS A 46 4.477 -3.119 4.710 1.00 43.13 C ATOM 114 CD LYS A 46 5.217 -4.145 5.556 1.00 71.11 C ATOM 115 CE LYS A 46 5.378 -5.494 4.882 1.00 73.41 C ATOM 116 NZ LYS A 46 6.306 -5.444 3.735 1.00 3.11 N ATOM 0 H LYS A 46 4.927 -0.661 3.178 1.00 53.34 H new ATOM 0 HA LYS A 46 2.553 -1.013 4.827 1.00 51.24 H new ATOM 0 HB2 LYS A 46 5.495 -1.398 5.453 1.00 61.42 H new ATOM 0 HB3 LYS A 46 4.144 -1.917 6.441 1.00 61.42 H new ATOM 0 HG2 LYS A 46 3.454 -3.451 4.535 1.00 43.13 H new ATOM 0 HG3 LYS A 46 4.954 -3.028 3.734 1.00 43.13 H new ATOM 0 HD2 LYS A 46 6.204 -3.754 5.804 1.00 71.11 H new ATOM 0 HD3 LYS A 46 4.682 -4.281 6.496 1.00 71.11 H new ATOM 0 HE2 LYS A 46 5.743 -6.219 5.609 1.00 73.41 H new ATOM 0 HE3 LYS A 46 4.404 -5.846 4.542 1.00 73.41 H new ATOM 0 HZ1 LYS A 46 6.541 -6.412 3.436 1.00 3.11 H new ATOM 0 HZ2 LYS A 46 5.856 -4.938 2.946 1.00 3.11 H new ATOM 0 HZ3 LYS A 46 7.176 -4.947 4.014 1.00 3.11 H new ATOM 130 N VAL A 47 4.638 1.485 5.022 1.00 73.33 N ATOM 131 CA VAL A 47 4.954 2.758 5.655 1.00 30.32 C ATOM 132 C VAL A 47 3.801 3.708 5.434 1.00 52.22 C ATOM 133 O VAL A 47 3.318 4.369 6.352 1.00 73.54 O ATOM 134 CB VAL A 47 6.237 3.400 5.030 1.00 40.01 C ATOM 135 CG1 VAL A 47 6.595 4.721 5.697 1.00 65.12 C ATOM 136 CG2 VAL A 47 7.407 2.458 5.099 1.00 2.23 C ATOM 0 H VAL A 47 5.142 1.319 4.151 1.00 73.33 H new ATOM 0 HA VAL A 47 5.128 2.579 6.716 1.00 30.32 H new ATOM 0 HB VAL A 47 6.008 3.600 3.983 1.00 40.01 H new ATOM 0 HG11 VAL A 47 7.491 5.132 5.233 1.00 65.12 H new ATOM 0 HG12 VAL A 47 5.770 5.424 5.578 1.00 65.12 H new ATOM 0 HG13 VAL A 47 6.780 4.554 6.758 1.00 65.12 H new ATOM 0 HG21 VAL A 47 8.283 2.933 4.657 1.00 2.23 H new ATOM 0 HG22 VAL A 47 7.615 2.211 6.140 1.00 2.23 H new ATOM 0 HG23 VAL A 47 7.173 1.546 4.550 1.00 2.23 H new ATOM 146 N THR A 48 3.321 3.698 4.211 1.00 4.10 N ATOM 147 CA THR A 48 2.285 4.591 3.775 1.00 25.32 C ATOM 148 C THR A 48 0.951 4.333 4.523 1.00 21.12 C ATOM 149 O THR A 48 0.154 5.259 4.720 1.00 5.51 O ATOM 150 CB THR A 48 2.119 4.537 2.215 1.00 64.11 C ATOM 151 OG1 THR A 48 1.250 5.577 1.751 1.00 45.32 O ATOM 152 CG2 THR A 48 1.587 3.190 1.758 1.00 72.14 C ATOM 0 H THR A 48 3.647 3.059 3.486 1.00 4.10 H new ATOM 0 HA THR A 48 2.586 5.607 4.032 1.00 25.32 H new ATOM 0 HB THR A 48 3.110 4.684 1.785 1.00 64.11 H new ATOM 0 HG1 THR A 48 1.165 5.522 0.776 1.00 45.32 H new ATOM 0 HG21 THR A 48 1.485 3.188 0.673 1.00 72.14 H new ATOM 0 HG22 THR A 48 2.280 2.404 2.058 1.00 72.14 H new ATOM 0 HG23 THR A 48 0.614 3.009 2.215 1.00 72.14 H new ATOM 160 N VAL A 49 0.720 3.097 4.971 1.00 2.22 N ATOM 161 CA VAL A 49 -0.500 2.817 5.704 1.00 33.12 C ATOM 162 C VAL A 49 -0.323 3.172 7.168 1.00 61.21 C ATOM 163 O VAL A 49 -1.219 3.754 7.782 1.00 72.31 O ATOM 164 CB VAL A 49 -1.027 1.354 5.542 1.00 73.53 C ATOM 165 CG1 VAL A 49 -1.223 1.015 4.076 1.00 54.13 C ATOM 166 CG2 VAL A 49 -0.138 0.319 6.234 1.00 62.11 C ATOM 0 H VAL A 49 1.345 2.301 4.841 1.00 2.22 H new ATOM 0 HA VAL A 49 -1.271 3.448 5.262 1.00 33.12 H new ATOM 0 HB VAL A 49 -1.993 1.310 6.044 1.00 73.53 H new ATOM 0 HG11 VAL A 49 -1.590 -0.007 3.985 1.00 54.13 H new ATOM 0 HG12 VAL A 49 -1.948 1.701 3.638 1.00 54.13 H new ATOM 0 HG13 VAL A 49 -0.272 1.107 3.551 1.00 54.13 H new ATOM 0 HG21 VAL A 49 -0.556 -0.677 6.086 1.00 62.11 H new ATOM 0 HG22 VAL A 49 0.865 0.359 5.809 1.00 62.11 H new ATOM 0 HG23 VAL A 49 -0.089 0.537 7.301 1.00 62.11 H new ATOM 176 N ALA A 50 0.878 2.905 7.687 1.00 53.20 N ATOM 177 CA ALA A 50 1.210 3.148 9.079 1.00 23.41 C ATOM 178 C ALA A 50 1.160 4.626 9.389 1.00 53.03 C ATOM 179 O ALA A 50 0.719 5.036 10.459 1.00 60.12 O ATOM 180 CB ALA A 50 2.580 2.591 9.394 1.00 62.41 C ATOM 0 H ALA A 50 1.647 2.512 7.144 1.00 53.20 H new ATOM 0 HA ALA A 50 0.473 2.642 9.703 1.00 23.41 H new ATOM 0 HB1 ALA A 50 2.818 2.780 10.441 1.00 62.41 H new ATOM 0 HB2 ALA A 50 2.588 1.517 9.208 1.00 62.41 H new ATOM 0 HB3 ALA A 50 3.324 3.074 8.761 1.00 62.41 H new ATOM 186 N LYS A 51 1.587 5.445 8.439 1.00 32.45 N ATOM 187 CA LYS A 51 1.534 6.866 8.628 1.00 64.31 C ATOM 188 C LYS A 51 0.084 7.385 8.651 1.00 21.34 C ATOM 189 O LYS A 51 -0.215 8.424 9.237 1.00 23.03 O ATOM 190 CB LYS A 51 2.416 7.594 7.630 1.00 1.52 C ATOM 191 CG LYS A 51 3.875 7.169 7.756 1.00 11.41 C ATOM 192 CD LYS A 51 4.792 7.918 6.819 1.00 53.54 C ATOM 193 CE LYS A 51 4.916 9.389 7.200 1.00 65.42 C ATOM 194 NZ LYS A 51 5.869 10.113 6.340 1.00 45.33 N ATOM 0 H LYS A 51 1.968 5.143 7.542 1.00 32.45 H new ATOM 0 HA LYS A 51 1.945 7.087 9.613 1.00 64.31 H new ATOM 0 HB2 LYS A 51 2.064 7.393 6.618 1.00 1.52 H new ATOM 0 HB3 LYS A 51 2.335 8.669 7.788 1.00 1.52 H new ATOM 0 HG2 LYS A 51 4.206 7.327 8.782 1.00 11.41 H new ATOM 0 HG3 LYS A 51 3.955 6.100 7.556 1.00 11.41 H new ATOM 0 HD2 LYS A 51 5.779 7.456 6.830 1.00 53.54 H new ATOM 0 HD3 LYS A 51 4.414 7.838 5.800 1.00 53.54 H new ATOM 0 HE2 LYS A 51 3.937 9.863 7.132 1.00 65.42 H new ATOM 0 HE3 LYS A 51 5.237 9.467 8.239 1.00 65.42 H new ATOM 0 HZ1 LYS A 51 5.919 11.108 6.638 1.00 45.33 H new ATOM 0 HZ2 LYS A 51 6.811 9.679 6.423 1.00 45.33 H new ATOM 0 HZ3 LYS A 51 5.551 10.063 5.351 1.00 45.33 H new ATOM 208 N GLY A 52 -0.813 6.637 8.072 1.00 73.11 N ATOM 209 CA GLY A 52 -2.201 6.995 8.162 1.00 2.10 C ATOM 210 C GLY A 52 -2.744 6.589 9.516 1.00 44.24 C ATOM 211 O GLY A 52 -3.598 7.267 10.101 1.00 12.04 O ATOM 0 H GLY A 52 -0.614 5.789 7.541 1.00 73.11 H new ATOM 0 HA2 GLY A 52 -2.320 8.069 8.018 1.00 2.10 H new ATOM 0 HA3 GLY A 52 -2.766 6.503 7.370 1.00 2.10 H new ATOM 215 N ASP A 53 -2.186 5.522 10.047 1.00 21.24 N ATOM 216 CA ASP A 53 -2.621 4.971 11.319 1.00 61.25 C ATOM 217 C ASP A 53 -2.121 5.799 12.476 1.00 62.22 C ATOM 218 O ASP A 53 -2.782 5.908 13.498 1.00 32.30 O ATOM 219 CB ASP A 53 -2.245 3.491 11.481 1.00 72.41 C ATOM 220 CG ASP A 53 -3.000 2.583 10.535 1.00 32.24 C ATOM 221 OD1 ASP A 53 -4.156 2.898 10.181 1.00 24.25 O ATOM 222 OD2 ASP A 53 -2.448 1.537 10.127 1.00 55.21 O ATOM 0 H ASP A 53 -1.418 5.010 9.612 1.00 21.24 H new ATOM 0 HA ASP A 53 -3.710 5.015 11.322 1.00 61.25 H new ATOM 0 HB2 ASP A 53 -1.175 3.373 11.312 1.00 72.41 H new ATOM 0 HB3 ASP A 53 -2.442 3.182 12.508 1.00 72.41 H new ATOM 227 N ILE A 54 -0.964 6.415 12.318 1.00 34.01 N ATOM 228 CA ILE A 54 -0.480 7.347 13.331 1.00 44.25 C ATOM 229 C ILE A 54 -1.385 8.579 13.379 1.00 71.44 C ATOM 230 O ILE A 54 -1.580 9.173 14.454 1.00 61.41 O ATOM 231 CB ILE A 54 1.003 7.758 13.142 1.00 24.44 C ATOM 232 CG1 ILE A 54 1.207 8.370 11.773 1.00 44.14 C ATOM 233 CG2 ILE A 54 1.925 6.579 13.361 1.00 70.24 C ATOM 234 CD1 ILE A 54 2.627 8.690 11.404 1.00 12.42 C ATOM 0 H ILE A 54 -0.348 6.293 11.514 1.00 34.01 H new ATOM 0 HA ILE A 54 -0.520 6.822 14.285 1.00 44.25 H new ATOM 0 HB ILE A 54 1.252 8.510 13.891 1.00 24.44 H new ATOM 0 HG12 ILE A 54 0.803 7.686 11.026 1.00 44.14 H new ATOM 0 HG13 ILE A 54 0.621 9.287 11.715 1.00 44.14 H new ATOM 0 HG21 ILE A 54 2.959 6.895 13.222 1.00 70.24 H new ATOM 0 HG22 ILE A 54 1.795 6.198 14.374 1.00 70.24 H new ATOM 0 HG23 ILE A 54 1.687 5.793 12.645 1.00 70.24 H new ATOM 0 HD11 ILE A 54 2.654 9.123 10.404 1.00 12.42 H new ATOM 0 HD12 ILE A 54 3.037 9.403 12.120 1.00 12.42 H new ATOM 0 HD13 ILE A 54 3.222 7.777 11.420 1.00 12.42 H new ATOM 246 N LYS A 55 -1.981 8.947 12.217 1.00 73.03 N ATOM 247 CA LYS A 55 -2.970 10.039 12.208 1.00 61.34 C ATOM 248 C LYS A 55 -4.218 9.617 12.971 1.00 61.14 C ATOM 249 O LYS A 55 -4.876 10.437 13.600 1.00 53.55 O ATOM 250 CB LYS A 55 -3.357 10.517 10.786 1.00 74.51 C ATOM 251 CG LYS A 55 -2.467 11.613 10.188 1.00 1.21 C ATOM 252 CD LYS A 55 -1.042 11.166 9.998 1.00 24.42 C ATOM 253 CE LYS A 55 -0.167 12.273 9.448 1.00 32.03 C ATOM 254 NZ LYS A 55 1.227 11.827 9.260 1.00 64.20 N ATOM 0 H LYS A 55 -1.800 8.519 11.309 1.00 73.03 H new ATOM 0 HA LYS A 55 -2.494 10.888 12.699 1.00 61.34 H new ATOM 0 HB2 LYS A 55 -3.342 9.657 10.117 1.00 74.51 H new ATOM 0 HB3 LYS A 55 -4.384 10.882 10.812 1.00 74.51 H new ATOM 0 HG2 LYS A 55 -2.877 11.924 9.227 1.00 1.21 H new ATOM 0 HG3 LYS A 55 -2.486 12.486 10.840 1.00 1.21 H new ATOM 0 HD2 LYS A 55 -0.639 10.826 10.952 1.00 24.42 H new ATOM 0 HD3 LYS A 55 -1.017 10.314 9.319 1.00 24.42 H new ATOM 0 HE2 LYS A 55 -0.571 12.616 8.495 1.00 32.03 H new ATOM 0 HE3 LYS A 55 -0.188 13.125 10.128 1.00 32.03 H new ATOM 0 HZ1 LYS A 55 1.795 12.612 8.882 1.00 64.20 H new ATOM 0 HZ2 LYS A 55 1.621 11.523 10.174 1.00 64.20 H new ATOM 0 HZ3 LYS A 55 1.250 11.031 8.591 1.00 64.20 H new ATOM 268 N ALA A 56 -4.513 8.329 12.918 1.00 2.20 N ATOM 269 CA ALA A 56 -5.641 7.749 13.638 1.00 32.00 C ATOM 270 C ALA A 56 -5.412 7.812 15.150 1.00 34.31 C ATOM 271 O ALA A 56 -6.293 8.225 15.911 1.00 44.53 O ATOM 272 CB ALA A 56 -5.838 6.307 13.215 1.00 14.10 C ATOM 0 H ALA A 56 -3.978 7.652 12.374 1.00 2.20 H new ATOM 0 HA ALA A 56 -6.534 8.326 13.396 1.00 32.00 H new ATOM 0 HB1 ALA A 56 -6.682 5.881 13.757 1.00 14.10 H new ATOM 0 HB2 ALA A 56 -6.036 6.266 12.144 1.00 14.10 H new ATOM 0 HB3 ALA A 56 -4.937 5.736 13.439 1.00 14.10 H new ATOM 278 N ILE A 57 -4.223 7.405 15.576 1.00 15.43 N ATOM 279 CA ILE A 57 -3.865 7.392 16.997 1.00 3.54 C ATOM 280 C ILE A 57 -3.890 8.812 17.546 1.00 74.24 C ATOM 281 O ILE A 57 -4.447 9.062 18.592 1.00 34.22 O ATOM 282 CB ILE A 57 -2.457 6.791 17.232 1.00 73.12 C ATOM 283 CG1 ILE A 57 -2.343 5.438 16.555 1.00 64.14 C ATOM 284 CG2 ILE A 57 -2.218 6.616 18.733 1.00 51.34 C ATOM 285 CD1 ILE A 57 -0.944 4.922 16.447 1.00 64.43 C ATOM 0 H ILE A 57 -3.482 7.077 14.956 1.00 15.43 H new ATOM 0 HA ILE A 57 -4.596 6.768 17.512 1.00 3.54 H new ATOM 0 HB ILE A 57 -1.714 7.469 16.812 1.00 73.12 H new ATOM 0 HG12 ILE A 57 -2.943 4.716 17.109 1.00 64.14 H new ATOM 0 HG13 ILE A 57 -2.771 5.508 15.555 1.00 64.14 H new ATOM 0 HG21 ILE A 57 -1.227 6.193 18.897 1.00 51.34 H new ATOM 0 HG22 ILE A 57 -2.285 7.585 19.228 1.00 51.34 H new ATOM 0 HG23 ILE A 57 -2.971 5.945 19.146 1.00 51.34 H new ATOM 0 HD11 ILE A 57 -0.951 3.951 15.951 1.00 64.43 H new ATOM 0 HD12 ILE A 57 -0.342 5.621 15.866 1.00 64.43 H new ATOM 0 HD13 ILE A 57 -0.517 4.817 17.444 1.00 64.43 H new ATOM 297 N ALA A 58 -3.345 9.748 16.778 1.00 24.51 N ATOM 298 CA ALA A 58 -3.288 11.155 17.181 1.00 72.44 C ATOM 299 C ALA A 58 -4.692 11.755 17.347 1.00 52.44 C ATOM 300 O ALA A 58 -4.885 12.726 18.081 1.00 44.52 O ATOM 301 CB ALA A 58 -2.489 11.961 16.169 1.00 71.43 C ATOM 0 H ALA A 58 -2.932 9.559 15.865 1.00 24.51 H new ATOM 0 HA ALA A 58 -2.790 11.201 18.150 1.00 72.44 H new ATOM 0 HB1 ALA A 58 -2.455 13.005 16.481 1.00 71.43 H new ATOM 0 HB2 ALA A 58 -1.475 11.567 16.109 1.00 71.43 H new ATOM 0 HB3 ALA A 58 -2.964 11.890 15.191 1.00 71.43 H new ATOM 307 N ALA A 59 -5.661 11.148 16.694 1.00 34.24 N ATOM 308 CA ALA A 59 -7.028 11.606 16.742 1.00 4.13 C ATOM 309 C ALA A 59 -7.730 11.013 17.947 1.00 65.13 C ATOM 310 O ALA A 59 -8.568 11.648 18.573 1.00 13.33 O ATOM 311 CB ALA A 59 -7.747 11.225 15.466 