USER MOD reduce.3.24.130724 H: found=0, std=0, add=384, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 390 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 Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 MET CE :methyl -162:sc= -0.141 (180deg=-0.622) USER MOD Single : A 51 LYS NZ :NH3+ -157:sc= -0.11 (180deg=-0.617) USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= -0.0721 (180deg=-0.306) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.0473 X(o=-0.047,f=-0.061) USER MOD Single : A 80 THR OG1 : rot -170:sc= 0.159 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : no HD1:sc= -0.0372 X(o=-0.037,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 41 -6.393 -16.331 2.538 1.00 24.20 N ATOM 2 CA GLY A 41 -5.185 -16.686 1.816 1.00 64.12 C ATOM 3 C GLY A 41 -5.478 -17.342 0.481 1.00 13.33 C ATOM 4 O GLY A 41 -5.306 -18.549 0.306 1.00 12.34 O ATOM 0 HA2 GLY A 41 -4.586 -15.790 1.653 1.00 64.12 H new ATOM 0 HA3 GLY A 41 -4.587 -17.363 2.426 1.00 64.12 H new ATOM 8 N PRO A 42 -5.934 -16.537 -0.491 1.00 3.03 N ATOM 9 CA PRO A 42 -6.263 -17.025 -1.833 1.00 43.33 C ATOM 10 C PRO A 42 -5.023 -17.435 -2.620 1.00 73.33 C ATOM 11 O PRO A 42 -3.896 -17.262 -2.157 1.00 61.50 O ATOM 12 CB PRO A 42 -6.940 -15.820 -2.492 1.00 22.34 C ATOM 13 CG PRO A 42 -6.395 -14.637 -1.767 1.00 54.04 C ATOM 14 CD PRO A 42 -6.162 -15.088 -0.353 1.00 72.32 C ATOM 0 HA PRO A 42 -6.888 -17.918 -1.801 1.00 43.33 H new ATOM 0 HB2 PRO A 42 -6.712 -15.771 -3.557 1.00 22.34 H new ATOM 0 HB3 PRO A 42 -8.025 -15.876 -2.400 1.00 22.34 H new ATOM 0 HG2 PRO A 42 -5.467 -14.293 -2.224 1.00 54.04 H new ATOM 0 HG3 PRO A 42 -7.096 -13.803 -1.800 1.00 54.04 H new ATOM 0 HD2 PRO A 42 -5.303 -14.587 0.092 1.00 72.32 H new ATOM 0 HD3 PRO A 42 -7.021 -14.875 0.284 1.00 72.32 H new ATOM 22 N HIS A 43 -5.240 -17.981 -3.813 1.00 54.12 N ATOM 23 CA HIS A 43 -4.139 -18.417 -4.666 1.00 14.14 C ATOM 24 C HIS A 43 -3.591 -17.250 -5.482 1.00 63.25 C ATOM 25 O HIS A 43 -2.409 -17.221 -5.824 1.00 42.12 O ATOM 26 CB HIS A 43 -4.601 -19.535 -5.600 1.00 14.30 C ATOM 27 CG HIS A 43 -4.516 -20.900 -4.989 1.00 23.13 C ATOM 28 ND1 HIS A 43 -4.788 -21.148 -3.660 1.00 33.34 N ATOM 29 CD2 HIS A 43 -4.185 -22.094 -5.533 1.00 20.41 C ATOM 30 CE1 HIS A 43 -4.629 -22.436 -3.412 1.00 73.05 C ATOM 31 NE2 HIS A 43 -4.264 -23.032 -4.533 1.00 64.50 N ATOM 0 H HIS A 43 -6.167 -18.132 -4.211 1.00 54.12 H new ATOM 0 HA HIS A 43 -3.343 -18.796 -4.025 1.00 14.14 H new ATOM 0 HB2 HIS A 43 -5.631 -19.344 -5.900 1.00 14.30 H new ATOM 0 HB3 HIS A 43 -3.996 -19.513 -6.506 1.00 14.30 H new ATOM 0 HD2 HIS A 43 -3.910 -22.275 -6.562 1.00 20.41 H new ATOM 0 HE1 HIS A 43 -4.773 -22.919 -2.457 1.00 73.05 H new ATOM 0 HE2 HIS A 43 -4.072 -24.028 -4.639 1.00 64.50 H new ATOM 40 N MET A 44 -4.458 -16.291 -5.791 1.00 63.22 N ATOM 41 CA MET A 44 -4.058 -15.122 -6.567 1.00 15.13 C ATOM 42 C MET A 44 -4.091 -13.863 -5.707 1.00 43.24 C ATOM 43 O MET A 44 -4.731 -13.831 -4.657 1.00 20.02 O ATOM 44 CB MET A 44 -4.977 -14.951 -7.779 1.00 63.43 C ATOM 45 CG MET A 44 -6.394 -14.537 -7.415 1.00 24.40 C ATOM 46 SD MET A 44 -7.548 -14.734 -8.786 1.00 12.32 S ATOM 47 CE MET A 44 -7.306 -13.186 -9.655 1.00 43.13 C ATOM 0 H MET A 44 -5.440 -16.300 -5.517 1.00 63.22 H new ATOM 0 HA MET