1.00 12.33 C ATOM 0 H ALA A 59 -5.519 10.321 16.114 1.00 34.24 H new ATOM 0 HA ALA A 59 -7.039 12.692 16.834 1.00 4.13 H new ATOM 0 HB1 ALA A 59 -8.778 11.575 15.511 1.00 12.33 H new ATOM 0 HB2 ALA A 59 -7.245 11.684 14.614 1.00 12.33 H new ATOM 0 HB3 ALA A 59 -7.736 10.141 15.352 1.00 12.33 H new ATOM 317 N ALA A 60 -7.364 9.804 18.291 1.00 51.22 N ATOM 318 CA ALA A 60 -7.947 9.150 19.432 1.00 73.35 C ATOM 319 C ALA A 60 -7.270 9.608 20.713 1.00 4.25 C ATOM 320 O ALA A 60 -7.883 9.637 21.774 1.00 63.44 O ATOM 321 CB ALA A 60 -7.892 7.669 19.282 1.00 2.53 C ATOM 0 H ALA A 60 -6.663 9.253 17.795 1.00 51.22 H new ATOM 0 HA ALA A 60 -8.998 9.432 19.492 1.00 73.35 H new ATOM 0 HB1 ALA A 60 -8.339 7.198 20.157 1.00 2.53 H new ATOM 0 HB2 ALA A 60 -8.443 7.373 18.389 1.00 2.53 H new ATOM 0 HB3 ALA A 60 -6.854 7.351 19.189 1.00 2.53 H new ATOM 327 N LEU A 61 -6.023 10.005 20.600 1.00 71.42 N ATOM 328 CA LEU A 61 -5.281 10.599 21.696 1.00 13.55 C ATOM 329 C LEU A 61 -5.964 11.937 22.026 1.00 22.45 C ATOM 330 O LEU A 61 -6.050 12.363 23.183 1.00 32.14 O ATOM 331 CB LEU A 61 -3.810 10.772 21.232 1.00 54.55 C ATOM 332 CG LEU A 61 -2.717 11.091 22.273 1.00 32.53 C ATOM 333 CD1 LEU A 61 -2.808 12.500 22.782 1.00 20.14 C ATOM 334 CD2 LEU A 61 -2.777 10.121 23.428 1.00 33.11 C ATOM 0 H LEU A 61 -5.487 9.925 19.736 1.00 71.42 H new ATOM 0 HA LEU A 61 -5.273 9.985 22.597 1.00 13.55 H new ATOM 0 HB2 LEU A 61 -3.518 9.853 20.723 1.00 54.55 H new ATOM 0 HB3 LEU A 61 -3.794 11.568 20.487 1.00 54.55 H new ATOM 0 HG LEU A 61 -1.759 10.985 21.764 1.00 32.53 H new ATOM 0 HD11 LEU A 61 -2.018 12.675 23.512 1.00 20.14 H new ATOM 0 HD12 LEU A 61 -2.694 13.195 21.950 1.00 20.14 H new ATOM 0 HD13 LEU A 61 -3.778 12.654 23.254 1.00 20.14 H new ATOM 0 HD21 LEU A 61 -1.997 10.365 24.149 1.00 33.11 H new ATOM 0 HD22 LEU A 61 -3.752 10.190 23.910 1.00 33.11 H new ATOM 0 HD23 LEU A 61 -2.625 9.107 23.059 1.00 33.11 H new ATOM 346 N ASP A 62 -6.544 12.532 20.994 1.00 55.13 N ATOM 347 CA ASP A 62 -7.320 13.757 21.117 1.00 34.34 C ATOM 348 C ASP A 62 -8.677 13.434 21.772 1.00 65.12 C ATOM 349 O ASP A 62 -9.367 14.305 22.296 1.00 34.44 O ATOM 350 CB ASP A 62 -7.508 14.395 19.736 1.00 13.44 C ATOM 351 CG ASP A 62 -8.180 15.746 19.774 1.00 3.45 C ATOM 352 OD1 ASP A 62 -7.476 16.761 19.923 1.00 51.44 O ATOM 353 OD2 ASP A 62 -9.420 15.820 19.605 1.00 44.03 O ATOM 0 H ASP A 62 -6.489 12.175 20.040 1.00 55.13 H new ATOM 0 HA ASP A 62 -6.791 14.472 21.748 1.00 34.34 H new ATOM 0 HB2 ASP A 62 -6.534 14.498 19.258 1.00 13.44 H new ATOM 0 HB3 ASP A 62 -8.099 13.723 19.113 1.00 13.44 H new ATOM 358 N MET A 63 -9.044 12.166 21.773 1.00 62.32 N ATOM 359 CA MET A 63 -10.254 11.746 22.446 1.00 62.01 C ATOM 360 C MET A 63 -9.963 11.528 23.916 1.00 21.41 C ATOM 361 O MET A 63 -10.815 11.766 24.733 1.00 1.41 O ATOM 362 CB MET A 63 -10.931 10.512 21.823 1.00 12.45 C ATOM 363 CG MET A 63 -11.355 10.675 20.367 1.00 71.24 C ATOM 364 SD MET A 63 -12.389 9.305 19.761 1.00 24.43 S ATOM 365 CE MET A 63 -11.396 7.864 20.156 1.00 22.54 C ATOM 0 H MET A 63 -8.524 11.415 21.318 1.00 62.32 H new ATOM 0 HA MET A 63 -10.978 12.552 22.322 1.00 62.01 H new ATOM 0 HB2 MET A 63 -10.247 9.666 21.894 1.00 12.45 H new ATOM 0 HB3 MET A 63 -11.811 10.261 22.416 1.00 12.45 H new ATOM 0 HG2 MET A 63 -11.903 11.611 20.258 1.00 71.24 H new ATOM 0 HG3 MET A 63 -10.465 10.753 19.743 1.00 71.24 H new ATOM 0 HE1 MET A 63 -11.296 7.237 19.270 1.00 22.54 H new ATOM 0 HE2 MET A 63 -10.408 8.183 20.488 1.00 22.54 H new ATOM 0 HE3 MET A 63 -11.880 7.295 20.950 1.00 22.54 H new ATOM 375 N TYR A 64 -8.734 11.090 24.258 1.00 1.35 N ATOM 376 CA TYR A 64 -8.329 11.060 25.670 1.00 11.31 C ATOM 377 C TYR A 64 -8.328 12.524 26.147 1.00 14.14 C ATOM 378 O TYR A 64 -8.688 12.826 27.274 1.00 42.14 O ATOM 379 CB TYR A 64 -6.906 10.482 25.854 1.00 51.14 C ATOM 380 CG TYR A 64 -6.582 10.241 27.325 1.00 0.43 C ATOM 381 CD1 TYR A 64 -6.182 11.273 28.156 1.00 13.34 C ATOM 382 CD2 TYR A 64 -6.723 8.989 27.890 1.00 64.54 C ATOM 383 CE1 TYR A 64 -5.947 11.075 29.466 1.00 12.53 C ATOM 384 CE2 TYR A 64 -6.474 8.777 29.210 1.00 55.54 C ATOM 385 CZ TYR A 64 -6.086 9.835 30.001 1.00 42.55 C ATOM 386 OH TYR A 64 -5.890 9.680 31.342 1.00 45.22 O ATOM 0 H TYR A 64 -8.029 10.763 23.598 1.00 1.35 H new ATOM 0 HA TYR A 64 -9.013 10.426 26.235 1.00 11.31 H new ATOM 0 HB2 TYR A 64 -6.820 9.545 25.304 1.00 51.14 H new ATOM 0 HB3 TYR A 64 -6.176 11.170 25.428 1.00 51.14 H new ATOM 0 HD1 TYR A 64 -6.055 12.263 27.742 1.00 13.34 H new ATOM 0 HD2 TYR A 64 -7.037 8.162 27.271 1.00 64.54 H new ATOM 0 HE1 TYR A 64 -5.648 11.903 30.092 1.00 12.53 H new ATOM 0 HE2 TYR A 64 -6.580 7.789 29.633 1.00 55.54 H new ATOM 0 HH TYR A 64 -5.437 10.472 31.700 1.00 45.22 H new ATOM 396 N LYS A 65 -7.935 13.436 25.231 1.00 70.41 N ATOM 397 CA LYS A 65 -7.977 14.878 25.487 1.00 43.44 C ATOM 398 C LYS A 65 -9.402 15.322 25.833 1.00 13.14 C ATOM 399 O LYS A 65 -9.605 16.170 26.666 1.00 30.14 O ATOM 400 CB LYS A 65 -7.480 15.673 24.278 1.00 44.22 C ATOM 401 CG LYS A 65 -7.562 17.187 24.448 1.00 32.12 C ATOM 402 CD LYS A 65 -7.032 17.921 23.228 1.00 22.32 C ATOM 403 CE LYS A 65 -7.068 19.448 23.393 1.00 32.50 C ATOM 404 NZ LYS A 65 -6.133 19.947 24.438 1.00 61.45 N ATOM 0 H LYS A 65 -7.585 13.189 24.305 1.00 70.41 H new ATOM 0 HA LYS A 65 -7.318 15.078 26.332 1.00 43.44 H new ATOM 0 HB2 LYS A 65 -6.445 15.397 24.076 1.00 44.22 H new ATOM 0 HB3 LYS A 65 -8.063 15.385 23.403 1.00 44.22 H new ATOM 0 HG2 LYS A 65 -8.598 17.477 24.625 1.00 32.12 H new ATOM 0 HG3 LYS A 65 -6.992 17.485 25.328 1.00 32.12 H new ATOM 0 HD2 LYS A 65 -6.007 17.605 23.036 1.00 22.32 H new ATOM 0 HD3 LYS A 65 -7.622 17.640 22.355 1.00 22.32 H new ATOM 0 HE2 LYS A 65 -6.821 19.916 22.440 1.00 32.50 H new ATOM 0 HE3 LYS A 65 -8.083 19.756 23.646 1.00 32.50 H new ATOM 0 HZ1 LYS A 65 -6.154 20.987 24.455 1.00 61.45 H new ATOM 0 HZ2 LYS A 65 -6.423 19.580 25.367 1.00 61.45 H new ATOM 0 HZ3 LYS A 65 -5.168 19.624 24.224 1.00 61.45 H new ATOM 418 N LEU A 66 -10.363 14.739 25.170 1.00 63.22 N ATOM 419 CA LEU A 66 -11.772 15.014 25.425 1.00 51.02 C ATOM 420 C LEU A 66 -12.202 14.335 26.729 1.00 21.41 C ATOM 421 O LEU A 66 -12.977 14.883 27.515 1.00 31.14 O ATOM 422 CB LEU A 66 -12.606 14.477 24.243 1.00 41.25 C ATOM 423 CG LEU A 66 -14.132 14.615 24.329 1.00 4.44 C ATOM 424 CD1 LEU A 66 -14.552 16.072 24.356 1.00 73.23 C ATOM 425 CD2 LEU A 66 -14.796 13.884 23.174 1.00 14.02 C ATOM 0 H LEU A 66 -10.202 14.054 24.431 1.00 63.22 H new ATOM 0 HA LEU A 66 -11.931 16.088 25.523 1.00 51.02 H new ATOM 0 HB2 LEU A 66 -12.273 14.986 23.338 1.00 41.25 H new ATOM 0 HB3 LEU A 66 -12.371 13.420 24.119 1.00 41.25 H new ATOM 0 HG LEU A 66 -14.460 14.159 25.263 1.00 4.44 H new ATOM 0 HD11 LEU A 66 -15.638 16.136 24.417 1.00 73.23 H new ATOM 0 HD12 LEU A 66 -14.110 16.562 25.224 1.00 73.23 H new ATOM 0 HD13 LEU A 66 -14.210 16.566 23.447 1.00 73.23 H new ATOM 0 HD21 LEU A 66 -15.878 13.991 23.249 1.00 14.02 H new ATOM 0 HD22 LEU A 66 -14.454 14.309 22.230 1.00 14.02 H new ATOM 0 HD23 LEU A 66 -14.533 12.827 23.213 1.00 14.02 H new ATOM 437 N ASP A 67 -11.650 13.169 26.959 1.00 73.40 N ATOM 438 CA ASP A 67 -12.005 12.319 28.084 1.00 41.23 C ATOM 439 C ASP A 67 -11.432 12.858 29.412 1.00 71.24 C ATOM 440 O ASP A 67 -12.005 12.655 30.464 1.00 52.53 O ATOM 441 CB ASP A 67 -11.415 10.931 27.767 1.00 74.14 C ATOM 442 CG ASP A 67 -11.729 9.826 28.740 1.00 74.00 C ATOM 443 OD1 ASP A 67 -11.045 9.714 29.769 1.00 11.40 O ATOM 444 OD2 ASP A 67 -12.609 9.004 28.434 1.00 72.22 O ATOM 0 H ASP A 67 -10.926 12.770 26.361 1.00 73.40 H new ATOM 0 HA ASP A 67 -13.087 12.283 28.213 1.00 41.23 H new ATOM 0 HB2 ASP A 67 -11.769 10.628 26.782 1.00 74.14 H new ATOM 0 HB3 ASP A 67 -10.331 11.029 27.701 1.00 74.14 H new ATOM 449 N ASN A 68 -10.355 13.635 29.345 1.00 53.03 N ATOM 450 CA ASN A 68 -9.745 14.250 30.563 1.00 42.52 C ATOM 451 C ASN A 68 -9.566 15.682 30.379 1.00 73.13 C ATOM 452 O ASN A 68 -8.742 16.273 31.082 1.00 14.13 O ATOM 453 CB ASN A 68 -8.369 13.683 30.950 1.00 42.53 C ATOM 454 CG ASN A 68 -8.301 12.230 31.421 1.00 24.32 C ATOM 455 OD1 ASN A 68 -9.053 11.363 30.827 1.00 2.30 O flip ATOM 456 ND2 ASN A 68 -7.486 11.888 32.290 1.00 40.33 N flip ATOM 0 H ASN A 68 -9.875 13.864 28.475 1.00 53.03 H new ATOM 0 HA ASN A 68 -10.450 14.014 31.360 1.00 42.52 H new ATOM 0 HB2 ASN A 68 -7.710 13.786 30.088 1.00 42.53 H new ATOM 0 HB3 ASN A 68 -7.959 14.311 31.741 1.00 42.53 H new ATOM 0 HD21 ASN A 68 -6.902 12.589 32.746 1.00 40.33 H new ATOM 0 HD22 ASN A 68 -7.399 10.905 32.549 1.00 40.33 H new ATOM 463 N PHE A 69 -10.354 16.263 29.459 1.00 55.23 N ATOM 464 CA PHE A 69 -10.358 17.714 29.114 1.00 62.21 C ATOM 465 C PHE A 69 -8.953 18.303 29.015 1.00 64.13 C ATOM 466 O PHE A 69 -8.756 19.519 29.171 1.00 63.32 O ATOM 467 CB PHE A 69 -11.225 18.498 30.121 1.00 23.43 C ATOM 468 CG PHE A 69 -10.960 18.173 31.566 1.00 65.42 C ATOM 469 CD1 PHE A 69 -9.913 18.714 32.225 1.00 65.23 C ATOM 470 CD2 PHE A 69 -11.780 17.332 32.233 1.00 31.04 C ATOM 471 CE1 PHE A 69 -9.674 18.436 33.535 1.00 40.52 C ATOM 472 CE2 PHE A 69 -11.569 17.022 33.538 1.00 2.55 C ATOM 473 CZ PHE A 69 -10.511 17.580 34.204 1.00 62.34 C ATOM 0 H PHE A 69 -11.030 15.729 28.913 1.00 55.23 H new ATOM 0 HA PHE A 69 -10.796 17.810 28.120 1.00 62.21 H new ATOM 0 HB2 PHE A 69 -11.062 19.565 29.967 1.00 23.43 H new ATOM 0 HB3 PHE A 69 -12.275 18.302 29.905 1.00 23.43 H new ATOM 0 HD1 PHE A 69 -9.249 19.384 31.699 1.00 65.23 H new ATOM 0 HD2 PHE A 69 -12.623 16.896 31.717 1.00 31.04 H new ATOM 0 HE1 PHE A 69 -8.833 18.885 34.043 1.00 40.52 H new ATOM 0 HE2 PHE A 69 -12.232 16.339 34.048 1.00 2.55 H new ATOM 0 HZ PHE A 69 -10.337 17.349 35.245 1.00 62.34 H new ATOM 483 N ALA A 70 -8.030 17.473 28.596 1.00 55.11 N ATOM 484 CA ALA A 70 -6.634 17.775 28.568 1.00 43.33 C ATOM 485 C ALA A 70 -5.908 16.554 28.081 1.00 32.34 C ATOM 486 O ALA A 70 -6.480 15.458 28.087 1.00 51.40 O ATOM 487 CB ALA A 70 -6.164 18.111 29.972 1.00 71.22 C ATOM 0 H ALA A 70 -8.246 16.537 28.254 1.00 55.11 H new ATOM 0 HA ALA A 70 -6.439 18.624 27.913 1.00 43.33 H new ATOM 0 HB1 ALA A 70 -5.099 18.342 29.954 1.00 71.22 H new ATOM 0 HB2 ALA A 70 -6.716 18.974 30.344 1.00 71.22 H new ATOM 0 HB3 ALA A 70 -6.339 17.258 30.628 1.00 71.22 H new ATOM 493 N TYR A 71 -4.698 16.726 27.634 1.00 40.24 N ATOM 494 CA TYR A 71 -3.877 15.608 27.248 1.00 73.14 C ATOM 495 C TYR A 71 -3.326 14.862 28.460 1.00 71.50 C ATOM 496 O TYR A 71 -3.225 15.428 29.551 1.00 64.31 O ATOM 497 CB TYR A 71 -2.750 16.040 26.304 1.00 53.42 C ATOM 498 CG TYR A 71 -3.228 16.270 24.905 1.00 4.31 C ATOM 499 CD1 TYR A 71 -3.951 15.291 24.258 1.00 40.32 C ATOM 500 CD2 TYR A 71 -2.953 17.436 24.227 1.00 0.30 C ATOM 501 CE1 TYR A 71 -4.391 15.454 22.981 1.00 35.53 C ATOM 502 CE2 TYR A 71 -3.394 17.616 22.929 1.00 44.13 C ATOM 503 CZ TYR A 71 -4.117 16.614 22.307 1.00 61.32 