A 44 -3.036 -15.277 -6.914 1.00 15.13 H new ATOM 0 HB2 MET A 44 -4.549 -14.203 -8.446 1.00 63.43 H new ATOM 0 HB3 MET A 44 -5.012 -15.889 -8.333 1.00 63.43 H new ATOM 0 HG2 MET A 44 -6.736 -15.132 -6.569 1.00 24.40 H new ATOM 0 HG3 MET A 44 -6.393 -13.496 -7.093 1.00 24.40 H new ATOM 0 HE1 MET A 44 -7.953 -13.156 -10.532 1.00 43.13 H new ATOM 0 HE2 MET A 44 -7.552 -12.355 -8.994 1.00 43.13 H new ATOM 0 HE3 MET A 44 -6.265 -13.104 -9.969 1.00 43.13 H new ATOM 57 N THR A 45 -3.396 -12.824 -6.161 1.00 50.14 N ATOM 58 CA THR A 45 -3.344 -11.563 -5.434 1.00 55.43 C ATOM 59 C THR A 45 -2.699 -11.743 -4.064 1.00 53.14 C ATOM 60 O THR A 45 -3.378 -11.707 -3.039 1.00 31.43 O ATOM 61 CB THR A 45 -4.751 -10.961 -5.250 1.00 43.14 C ATOM 62 OG1 THR A 45 -5.420 -10.887 -6.515 1.00 22.15 O ATOM 63 CG2 THR A 45 -4.670 -9.574 -4.632 1.00 25.21 C ATOM 0 H THR A 45 -2.861 -12.832 -7.030 1.00 50.14 H new ATOM 0 HA THR A 45 -2.739 -10.880 -6.031 1.00 55.43 H new ATOM 0 HB THR A 45 -5.314 -11.608 -4.578 1.00 43.14 H new ATOM 0 HG1 THR A 45 -6.314 -10.505 -6.390 1.00 22.15 H new ATOM 0 HG21 THR A 45 -5.675 -9.170 -4.512 1.00 25.21 H new ATOM 0 HG22 THR A 45 -4.186 -9.638 -3.658 1.00 25.21 H new ATOM 0 HG23 THR A 45 -4.091 -8.919 -5.283 1.00 25.21 H new ATOM 71 N SER A 46 -1.384 -11.938 -4.055 1.00 50.45 N ATOM 72 CA SER A 46 -0.647 -12.127 -2.812 1.00 13.15 C ATOM 73 C SER A 46 -0.958 -11.009 -1.822 1.00 24.14 C ATOM 74 O SER A 46 -1.378 -9.920 -2.210 1.00 75.23 O ATOM 75 CB SER A 46 0.856 -12.177 -3.087 1.00 72.32 C ATOM 76 OG SER A 46 1.228 -13.418 -3.663 1.00 12.31 O ATOM 0 H SER A 46 -0.807 -11.969 -4.896 1.00 50.45 H new ATOM 0 HA SER A 46 -0.959 -13.075 -2.374 1.00 13.15 H new ATOM 0 HB2 SER A 46 1.134 -11.364 -3.757 1.00 72.32 H new ATOM 0 HB3 SER A 46 1.404 -12.025 -2.157 1.00 72.32 H new ATOM 0 HG SER A 46 2.193 -13.424 -3.831 1.00 12.31 H new ATOM 82 N GLU A 47 -0.745 -11.288 -0.539 1.00 53.20 N ATOM 83 CA GLU A 47 -1.003 -10.306 0.508 1.00 23.11 C ATOM 84 C GLU A 47 -0.173 -9.044 0.287 1.00 31.40 C ATOM 85 O GLU A 47 -0.510 -7.971 0.788 1.00 42.53 O ATOM 86 CB GLU A 47 -0.690 -10.899 1.883 1.00 21.54 C ATOM 87 CG GLU A 47 -1.701 -11.937 2.342 1.00 14.04 C ATOM 88 CD GLU A 47 -3.012 -11.317 2.786 1.00 70.31 C ATOM 89 OE1 GLU A 47 -3.697 -10.709 1.936 1.00 33.22 O ATOM 90 OE2 GLU A 47 -3.353 -11.440 3.981 1.00 10.21 O ATOM 0 H GLU A 47 -0.395 -12.184 -0.201 1.00 53.20 H new ATOM 0 HA GLU A 47 -2.059 -10.039 0.467 1.00 23.11 H new ATOM 0 HB2 GLU A 47 0.300 -11.355 1.856 1.00 21.54 H new ATOM 0 HB3 GLU A 47 -0.650 -10.094 2.616 1.00 21.54 H new ATOM 0 HG2 GLU A 47 -1.892 -12.638 1.529 1.00 14.04 H new ATOM 0 HG3 GLU A 47 -1.278 -12.512 3.166 1.00 14.04 H new ATOM 98 N LEU A 48 0.912 -9.181 -0.467 1.00 21.52 N ATOM 99 CA LEU A 48 1.790 -8.054 -0.756 1.00 5.32 C ATOM 100 C LEU A 48 1.256 -7.232 -1.924 1.00 11.42 C ATOM 101 O LEU A 48 1.405 -6.011 -1.955 1.00 51.14 O ATOM 102 CB LEU A 48 3.203 -8.549 -1.071 1.00 32.42 C ATOM 103 CG LEU A 48 3.321 -9.556 -2.215 1.00 40.12 C ATOM 104 CD1 LEU A 48 3.640 -8.845 -3.521 1.00 14.33 C ATOM 105 CD2 LEU A 48 4.385 -10.599 -1.901 1.00 11.41 C ATOM 0 H LEU A 48 1.204 -10.062 -0.889 1.00 21.52 H new ATOM 0 HA LEU A 48 1.823 -7.417 0.128 1.00 5.32 H new ATOM 0 HB2 LEU A 48 3.825 -7.686 -1.308 1.00 32.42 H new ATOM 0 HB3 LEU A 48 3.617 -9.002 -0.170 1.00 32.42 H new ATOM 0 HG LEU A 48 2.363 -10.064 -2.325 1.00 40.12 H new ATOM 0 HD11 LEU A 48 3.720 -9.578 -4.324 1.00 14.33 H new ATOM 0 HD12 LEU A 48 2.844 -8.137 -3.754 1.00 14.33 H new ATOM 0 HD13 LEU A 48 4.584 -8.310 -3.423 1.00 14.33 H new ATOM 0 HD21 LEU A 48 4.455 -11.307 -2.726 1.00 11.41 H new ATOM 0 HD22 LEU A 48 5.348 -10.107 -1.763 1.00 11.41 H new ATOM 0 HD23 LEU A 48 4.115 -11.131 -0.989 1.00 11.41 H new ATOM 117 N GLN A 49 0.631 -7.910 -2.882 1.00 24.32 N ATOM 118 CA GLN A 49 0.074 -7.242 -4.051 1.00 53.33 C ATOM 119 C GLN A 49 -1.249 -6.562 -3.710 1.00 45.33 C ATOM 120 O GLN A 49 -1.605 -5.544 -4.304 1.00 30.41 O ATOM 121 CB GLN A 49 -0.133 -8.244 -5.188 1.00 33.23 C ATOM 122 CG GLN A 49 1.062 -8.365 -6.117 1.00 62.32 C ATOM 123 CD GLN A 49 1.036 -7.344 -7.237 1.00 43.15 C ATOM 124 OE1 GLN A 49 0.265 -7.468 -8.189 1.00 21.51 O ATOM 125 NE2 GLN A 49 1.881 -6.325 -7.129 1.00 3.33 N ATOM 0 H GLN A 49 0.498 -8.921 -2.871 1.00 24.32 H new ATOM 0 HA GLN A 49 0.782 -6.479 -4.374 1.00 53.33 H new ATOM 0 HB2 GLN A 49 -0.352 -9.223 -4.763 1.00 33.23 H new ATOM 0 HB3 GLN A 49 -1.006 -7.946 -5.769 1.00 33.23 H new ATOM 0 HG2 GLN A 49 1.979 -8.243 -5.541 1.00 62.32 H new ATOM 0 HG3 GLN A 49 1.085 -9.367 -6.545 1.00 62.32 H new ATOM 0 HE21 GLN A 49 2.503 -6.261 -6.323 1.00 3.33 H new ATOM 0 HE22 GLN A 49 1.908 -5.606 -7.852 1.00 3.33 H new ATOM 134 N MET A 50 -1.971 -7.130 -2.750 1.00 44.23 N ATOM 135 CA MET A 50 -3.253 -6.577 -2.330 1.00 63.02 C ATOM 136 C MET A 50 -3.059 -5.262 -1.582 1.00 43.35 C ATOM 137 O MET A 50 -3.881 -4.351 -1.684 1.00 51.14 O ATOM 138 CB MET A 50 -3.997 -7.577 -1.442 1.00 3.31 C ATOM 139 CG MET A 50 -5.493 -7.318 -1.358 1.00 0.14 C ATOM 140 SD MET A 50 -6.326 -8.429 -0.208 1.00 10.34 S ATOM 141 CE MET A 50 -5.955 -10.019 -0.945 1.00 11.44 C ATOM 0 H MET A 50 -1.690 -7.973 -2.248 1.00 44.23 H new ATOM 0 HA MET A 50 -3.847 -6.382 -3.223 1.00 63.02 H new ATOM 0 HB2 MET A 50 -3.832 -8.584 -1.825 1.00 3.31 H new ATOM 0 HB3 MET A 50 -3.574 -7.544 -0.438 1.00 3.31 H new ATOM 0 HG2 MET A 50 -5.663 -6.287 -1.048 1.00 0.14 H new ATOM 0 HG3 MET A 50 -5.933 -7.430 -2.349 1.00 0.14 H new ATOM 0 HE1 MET A 50 -6.643 -10.770 -0.557 1.00 11.44 H new ATOM 0 HE2 MET A 50 -6.064 -9.953 -2.028 1.00 11.44 H new ATOM 0 HE3 MET A 50 -4.932 -10.304 -0.700 1.00 11.44 H new ATOM 151 N LYS A 51 -1.967 -5.169 -0.830 1.00 12.24 N ATOM 152 CA LYS A 51 -1.664 -3.965 -0.066 1.00 34.01 C ATOM 153 C LYS A 51 -1.617 -2.741 -0.975 1.00 3.43 C ATOM 154 O LYS A 51 -2.116 -1.673 -0.621 1.00 10.00 O ATOM 155 CB LYS A 51 -0.330 -4.123 0.666 1.00 2.22 C ATOM 156 CG LYS A 51 -0.468 -4.685 2.070 1.00 44.31 C ATOM 157 CD LYS A 51 0.855 -4.649 2.818 1.00 73.42 C ATOM 158 CE LYS A 51 0.670 -4.974 4.292 1.00 1.01 C ATOM 159 NZ LYS A 51 -0.238 -4.003 4.964 1.00 25.11 N ATOM 0 H LYS A 51 -1.277 -5.914 -0.734 1.00 12.24 H new ATOM 0 HA LYS A 51 -2.458 -3.820 0.667 1.00 34.01 H new ATOM 0 HB2 LYS A 51 0.319 -4.778 0.084 1.00 2.22 H new ATOM 0 HB3 LYS A 51 0.162 -3.152 0.719 1.00 2.22 H new ATOM 0 HG2 LYS A 51 -1.214 -4.112 2.621 1.00 44.31 H new ATOM 0 HG3 LYS A 51 -0.830 -5.712 2.018 1.00 44.31 H new ATOM 0 HD2 LYS A 51 1.547 -5.363 2.371 