C ATOM 504 OH TYR A 71 -4.569 16.781 21.011 1.00 11.44 O ATOM 0 H TYR A 71 -4.252 17.637 27.526 1.00 40.24 H new ATOM 0 HA TYR A 71 -4.518 14.914 26.704 1.00 73.14 H new ATOM 0 HB2 TYR A 71 -2.294 16.955 26.683 1.00 53.42 H new ATOM 0 HB3 TYR A 71 -1.973 15.275 26.298 1.00 53.42 H new ATOM 0 HD1 TYR A 71 -4.174 14.371 24.778 1.00 40.32 H new ATOM 0 HD2 TYR A 71 -2.388 18.217 24.713 1.00 0.30 H new ATOM 0 HE1 TYR A 71 -4.956 14.669 22.499 1.00 35.53 H new ATOM 0 HE2 TYR A 71 -3.175 18.534 22.404 1.00 44.13 H new ATOM 0 HH TYR A 71 -5.547 16.720 20.995 1.00 11.44 H new ATOM 514 N PRO A 72 -3.001 13.569 28.291 1.00 1.33 N ATOM 515 CA PRO A 72 -2.397 12.756 29.357 1.00 5.21 C ATOM 516 C PRO A 72 -0.982 13.267 29.685 1.00 31.11 C ATOM 517 O PRO A 72 -0.378 13.921 28.864 1.00 72.30 O ATOM 518 CB PRO A 72 -2.317 11.359 28.701 1.00 2.54 C ATOM 519 CG PRO A 72 -2.329 11.601 27.243 1.00 20.11 C ATOM 520 CD PRO A 72 -3.195 12.790 27.044 1.00 61.43 C ATOM 0 HA PRO A 72 -2.956 12.775 30.292 1.00 5.21 H new ATOM 0 HB2 PRO A 72 -1.410 10.836 29.004 1.00 2.54 H new ATOM 0 HB3 PRO A 72 -3.160 10.736 29.002 1.00 2.54 H new ATOM 0 HG2 PRO A 72 -1.322 11.782 26.867 1.00 20.11 H new ATOM 0 HG3 PRO A 72 -2.719 10.737 26.705 1.00 20.11 H new ATOM 0 HD2 PRO A 72 -2.898 13.360 26.164 1.00 61.43 H new ATOM 0 HD3 PRO A 72 -4.239 12.508 26.905 1.00 61.43 H new ATOM 528 N SER A 73 -0.452 12.989 30.863 1.00 61.14 N ATOM 529 CA SER A 73 0.907 13.414 31.150 1.00 23.30 C ATOM 530 C SER A 73 1.816 12.252 30.819 1.00 74.23 C ATOM 531 O SER A 73 1.364 11.131 30.836 1.00 44.21 O ATOM 532 CB SER A 73 1.027 13.828 32.611 1.00 4.30 C ATOM 533 OG SER A 73 0.534 12.815 33.458 1.00 74.44 O ATOM 0 H SER A 73 -0.924 12.487 31.615 1.00 61.14 H new ATOM 0 HA SER A 73 1.188 14.282 30.553 1.00 23.30 H new ATOM 0 HB2 SER A 73 2.070 14.034 32.851 1.00 4.30 H new ATOM 0 HB3 SER A 73 0.473 14.751 32.779 1.00 4.30 H new ATOM 0 HG SER A 73 0.750 13.033 34.389 1.00 74.44 H new ATOM 539 N THR A 74 3.073 12.468 30.519 1.00 53.43 N ATOM 540 CA THR A 74 3.898 11.343 30.129 1.00 64.41 C ATOM 541 C THR A 74 4.234 10.442 31.348 1.00 72.53 C ATOM 542 O THR A 74 4.855 9.389 31.224 1.00 13.32 O ATOM 543 CB THR A 74 5.144 11.766 29.291 1.00 72.14 C ATOM 544 OG1 THR A 74 5.492 10.704 28.382 1.00 71.03 O ATOM 545 CG2 THR A 74 6.338 12.078 30.175 1.00 54.22 C ATOM 0 H THR A 74 3.538 13.376 30.534 1.00 53.43 H new ATOM 0 HA THR A 74 3.311 10.727 29.448 1.00 64.41 H new ATOM 0 HB THR A 74 4.886 12.671 28.741 1.00 72.14 H new ATOM 0 HG1 THR A 74 6.274 10.969 27.854 1.00 71.03 H new ATOM 0 HG21 THR A 74 7.185 12.368 29.553 1.00 54.22 H new ATOM 0 HG22 THR A 74 6.087 12.896 30.851 1.00 54.22 H new ATOM 0 HG23 THR A 74 6.601 11.194 30.757 1.00 54.22 H new ATOM 553 N GLN A 75 3.816 10.870 32.525 1.00 11.14 N ATOM 554 CA GLN A 75 3.877 10.013 33.659 1.00 32.21 C ATOM 555 C GLN A 75 2.483 9.451 33.976 1.00 32.42 C ATOM 556 O GLN A 75 2.213 8.267 33.721 1.00 42.32 O ATOM 557 CB GLN A 75 4.487 10.722 34.877 1.00 21.23 C ATOM 558 CG GLN A 75 4.511 9.859 36.141 1.00 13.34 C ATOM 559 CD GLN A 75 5.224 8.522 35.960 1.00 42.13 C ATOM 560 OE1 GLN A 75 6.221 8.474 35.115 1.00 13.24 O flip ATOM 561 NE2 GLN A 75 4.872 7.531 36.597 1.00 51.45 N flip ATOM 0 H GLN A 75 3.437 11.800 32.704 1.00 11.14 H new ATOM 0 HA GLN A 75 4.537 9.180 33.417 1.00 32.21 H new ATOM 0 HB2 GLN A 75 5.505 11.028 34.637 1.00 21.23 H new ATOM 0 HB3 GLN A 75 3.921 11.631 35.079 1.00 21.23 H new ATOM 0 HG2 GLN A 75 5.000 10.416 36.941 1.00 13.34 H new ATOM 0 HG3 GLN A 75 3.486 9.673 36.462 1.00 13.34 H new ATOM 0 HE21 GLN A 75 4.091 7.595 37.250 1.00 51.45 H new ATOM 0 HE22 GLN A 75 5.361 6.645 36.473 1.00 51.45 H new ATOM 570 N GLN A 76 1.552 10.328 34.382 1.00 51.24 N ATOM 571 CA GLN A 76 0.247 9.869 34.846 1.00 30.10 C ATOM 572 C GLN A 76 -0.575 9.446 33.680 1.00 43.53 C ATOM 573 O GLN A 76 -1.149 8.370 33.687 1.00 41.05 O ATOM 574 CB GLN A 76 -0.500 10.961 35.617 1.00 13.43 C ATOM 575 CG GLN A 76 0.242 11.547 36.806 1.00 65.41 C ATOM 576 CD GLN A 76 -0.553 12.655 37.476 1.00 15.20 C ATOM 577 OE1 GLN A 76 -1.339 13.354 36.833 1.00 65.21 O ATOM 578 NE2 GLN A 76 -0.369 12.821 38.759 1.00 71.31 N ATOM 0 H GLN A 76 1.680 11.340 34.397 1.00 51.24 H new ATOM 0 HA GLN A 76 0.412 9.029 35.521 1.00 30.10 H new ATOM 0 HB2 GLN A 76 -0.740 11.769 34.926 1.00 13.43 H new ATOM 0 HB3 GLN A 76 -1.447 10.550 35.968 1.00 13.43 H new ATOM 0 HG2 GLN A 76 0.449 10.759 37.530 1.00 65.41 H new ATOM 0 HG3 GLN A 76 1.205 11.938 36.477 1.00 65.41 H new ATOM 0 HE21 GLN A 76 0.289 12.225 39.261 1.00 71.31 H new ATOM 0 HE22 GLN A 76 -0.884 13.546 39.258 1.00 71.31 H new ATOM 587 N GLY A 77 -0.575 10.270 32.651 1.00 30.03 N ATOM 588 CA GLY A 77 -1.350 9.980 31.504 1.00 73.52 C ATOM 589 C GLY A 77 -0.800 8.840 30.666 1.00 61.55 C ATOM 590 O GLY A 77 -1.520 8.276 29.890 1.00 33.34 O ATOM 0 H GLY A 77 -0.042 11.139 32.604 1.00 30.03 H new ATOM 0 HA2 GLY A 77 -2.365 9.733 31.816 1.00 73.52 H new ATOM 0 HA3 GLY A 77 -1.415 10.875 30.885 1.00 73.52 H new ATOM 594 N LEU A 78 0.481 8.512 30.816 1.00 72.43 N ATOM 595 CA LEU A 78 1.049 7.417 30.044 1.00 52.14 C ATOM 596 C LEU A 78 0.520 6.129 30.613 1.00 22.42 C ATOM 597 O LEU A 78 -0.019 5.268 29.876 1.00 13.23 O ATOM 598 CB LEU A 78 2.596 7.473 30.041 1.00 2.41 C ATOM 599 CG LEU A 78 3.357 6.519 29.078 1.00 22.23 C ATOM 600 CD1 LEU A 78 4.781 6.996 28.903 1.00 31.02 C ATOM 601 CD2 LEU A 78 3.385 5.080 29.595 1.00 1.14 C ATOM 0 H LEU A 78 1.130 8.978 31.450 1.00 72.43 H new ATOM 0 HA LEU A 78 0.752 7.495 28.998 1.00 52.14 H new ATOM 0 HB2 LEU A 78 2.893 8.494 29.803 1.00 2.41 H new ATOM 0 HB3 LEU A 78 2.940 7.269 31.055 1.00 2.41 H new ATOM 0 HG LEU A 78 2.825 6.532 28.127 1.00 22.23 H new ATOM 0 HD11 LEU A 78 5.309 6.324 28.227 1.00 31.02 H new ATOM 0 HD12 LEU A 78 4.779 8.003 28.485 1.00 31.02 H new ATOM 0 HD13 LEU A 78 5.283 7.006 29.871 1.00 31.02 H new ATOM 0 HD21 LEU A 78 3.927 4.450 28.889 1.00 1.14 H new ATOM 0 HD22 LEU A 78 3.883 5.051 30.564 1.00 1.14 H new ATOM 0 HD23 LEU A 78 2.365 4.711 29.701 1.00 1.14 H new ATOM 613 N GLU A 79 0.605 6.013 31.937 1.00 71.21 N ATOM 614 CA GLU A 79 0.077 4.905 32.608 1.00 5.43 C ATOM 615 C GLU A 79 -1.419 4.867 32.362 1.00 25.44 C ATOM 616 O GLU A 79 -1.963 3.836 32.135 1.00 5.14 O ATOM 617 CB GLU A 79 0.358 5.003 34.091 1.00 13.01 C ATOM 618 CG GLU A 79 0.143 3.696 34.768 1.00 45.22 C ATOM 619 CD GLU A 79 0.260 3.750 36.263 1.00 14.32 C ATOM 620 OE1 GLU A 79 1.372 3.990 36.778 1.00 72.22 O ATOM 621 OE2 GLU A 79 -0.768 3.555 36.960 1.00 12.55 O ATOM 0 H GLU A 79 1.048 6.703 32.543 1.00 71.21 H new ATOM 0 HA GLU A 79 0.542 3.992 32.236 1.00 5.43 H new ATOM 0 HB2 GLU A 79 1.385 5.332 34.248 1.00 13.01 H new ATOM 0 HB3 GLU A 79 -0.290 5.757 34.537 1.00 13.01 H new ATOM 0 HG2 GLU A 79 -0.847 3.322 34.506 1.00 45.22 H new ATOM 0 HG3 GLU A 79 0.867 2.977 34.384 1.00 45.22 H new ATOM 628 N ALA A 80 -2.033 6.038 32.321 1.00 44.30 N ATOM 629 CA ALA A 80 -3.468 6.183 32.097 1.00 63.31 C ATOM 630 C ALA A 80 -3.865 6.016 30.628 1.00 4.43 C ATOM 631 O ALA A 80 -5.040 6.046 30.289 1.00 61.05 O ATOM 632 CB ALA A 80 -3.925 7.517 32.578 1.00 55.01 C ATOM 0 H ALA A 80 -1.547 6.926 32.443 1.00 44.30 H new ATOM 0 HA ALA A 80 -3.953 5.385 32.659 1.00 63.31 H new ATOM 0 HB1 ALA A 80 -4.997 7.618 32.407 1.00 55.01 H new ATOM 0 HB2 ALA A 80 -3.717 7.610 33.644 1.00 55.01 H new ATOM 0 HB3 ALA A 80 -3.396 8.300 32.035 1.00 55.01 H new ATOM 638 N LEU A 81 -2.909 5.885 29.766 1.00 15.30 N ATOM 639 CA LEU A 81 -3.206 5.685 28.373 1.00 31.05 C ATOM 640 C LEU A 81 -3.205 4.189 28.092 1.00 32.12 C ATOM 641 O LEU A 81 -3.806 3.701 27.122 1.00 11.31 O ATOM 642 CB LEU A 81 -2.159 6.396 27.520 1.00 53.42 C ATOM 643 CG LEU A 81 -2.533 6.681 26.082 1.00 43.31 C ATOM 644 CD1 LEU A 81 -3.718 7.638 26.011 1.00 0.52 C ATOM 645 CD2 LEU A 81 -1.336 7.239 25.329 1.00 30.53 C ATOM 0 H LEU A 81 -1.915 5.912 29.995 1.00 15.30 H new ATOM 0 HA LEU A 81 -4.184 6.099 28.127 1.00 31.05 H new ATOM 0 HB2 LEU A 81 -1.914 7.343 28.002 1.00 53.42 H new ATOM 0 HB3 LEU A 81 -1.251 5.792 27.522 1.00 53.42 H new ATOM 0 HG LEU A 81 -2.832 5.746 25.608 1.00 43.31 H new ATOM 0 HD11 LEU A 81 -3.970 7.829 24.968 1.00 0.52 H new ATOM 0 HD12 LEU A 81 -4.576 7.193 26.516 1.00 0.52 H new ATOM 0 HD13 LEU A 81 -3.457 8.577 26.499 1.00 0.52 H new ATOM 0 HD21 LEU A 81 -1.618 7.440 24.295 1.00 30.53 H new ATOM 0 HD22 LEU A 81 -1.008 8.164 25.802 1.00 30.53 H new ATOM 0 HD23 LEU A 81 -0.523 6.513 25.349 1.00 30.53 H new ATOM 657 N VAL A 82 -2.504 3.468 28.936 1.00 2.43 N ATOM 658 CA VAL A 82 -2.419 2.024 28.835 1.00 35.11 C ATOM 659 C VAL A 82 -3.380 1.349 29.850 1.00 54.33 C ATOM 660 O VAL A 82 -4.053 0.366 29.545 1.00 4.03 O ATOM 661 CB VAL A 82 -0.959 1.560 29.110 1.00 20.42 C ATOM 662 CG1 VAL A 82 -0.801 0.068 28.916 1.00 63.52 C ATOM 663 CG2 VAL A 82 0.025 2.315 28.229 1.00 60.51 C ATOM 0 H VAL A 82 -1.975 3.863 29.713 1.00 2.43 H new ATOM 0 HA VAL A 82 -2.711 1.730 27.827 1.00 35.11 H new ATOM 0 HB VAL A 82 -0.739 1.786 30.153 1.00 20.42 H new ATOM 0 HG11 VAL A 82 0.231 -0.218 29.117 1.00 63.52 H new ATOM 0 HG12 VAL A 82 -1.464 -0.460 29.601 1.00 63.52 H new ATOM 0 HG13 VAL A 82 -1.057 -0.195 27.889 1.00 63.52 H new ATOM 0 HG21 VAL A 82 1.038 1.973 28.440 1.00 60.51 H new ATOM 0 HG22 VAL A 82 -0.210 2.131 27.181 1.00 60.51 H new ATOM 0 HG23 VAL A 82 -0.048 3.383 28.435 1.00 60.51 H new ATOM 673 N LYS A 83 -3.453 1.931 31.003 1.00 33.31 N ATOM 674 CA LYS A 83 -4.181 1.458 32.167 1.00 51.44 C ATOM 675 C LYS A 83 -5.145 2.577 32.584 1.00 13.03 C ATOM 676 O LYS A 83 -4.870 3.705 32.316 1.00 2.42 O ATOM 677 CB LYS A 83 -3.109 1.144 33.231 1.00 2.44 C ATOM 678 CG LYS A 83 -3.552 0.893 34.651 1.00 71.04 C ATOM 679 CD LYS A 83 -2.343 0.459 35.470 1.00 12.45 C ATOM 680 CE LYS A 83 -2.607 0.467 36.956 1.00 72.44 C ATOM 681 NZ LYS A 83 -2.782 1.838 37.466 1.00 63.20 N ATOM 0 H LYS A 83 -2.976 2.814 31.183 1.00 33.31 H new ATOM 0 HA LYS A 83 -4.779 0.562 31.999 1.00 51.44 H new ATOM 0 HB2 LYS A 83 -2.558 0.265 32.896 1.00 2.44 H new ATOM 0 HB3 LYS A 83 -2.404 1.976 33.246 1.00 2.44 H new ATOM 0 HG2 LYS A 83 -3.991 1.796 35.075 1.00 71.04 H new ATOM 0 HG3 LYS A 83 -4.322 0.122 34.676 1.00 71.04 H new ATOM 0 HD2 LYS A 83 -2.044 -0.544 35.164 1.00 12.45 H new ATOM 0 HD3 LYS A 83 -1.505 1.121 35.251 1.00 12.45 H new ATOM 0 HE2 LYS A 83 -3.501 -0.119 37.171 1.00 72.44 H new ATOM 0 HE3 LYS A 83 -1.778 -0.013 37.476 1.00 72.44 H new ATOM 0 HZ1 LYS A 83 -2.591 1.855 38.488 1.00 63.20 H new ATOM 0 HZ2 LYS A 83 -2.121 2.477 36.979 1.00 63.20 H new ATOM 0 HZ3 LYS A 83 -3.758 2.151 37.291 1.00 63.20 H new ATOM 695 N LYS A 84 -6.285 2.247 33.185 1.00 34.43 N ATOM 696 CA LYS A 84 -7.347 3.251 33.467 1.00 2.50 C ATOM 697 C LYS A 84 -6.836 4.471 34.260 1.00 1.21 C ATOM 698 O LYS A 84 -5.998 4.334 35.159 1.00 30.24 O ATOM 699 CB LYS A 84 -8.538 2.597 34.168 1.00 33.32 C