1.00 73.42 H new ATOM 0 HD3 LYS A 51 1.305 -3.662 2.716 1.00 73.42 H new ATOM 0 HE2 LYS A 51 0.265 -5.981 4.394 1.00 1.01 H new ATOM 0 HE3 LYS A 51 1.640 -4.969 4.790 1.00 1.01 H new ATOM 0 HZ1 LYS A 51 -0.047 -3.999 5.986 1.00 25.11 H new ATOM 0 HZ2 LYS A 51 -0.076 -3.051 4.578 1.00 25.11 H new ATOM 0 HZ3 LYS A 51 -1.227 -4.280 4.798 1.00 25.11 H new ATOM 173 N VAL A 52 -1.014 -2.904 -2.148 1.00 31.35 N ATOM 174 CA VAL A 52 -0.904 -1.812 -3.109 1.00 70.51 C ATOM 175 C VAL A 52 -2.148 -1.724 -3.985 1.00 71.32 C ATOM 176 O VAL A 52 -2.723 -0.650 -4.159 1.00 2.32 O ATOM 177 CB VAL A 52 0.335 -1.981 -4.009 1.00 14.11 C ATOM 178 CG1 VAL A 52 0.499 -0.775 -4.922 1.00 20.31 C ATOM 179 CG2 VAL A 52 1.582 -2.195 -3.165 1.00 31.33 C ATOM 0 H VAL A 52 -0.594 -3.781 -2.456 1.00 31.35 H new ATOM 0 HA VAL A 52 -0.803 -0.892 -2.534 1.00 70.51 H new ATOM 0 HB VAL A 52 0.192 -2.863 -4.633 1.00 14.11 H new ATOM 0 HG11 VAL A 52 1.379 -0.911 -5.551 1.00 20.31 H new ATOM 0 HG12 VAL A 52 -0.385 -0.673 -5.552 1.00 20.31 H new ATOM 0 HG13 VAL A 52 0.620 0.124 -4.318 1.00 20.31 H new ATOM 0 HG21 VAL A 52 2.447 -2.312 -3.817 1.00 31.33 H new ATOM 0 HG22 VAL A 52 1.733 -1.334 -2.514 1.00 31.33 H new ATOM 0 HG23 VAL A 52 1.461 -3.092 -2.558 1.00 31.33 H new ATOM 189 N ASP A 53 -2.559 -2.862 -4.535 1.00 75.21 N ATOM 190 CA ASP A 53 -3.737 -2.914 -5.394 1.00 11.13 C ATOM 191 C ASP A 53 -4.936 -2.266 -4.710 1.00 33.04 C ATOM 192 O ASP A 53 -5.816 -1.712 -5.370 1.00 11.43 O ATOM 193 CB ASP A 53 -4.064 -4.363 -5.759 1.00 51.12 C ATOM 194 CG ASP A 53 -5.138 -4.463 -6.825 1.00 55.31 C ATOM 195 OD1 ASP A 53 -6.334 -4.472 -6.463 1.00 64.31 O ATOM 196 OD2 ASP A 53 -4.783 -4.530 -8.020 1.00 11.22 O ATOM 0 H ASP A 53 -2.094 -3.760 -4.401 1.00 75.21 H new ATOM 0 HA ASP A 53 -3.517 -2.358 -6.306 1.00 11.13 H new ATOM 0 HB2 ASP A 53 -3.159 -4.859 -6.111 1.00 51.12 H new ATOM 0 HB3 ASP A 53 -4.392 -4.895 -4.866 1.00 51.12 H new ATOM 202 N PHE A 54 -4.967 -2.341 -3.384 1.00 15.22 N ATOM 203 CA PHE A 54 -6.060 -1.763 -2.609 1.00 45.14 C ATOM 204 C PHE A 54 -6.120 -0.250 -2.800 1.00 11.02 C ATOM 205 O PHE A 54 -7.013 0.268 -3.472 1.00 10.14 O ATOM 206 CB PHE A 54 -5.894 -2.096 -1.126 1.00 32.34 C ATOM 207 CG PHE A 54 -6.983 -1.531 -0.259 1.00 42.14 C ATOM 208 CD1 PHE A 54 -8.144 -2.250 -0.025 1.00 60.24 C ATOM 209 CD2 PHE A 54 -6.845 -0.280 0.322 1.00 74.13 C ATOM 210 CE1 PHE A 54 -9.148 -1.732 0.771 1.00 31.11 C ATOM 211 CE2 PHE A 54 -7.846 0.243 1.119 1.00 53.23 C ATOM 212 CZ PHE A 54 -8.998 -0.485 1.344 1.00 12.54 C ATOM 0 H PHE A 54 -4.248 -2.797 -2.823 1.00 15.22 H new ATOM 0 HA PHE A 54 -6.995 -2.194 -2.967 1.00 45.14 H new ATOM 0 HB2 PHE A 54 -5.870 -3.179 -1.006 1.00 32.34 H new ATOM 0 HB3 PHE A 54 -4.932 -1.715 -0.782 1.00 32.34 H new ATOM 0 HD1 PHE A 54 -8.266 -3.227 -0.470 1.00 60.24 H new ATOM 0 HD2 PHE A 54 -5.945 0.292 0.150 1.00 74.13 H new ATOM 0 HE1 PHE A 54 -10.049 -2.302 0.945 1.00 31.11 H new ATOM 0 HE2 PHE A 54 -7.727 1.219 1.565 1.00 53.23 H new ATOM 0 HZ PHE A 54 -9.781 -0.079 1.968 1.00 12.54 H new ATOM 222 N PHE A 55 -5.164 0.454 -2.202 1.00 71.13 N ATOM 223 CA PHE A 55 -5.109 1.908 -2.303 1.00 62.21 C ATOM 224 C PHE A 55 -5.077 2.350 -3.762 1.00 54.24 C ATOM 225 O PHE A 55 -5.475 3.468 -4.093 1.00 20.03 O ATOM 226 