ATOM 700 CG LYS A 84 -9.184 1.504 33.335 1.00 52.24 C ATOM 701 CD LYS A 84 -10.368 0.864 34.030 1.00 3.13 C ATOM 702 CE LYS A 84 -11.544 1.818 34.142 1.00 74.23 C ATOM 703 NZ LYS A 84 -12.675 1.204 34.846 1.00 4.45 N ATOM 0 H LYS A 84 -6.511 1.301 33.491 1.00 34.43 H new ATOM 0 HA LYS A 84 -7.675 3.635 32.501 1.00 2.50 H new ATOM 0 HB2 LYS A 84 -8.208 2.176 35.118 1.00 33.32 H new ATOM 0 HB3 LYS A 84 -9.282 3.360 34.398 1.00 33.32 H new ATOM 0 HG2 LYS A 84 -9.509 1.923 32.383 1.00 52.24 H new ATOM 0 HG3 LYS A 84 -8.442 0.738 33.110 1.00 52.24 H new ATOM 0 HD2 LYS A 84 -10.674 -0.026 33.480 1.00 3.13 H new ATOM 0 HD3 LYS A 84 -10.070 0.536 35.026 1.00 3.13 H new ATOM 0 HE2 LYS A 84 -11.233 2.719 34.670 1.00 74.23 H new ATOM 0 HE3 LYS A 84 -11.859 2.126 33.145 1.00 74.23 H new ATOM 0 HZ1 LYS A 84 -13.459 1.885 34.903 1.00 4.45 H new ATOM 0 HZ2 LYS A 84 -12.988 0.358 34.328 1.00 4.45 H new ATOM 0 HZ3 LYS A 84 -12.381 0.933 35.806 1.00 4.45 H new ATOM 717 N PRO A 85 -7.356 5.679 33.904 1.00 53.33 N ATOM 718 CA PRO A 85 -6.907 6.982 34.426 1.00 33.51 C ATOM 719 C PRO A 85 -6.693 7.060 35.933 1.00 13.41 C ATOM 720 O PRO A 85 -7.501 6.564 36.734 1.00 25.02 O ATOM 721 CB PRO A 85 -8.005 7.965 33.975 1.00 52.21 C ATOM 722 CG PRO A 85 -9.105 7.108 33.451 1.00 54.34 C ATOM 723 CD PRO A 85 -8.446 5.874 32.944 1.00 40.41 C ATOM 0 HA PRO A 85 -5.913 7.203 34.038 1.00 33.51 H new ATOM 0 HB2 PRO A 85 -8.348 8.581 34.806 1.00 52.21 H new ATOM 0 HB3 PRO A 85 -7.635 8.644 33.207 1.00 52.21 H new ATOM 0 HG2 PRO A 85 -9.826 6.874 34.234 1.00 54.34 H new ATOM 0 HG3 PRO A 85 -9.652 7.615 32.656 1.00 54.34 H new ATOM 0 HD2 PRO A 85 -9.130 5.026 32.929 1.00 40.41 H new ATOM 0 HD3 PRO A 85 -8.074 6.001 31.928 1.00 40.41 H new ATOM 731 N THR A 86 -5.595 7.690 36.300 1.00 11.22 N ATOM 732 CA THR A 86 -5.221 7.894 37.679 1.00 44.40 C ATOM 733 C THR A 86 -5.565 9.335 38.082 1.00 23.00 C ATOM 734 O THR A 86 -5.528 9.706 39.261 1.00 14.22 O ATOM 735 CB THR A 86 -3.692 7.608 37.882 1.00 2.21 C ATOM 736 OG1 THR A 86 -3.300 7.751 39.260 1.00 21.44 O ATOM 737 CG2 THR A 86 -2.830 8.517 37.013 1.00 51.45 C ATOM 0 H THR A 86 -4.928 8.080 35.634 1.00 11.22 H new ATOM 0 HA THR A 86 -5.774 7.202 38.313 1.00 44.40 H new ATOM 0 HB THR A 86 -3.531 6.574 37.578 1.00 2.21 H new ATOM 0 HG1 THR A 86 -3.968 8.287 39.736 1.00 21.44 H new ATOM 0 HG21 THR A 86 -1.777 8.290 37.181 1.00 51.45 H new ATOM 0 HG22 THR A 86 -3.073 8.354 35.963 1.00 51.45 H new ATOM 0 HG23 THR A 86 -3.022 9.558 37.273 1.00 51.45 H new ATOM 745 N GLY A 87 -5.893 10.132 37.093 1.00 1.44 N ATOM 746 CA GLY A 87 -6.258 11.496 37.325 1.00 44.34 C ATOM 747 C GLY A 87 -7.753 11.654 37.360 1.00 31.45 C ATOM 748 O GLY A 87 -8.480 10.717 37.749 1.00 52.43 O ATOM 0 H GLY A 87 -5.912 9.849 36.113 1.00 1.44 H new ATOM 0 HA2 GLY A 87 -5.830 11.835 38.268 1.00 44.34 H new ATOM 0 HA3 GLY A 87 -5.840 12.127 36.540 1.00 44.34 H new ATOM 752 N ASN A 88 -8.226 12.794 36.938 1.00 33.12 N ATOM 753 CA ASN A 88 -9.647 13.075 36.943 1.00 55.13 C ATOM 754 C ASN A 88 -10.174 13.297 35.529 1.00 73.13 C ATOM 755 O ASN A 88 -9.907 14.322 34.893 1.00 75.13 O ATOM 756 CB ASN A 88 -10.016 14.236 37.915 1.00 72.04 C ATOM 757 CG ASN A 88 -9.281 15.546 37.661 1.00 1.02 C ATOM 758 OD1 ASN A 88 -9.762 16.429 36.958 1.00 34.34 O ATOM 759 ND2 ASN A 88 -8.112 15.679 38.233 1.00 33.32 N ATOM 0 H ASN A 88 -7.647 13.554 36.582 1.00 33.12 H new ATOM 0 HA ASN A 88 -10.153 12.191 37.332 1.00 55.13 H new ATOM 0 HB2 ASN A 88 -11.088 14.419 37.847 1.00 72.04 H new ATOM 0 HB3 ASN A 88 -9.811 13.914 38.936 1.00 72.04 H new ATOM 0 HD21 ASN A 88 -7.574 16.535 38.100 1.00 33.32 H new ATOM 0 HD22 ASN A 88 -7.739 14.927 38.812 1.00 33.32 H new ATOM 766 N PRO A 89 -10.820 12.265 34.971 1.00 74.41 N ATOM 767 CA PRO A 89 -11.454 12.321 33.675 1.00 21.44 C ATOM 768 C PRO A 89 -12.982 12.538 33.774 1.00 54.22 C ATOM 769 O PRO A 89 -13.605 12.326 34.835 1.00 45.20 O ATOM 770 CB PRO A 89 -11.153 10.931 33.111 1.00 52.42 C ATOM 771 CG PRO A 89 -11.092 10.027 34.308 1.00 61.23 C ATOM 772 CD PRO A 89 -10.930 10.907 35.534 1.00 45.25 C ATOM 0 HA PRO A 89 -11.092 13.150 33.066 1.00 21.44 H new ATOM 0 HB2 PRO A 89 -11.929 10.612 32.415 1.00 52.42 H new ATOM 0 HB3 PRO A 89 -10.211 10.924 32.563 1.00 52.42 H new ATOM 0 HG2 PRO A 89 -11.999 9.428 34.383 1.00 61.23 H new ATOM 0 HG3 PRO A 89 -10.257 9.332 34.222 1.00 61.23 H new ATOM 0 HD2 PRO A 89 -11.783 10.819 36.207 1.00 45.25 H new ATOM 0 HD3 PRO A 89 -10.043 10.637 36.107 1.00 45.25 H new ATOM 780 N GLN A 90 -13.563 12.942 32.682 1.00 3.42 N ATOM 781 CA GLN A 90 -14.992 13.153 32.580 1.00 74.21 C ATOM 782 C GLN A 90 -15.630 11.832 32.191 1.00 54.44 C ATOM 783 O GLN A 90 -14.928 10.964 31.681 1.00 61.25 O ATOM 784 CB GLN A 90 -15.276 14.199 31.512 1.00 10.30 C ATOM 785 CG GLN A 90 -14.788 15.574 31.867 1.00 11.44 C ATOM 786 CD GLN A 90 -15.543 16.177 33.026 1.00 44.43 C ATOM 787 OE1 GLN A 90 -16.727 15.899 33.238 1.00 34.13 O ATOM 788 NE2 GLN A 90 -14.888 17.011 33.766 1.00 43.51 N ATOM 0 H GLN A 90 -13.056 13.139 31.819 1.00 3.42 H new ATOM 0 HA GLN A 90 -15.398 13.504 33.529 1.00 74.21 H new ATOM 0 HB2 GLN A 90 -14.809 13.887 30.578 1.00 10.30 H new ATOM 0 HB3 GLN A 90 -16.350 14.240 31.333 1.00 10.30 H new ATOM 0 HG2 GLN A 90 -13.728 15.526 32.115 1.00 11.44 H new ATOM 0 HG3 GLN A 90 -14.884 16.225 30.998 1.00 11.44 H new ATOM 0 HE21 GLN A 90 -13.910 17.216 33.560 1.00 43.51 H new ATOM 0 HE22 GLN A 90 -15.349 17.463 34.555 1.00 43.51 H new ATOM 797 N PRO A 91 -16.938 11.625 32.433 1.00 41.32 N ATOM 798 CA PRO A 91 -17.593 10.365 32.081 1.00 61.22 C ATOM 799 C PRO A 91 -17.605 10.099 30.564 1.00 74.22 C ATOM 800 O PRO A 91 -18.417 10.663 29.809 1.00 3.03 O ATOM 801 CB PRO A 91 -19.021 10.525 32.615 1.00 43.14 C ATOM 802 CG PRO A 91 -18.942 11.647 33.595 1.00 23.21 C ATOM 803 CD PRO A 91 -17.869 12.560 33.084 1.00 64.24 C ATOM 0 HA PRO A 91 -17.064 9.512 32.507 1.00 61.22 H new ATOM 0 HB2 PRO A 91 -19.720 10.752 31.810 1.00 43.14 H new ATOM 0 HB3 PRO A 91 -19.370 9.609 33.091 1.00 43.14 H new ATOM 0 HG2 PRO A 91 -19.896 12.169 33.670 1.00 23.21 H new ATOM 0 HG3 PRO A 91 -18.700 11.279 34.592 1.00 23.21 H new ATOM 0 HD2 PRO A 91 -18.262 13.295 32.382 1.00 64.24 H new ATOM 0 HD3 PRO A 91 -17.389 13.114 33.891 1.00 64.24 H new ATOM 811 N LYS A 92 -16.660 9.292 30.146 1.00 34.31 N ATOM 812 CA LYS A 92 -16.484 8.821 28.795 1.00 35.33 C ATOM 813 C LYS A 92 -15.844 7.448 28.898 1.00 10.32 C ATOM 814 O LYS A 92 -15.115 7.173 29.867 1.00 13.12 O ATOM 815 CB LYS A 92 -15.578 9.707 27.898 1.00 1.31 C ATOM 816 CG LYS A 92 -16.045 11.118 27.497 1.00 4.11 C ATOM 817 CD LYS A 92 -15.840 12.148 28.587 1.00 22.02 C ATOM 818 CE LYS A 92 -16.109 13.554 28.076 1.00 2.24 C ATOM 819 NZ LYS A 92 -17.526 13.776 27.735 1.00 10.25 N ATOM 0 H LYS A 92 -15.950 8.925 30.780 1.00 34.31 H new ATOM 0 HA LYS A 92 -17.465 8.829 28.320 1.00 35.33 H new ATOM 0 HB2 LYS A 92 -14.620 9.814 28.408 1.00 1.31 H new ATOM 0 HB3 LYS A 92 -15.389 9.153 26.978 1.00 1.31 H new ATOM 0 HG2 LYS A 92 -15.505 11.432 26.604 1.00 4.11 H new ATOM 0 HG3 LYS A 92 -17.102 11.082 27.234 1.00 4.11 H new ATOM 0 HD2 LYS A 92 -16.502 11.930 29.425 1.00 22.02 H new ATOM 0 HD3 LYS A 92 -14.819 12.085 28.963 1.00 22.02 H new ATOM 0 HE2 LYS A 92 -15.805 14.276 28.834 1.00 2.24 H new ATOM 0 HE3 LYS A 92 -15.495 13.739 27.195 1.00 2.24 H new ATOM 0 HZ1 LYS A 92 -17.652 14.750 27.392 1.00 10.25 H new ATOM 0 HZ2 LYS A 92 -17.813 13.108 26.992 1.00 10.25 H new ATOM 0 HZ3 LYS A 92 -18.114 13.627 28.580 1.00 10.25 H new ATOM 833 N ASN A 93 -16.149 6.581 27.970 1.00 2.25 N ATOM 834 CA ASN A 93 -15.621 5.225 27.983 1.00 61.32 C ATOM 835 C ASN A 93 -14.180 5.192 27.471 1.00 22.24 C ATOM 836 O ASN A 93 -13.932 5.233 26.254 1.00 20.15 O ATOM 837 CB ASN A 93 -16.501 4.267 27.160 1.00 25.43 C ATOM 838 CG ASN A 93 -17.931 4.172 27.664 1.00 3.40 C ATOM 839 OD1 ASN A 93 -18.797 4.961 27.259 1.00 0.42 O ATOM 840 ND2 ASN A 93 -18.208 3.206 28.508 1.00 40.54 N ATOM 0 H ASN A 93 -16.766 6.784 27.184 1.00 2.25 H new ATOM 0 HA ASN A 93 -15.630 4.886 29.019 1.00 61.32 H new ATOM 0 HB2 ASN A 93 -16.512 4.598 26.122 1.00 25.43 H new ATOM 0 HB3 ASN A 93 -16.053 3.273 27.173 1.00 25.43 H new ATOM 0 HD21 ASN A 93 -19.161 3.087 28.852 1.00 40.54 H new ATOM 0 HD22 ASN A 93 -17.470 2.575 28.820 1.00 40.54 H new ATOM 847 N TRP A 94 -13.264 5.180 28.416 1.00 40.13 N ATOM 848 CA TRP A 94 -11.825 5.091 28.221 1.00 10.42 C ATOM 849 C TRP A 94 -11.404 3.869 27.376 1.00 24.24 C ATOM 850 O TRP A 94 -12.010 2.794 27.452 1.00 14.10 O ATOM 851 CB TRP A 94 -11.182 5.047 29.611 1.00 73.14 C ATOM 852 CG TRP A 94 -9.716 4.851 29.623 1.00 23.54 C ATOM 853 CD1 TRP A 94 -8.755 5.808 29.537 1.00 71.02 C ATOM 854 CD2 TRP A 94 -9.042 3.603 29.737 1.00 14.10 C ATOM 855 NE1 TRP A 94 -7.522 5.218 29.598 1.00 43.33 N ATOM 856 CE2 TRP A 94 -7.676 3.869 29.714 1.00 11.41 C ATOM 857 CE3 TRP A 94 -9.474 2.279 29.854 1.00 1.42 C ATOM 858 CZ2 TRP A 94 -6.732 2.870 29.804 1.00 15.14 C ATOM 859 CZ3 TRP A 94 -8.534 1.284 29.945 1.00 2.54 C ATOM 860 CH2 TRP A 94 -7.178 1.584 29.921 1.00 30.25 C ATOM 0 H TRP A 94 -13.516 5.235 29.403 1.00 40.13 H new ATOM 0 HA TRP A 94 -11.486 5.959 27.656 1.00 10.42 H new ATOM 0 HB2 TRP A 94 -11.412 5.978 30.129 1.00 73.14 H new ATOM 0 HB3 TRP A 94 -11.644 4.242 30.182 1.00 73.14 H new ATOM 0 HD1 TRP A 94 -8.936 6.868 29.436 1.00 71.02 H new ATOM 0 HE1 TRP A 94 -6.629 5.710 29.562 1.00 43.33 H new ATOM 0 HE3 TRP A 94 -10.528 2.044 29.872 1.00 1.42 H new ATOM 0 HZ2 TRP A 94 -5.676 3.095 29.783 1.00 15.14 H new ATOM 0 HZ3 TRP A 94 -8.852 0.256 30.036 1.00 2.54 H new ATOM 0 HH2 TRP A 94 -6.459 0.782 29.997 1.00 30.25 H new ATOM 871 N ASN A 95 -10.379 4.071 26.573 1.00 74.32 N ATOM 872 CA ASN A 95 -9.775 3.048 25.734 1.00 44.44 C ATOM 873 C ASN A 95 -8.334 2.822 26.177 1.00 44.24 C ATOM 874 O ASN A 95 -7.607 3.782 26.407 1.00 22.53 O ATOM 875 CB ASN A 95 -9.747 3.500 24.267 1.00 75.14 C ATOM 876 CG ASN A 95 -8.989 2.549 23.329 1.00 62.31 C ATOM 877 OD1 ASN A 95 -8.377 2.988 22.378 1.00 5.43 O ATOM 878 ND2 ASN A 95 -9.053 1.260 23.544 1.00 32.54 N ATOM 0 H ASN A 95 -9.927 4.981 26.481 1.00 74.32 H new ATOM 0 HA ASN A 95 -10.364 2.136 25.829 1.00 44.44 H new ATOM 0 HB2 ASN A 95 -10.772 3.603 23.911 1.00 75.14 H new ATOM 0 HB3 ASN A 95 -9.290 4.488 24.212 1.00 75.14 H new ATOM 0 HD21 ASN A 95 -8.585 0.613 22.909 1.00 32.54 H new ATOM 0 HD22 ASN A 95 -9.570 0.902 24.347 1.00 32.54 H new ATOM 885 N LYS A 96 -7.919 1.574 26.287 1.00 31.51 N ATOM 886 CA LYS A 96 -6.545 1.281 26.635 1.00 55.24 C ATOM 887 C LYS A 96 -5.668 1.348 25.436 1.00 22.33 C ATOM 888 O LYS A 96 -6.119 1.571 24.300 1.00 33.15 O ATOM 889 CB LYS A 96 -6.356 -0.138 27.183 1.00 21.33 C ATOM 890 CG LYS A 96 -6.593 -1.252 26.172 1.00 42.32 C ATOM 891 CD LYS A 96 -6.431 -2.613 26.812 1.00 30.43 C ATOM 892 CE LYS A 96 -6.482 -3.730 25.783 1.00 34.11 C ATOM 893 NZ LYS A 96 -7.776 -3.803 25.072 1.00 74.40 N ATOM 0 H LYS A 96 -8.509 0.755 26.142 1.00 31.51 H new ATOM 0 HA LYS A 96 -6.286 2.024 27.390 1.00 55.24 H new ATOM 0 HB2 LYS A 96 -5.342 -0.230 27.572 1.00 21.33 H new ATOM 0 HB3 LYS A 96 -7.034 -0.280 28.024 1.00 21.33 H new ATOM 0 HG2 LYS A 96 -7.595 -1.160 25.754 1.00 42.32 H new ATOM 0 HG3 LYS A 96 -5.892 -1.151 25.344 1.00 42.32 H new ATOM 0 HD2 LYS A 96 -5.481 -2.653 27.345 1.00 30.43 H new ATOM 0 HD3 LYS A 96 -7.218 -2.763 27.551 1.00 30.43 H new ATOM 0 HE2 LYS A 96 -5.683 -3.584 25.057 1.00 34.11 H new ATOM 0 HE3 LYS A 96 -6.292 -4.682 26.279 1.00 34.11 H new ATOM 0 HZ1 LYS A 96 -7.769 -4.614 24.421 1.00 74.40 H new ATOM 0 HZ2 LYS A 96 -8.545 -3.920 25.762 1.00 74.40 H new ATOM 0 HZ3 LYS A 96 -7.925 -2.927 24.532 1.00 74.40 H new ATOM 907 N ASP A 97 -4.418 1.117 25.710 1.00 62.23 N ATOM 908 CA ASP A 97 -3.408 0.889 24.737 1.00 65.12 C ATOM 909 C ASP A 97 -3.325 2.017 23.736 1.00 64.11 C ATOM 910 O ASP A 97 -3.370 1.818 22.521 1.00 52.01 O ATOM 911 CB ASP A 97 -3.587 -0.503 24.093 1.00 63.14 C ATOM 912 CG ASP A 97 -2.426 -0.932 23.234 1.00 30.33 C ATOM 913 OD1 ASP A 97 -1.282 -1.023 23.747 1.00 12.02 O ATOM 914 OD2 ASP A 97 -2.637 -1.196 22.028 1.00 13.40 O ATOM 0 H ASP A 97 -4.065 1.082 26.666 1.00 62.23 H new ATOM 0 HA ASP A 97 -2.438 0.882 25.234 1.00 65.12 H new ATOM 0 HB2 ASP A 97 -3.735 -1.241 24.881 1.00 63.14 H new ATOM 0 HB3 ASP A 97 -4.493 -0.498 23.487 1.00 63.14 H new ATOM 919 N GLY A 98 -3.342 3.213 24.266 1.00 0.34 N ATOM 920 CA GLY A 98 -2.911 4.354 23.503 1.00 45.01 C ATOM 921 C GLY A 98 -4.000 5.233 23.032 1.00 45.43 C ATOM 922 O GLY A 98 -3.725 6.342 22.587 1.00 62.05 O ATOM 0 H GLY A 98 -3.648 3.421 25.217 1.00 0.34 H new ATOM 0 HA2 GLY A 98 -2.226 4.943 24.113 1.00 45.01 H new ATOM 0 HA3 GLY A 98 -2.347 4.003 22.639 1.00 45.01 H new ATOM 926 N TYR A 99 -5.228 4.768 23.180 1.00 63.11 N ATOM 927 CA TYR A 99 -6.382 5.430 22.619 1.00 4.24 C ATOM 928 C TYR A 99 -6.295 5.410 21.106 1.00 0.22 C ATOM 929 O TYR A 99 -5.598 6.203 20.481 1.00 15.21 O ATOM 930 CB TYR A 99 -6.627 6.854 23.176 1.00 71.45 C ATOM 931 CG TYR A 99 -7.862 6.970 23.995 1.00 64.04 C ATOM 932 CD1 TYR A 99 -9.069 7.298 23.410 1.00 3.34 C ATOM 933 CD2 TYR A 99 -7.835 6.754 25.354 1.00 23.02 C ATOM 934 CE1 TYR A 99 -10.202 7.406 24.158 1.00 13.21 C ATOM 935 CE2 TYR A 99 -8.958 6.857 26.097 1.00 32.05 C ATOM 936 CZ TYR A 99 -10.135 7.181 25.500 1.00 70.15 C ATOM 937 OH TYR A 99 -11.244 7.257 26.244 1.00 53.25 O ATOM 0 H TYR A 99 -5.449 3.916 23.696 1.00 63.11 H new ATOM 0 HA TYR A 99 -7.261 4.867 22.933 1.00 4.24 H new ATOM 0 HB2 TYR A 99 -5.771 7.150 23.782 1.00 71.45 H new ATOM 0 HB3 TYR A 99 -6.686 7.555 22.344 1.00 71.45 H new ATOM 0 HD1 TYR A 99 -9.115 7.471 22.345 1.00 3.34 H new ATOM 0 HD2 TYR A 99 -6.902 6.498 25.833 1.00 23.02 H new ATOM 0 HE1 TYR A 99 -11.141 7.667 23.693 1.00 13.21 H new ATOM 0 HE2 TYR A 99 -8.921 6.682 27.162 1.00 32.05 H new ATOM 0 HH TYR A 99 -11.952 6.720 25.831 1.00 53.25 H new ATOM 947 N LEU A 100 -6.945 4.451 20.542 1.00 30.00 N ATOM 948 CA LEU A 100 -6.989 4.253 19.133 1.00 63.44 C ATOM 949 C LEU A 100 -8.412 3.872 18.758 1.00 61.14 C ATOM 950 O LEU A 100 -9.250 3.642 19.629 1.00 61.02 O ATOM 951 CB LEU A 100 -5.975 3.145 18.733 1.00 54.31 C ATOM 952 CG LEU A 100 -5.915 2.733 17.246 1.00 51.53 C ATOM 953 CD1 LEU A 100 -5.576 3.912 16.342 1.00 32.21 C ATOM 954 CD2 LEU A 100 -4.935 1.592 17.040 1.00 73.25 C ATOM 0 H LEU A 100 -7.479 3.759 21.067 1.00 30.00 H new ATOM 0 HA LEU A 100 -6.711 5.161 18.598 1.00 63.44 H new ATOM 0 HB2 LEU A 100 -4.980 3.477 19.030 1.00 54.31 H new ATOM 0 HB3 LEU A 100 -6.202 2.255 19.319 1.00 54.31 H new ATOM 0 HG LEU A 100 -6.910 2.386 16.965 1.00 51.53 H new ATOM 0 HD11 LEU A 100 -5.544 3.578 15.305 1.00 32.21 H new ATOM 0 HD12 LEU A 100 -6.337 4.685 16.451 1.00 32.21 H new ATOM 0 HD13 LEU A 100 -4.604 4.318 16.623 1.00 32.21 H new ATOM 0 HD21 LEU A 100 -4.910 1.320 15.985 1.00 73.25 H new ATOM 0 HD22 LEU A 100 -3.940 1.905 17.357 1.00 73.25 H new ATOM 0 HD23 LEU A 100 -5.250 0.731 17.630 1.00 73.25 H new ATOM 966 N LYS A 101 -8.695 3.845 17.491 1.00 43.24 N ATOM 967 CA LYS A 101 -9.954 3.365 17.004 1.00 51.11 C ATOM 968 C LYS A 101 -9.855 1.833 16.956 1.00 40.32 C ATOM 969 O LYS A 101 -8.883 1.247 17.469 1.00 30.32 O ATOM 970 CB LYS A 101 -10.200 3.912 15.590 1.00 64.35 C ATOM 971 CG LYS A 101 -10.202 5.436 15.462 1.00 54.32 C ATOM 972 CD LYS A 101 -11.306 6.070 16.290 1.00 30.21 C ATOM 973 CE LYS A 101 -11.425 7.573 16.020 1.00 44.44 C ATOM 974 NZ LYS A 101 -11.769 7.865 14.603 1.00 32.10 N ATOM 0 H LYS A 101 -8.055 4.157 16.761 1.00 43.24 H new ATOM 0 HA LYS A 101 -10.775 3.686 17.645 1.00 51.11 H new ATOM 0 HB2 LYS A 101 -9.434 3.511 14.926 1.00 64.35 H new ATOM 0 HB3 LYS A 101 -11.159 3.534 15.235 1.00 64.35 H new ATOM 0 HG2 LYS A 101 -9.237 5.829 15.782 1.00 54.32 H new ATOM 0 HG3 LYS A 101 -10.328 5.713 14.415 1.00 54.32 H new ATOM 0 HD2 LYS A 101 -12.255 5.584 16.064 1.00 30.21 H new ATOM 0 HD3 LYS A 101 -11.107 5.905 17.349 1.00 30.21 H new ATOM 0 HE2 LYS A 101 -12.188 7.998 16.672 1.00 44.44 H new ATOM 0 HE3 LYS A 101 -10.483 8.061 16.271 1.00 44.44 H new ATOM 0 HZ1 LYS A 101 -12.134 8.836 14.527 1.00 32.10 H new ATOM 0 HZ2 LYS A 101 -10.919 7.768 14.012 1.00 32.10 H new ATOM 0 HZ3 LYS A 101 -12.495 7.196 14.277 1.00 32.10 H new ATOM 988 N LYS A 102 -10.806 1.179 16.367 1.00 14.10 N ATOM 989 CA LYS A 102 -10.697 -0.254 16.211 1.00 20.42 C ATOM 990 C LYS A 102 -9.889 -0.583 14.957 1.00 12.33 C ATOM 991 O LYS A 102 -10.433 -0.869 13.892 1.00 12.34 O ATOM 992 CB LYS A 102 -12.063 -0.974 16.257 1.00 71.13 C ATOM 993 CG LYS A 102 -12.616 -1.214 17.678 1.00 13.31 C ATOM 994 CD LYS A 102 -12.909 0.066 18.480 1.00 70.12 C ATOM 995 CE LYS A 102 -14.118 0.830 17.958 1.00 21.33 C ATOM 996 NZ LYS A 102 -14.471 1.974 18.842 1.00 12.23 N ATOM 0 H LYS A 102 -11.656 1.597 15.989 1.00 14.10 H new ATOM 0 HA LYS A 102 -10.154 -0.644 17.072 1.00 20.42 H new ATOM 0 HB2 LYS A 102 -12.788 -0.386 15.694 1.00 71.13 H new ATOM 0 HB3 LYS A 102 -11.970 -1.935 15.751 1.00 71.13 H new ATOM 0 HG2 LYS A 102 -13.534 -1.797 17.602 1.00 13.31 H new ATOM 0 HG3 LYS A 102 -11.900 -1.819 18.234 1.00 13.31 H new ATOM 0 HD2 LYS A 102 -13.075 -0.196 19.525 1.00 70.12 H new ATOM 0 HD3 LYS A 102 -12.034 0.716 18.450 1.00 70.12 H new ATOM 0 HE2 LYS A 102 -13.910 1.198 16.953 1.00 21.33 H new ATOM 0 HE3 LYS A 102 -14.970 0.154 17.880 1.00 21.33 H new ATOM 0 HZ1 LYS A 102 -15.299 2.470 18.454 1.00 12.23 H new ATOM 0 HZ2 LYS A 102 -14.694 1.621 19.794 1.00 12.23 H new ATOM 0 HZ3 LYS A 102 -13.667 2.632 18.896 1.00 12.23 H new ATOM 1010 N LEU A 103 -8.591 -0.409 15.086 1.00 71.12 N ATOM 1011 CA LEU A 103 -7.625 -0.635 14.032 1.00 74.04 C ATOM 1012 C LEU A 103 -6.495 -1.496 14.580 1.00 62.21 C ATOM 1013 O LEU A 103 -6.196 -1.417 15.784 1.00 44.23 O ATOM 1014 CB LEU A 103 -7.063 0.710 13.519 1.00 11.31 C ATOM 1015 CG LEU A 103 -8.067 1.669 12.863 1.00 21.21 C ATOM 1016 CD1 LEU A 103 -7.385 2.972 12.490 1.00 22.44 C ATOM 1017 CD2 LEU A 103 -8.695 1.036 11.626 1.00 74.02 C ATOM 0 H LEU A 103 -8.165 -0.095 15.958 1.00 71.12 H new ATOM 0 HA LEU A 103 -8.109 -1.144 13.198 1.00 74.04 H new ATOM 0 HB2 LEU A 103 -6.597 1.227 14.358 1.00 11.31 H new ATOM 0 HB3 LEU A 103 -6.274 0.497 12.798 1.00 11.31 H new ATOM 0 HG LEU A 103 -8.858 1.876 13.584 1.00 21.21 H new ATOM 0 HD11 LEU A 103 -8.109 3.642 12.026 1.00 22.44 H new ATOM 0 HD12 LEU A 103 -6.980 3.441 13.387 1.00 22.44 H new ATOM 0 HD13 LEU A 103 -6.575 2.771 11.789 1.00 22.44 H new ATOM 0 HD21 LEU A 103 -9.402 1.735 11.179 1.00 74.02 H new ATOM 0 HD22 LEU A 103 -7.915 0.798 10.903 1.00 74.02 H new ATOM 0 HD23 LEU A 103 -9.217 0.123 11.910 1.00 74.02 H new ATOM 1029 N PRO A 104 -5.880 -2.346 13.748 1.00 41.54 N ATOM 1030 CA PRO A 104 -4.781 -3.212 14.178 1.00 22.31 C ATOM 1031 C PRO A 104 -3.459 -2.440 14.394 1.00 15.45 C ATOM 1032 O PRO A 104 -3.383 -1.221 14.156 1.00 72.41 O ATOM 1033 CB PRO A 104 -4.640 -4.214 13.027 1.00 22.52 C ATOM 1034 CG PRO A 104 -5.167 -3.510 11.828 1.00 22.42 C ATOM 1035 CD PRO A 104 -6.209 -2.540 12.319 1.00 2.45 C ATOM 0 HA PRO A 104 -4.990 -3.677 15.141 1.00 22.31 H new ATOM 0 HB2 PRO A 104 -3.600 -4.507 12.886 1.00 22.52 H new ATOM 0 HB3 PRO A 104 -5.203 -5.125 13.227 1.00 22.52 H new ATOM 0 HG2 PRO A 104 -4.367 -2.987 11.304 1.00 22.42 H new ATOM 0 HG3 PRO A 104 -5.600 -4.219 11.122 1.00 22.42 H new ATOM 0 HD2 PRO A 104 -6.168 -1.599 11.770 1.00 2.45 H new ATOM 0 HD3 PRO A 104 -7.215 -2.939 12.193 1.00 2.45 H new ATOM 1043 N VAL A 105 -2.433 -3.155 14.823 1.00 60.21 N ATOM 1044 CA VAL A 105 -1.129 -2.564 15.093 1.00 41.41 C ATOM 1045 C VAL A 105 -0.323 -2.513 13.771 1.00 44.53 C ATOM 1046 O VAL A 105 -0.808 -3.028 12.751 1.00 50.21 O ATOM 1047 CB VAL A 105 -0.401 -3.356 16.209 1.00 63.52 C ATOM 1048 CG1 VAL A 105 0.233 -4.657 15.710 1.00 1.12 C ATOM 1049 CG2 VAL A 105 0.563 -2.481 16.999 1.00 73.41 C ATOM 0 H VAL A 105 -2.478 -4.160 14.994 1.00 60.21 H new ATOM 0 HA VAL A 105 -1.239 -1.544 15.461 1.00 41.41 H new ATOM 0 HB VAL A 105 -1.172 -3.671 16.913 1.00 63.52 H new ATOM 0 HG11 VAL A 105 0.726 -5.163 16.540 1.00 1.12 H new ATOM 0 HG12 VAL A 105 -0.541 -5.305 15.299 1.00 1.12 H new ATOM 0 HG13 VAL A 105 0.966 -4.431 14.936 1.00 1.12 H new ATOM 0 HG21 VAL A 105 1.049 -3.079 17.769 1.00 73.41 H new ATOM 0 HG22 VAL A 105 1.317 -2.072 16.327 1.00 73.41 H new ATOM 0 HG23 VAL A 105 0.013 -1.664 17.467 1.00 73.41 H new ATOM 1059 N ASP A 106 0.874 -1.931 13.758 1.00 11.32 N ATOM 1060 CA ASP A 106 1.549 -1.695 12.473 1.00 74.24 C ATOM 1061 C ASP A 106 2.205 -2.934 11.911 1.00 71.43 C ATOM 1062 O ASP A 106 2.398 -3.940 12.630 1.00 10.12 O ATOM 1063 CB ASP A 106 2.554 -0.526 12.535 1.00 24.41 C ATOM 1064 CG ASP A 106 3.624 -0.727 13.538 1.00 34.24 C ATOM 1065 OD1 ASP A 106 3.376 -0.417 14.722 1.00 32.41 O ATOM 1066 OD2 ASP A 106 4.717 -1.173 13.169 1.00 74.34 O ATOM 0 H ASP A 106 1.385 -1.622 14.585 1.00 11.32 H new ATOM 0 HA ASP A 106 0.753 -1.412 11.785 1.00 74.24 H new ATOM 0 HB2 ASP A 106 3.007 -0.393 11.553 1.00 24.41 H new ATOM 0 HB3 ASP A 106 2.017 0.394 12.766 1.00 24.41 H new ATOM 1071 N PRO A 107 2.439 -2.936 10.572 1.00 10.44 N ATOM 1072 CA PRO A 107 3.191 -3.981 9.895 1.00 34.32 C ATOM 1073 C PRO A 107 4.570 -4.198 10.502 1.00 33.14 C ATOM 1074 O PRO A 107 5.020 -3.445 11.331 1.00 25.33 O ATOM 1075 CB PRO A 107 3.363 -3.461 8.478 1.00 73.41 C ATOM 1076 CG PRO A 107 2.909 -2.038 8.509 1.00 2.15 C ATOM 1077 CD PRO A 107 1.924 -1.951 9.613 1.00 62.03 C ATOM 0 HA PRO A 107 2.669 -4.935 9.966 1.00 34.32 H new ATOM 0 HB2 PRO A 107 4.403 -3.533 8.159 1.00 73.41 H new ATOM 0 HB3 PRO A 107 2.772 -4.045 7.773 1.00 73.41 H new ATOM 0 HG2 PRO A 107 3.748 -1.364 8.680 1.00 2.15 H new ATOM 0 HG3 PRO A 107 2.458 -1.751 7.559 1.00 2.15 H new ATOM 0 HD2 PRO A 107 1.882 -0.950 10.042 1.00 62.03 H new