CB PHE A 55 -3.878 2.444 -1.568 1.00 74.32 C ATOM 227 CG PHE A 55 -4.067 2.554 -0.083 1.00 34.03 C ATOM 228 CD1 PHE A 55 -4.596 3.705 0.479 1.00 11.02 C ATOM 229 CD2 PHE A 55 -3.717 1.505 0.753 1.00 53.44 C ATOM 230 CE1 PHE A 55 -4.770 3.809 1.846 1.00 73.20 C ATOM 231 CE2 PHE A 55 -3.889 1.602 2.121 1.00 14.31 C ATOM 232 CZ PHE A 55 -4.418 2.756 2.668 1.00 44.22 C ATOM 0 H PHE A 55 -4.417 0.041 -1.643 1.00 71.13 H new ATOM 0 HA PHE A 55 -6.007 2.315 -1.838 1.00 62.21 H new ATOM 0 HB2 PHE A 55 -3.030 1.790 -1.771 1.00 74.32 H new ATOM 0 HB3 PHE A 55 -3.625 3.426 -1.968 1.00 74.32 H new ATOM 0 HD1 PHE A 55 -4.876 4.530 -0.159 1.00 11.02 H new ATOM 0 HD2 PHE A 55 -3.305 0.601 0.330 1.00 53.44 H new ATOM 0 HE1 PHE A 55 -5.181 4.713 2.271 1.00 73.20 H new ATOM 0 HE2 PHE A 55 -3.611 0.778 2.761 1.00 14.31 H new ATOM 0 HZ PHE A 55 -4.556 2.834 3.736 1.00 44.22 H new ATOM 242 N ARG A 56 -4.601 1.466 -4.633 1.00 44.42 N ATOM 243 CA ARG A 56 -4.515 1.766 -6.057 1.00 42.10 C ATOM 244 C ARG A 56 -5.896 2.053 -6.636 1.00 54.52 C ATOM 245 O ARG A 56 -6.029 2.766 -7.631 1.00 44.34 O ATOM 246 CB ARG A 56 -3.868 0.599 -6.807 1.00 44.41 C ATOM 247 CG ARG A 56 -2.348 0.604 -6.746 1.00 73.15 C ATOM 248 CD ARG A 56 -1.741 1.123 -8.040 1.00 40.23 C ATOM 249 NE ARG A 56 -2.138 0.319 -9.192 1.00 54.21 N ATOM 250 CZ ARG A 56 -1.571 -0.839 -9.511 1.00 32.10 C ATOM 251 NH1 ARG A 56 -0.588 -1.326 -8.768 1.00 31.14 N ATOM 252 NH2 ARG A 56 -1.988 -1.512 -10.576 1.00 74.13 N ATOM 0 H ARG A 56 -4.269 0.536 -4.377 1.00 44.42 H new ATOM 0 HA ARG A 56 -3.897 2.655 -6.179 1.00 42.10 H new ATOM 0 HB2 ARG A 56 -4.237 -0.339 -6.391 1.00 44.41 H new ATOM 0 HB3 ARG A 56 -4.182 0.630 -7.850 1.00 44.41 H new ATOM 0 HG2 ARG A 56 -2.018 1.225 -5.913 1.00 73.15 H new ATOM 0 HG3 ARG A 56 -1.987 -0.406 -6.553 1.00 73.15 H new ATOM 0 HD2 ARG A 56 -2.049 2.157 -8.196 1.00 40.23 H new ATOM 0 HD3 ARG A 56 -0.654 1.124 -7.956 1.00 40.23 H new ATOM 0 HE ARG A 56 -2.892 0.666 -9.785 1.00 54.21 H new ATOM 0 HH11 ARG A 56 -0.265 -0.811 -7.949 1.00 31.14 H new ATOM 0 HH12 ARG A 56 -0.154 -2.216 -9.015 1.00 31.14 H new ATOM 0 HH21 ARG A 56 -2.744 -1.140 -11.150 1.00 74.13 H new ATOM 0 HH22 ARG A 56 -1.552 -2.401 -10.820 1.00 74.13 H new ATOM 266 N LYS A 57 -6.924 1.493 -6.008 1.00 25.43 N ATOM 267 CA LYS A 57 -8.297 1.688 -6.459 1.00 5.12 C ATOM 268 C LYS A 57 -8.956 2.842 -5.711 1.00 4.41 C ATOM 269 O LYS A 57 -9.925 3.433 -6.189 1.00 51.14 O ATOM 270 CB LYS A 57 -9.108 0.407 -6.258 1.00 74.22 C ATOM 271 CG LYS A 57 -9.689 0.266 -4.862 1.00 4.42 C ATOM 272 CD LYS A 57 -9.683 -1.181 -4.399 1.00 41.21 C ATOM 273 CE LYS A 57 -10.529 -2.060 -5.307 1.00 64.40 C ATOM 274 NZ LYS A 57 -11.923 -1.553 -5.427 1.00 53.23 N ATOM 0 H LYS A 57 -6.832 0.899 -5.184 1.00 25.43 H new ATOM 0 HA LYS A 57 -8.273 1.933 -7.521 1.00 5.12 H new ATOM 0 HB2 LYS A 57 -9.920 0.384 -6.984 1.00 74.22 H new ATOM 0 HB3 LYS A 57 -8.471 -0.453 -6.465 1.00 74.22 H new ATOM 0 HG2 LYS A 57 -9.114 0.875 -4.164 1.00 4.42 H new ATOM 0 HG3 LYS A 57 -10.710 0.648 -4.851 1.00 4.42 H new ATOM 0 HD2 LYS A 57 -8.659 -1.554 -4.381 1.00 41.21 H new ATOM 0 HD3 LYS A 57 -10.062 -1.239 -3.379 1.00 41.21 H new ATOM 0 HE2 LYS A 57 -10.073 -2.106 -6.296 1.00 64.40 H new ATOM 0 HE3 LYS A 57 -10.545 -3.077 -4.916 1.00 64.40 H new ATOM 0 HZ1 LYS A 57 -12.525 -2.289 -5.849 1.00 53.23 H new ATOM 0 HZ2 LYS A 57 -12.286 -1.308 -4.484 1.00 53.23 H new ATOM 0 HZ3 LYS A 57 -11.934 -0.707 -6.032 1.00 53.23 H new ATOM 288 N LEU A 58 -8.424 3.160 -4.535 1.00 43.13 N ATOM 289 CA LEU A 58 -8.960 4.246 -3.722 1.00 21.52 C ATOM 290 C LEU A 58 -8.879 5.576 -4.465 1.00 71.44 C ATOM 291 O LEU A 58 -9.596 6.522 -4.144 1.00 2.23 O ATOM 292 CB LEU A 58 -8.199 4.342 -2.399 1.00 22.54 C ATOM 293 CG LEU A 58 -8.788 3.555 -1.227 1.00 52.21 C ATOM 294 CD1 LEU A 58 -10.146 4.118 -0.836 1.00 23.32 C ATOM 295 CD2 LEU A 58 -8.901 2.079 -1.579 1.00 14.12 C ATOM 0 H LEU A 58 -7.623 2.681 -4.124 1.00 43.13 H new ATOM 0 HA LEU A 58 -10.008 4.029 -3.517 1.00 21.52 H new ATOM 0 HB2 LEU A 58 -7.178 3.999 -2.565 1.00 22.54 H new ATOM 0 HB3 LEU A 58 -8.140 5.392 -2.112 1.00 22.54 H new ATOM 0 HG LEU A 58 -8.117 3.653 -0.373 1.00 52.21 H new ATOM 0 HD11 LEU A 58 -10.550 3.546 -0.001 1.00 23.32 H new ATOM 0 HD12 LEU A 58 -10.036 5.162 -0.542 1.00 23.32 H new ATOM 0 HD13 LEU A 58 -10.826 4.050 -1.685 1.00 23.32 H new ATOM 0 HD21 LEU A 58 -9.322 1.535 -0.734 1.00 14.12 H new ATOM 0 HD22 LEU A 58 -9.550 1.961 -2.446 1.00 14.12 H new ATOM 0 HD23 LEU A 58 -7.912 1.683 -1.809 1.00 14.12 H new ATOM 307 N GLY A 59 -8.003 5.637 -5.463 1.00 22.31 N ATOM 308 CA GLY A 59 -7.846 6.854 -6.239 1.00 23.14 C ATOM 309 C GLY A 59 -6.472 7.471 -6.077 1.00 3.42 C ATOM 310 O GLY A 59 -6.276 8.653 -6.362 1.00 32.22 O ATOM 0 H GLY A 59 -7.399 4.866 -5.748 1.00 22.31 H new ATOM 0 HA2 GLY A 59 -8.021 6.635 -7.292 1.00 23.14 H new ATOM 0 HA3 GLY A 59 -8.603 7.576 -5.934 1.00 23.14 H new ATOM 314 N TYR A 60 -5.516 6.672 -5.616 1.00 42.11 N ATOM 315 CA TYR A 60 -4.153 7.148 -5.413 1.00 14.24 C ATOM 316 C TYR A 60 -3.281 6.840 -6.626 1.00 20.13 C ATOM 317 O TYR A 60 -3.755 6.295 -7.622 1.00 53.33 O ATOM 318 CB TYR A 60 -3.548 6.509 -4.161 1.00 74.14 C ATOM 319 CG TYR A 60 -4.012 7.147 -2.871 1.00 4.42 C ATOM 320 CD1 TYR A 60 -3.552 8.401 -2.489 1.00 41.33 C ATOM 321 CD2 TYR A 60 -4.909 6.496 -2.034 1.00 52.13 C ATOM 322 CE1 TYR A 60 -3.972 8.988 -1.312 1.00 24.14 C ATOM 323 CE2 TYR A 60 -5.335 7.075 -0.855 1.00 12.44 C ATOM 324 CZ TYR A 60 -4.863 8.322 -0.497 1.00 71.24 C ATOM 325 OH TYR A 60 -5.284 8.903 0.676 1.00 54.32 O ATOM 0 H TYR A 60 -5.660 5.691 -5.376 1.00 42.11 H new ATOM 0 HA TYR A 60 -4.190 8.229 -5.280 1.00 14.24 H new ATOM 0 HB2 TYR A 60 -3.803 5.449 -4.145 1.00 74.14 H new ATOM 0 HB3 TYR A 60 -2.462 6.575 -4.219 1.00 74.14 H new ATOM 0 HD1 TYR A 60 -2.854 8.926 -3.124 1.00 41.33 H new ATOM 0 HD2 TYR A 60 -5.280 5.520 -2.310 1.00 52.13 H new ATOM 0 HE1 TYR A 60 -3.605 9.964 -1.031 1.00 24.14 H new ATOM 0 HE2 TYR A 60 -6.034 6.555 -0.216 1.00 12.44 H new ATOM 0 HH TYR A 60 -5.911 8.303 1.132 1.00 54.32 H new ATOM 335 N SER A 61 -2.003 7.193 -6.533 1.00 32.11 N ATOM 336 CA SER A 61 -1.064 6.957 -7.624 1.00 11.31 C ATOM 337 C SER A 61 -0.182 5.748 -7.330 1.00 32.41 C ATOM 338 O SER A 61 0.300 5.574 -6.212 1.00 5.33 O ATOM 339 CB SER A 61 -0.193 8.195 -7.851 1.00 33.44 C ATOM 340 OG SER A 61 0.174 8.317 -9.214 1.00 31.03 O ATOM 0 H SER A 61 -1.594 7.643 -5.714 1.00 32.11 H new ATOM 0 HA SER A 61 -1.638 6.754 -8.528 1.00 11.31 H new ATOM 0 HB2 SER A 61 -0.734 9.087 -7.536 1.00 33.44 H new ATOM 0 HB3 SER A 61 0.703 8.131 -7.234 1.00 33.44 H new ATOM 0 HG SER A 61 0.728 9.116 -9.333 1.00 31.03 H new ATOM 346 N SER A 62 0.022 4.912 -8.344 1.00 3.33 N ATOM 347 CA SER A 62 0.843 3.716 -8.195 1.00 31.20 C ATOM 348 C SER A 62 2.231 4.071 -7.673 1.00 20.35 C ATOM 349 O SER A 62 2.774 3.385 -6.806 1.00 52.11 O ATOM 350 CB SER A 62 0.961 2.984 -9.533 1.00 32.44 C ATOM 351 OG SER A 62 1.486 3.836 -10.536 1.00 32.42 O ATOM 0 H SER A 62 -0.370 5.041 -9.277 1.00 3.33 H new ATOM 0 HA SER A 62 0.359 3.061 -7.471 1.00 31.20 H new ATOM 0 HB2 SER A 62 1.605 2.112 -9.418 1.00 32.44 H new ATOM 0 HB3 SER A 62 -0.019 2.618 -9.839 1.00 32.44 H new ATOM 0 HG SER A 62 1.553 3.344 -11.381 1.00 32.42 H new ATOM 357 N SER A 63 2.800 5.148 -8.205 1.00 31.11 N ATOM 358 CA SER A 63 4.127 5.593 -7.796 1.00 2.11 C ATOM 359 C SER A 63 4.131 6.010 -6.328 1.00 42.30 C ATOM 360 O SER A 63 5.166 5.965 -5.663 1.00 2.12 O ATOM 361 CB SER A 63 4.589 6.759 -8.671 1.00 1.43 C ATOM 362 OG SER A 63 5.017 6.304 -9.943 1.00 45.33 O ATOM 0 H SER A 63 2.363 5.729 -8.920 1.00 31.11 H new ATOM 0 HA SER A 63 4.818 4.759 -7.921 1.00 2.11 H new ATOM 0 HB2 SER A 63 3.774 7.472 -8.792 1.00 1.43 H new ATOM 0 HB3 SER A 63 5.404 7.288 -8.177 1.00 1.43 H new ATOM 0 HG SER A 63 5.306 7.069 -10.484 1.00 45.33 H new ATOM 368 N GLU A 64 2.967 6.415 -5.831 1.00 50.33 N ATOM 369 CA GLU A 64 2.837 6.841 -4.442 1.00 41.33 C ATOM 370 C GLU A 64 2.746 5.637 -3.510 1.00 62.32 C ATOM 371 O GLU A 64 3.525 5.511 -2.565 1.00 30.44 O ATOM 372 CB GLU A 64 1.601 7.727 -4.272 1.00 54.21 C ATOM 373 CG GLU A 64 1.689 9.047 -5.020 1.00 22.24 C ATOM 374 CD GLU A 64 2.217 10.174 -4.155 1.00 14.25 C ATOM 375 OE1 GLU A 64 1.394 10.862 -3.513 1.00 4.11 O ATOM 376 OE2 GLU A 64 3.449 10.369 -4.118 1.00 65.42 O ATOM 0 H GLU A 64 2.101 6.457 -6.368 1.00 50.33 H new ATOM 0 HA GLU A 64 3.726 7.415 -4.179 1.00 41.33 H new ATOM 0 HB2 GLU A 64 0.723 7.181 -4.618 1.00 54.21 H new ATOM 0 HB3 GLU A 64 1.453 7.930 -3.211 1.00 54.21 H new ATOM 0 HG2 GLU A 64 2.337 8.926 -5.888 1.00 22.24 H new ATOM 0 HG3 GLU A 64 0.701 9.314 -5.395 1.00 22.24 H new ATOM 384 N ILE A 65 1.790 4.756 -3.784 1.00 22.24 N ATOM 385 CA ILE A 65 1.598 3.562 -2.970 1.00 31.22 C ATOM 386 C ILE A 65 2.810 2.640 -3.052 1.00 32.41 C ATOM 387 O ILE A 65 3.303 2.153 -2.034 1.00 33.54 O ATOM 388 CB ILE A 65 0.343 2.781 -3.403 1.00 52.04 C ATOM 389 CG1 ILE A 65 -0.899 3.666 -3.289 1.00 12.53 C ATOM 390 CG2 ILE A 65 0.184 1.525 -2.561 1.00 74.43 C ATOM 391 CD1 ILE A 65 -2.062 3.188 -4.129 1.00 11.31 C ATOM 0 H ILE A 65 1.137 4.846 -4.562 1.00 22.24 H new ATOM 0 HA ILE A 65 1.469 3.899 -1.941 1.00 31.22 H new ATOM 0 HB ILE A 65 0.460 2.483 -4.445 1.00 52.04 H new ATOM 0 HG12 ILE A 65 -1.209 3.709 -2.245 1.00 12.53 H new ATOM 0 HG13 ILE A 65 -0.640 4.682 -3.587 1.00 12.53 H new ATOM 0 HG21 ILE A 65 -0.707 0.984 -2.879 1.00 74.43 H new ATOM 0 HG22 ILE A 65 1.060 0.888 -2.688 1.00 74.43 H new ATOM 0 HG23 ILE A 65 0.086 1.801 -1.511 1.00 74.43 H new ATOM 0 HD11 ILE A 65 -2.907 3.864 -3.998 1.00 11.31 H new ATOM 0 HD12 ILE A 65 -1.770 3.171 -5.179 1.00 11.31 H new ATOM 0 HD13 ILE A 65 -2.348 2.184 -3.816 1.00 11.31 H new ATOM 403 N HIS A 66 3.287 2.404 -4.270 1.00 41.34 N ATOM 404 CA HIS