ATOM 0 HD3 PRO A 107 0.916 -2.198 9.279 1.00 62.03 H new ATOM 1085 N TRP A 108 5.225 -5.252 10.052 1.00 3.44 N ATOM 1086 CA TRP A 108 6.546 -5.716 10.535 1.00 74.24 C ATOM 1087 C TRP A 108 6.417 -6.136 12.002 1.00 74.34 C ATOM 1088 O TRP A 108 7.415 -6.359 12.713 1.00 41.35 O ATOM 1089 CB TRP A 108 7.631 -4.623 10.448 1.00 24.34 C ATOM 1090 CG TRP A 108 7.670 -3.862 9.170 1.00 65.35 C ATOM 1091 CD1 TRP A 108 8.046 -4.317 7.956 1.00 63.42 C ATOM 1092 CD2 TRP A 108 7.334 -2.484 9.014 1.00 24.43 C ATOM 1093 NE1 TRP A 108 7.974 -3.301 7.027 1.00 63.33 N ATOM 1094 CE2 TRP A 108 7.527 -2.150 7.667 1.00 20.30 C ATOM 1095 CE3 TRP A 108 6.880 -1.504 9.904 1.00 32.01 C ATOM 1096 CZ2 TRP A 108 7.283 -0.858 7.184 1.00 41.41 C ATOM 1097 CZ3 TRP A 108 6.635 -0.237 9.430 1.00 51.51 C ATOM 1098 CH2 TRP A 108 6.836 0.079 8.086 1.00 74.22 C ATOM 0 H TRP A 108 4.850 -5.843 9.310 1.00 3.44 H new ATOM 0 HA TRP A 108 6.849 -6.546 9.896 1.00 74.24 H new ATOM 0 HB2 TRP A 108 7.479 -3.919 11.266 1.00 24.34 H new ATOM 0 HB3 TRP A 108 8.604 -5.088 10.604 1.00 24.34 H new ATOM 0 HD1 TRP A 108 8.358 -5.329 7.744 1.00 63.42 H new ATOM 0 HE1 TRP A 108 8.209 -3.380 6.038 1.00 63.33 H new ATOM 0 HE3 TRP A 108 6.725 -1.739 10.947 1.00 32.01 H new ATOM 0 HZ2 TRP A 108 7.440 -0.608 6.145 1.00 41.41 H new ATOM 0 HZ3 TRP A 108 6.282 0.525 10.108 1.00 51.51 H new ATOM 0 HH2 TRP A 108 6.636 1.084 7.746 1.00 74.22 H new ATOM 1109 N GLY A 109 5.183 -6.290 12.405 1.00 4.11 N ATOM 1110 CA GLY A 109 4.812 -6.646 13.739 1.00 73.02 C ATOM 1111 C GLY A 109 5.334 -5.713 14.829 1.00 33.41 C ATOM 1112 O GLY A 109 5.733 -6.203 15.892 1.00 20.43 O ATOM 0 H GLY A 109 4.383 -6.165 11.785 1.00 4.11 H new ATOM 0 HA2 GLY A 109 3.724 -6.678 13.800 1.00 73.02 H new ATOM 0 HA3 GLY A 109 5.172 -7.654 13.943 1.00 73.02 H new ATOM 1116 N ASN A 110 5.375 -4.392 14.615 1.00 35.41 N ATOM 1117 CA ASN A 110 5.782 -3.537 15.702 1.00 73.35 C ATOM 1118 C ASN A 110 4.556 -3.103 16.468 1.00 23.32 C ATOM 1119 O ASN A 110 3.427 -3.046 15.899 1.00 45.13 O ATOM 1120 CB ASN A 110 6.535 -2.267 15.264 1.00 40.01 C ATOM 1121 CG ASN A 110 7.623 -2.494 14.263 1.00 42.40 C ATOM 1122 OD1 ASN A 110 8.768 -2.847 14.613 1.00 44.40 O ATOM 1123 ND2 ASN A 110 7.316 -2.238 13.035 1.00 61.12 N ATOM 0 H ASN A 110 5.141 -3.923 13.740 1.00 35.41 H new ATOM 0 HA ASN A 110 6.471 -4.128 16.306 1.00 73.35 H new ATOM 0 HB2 ASN A 110 5.817 -1.563 14.845 1.00 40.01 H new ATOM 0 HB3 ASN A 110 6.966 -1.795 16.147 1.00 40.01 H new ATOM 0 HD21 ASN A 110 8.023 -2.321 12.305 1.00 61.12 H new ATOM 0 HD22 ASN A 110 6.366 -1.953 12.796 1.00 61.12 H new ATOM 1130 N PRO A 111 4.698 -2.934 17.784 1.00 22.10 N ATOM 1131 CA PRO A 111 3.693 -2.306 18.580 1.00 63.33 C ATOM 1132 C PRO A 111 3.940 -0.802 18.621 1.00 11.03 C ATOM 1133 O PRO A 111 5.071 -0.378 18.801 1.00 4.11 O ATOM 1134 CB PRO A 111 3.878 -2.930 19.970 1.00 32.20 C ATOM 1135 CG PRO A 111 5.296 -3.433 20.012 1.00 11.01 C ATOM 1136 CD PRO A 111 5.841 -3.393 18.600 1.00 10.42 C ATOM 0 HA PRO A 111 2.683 -2.449 18.196 1.00 63.33 H new ATOM 0 HB2 PRO A 111 3.701 -2.195 20.755 1.00 32.20 H new ATOM 0 HB3 PRO A 111 3.170 -3.743 20.130 1.00 32.20 H new ATOM 0 HG2 PRO A 111 5.902 -2.814 20.673 1.00 11.01 H new ATOM 0 HG3 PRO A 111 5.330 -4.449 20.406 1.00 11.01 H new ATOM 0 HD2 PRO A 111 6.688 -2.711 18.519 1.00 10.42 H new ATOM 0 HD3 PRO A 111 6.190 -4.375 18.280 1.00 10.42 H new ATOM 1144 N TYR A 112 2.893 -0.011 18.504 1.00 10.14 N ATOM 1145 CA TYR A 112 3.041 1.436 18.500 1.00 70.13 C ATOM 1146 C TYR A 112 3.487 1.930 19.861 1.00 4.21 C ATOM 1147 O TYR A 112 3.058 1.411 20.895 1.00 74.35 O ATOM 1148 CB TYR A 112 1.740 2.150 18.080 1.00 25.22 C ATOM 1149 CG TYR A 112 1.425 2.129 16.595 1.00 0.55 C ATOM 1150 CD1 TYR A 112 1.957 3.097 15.754 1.00 23.31 C ATOM 1151 CD2 TYR A 112 0.590 1.171 16.037 1.00 72.41 C ATOM 1152 CE1 TYR A 112 1.679 3.111 14.404 1.00 34.43 C ATOM 1153 CE2 TYR A 112 0.303 1.179 14.677 1.00 73.04 C ATOM 1154 CZ TYR A 112 0.855 2.154 13.867 1.00 41.32 C ATOM 1155 OH TYR A 112 0.585 2.170 12.508 1.00 13.15 O ATOM 0 H TYR A 112 1.932 -0.341 18.411 1.00 10.14 H new ATOM 0 HA TYR A 112 3.805 1.678 17.762 1.00 70.13 H new ATOM 0 HB2 TYR A 112 0.908 1.693 18.615 1.00 25.22 H new ATOM 0 HB3 TYR A 112 1.796 3.189 18.406 1.00 25.22 H new ATOM 0 HD1 TYR A 112 2.604 3.857 16.167 1.00 23.31 H new ATOM 0 HD2 TYR A 112 0.157 0.409 16.668 1.00 72.41 H new ATOM 0 HE1 TYR A 112 2.109 3.873 13.771 1.00 34.43 H new ATOM 0 HE2 TYR A 112 -0.348 0.427 14.255 1.00 73.04 H new ATOM 0 HH TYR A 112 -0.013 1.427 12.285 1.00 13.15 H new ATOM 1165 N GLN A 113 4.321 2.932 19.865 1.00 1.10 N ATOM 1166 CA GLN A 113 4.891 3.453 21.098 1.00 73.14 C ATOM 1167 C GLN A 113 4.137 4.744 21.433 1.00 53.34 C ATOM 1168 O GLN A 113 4.148 5.706 20.652 1.00 70.13 O ATOM 1169 CB GLN A 113 6.410 3.822 20.959 1.00 44.32 C ATOM 1170 CG GLN A 113 7.229 3.240 19.784 1.00 23.33 C ATOM 1171 CD GLN A 113 7.306 1.724 19.663 1.00 14.52 C ATOM 1172 OE1 GLN A 113 7.434 1.204 18.557 1.00 15.40 O ATOM 1173 NE2 GLN A 113 7.284 1.015 20.758 1.00 60.51 N ATOM 0 H GLN A 113 4.631 3.416 19.022 1.00 1.10 H new ATOM 0 HA GLN A 113 4.801 2.684 21.865 1.00 73.14 H new ATOM 0 HB2 GLN A 113 6.478 4.908 20.899 1.00 44.32 H new ATOM 0 HB3 GLN A 113 6.905 3.522 21.883 1.00 44.32 H new ATOM 0 HG2 GLN A 113 6.810 3.631 18.856 1.00 23.33 H new ATOM 0 HG3 GLN A 113 8.246 3.623 19.861 1.00 23.33 H new ATOM 0 HE21 GLN A 113 7.176 1.476 21.662 1.00 60.51 H new ATOM 0 HE22 GLN A 113 7.374 0.000 20.710 1.00 60.51 H new ATOM 1182 N TYR A 114 3.455 4.747 22.563 1.00 3.11 N ATOM 1183 CA TYR A 114 2.626 5.872 22.958 1.00 2.32 C ATOM 1184 C TYR A 114 3.327 6.675 24.046 1.00 71.24 C ATOM 1185 O TYR A 114 3.664 6.124 25.101 1.00 33.55 O ATOM 1186 CB TYR A 114 1.292 5.374 23.543 1.00 71.30 C ATOM 1187 CG TYR A 114 0.672 4.177 22.849 1.00 34.53 C ATOM 1188 CD1 TYR A 114 0.508 4.141 21.473 1.00 11.35 C ATOM 1189 CD2 TYR A 114 0.248 3.076 23.593 1.00 55.04 C ATOM 1190 CE1 TYR A 114 -0.052 3.045 20.856 1.00 22.31 C ATOM 1191 CE2 TYR A 114 -0.323 1.977 22.984 1.00 44.32 C ATOM 1192 CZ TYR A 114 -0.468 1.972 21.607 1.00 73.13 C ATOM 1193 OH TYR A 114 -1.003 0.872 20.973 1.00 13.12 O ATOM 0 H TYR A 114 3.459 3.975 23.230 1.00 3.11 H new ATOM 0 HA TYR A 114 2.449 6.485 22.075 1.00 2.32 H new ATOM 0 HB2 TYR A 114 1.449 5.121 24.592 1.00 71.30 H new ATOM 0 HB3 TYR A 114 0.576 6.196 23.517 1.00 71.30 H new ATOM 0 HD1 TYR A 114 0.824 4.984 20.877 1.00 11.35 H new ATOM 0 HD2 TYR A 114 0.369 3.084 24.666 1.00 55.04 H new ATOM 0 HE1 TYR A 114 -0.164 3.029 19.782 1.00 22.31 H new ATOM 0 HE2 TYR A 114 -0.652 1.133 23.573 1.00 44.32 H new ATOM 0 HH TYR A 114 -1.929 0.742 21.268 1.00 13.12 H new ATOM 1203 N LEU A 115 3.578 7.931 23.789 1.00 65.03 N ATOM 1204 CA LEU A 115 4.142 8.833 24.776 1.00 42.21 C ATOM 1205 C LEU A 115 3.279 10.083 24.872 1.00 35.20 C ATOM 1206 O LEU A 115 2.602 10.462 23.909 1.00 73.43 O ATOM 1207 CB LEU A 115 5.583 9.214 24.427 1.00 62.20 C ATOM 1208 CG LEU A 115 6.605 8.082 24.403 1.00 3.33 C ATOM 1209 CD1 LEU A 115 7.924 8.585 23.859 1.00 71.44 C ATOM 1210 CD2 LEU A 115 6.803 7.530 25.800 1.00 51.54 C ATOM 0 H LEU A 115 3.398 8.367 22.885 1.00 65.03 H new ATOM 0 HA LEU A 115 4.158 8.322 25.739 1.00 42.21 H new ATOM 0 HB2 LEU A 115 5.581 9.691 23.447 1.00 62.20 H new ATOM 0 HB3 LEU A 115 5.920 9.962 25.145 1.00 62.20 H new ATOM 0 HG LEU A 115 6.233 7.287 23.756 1.00 3.33 H new ATOM 0 HD11 LEU A 115 8.647 7.769 23.846 1.00 71.44 H new ATOM 0 HD12 LEU A 115 7.781 8.959 22.845 1.00 71.44 H new ATOM 0 HD13 LEU A 115 8.296 9.390 24.493 1.00 71.44 H new ATOM 0 HD21 LEU A 115 7.534 6.722 25.772 1.00 51.54 H new ATOM 0 HD22 LEU A 115 7.162 8.322 26.457 1.00 51.54 H new ATOM 0 HD23 LEU A 115 5.855 7.148 26.178 1.00 51.54 H new ATOM 1222 N ALA A 116 3.305 10.714 26.003 1.00 34.50 N ATOM 1223 CA ALA A 116 2.546 11.882 26.249 1.00 35.11 C ATOM 1224 C ALA A 116 3.541 13.071 26.329 1.00 44.11 C ATOM 1225 O ALA A 116 4.719 12.822 26.069 1.00 13.45 O ATOM 1226 CB ALA A 116 1.682 11.656 27.462 1.00 21.23 C ATOM 0 H ALA A 116 3.872 10.417 26.797 1.00 34.50 H new ATOM 0 HA ALA A 116 1.842 12.127 25.453 1.00 35.11 H new ATOM 0 HB1 ALA A 116 1.092 12.551 27.661 1.00 21.23 H new ATOM 0 HB2 ALA A 116 1.014 10.814 27.281 1.00 21.23 H new ATOM 0 HB3 ALA A 116 2.314 11.439 28.323 1.00 21.23 H new ATOM 1232 N PRO A 117 3.134 14.359 26.629 1.00 11.53 N ATOM 1233 CA PRO A 117 4.022 15.513 26.492 1.00 42.51 C ATOM 1234 C PRO A 117 5.364 15.351 27.139 1.00 71.12 C ATOM 1235 O PRO A 117 5.487 15.195 28.364 1.00 12.14 O ATOM 1236 CB PRO A 117 3.250 16.698 27.077 1.00 10.53 C ATOM 1237 CG PRO A 117 2.189 16.075 27.895 1.00 10.41 C ATOM 1238 CD PRO A 117 1.868 14.773 27.211 1.00 53.24 C ATOM 0 HA PRO A 117 4.272 15.655 25.441 1.00 42.51 H new ATOM 0 HB2 PRO A 117 3.896 17.334 27.682 1.00 10.53 H new ATOM 0 HB3 PRO A 117 2.830 17.326 26.291 1.00 10.53 H new ATOM 0 HG2 PRO A 117 2.528 15.908 28.917 1.00 10.41 H new ATOM 0 HG3 PRO A 117 1.309 16.716 27.952 1.00 10.41 H new ATOM 0 HD2 PRO A 117 1.493 14.033 27.918 1.00 53.24 H new ATOM 0 HD3 PRO A 117 1.101 14.902 26.447 1.00 53.24 H new ATOM 1246 N GLY A 118 6.359 15.364 26.309 1.00 34.34 N ATOM 1247 CA GLY A 118 7.694 15.164 26.761 1.00 2.20 C ATOM 1248 C GLY A 118 8.475 16.425 26.737 1.00 51.42 C ATOM 1249 O GLY A 118 8.544 17.143 27.733 1.00 31.13 O ATOM 0 H GLY A 118 6.267 15.513 25.304 1.00 34.34 H new ATOM 0 HA2 GLY A 118 7.679 14.764 27.775 1.00 2.20 H new ATOM 0 HA3 GLY A 118 8.184 14.420 26.132 1.00 2.20 H new ATOM 1253 N THR A 119 9.018 16.734 25.605 1.00 3.03 N ATOM 1254 CA THR A 119 9.797 17.912 25.462 1.00 30.20 C ATOM 1255 C THR A 119 8.965 18.951 24.734 1.00 45.11 C ATOM 1256 O THR A 119 8.831 18.908 23.518 1.00 34.31 O ATOM 1257 CB THR A 119 11.087 17.629 24.676 1.00 71.30 C ATOM 1258 OG1 THR A 119 11.776 16.495 25.258 1.00 41.22 O ATOM 1259 CG2 THR A 119 12.014 18.832 24.709 1.00 44.50 C ATOM 0 H THR A 119 8.932 16.175 24.756 1.00 3.03 H new ATOM 0 HA THR A 119 10.083 18.277 26.449 1.00 30.20 H new ATOM 0 HB THR A 119 10.815 17.415 23.642 1.00 71.30 H new ATOM 0 HG1 THR A 119 12.597 16.317 24.753 1.00 41.22 H new ATOM 0 HG21 THR A 119 12.920 18.608 24.146 1.00 44.50 H new ATOM 0 HG22 THR A 119 11.512 19.690 24.263 1.00 44.50 H new ATOM 0 HG23 THR A 119 12.276 19.062 25.742 1.00 44.50 H new ATOM 1267 N LYS A 120 8.349 19.820 25.521 1.00 71.44 N ATOM 1268 CA LYS A 120 7.483 20.952 25.088 1.00 11.41 C ATOM 1269 C LYS A 120 6.322 20.594 24.142 1.00 23.50 C ATOM 1270 O LYS A 120 5.673 21.497 23.592 1.00 55.32 O ATOM 1271 CB LYS A 120 8.298 22.184 24.571 1.00 32.34 C ATOM 1272 CG LYS A 120 9.217 21.985 23.340 1.00 43.01 C ATOM 1273 CD LYS A 120 8.472 21.790 21.990 1.00 74.35 C ATOM 1274 CE LYS A 120 7.858 23.083 21.392 1.00 15.42 C ATOM 1275 NZ LYS A 120 6.735 23.669 22.180 1.00 13.31 N ATOM 0 H LYS A 120 8.432 19.768 26.536 1.00 71.44 H new ATOM 0 HA LYS A 120 6.989 21.243 26.015 1.00 11.41 H new ATOM 0 HB2 LYS A 120 7.589 22.977 24.333 1.00 32.34 H new ATOM 0 HB3 LYS A 120 8.916 22.545 25.394 1.00 32.34 H new ATOM 0 HG2 LYS A 120 9.875 22.849 23.253 1.00 43.01 H new ATOM 0 HG3 LYS A 120 9.852 21.117 23.516 1.00 43.01 H new ATOM 0 HD2 LYS A 120 9.167 21.366 21.265 1.00 74.35 H new ATOM 0 HD3 LYS A 120 7.676 21.059 22.133 1.00 74.35 H new ATOM 0 HE2 LYS A 120 8.645 23.831 21.297 1.00 15.42 H new ATOM 0 HE3 LYS A 120 7.501 22.866 20.385 1.00 15.42 H new ATOM 0 HZ1 LYS A 120 6.029 24.072 21.531 1.00 13.31 H new ATOM 0 HZ2 LYS A 120 6.291 22.926 22.757 1.00 13.31 H new ATOM 0 HZ3 LYS A 120 7.101 24.418 22.802 1.00 13.31 H new ATOM 1289 N GLY A 121 6.027 19.337 23.978 1.00 61.03 N ATOM 1290 CA GLY A 121 4.990 18.972 23.057 1.00 22.12 C ATOM 1291 C GLY A 121 3.943 18.104 23.653 1.00 13.10 C ATOM 1292 O GLY A 121 4.288 17.138 24.279 1.00 54.01 O ATOM 0 H GLY A 121 6.480 18.560 24.460 1.00 61.03 H new ATOM 0 HA2 GLY A 121 4.523 19.878 22.672 1.00 22.12 H new ATOM 0 HA3 GLY A 121 5.436 18.457 22.206 1.00 22.12 H new ATOM 1296 N PRO A 122 2.634 18.464 23.442 1.00 64.30 N ATOM 1297 CA PRO A 122 1.421 17.756 23.944 1.00 24.13 C ATOM 1298 C PRO A 122 1.426 16.228 23.914 1.00 23.52 C ATOM 1299 O PRO A 122 0.656 15.621 24.647 1.00 5.44 O ATOM 1300 CB PRO A 122 0.346 18.253 23.010 1.00 3.01 C ATOM 1301 CG PRO A 122 0.731 19.642 22.728 1.00 2.35 C ATOM 1302 CD PRO A 122 2.228 19.674 22.703 1.00 34.12 C ATOM 0 HA PRO A 122 1.308 17.969 25.007 1.00 24.13 H new ATOM 0 HB2 PRO A 122 0.304 17.658 22.098 1.00 3.01 H new ATOM 0 HB3 PRO A 122 -0.640 18.198 23.472 1.00 3.01 H new ATOM 0 HG2 PRO A 122 0.320 19.972 21.774 1.00 2.35 H new ATOM 0 HG3 PRO A 122 0.342 20.315 23.492 1.00 2.35 H new ATOM 0 HD2 PRO A 122 2.609 19.662 21.682 1.00 34.12 H new ATOM 0 HD3 PRO A 122 2.614 20.577 23.176 1.00 34.12 H new ATOM 1310 N PHE A 123 2.224 15.618 23.049 1.00 51.24 N ATOM 1311 CA PHE A 123 2.345 14.155 22.996 1.00 34.50 C ATOM 1312 C PHE A 123 3.375 13.771 21.981 1.00 33.12 C ATOM 1313 O PHE A 123 3.767 14.610 21.173 1.00 12.35 O ATOM 1314 CB PHE A 123 0.994 13.429 22.698 1.00 12.14 C ATOM 1315 CG PHE A 123 0.319 13.775 21.384 1.00 73.32 C ATOM 1316 CD1 PHE A 123 -0.537 14.863 21.289 1.00 44.22 C ATOM 1317 CD2 PHE A 123 0.519 12.990 20.259 1.00 34.03 C ATOM 1318 CE1 PHE A 123 -1.173 15.161 20.101 1.00 12.42 C ATOM 1319 CE2 PHE A 123 -0.112 13.286 19.068 1.00 65.22 C ATOM 1320 CZ PHE A 123 -0.960 14.373 18.989 1.00 34.21 C ATOM 0 H PHE A 123 2.803 16.110 22.368 1.00 51.24 H new ATOM 0 HA PHE A 123 2.653 13.828 23.989 1.00 34.50 H new ATOM 0 HB2 PHE A 123 1.172 12.354 22.718 1.00 12.14 H new ATOM 0 HB3 PHE A 123 0.300 13.652 23.508 1.00 12.14 H new ATOM 0 HD1 PHE A 123 -0.708 15.484 22.156 1.00 44.22 H new ATOM 0 HD2 PHE A 123 1.177 12.136 20.315 1.00 34.03 H new ATOM 0 HE1 PHE A 123 -1.837 16.011 20.042 1.00 12.42 H new ATOM 0 HE2 PHE A 123 0.057 12.668 18.199 1.00 65.22 H new ATOM 0 HZ PHE A 123 -1.456 14.606 18.058 1.00 34.21 H new ATOM 1330 N ASP A 124 3.832 12.532 22.049 1.00 3.32 N ATOM 1331 CA ASP A 124 4.772 11.958 21.077 1.00 35.44 C ATOM 1332 C ASP A 124 4.367 10.543 20.791 1.00 53.13 C ATOM 1333 O ASP A 124 4.338 9.731 21.691 1.00 52.15 O ATOM 1334 CB ASP A 124 6.230 11.929 21.581 1.00 0.42 C ATOM 1335 CG ASP A 124 6.898 13.276 21.698 1.00 32.41 C ATOM 1336 OD1 ASP A 124 7.259 13.878 20.656 1.00 20.22 O ATOM 1337 OD2 ASP A 124 7.140 13.743 22.834 1.00 4.22 O ATOM 0 H ASP A 124 3.563 11.881 22.787 1.00 3.32 H new ATOM 0 HA ASP A 124 4.733 12.593 20.192 1.00 35.44 H new ATOM 0 HB2 ASP A 124 6.250 11.446 22.558 1.00 0.42 H new ATOM 0 HB3 ASP A 124 6.818 11.307 20.906 1.00 0.42 H new ATOM 1342 N LEU A 125 4.032 10.219 19.575 1.00 62.33 N ATOM 1343 CA LEU A 125 3.706 8.841 19.300 1.00 62.41 C ATOM 1344 C LEU A 125 4.179 8.395 17.953 1.00 22.01 C ATOM 1345 O LEU A 125 4.077 9.125 16.963 1.00 11.02 O ATOM 1346 CB LEU A 125 2.237 8.484 19.629 1.00 33.42 C ATOM 1347 CG LEU A 125 1.122 9.292 18.974 1.00 54.21 C ATOM 1348 CD1 LEU A 125 0.849 8.828 17.551 1.00 25.31 C ATOM 1349 CD2 LEU A 125 -0.120 9.216 19.832 1.00 3.33 C ATOM 0 H LEU A 125 3.977 10.859 18.782 1.00 62.33 H new ATOM 0 HA LEU A 125 4.282 8.238 20.003 1.00 62.41 H new ATOM 0 HB2 LEU A 125 2.085 7.437 19.366 1.00 33.42 H new ATOM 0 HB3 LEU A 125 2.112 8.563 20.709 1.00 33.42 H new ATOM 0 HG LEU A 125 1.439 10.332 18.901 1.00 54.21 H new ATOM 0 HD11 LEU A 125 0.048 9.429 17.120 1.00 25.31 H new ATOM 0 HD12 LEU A 125 1.752 8.943 16.951 1.00 25.31 H new ATOM 0 HD13 LEU A 125 0.551 7.780 17.561 1.00 25.31 H new ATOM 0 HD21 LEU A 125 -0.919 9.793 19.367 1.00 3.33 H new ATOM 0 HD22 LEU A 125 -0.432 8.176 19.929 1.00 3.33 H new ATOM 0 HD23 LEU A 125 0.094 9.624 20.820 1.00 3.33 H new ATOM 1361 N TYR A 126 4.704 7.207 17.924 1.00 75.41 N ATOM 1362 CA TYR A 126 5.351 6.661 16.766 1.00 12.52 C ATOM 1363 C TYR A 126 5.510 5.186 16.967 1.00 32.03 C ATOM 1364 O TYR A 126 5.251 4.707 18.040 1.00 42.24 O ATOM 1365 CB TYR A 126 6.745 7.334 16.558 1.00 71.32 C ATOM 1366 CG TYR A 126 7.741 7.198 17.704 1.00 51.32 C ATOM 1367 CD1 TYR A 126 7.681 8.052 18.803 1.00 4.33 C ATOM 1368 CD2 TYR A 126 8.753 6.246 17.669 1.00 42.02 C ATOM 1369 CE1 TYR A 126 8.590 7.958 19.830 1.00 60.32 C ATOM 1370 CE2 TYR A 126 9.673 6.148 18.689 1.00 41.12 C ATOM 1371 CZ TYR A 126 9.588 7.006 19.769 1.00 22.23 C ATOM 1372 OH TYR A 126 10.510 6.911 20.790 1.00 71.30 O ATOM 0 H TYR A 126 4.695 6.574 18.724 1.00 75.41 H new ATOM 0 HA TYR A 126 4.749 6.852 15.878 1.00 12.52 H new ATOM 0 HB2 TYR A 126 7.197 6.912 15.660 1.00 71.32 H new ATOM 0 HB3 TYR A 126 6.587 8.395 16.367 1.00 71.32 H new ATOM 0 HD1 TYR A 126 6.906 8.802 18.849 1.00 4.33 H new ATOM 0 HD2 TYR A 126 8.819 5.572 16.828 1.00 42.02 H new ATOM 0 HE1 TYR A 126 8.524 8.624 20.678 1.00 60.32 H new ATOM 0 HE2 TYR A 126 10.456 5.405 18.645 1.00 41.12 H new ATOM 0 HH TYR A 126 11.143 6.190 20.593 1.00 71.30 H new ATOM 1382 N SER A 127 5.834 4.478 15.945 1.00 71.35 N ATOM 1383 CA SER A 127 6.169 3.096 16.067 1.00 74.45 C ATOM 1384 C SER A 127 7.516 2.892 15.438 1.00 61.11 C ATOM 1385 O SER A 127 7.945 3.710 14.610 1.00 41.52 O ATOM 1386 CB SER A 127 5.142 2.193 15.417 1.00 43.41 C ATOM 1387 OG SER A 127 5.339 0.858 15.822 1.00 72.15 O ATOM 0 H SER A 127 5.876 4.839 14.992 1.00 71.35 H new ATOM 0 HA SER A 127 6.186 2.829 17.124 1.00 74.45 H new ATOM 0 HB2 SER A 127 4.138 2.518 15.689 1.00 43.41 H new ATOM 0 HB3 SER A 127 5.218 2.266 14.332 1.00 43.41 H new ATOM 0 HG SER A 127 4.512 0.350 15.687 1.00 72.15 H new ATOM 1393 N LEU A 128 8.178 1.853 15.834 1.00 73.12 N ATOM 1394 CA LEU A 128 9.467 1.491 15.298 1.00 11.34 C ATOM 1395 C LEU A 128 9.355 1.057 13.820 1.00 73.00 C ATOM 1396 O LEU A 128 8.308 0.636 13.375 1.00 24.51 O ATOM 1397 CB LEU A 128 10.068 0.387 16.167 1.00 13.23 C ATOM 1398 CG LEU A 128 10.363 0.790 17.632 1.00 72.31 C ATOM 1399 CD1 LEU A 128 10.938 -0.362 18.426 1.00 3.21 C ATOM 1400 CD2 LEU A 128 11.288 1.997 17.703 1.00 34.44 C ATOM 0 H LEU A 128 7.838 1.214 16.553 1.00 73.12 H new ATOM 0 HA LEU A 128 10.127 2.358 15.317 1.00 11.34 H new ATOM 0 HB2 LEU A 128 9.385 -0.463 16.171 1.00 13.23 H new ATOM 0 HB3 LEU A 128 10.996 0.048 15.706 1.00 13.23 H new ATOM 0 HG LEU A 128 9.408 1.064 18.081 1.00 72.31 H new ATOM 0 HD11 LEU A 128 11.131 -0.038 19.449 1.00 3.21 H new ATOM 0 HD12 LEU A 128 10.227 -1.188 18.435 1.00 3.21 H new ATOM 0 HD13 LEU A 128 11.871 -0.691 17.967 1.00 3.21 H new ATOM 0 HD21 LEU A 128 11.474 2.252 18.746 1.00 34.44 H new ATOM 0 HD22 LEU A 128 12.233 1.761 17.214 1.00 34.44 H new ATOM 0 HD23 LEU A 128 10.821 2.844 17.200 1.00 34.44 H new ATOM 1412 N GLY A 129 10.443 1.207 13.063 1.00 53.41 N ATOM 1413 CA GLY A 129 10.415 0.839 11.649 1.00 71.22 C ATOM 1414 C GLY A 129 10.504 -0.654 11.394 1.00 43.42 C ATOM 1415 O GLY A 129 10.376 -1.463 12.305 1.00 32.10 O ATOM 0 H GLY A 129 11.335 1.572 13.396 1.00 53.41 H new ATOM 0 HA2 GLY A 129 9.495 1.218 11.204 1.00 71.22 H new ATOM 0 HA3 GLY A 129 11.242 1.333 11.140 1.00 71.22 H new ATOM 1419 N ALA A 130 10.799 -1.007 10.155 1.00 21.21 N ATOM 1420 CA ALA A 130 10.882 -2.405 9.687 1.00 54.21 C ATOM 1421 C ALA A 130 11.926 -3.237 10.421 1.00 75.20 C ATOM 1422 O ALA A 130 11.911 -4.472 10.346 1.00 2.14 O ATOM 1423 CB ALA A 130 11.177 -2.438 8.201 1.00 63.24 C ATOM 0 H ALA A 130 10.994 -0.326 9.421 1.00 21.21 H new ATOM 0 HA ALA A 130 9.911 -2.852 9.901 1.00 54.21 H new ATOM 0 HB1 ALA A 130 11.236 -3.473 7.865 1.00 63.24 H new ATOM 0 HB2 ALA A 130 10.381 -1.926 7.661 1.00 63.24 H new ATOM 0 HB3 ALA A 130 12.126 -1.939 8.007 1.00 63.24 H new ATOM 1429 N ASP A 131 12.829 -2.576 11.099 1.00 21.13 N ATOM 1430 CA ASP A 131 13.889 -3.260 11.820 1.00 23.14 C ATOM 1431 C ASP A 131 13.617 -3.209 13.323 1.00 74.22 C ATOM 1432 O ASP A 131 14.377 -3.735 14.134 1.00 35.41 O ATOM 1433 CB ASP A 131 15.240 -2.614 11.481 1.00 24.51 C ATOM 1434 CG ASP A 131 16.424 -3.405 11.981 1.00 31.33 C ATOM 1435 OD1 ASP A 131 16.531 -4.611 11.645 1.00 3.40 O ATOM 1436 OD2 ASP A 131 17.275 -2.842 12.700 1.00 40.24 O ATOM 0 H ASP A 131 12.857 -1.559 11.171 1.00 21.13 H new ATOM 0 HA ASP A 131 13.920 -4.307 11.518 1.00 23.14 H new ATOM 0 HB2 ASP A 131 15.319 -2.500 10.400 1.00 24.51 H new ATOM 0 HB3 ASP A 131 15.274 -1.613 11.910 1.00 24.51 H new ATOM 1441 N GLY A 132 12.487 -2.601 13.682 1.00 43.44 N ATOM 1442 CA GLY A 132 12.134 -2.424 15.076 1.00 0.25 C ATOM 1443 C GLY A 132 13.143 -1.553 15.786 1.00 14.01 C ATOM 1444 O GLY A 132 13.582 -1.869 16.893 1.00 32.31 O ATOM 0 H GLY A 132 11.806 -2.226 13.022 1.00 43.44 H new ATOM 0 HA2 GLY A 132 11.144 -1.973 15.149 1.00 0.25 H new ATOM 0 HA3 GLY A 132 12.079 -3.396 15.567 1.00 0.25 H new ATOM 1448 N LYS A 133 13.537 -0.489 15.123 1.00 32.11 N ATOM 1449 CA LYS A 133 14.539 0.411 15.625 1.00 40.34 C ATOM 1450 C LYS A 133 14.098 1.835 15.255 1.00 3.14 C ATOM 1451 O LYS A 133 13.421 2.023 14.233 1.00 32.31 O ATOM 1452 CB LYS A 133 15.887 0.037 14.946 1.00 72.31 C ATOM 1453 CG LYS A 133 17.177 0.433 15.682 1.00 33.54 C ATOM 1454 CD LYS A 133 17.394 1.920 15.768 1.00 4.30 C ATOM 1455 CE LYS A 133 18.641 2.246 16.550 1.00 44.41 C ATOM 1456 NZ LYS A 133 18.778 3.697 16.771 1.00 32.30 N ATOM 0 H LYS A 133 13.164 -0.225 14.211 1.00 32.11 H new ATOM 0 HA LYS A 133 14.663 0.347 16.706 1.00 40.34 H new ATOM 0 HB2 LYS A 133 15.902 -1.042 14.795 1.00 72.31 H new ATOM 0 HB3 LYS A 133 15.907 0.497 13.958 1.00 72.31 H new ATOM 0 HG2 LYS A 133 17.151 0.020 16.690 1.00 33.54 H new ATOM 0 HG3 LYS A 133 18.028 -0.020 15.174 1.00 33.54 H new ATOM 0 HD2 LYS A 133 17.472 2.337 14.764 1.00 4.30 H new ATOM 0 HD3 LYS A 133 16.532 2.389 16.242 1.00 4.30 H new ATOM 0 HE2 LYS A 133 18.614 1.732 17.511 1.00 44.41 H new ATOM 0 HE3 LYS A 133 19.515 1.875 16.014 1.00 44.41 H new ATOM 0 HZ1 LYS A 133 19.721 3.902 17.159 1.00 32.30 H new ATOM 0 HZ2 LYS A 133 18.659 4.199 15.868 1.00 32.30 H new ATOM 0 HZ3 LYS A 133 18.051 4.016 17.443 1.00 32.30 H new ATOM 1470 N GLU A 134 14.415 2.804 16.093 1.00 24.33 N ATOM 1471 CA GLU A 134 14.138 4.198 15.787 1.00 62.12 C ATOM 1472 C GLU A 134 15.320 4.859 15.063 1.00 31.40 C ATOM 1473 O GLU A 134 16.374 5.104 15.638 1.00 10.51 O ATOM 1474 CB GLU A 134 13.651 5.002 17.034 1.00 11.24 C ATOM 1475 CG GLU A 134 14.305 4.660 18.387 1.00 33.51 C ATOM 1476 CD GLU A 134 15.792 4.908 18.462 1.00 24.24 C ATOM 1477 OE1 GLU A 134 16.216 6.052 18.722 1.00 53.22 O ATOM 1478 OE2 GLU A 134 16.562 3.964 18.247 1.00 55.02 O ATOM 0 H GLU A 134 14.866 2.652 16.995 1.00 24.33 H new ATOM 0 HA GLU A 134 13.299 4.216 15.091 1.00 62.12 H new ATOM 0 HB2 GLU A 134 13.813 6.062 16.838 1.00 11.24 H new ATOM 0 HB3 GLU A 134 12.575 4.857 17.132 1.00 11.24 H new ATOM 0 HG2 GLU A 134 13.816 5.243 19.167 1.00 33.51 H new ATOM 0 HG3 GLU A 134 14.116 3.610 18.609 1.00 33.51 H new ATOM 1485 N GLY A 135 15.158 5.087 13.803 1.00 4.10 N ATOM 1486 CA GLY A 135 16.209 5.688 13.019 1.00 14.13 C ATOM 1487 C GLY A 135 15.638 6.497 11.902 1.00 14.33 C ATOM 1488 O GLY A 135 14.417 6.579 11.776 1.00 15.51 O ATOM 0 H GLY A 135 14.308 4.869 13.283 1.00 4.10 H new ATOM 0 HA2 GLY A 135 16.827 6.322 13.655 1.00 14.13 H new ATOM 0 HA3 GLY A 135 16.859 4.911 12.617 1.00 14.13 H new ATOM 1492 N GLY A 136 16.480 7.087 11.087 1.00 1.42 N ATOM 1493 CA GLY A 136 15.994 7.840 9.966 1.00 3.20 C ATOM 1494 C GLY A 136 16.238 7.051 8.726 1.00 0.11 C ATOM 1495 O GLY A 136 17.385 6.668 8.455 1.00 45.32 O ATOM 0 H GLY A 136 17.495 7.058 11.181 1.00 1.42 H new ATOM 0 HA2 GLY A 136 14.930 8.046 10.081 1.00 3.20 H new ATOM 0 HA3 GLY A 136 16.501 8.803 9.908 1.00 3.20 H new ATOM 1499 N SER A 137 15.197 6.863 7.959 1.00 64.11 N ATOM 1500 CA SER A 137 15.139 5.977 6.804 1.00 2.14 C ATOM 1501 C SER A 137 13.725 6.064 6.228 1.00 61.43 C ATOM 1502 O SER A 137 12.934 6.883 6.692 1.00 23.13 O ATOM 1503 CB SER A 137 15.443 4.517 7.216 1.00 23.24 C ATOM 1504 OG SER A 137 16.795 4.317 7.579 1.00 54.13 O ATOM 0 H SER A 137 14.314 7.346 8.124 1.00 64.11 H new ATOM 0 HA SER A 137 15.883 6.278 6.066 1.00 2.14 H new ATOM 0 HB2 SER A 137 14.803 4.241 8.054 1.00 23.24 H new ATOM 0 HB3 SER A 137 15.192 3.852 6.390 1.00 23.24 H new ATOM 0 HG SER A 137 17.267 5.176 7.568 1.00 54.13 H new ATOM 1510 N ASP A 138 13.433 5.302 5.203 1.00 15.24 N ATOM 1511 CA ASP A 138 12.069 5.216 4.694 1.00 63.34 C ATOM 1512 C ASP A 138 11.259 4.222 5.502 1.00 35.42 C ATOM 1513 O ASP A 138 10.451 4.605 6.348 1.00 60.42 O ATOM 1514 CB ASP A 138 12.027 4.843 3.214 1.00 4.33 C ATOM 1515 CG ASP A 138 11.862 6.026 2.305 1.00 24.44 C ATOM 1516 OD1 ASP A 138 12.865 6.717 1.995 1.00 13.21 O ATOM 1517 OD2 ASP A 138 10.727 6.280 1.861 1.00 13.43 O ATOM 0 H ASP A 138 14.112 4.731 4.700 1.00 15.24 H new ATOM 0 HA ASP A 138 11.629 6.208 4.797 1.00 63.34 H new ATOM 0 HB2 ASP A 138 12.946 4.319 2.953 1.00 4.33 H new ATOM 0 HB3 ASP A 138 11.205 4.147 3.046 1.00 4.33 H new ATOM 1522 N ASN A 139 11.512 2.949 5.285 1.00 34.15 N ATOM 1523 CA ASN A 139 10.783 1.895 5.981 1.00 41.43 C ATOM 1524 C ASN A 139 11.524 1.449 7.222 1.00 12.11 C ATOM 1525 O ASN A 139 10.959 0.816 8.098 1.00 34.04 O ATOM 1526 CB ASN A 139 10.499 0.674 5.070 1.00 65.25 C ATOM 1527 CG ASN A 139 11.750 -0.053 4.586 1.00 23.42 C ATOM 1528 OD1 ASN A 139 12.209 -1.019 5.343 1.00 53.52 O flip ATOM 1529 ND2 ASN A 139 12.293 0.259 3.528 1.00 24.21 N flip ATOM 0 H ASN A 139 12.218 2.612 4.631 1.00 34.15 H new ATOM 0 HA ASN A 139 9.824 2.323 6.272 1.00 41.43 H new ATOM 0 HB2 ASN A 139 9.870 -0.031 5.613 1.00 65.25 H new ATOM 0 HB3 ASN A 139 9.928 1.007 4.203 1.00 65.25 H new ATOM 0 HD21 ASN A 139 11.910 1.016 2.962 1.00 24.21 H new ATOM 0 HD22 ASN A 139 13.127 -0.239 3.216 1.00 24.21 H new ATOM 1536 N ASP A 140 12.790 1.787 7.303 1.00 13.13 N ATOM 1537 CA ASP A 140 13.620 1.381 8.450 1.00 71.24 C ATOM 1538 C ASP A 140 13.567 2.449 9.531 1.00 64.34 C ATOM 1539 O ASP A 140 14.232 2.359 10.552 1.00 34.15 O ATOM 1540 CB ASP A 140 15.081 1.144 8.029 1.00 34.14 C ATOM 1541 CG ASP A 140 15.242 0.110 6.944 1.00 4.13 C ATOM 1542 OD1 ASP A 140 15.312 -1.091 7.248 1.00 24.44 O ATOM 1543 OD2 ASP A 140 15.327 0.483 5.748 1.00 32.44 O ATOM 0 H ASP A 140 13.280 2.339 6.600 1.00 13.13 H new ATOM 0 HA ASP A 140 13.221 0.444 8.838 1.00 71.24 H new ATOM 0 HB2 ASP A 140 15.508 2.086 7.686 1.00 34.14 H new ATOM 0 HB3 ASP A 140 15.655 0.833 8.902 1.00 34.14 H new ATOM 1548 N ALA A 141 12.762 3.448 9.287 1.00 12.25 N ATOM 1549 CA ALA A 141 12.601 4.569 10.184 1.00 55.44 C ATOM 1550 C ALA A 141 11.400 4.403 11.039 1.00 71.54 C ATOM 1551 O ALA A 141 10.471 3.692 10.671 1.00 51.41 O ATOM 1552 CB ALA A 141 12.445 5.833 9.419 1.00 21.03 C ATOM 0 H ALA A 141 12.188 3.510 8.446 1.00 12.25 H new ATOM 0 HA ALA A 141 13.495 4.610 10.807 1.00 55.44 H new ATOM 0 HB1 ALA A 141 12.325 6.665 10.112 1.00 21.03 H new ATOM 0 HB2 ALA A 141 13.330 5.998 8.804 1.00 21.03 H new ATOM 0 HB3 ALA A 141 11.566 5.765 8.779 1.00 21.03 H new ATOM 1558 N ASP A 142 11.404 5.073 12.163 1.00 34.45 N ATOM 1559 CA ASP A 142 10.276 5.054 13.044 1.00 72.15 C ATOM 1560 C ASP A 142 9.232 5.993 12.477 1.00 65.33 C ATOM 1561 O ASP A 142 9.544 7.106 11.992 1.00 51.25 O ATOM 1562 CB ASP A 142 10.665 5.467 14.481 1.00 3.31 C ATOM 1563 CG ASP A 142 11.181 6.887 14.597 1.00 44.11 C ATOM 1564 OD1 ASP A 142 12.316 7.149 14.143 1.00 34.32 O ATOM 1565 OD2 ASP A 142 10.469 7.759 15.123 1.00 1.02 O ATOM 0 H ASP A 142 12.186 5.642 12.487 1.00 34.45 H new ATOM 0 HA ASP A 142 9.882 4.040 13.111 1.00 72.15 H new ATOM 0 HB2 ASP A 142 9.795 5.354 15.128 1.00 3.31 H new ATOM 0 HB3 ASP A 142 11.429 4.783 14.850 1.00 3.31 H new ATOM 1570 N ILE A 143 8.027 5.536 12.466 1.00 5.12 N ATOM 1571 CA ILE A 143 6.954 6.268 11.876 1.00 42.44 C ATOM 1572 C ILE A 143 6.034 6.848 12.923 1.00 20.41 C ATOM 1573 O ILE A 143 5.511 6.134 13.761 1.00 32.11 O ATOM 1574 CB ILE A 143 6.217 5.447 10.748 1.00 12.34 C ATOM 1575 CG1 ILE A 143 5.837 3.992 11.166 1.00 44.32 C ATOM 1576 CG2 ILE A 143 7.082 5.395 9.504 1.00 21.41 C ATOM 1577 CD1 ILE A 143 4.642 3.851 12.082 1.00 13.02 C ATOM 0 H ILE A 143 7.754 4.639 12.868 1.00 5.12 H new ATOM 0 HA ILE A 143 7.383 7.126 11.358 1.00 42.44 H new ATOM 0 HB ILE A 143 5.281 5.973 10.557 1.00 12.34 H new ATOM 0 HG12 ILE A 143 5.645 3.415 10.262 1.00 44.32 H new ATOM 0 HG13 ILE A 143 6.699 3.540 11.656 1.00 44.32 H new ATOM 0 HG21 ILE A 143 6.569 4.827 8.728 1.00 21.41 H new ATOM 0 HG22 ILE A 143 7.269 6.408 9.149 1.00 21.41 H new ATOM 0 HG23 ILE A 143 8.030 4.912 9.740 1.00 21.41 H new ATOM 0 HD11 ILE A 143 4.475 2.797 12.303 1.00 13.02 H new ATOM 0 HD12 ILE A 143 4.829 4.391 13.010 1.00 13.02 H new ATOM 0 HD13 ILE A 143 3.759 4.264 11.594 1.00 13.02 H new ATOM 1589 N GLY A 144 5.880 8.149 12.923 1.00 35.21 N ATOM 1590 CA GLY A 144 5.057 8.742 13.926 1.00 2.42 C ATOM 1591 C GLY A 144 4.704 10.159 13.666 1.00 10.35 C ATOM 1592 O GLY A 144 5.142 10.759 12.670 1.00 5.32 O ATOM 0 H GLY A 144 6.303 8.795 12.257 1.00 35.21 H new ATOM 0 HA2 GLY A 144 4.139 8.162 14.016 1.00 2.42 H new ATOM 0 HA3 GLY A 144 5.570 8.678 14.885 1.00 2.42 H new ATOM 1596 N ASN A 145 3.911 10.689 14.546 1.00 64.32 N ATOM 1597 CA ASN A 145 3.447 12.041 14.477 1.00 14.41 C ATOM 1598 C ASN A 145 3.061 12.501 15.841 1.00 14.13 C ATOM 1599 O ASN A 145 2.735 11.672 16.719 1.00 1.50 O ATOM 1600 CB ASN A 145 2.287 12.249 13.470 1.00 52.41 C ATOM 1601 CG ASN A 145 0.990 11.452 13.696 1.00 72.02 C ATOM 1602 OD1 ASN A 145 0.279 11.207 12.746 1.00 22.52 O ATOM 1603 ND2 ASN A 145 0.676 11.030 14.902 1.00 32.20 N ATOM 0 H ASN A 145 3.559 10.178 15.355 1.00 64.32 H new ATOM 0 HA ASN A 145 4.271 12.646 14.099 1.00 14.41 H new ATOM 0 HB2 ASN A 145 2.033 13.309 13.466 1.00 52.41 H new ATOM 0 HB3 ASN A 145 2.660 12.007 12.475 1.00 52.41 H new ATOM 0 HD21 ASN A 145 -0.176 10.489 15.047 1.00 32.20 H new ATOM 0 HD22 ASN A 145 1.285 11.244 15.692 1.00 32.20 H new ATOM 1610 N TRP A 146 3.065 13.770 16.031 1.00 1.05 N ATOM 1611 CA TRP A 146 2.787 14.338 17.304 1.00 52.24 C ATOM 1612 C TRP A 146 2.454 15.788 17.187 1.00 41.10 C ATOM 1613 O TRP A 146 2.497 16.362 16.103 1.00 15.11 O ATOM 1614 CB TRP A 146 3.982 14.140 18.241 1.00 63.13 C ATOM 1615 CG TRP A 146 5.323 14.473 17.642 1.00 65.43 C ATOM 1616 CD1 TRP A 146 5.839 15.706 17.350 1.00 61.50 C ATOM 1617 CD2 TRP A 146 6.321 13.528 17.283 1.00 24.11 C ATOM 1618 NE1 TRP A 146 7.092 15.569 16.802 1.00 75.20 N ATOM 1619 CE2 TRP A 146 7.413 14.239 16.760 1.00 43.10 C ATOM 1620 CE3 TRP A 146 6.386 12.141 17.355 1.00 53.31 C ATOM 1621 CZ2 TRP A 146 8.561 13.602 16.304 1.00 24.43 C ATOM 1622 CZ3 TRP A 146 7.521 11.506 16.910 1.00 32.10 C ATOM 1623 CH2 TRP A 146 8.598 12.237 16.390 1.00 55.02 C ATOM 0 H TRP A 146 3.263 14.453 15.300 1.00 1.05 H new ATOM 0 HA TRP A 146 1.919 13.828 17.722 1.00 52.24 H new ATOM 0 HB2 TRP A 146 3.834 14.755 19.128 1.00 63.13 H new ATOM 0 HB3 TRP A 146 3.997 13.102 18.572 1.00 63.13 H new ATOM 0 HD1 TRP A 146 5.337 16.646 17.524 1.00 61.50 H new ATOM 0 HE1 TRP A 146 7.686 16.333 16.479 1.00 75.20 H new ATOM 0 HE3 TRP A 146 5.559 11.572 17.754 1.00 53.31 H new ATOM 0 HZ2 TRP A 146 9.391 14.162 15.898 1.00 24.43 H new ATOM 0 HZ3 TRP A 146 7.584 10.429 16.962 1.00 32.10 H new ATOM 0 HH2 TRP A 146 9.477 11.711 16.049 1.00 55.02 H new ATOM 1634 N ASP A 147 2.131 16.368 18.292 1.00 63.10 N ATOM 1635 CA ASP A 147 1.878 17.772 18.369 1.00 52.00 C ATOM 1636 C ASP A 147 2.864 18.317 19.330 1.00 1.11 C ATOM 1637 O ASP A 147 3.060 17.735 20.415 1.00 74.23 O ATOM 1638 CB ASP A 147 0.446 18.097 18.807 1.00 35.43 C ATOM 1639 CG ASP A 147 0.165 19.595 18.817 1.00 23.35 C ATOM 1640 OD1 ASP A 147 0.367 20.255 17.781 1.00 65.41 O ATOM 1641 OD2 ASP A 147 -0.328 20.125 19.831 1.00 32.13 O ATOM 0 H ASP A 147 2.033 15.877 19.181 1.00 63.10 H new ATOM 0 HA ASP A 147 1.981 18.223 17.382 1.00 52.00 H new ATOM 0 HB2 ASP A 147 -0.257 17.603 18.136 1.00 35.43 H new ATOM 0 HB3 ASP A 147 0.273 17.691 19.804 1.00 35.43 H new ATOM 1646 N ASN A 148 3.519 19.362 18.931 1.00 14.21 N ATOM 1647 CA ASN A 148 4.577 19.941 19.694 1.00 33.44 C ATOM 1648 C ASN A 148 4.388 21.442 19.802 1.00 53.04 C ATOM 1649 O ASN A 148 4.999 22.205 19.061 1.00 64.12 O ATOM 1650 CB ASN A 148 5.960 19.529 19.101 1.00 0.34 C ATOM 1651 CG ASN A 148 6.123 19.817 17.599 1.00 71.25 C ATOM 1652 OD1 ASN A 148 5.717 19.010 16.743 1.00 1.12 O ATOM 1653 ND2 ASN A 148 6.760 20.903 17.263 1.00 1.35 N ATOM 1654 OXT ASN A 148 3.570 21.870 20.615 1.00 0.00 O ATOM 0 H ASN A 148 3.330 19.843 18.052 1.00 14.21 H new ATOM 0 HA ASN A 148 4.552 19.555 20.713 1.00 33.44 H new ATOM 0 HB2 ASN A 148 6.745 20.054 19.646 1.00 0.34 H new ATOM 0 HB3 ASN A 148 6.111 18.463 19.272 1.00 0.34 H new ATOM 0 HD21 ASN A 148 6.936 21.107 16.279 1.00 1.35 H new ATOM 0 HD22 ASN A 148 7.083 21.549 17.984 1.00 1.35 H new TER 1661 ASN A 148