A 66 4.444 1.543 -4.486 1.00 34.13 C ATOM 405 C HIS A 66 5.680 2.109 -3.794 1.00 70.14 C ATOM 406 O HIS A 66 6.577 1.365 -3.398 1.00 15.22 O ATOM 407 CB HIS A 66 4.712 1.378 -5.982 1.00 14.10 C ATOM 408 CG HIS A 66 5.484 0.140 -6.320 1.00 33.54 C ATOM 409 ND1 HIS A 66 6.862 0.100 -6.359 1.00 60.22 N ATOM 410 CD2 HIS A 66 5.064 -1.108 -6.632 1.00 1.02 C ATOM 411 CE1 HIS A 66 7.256 -1.118 -6.683 1.00 33.10 C ATOM 412 NE2 HIS A 66 6.184 -1.871 -6.854 1.00 33.22 N ATOM 0 H HIS A 66 2.890 2.797 -5.123 1.00 41.34 H new ATOM 0 HA HIS A 66 4.224 0.566 -4.055 1.00 34.13 H new ATOM 0 HB2 HIS A 66 3.760 1.359 -6.513 1.00 14.10 H new ATOM 0 HB3 HIS A 66 5.261 2.248 -6.342 1.00 14.10 H new ATOM 0 HD2 HIS A 66 4.039 -1.442 -6.695 1.00 1.02 H new ATOM 0 HE1 HIS A 66 8.280 -1.443 -6.790 1.00 33.10 H new ATOM 0 HE2 HIS A 66 6.188 -2.859 -7.109 1.00 33.22 H new ATOM 421 N SER A 67 5.720 3.430 -3.654 1.00 51.34 N ATOM 422 CA SER A 67 6.849 4.097 -3.016 1.00 32.05 C ATOM 423 C SER A 67 6.839 3.857 -1.510 1.00 3.45 C ATOM 424 O SER A 67 7.769 3.269 -0.957 1.00 3.12 O ATOM 425 CB SER A 67 6.811 5.600 -3.305 1.00 35.45 C ATOM 426 OG SER A 67 7.393 6.337 -2.244 1.00 30.11 O ATOM 0 H SER A 67 4.984 4.060 -3.974 1.00 51.34 H new ATOM 0 HA SER A 67 7.767 3.679 -3.428 1.00 32.05 H new ATOM 0 HB2 SER A 67 7.344 5.809 -4.233 1.00 35.45 H new ATOM 0 HB3 SER A 67 5.779 5.920 -3.451 1.00 35.45 H new ATOM 0 HG SER A 67 7.358 7.294 -2.453 1.00 30.11 H new ATOM 432 N VAL A 68 5.780 4.316 -0.849 1.00 4.51 N ATOM 433 CA VAL A 68 5.648 4.151 0.593 1.00 5.23 C ATOM 434 C VAL A 68 5.853 2.696 1.001 1.00 41.25 C ATOM 435 O VAL A 68 6.498 2.408 2.010 1.00 62.44 O ATOM 436 CB VAL A 68 4.268 4.622 1.088 1.00 73.20 C ATOM 437 CG1 VAL A 68 4.158 6.136 1.001 1.00 54.30 C ATOM 438 CG2 VAL A 68 3.159 3.952 0.289 1.00 4.22 C ATOM 0 H VAL A 68 5.001 4.805 -1.290 1.00 4.51 H new ATOM 0 HA VAL A 68 6.420 4.767 1.054 1.00 5.23 H new ATOM 0 HB VAL A 68 4.158 4.333 2.133 1.00 73.20 H new ATOM 0 HG11 VAL A 68 3.176 6.450 1.355 1.00 54.30 H new ATOM 0 HG12 VAL A 68 4.930 6.593 1.620 1.00 54.30 H new ATOM 0 HG13 VAL A 68 4.289 6.451 -0.034 1.00 54.30 H new ATOM 0 HG21 VAL A 68 2.190 4.296 0.652 1.00 4.22 H new ATOM 0 HG22 VAL A 68 3.264 4.209 -0.765 1.00 4.22 H new ATOM 0 HG23 VAL A 68 3.228 2.871 0.407 1.00 4.22 H new ATOM 448 N LEU A 69 5.301 1.783 0.210 1.00 14.41 N ATOM 449 CA LEU A 69 5.422 0.356 0.489 1.00 41.43 C ATOM 450 C LEU A 69 6.859 -0.116 0.291 1.00 40.33 C ATOM 451 O LEU A 69 7.329 -1.012 0.992 1.00 4.52 O ATOM 452 CB LEU A 69 4.482 -0.442 -0.417 1.00 41.54 C ATOM 453 CG LEU A 69 3.143 -0.848 0.198 1.00 41.11 C ATOM 454 CD1 LEU A 69 3.349 -1.889 1.287 1.00 33.23 C ATOM 455 CD2 LEU A 69 2.419 0.371 0.752 1.00 71.14 C ATOM 0 H LEU A 69 4.765 2.005 -0.629 1.00 14.41 H new ATOM 0 HA LEU A 69 5.143 0.188 1.529 1.00 41.43 H new ATOM 0 HB2 LEU A 69 4.284 0.148 -1.312 1.00 41.54 H new ATOM 0 HB3 LEU A 69 5.000 -1.345 -0.739 1.00 41.54 H new ATOM 0 HG LEU A 69 2.525 -1.289 -0.584 1.00 41.11 H new ATOM 0 HD11 LEU A 69 2.385 -2.166 1.713 1.00 33.23 H new ATOM 0 HD12 LEU A 69 3.824 -2.772 0.861 1.00 33.23 H new ATOM 0 HD13 LEU A 69 3.986 -1.476 2.069 1.00 33.23 H new ATOM 0 HD21 LEU A 69 1.468 0.063 1.186 1.00 71.14 H new ATOM 0 HD22 LEU A 69 3.033 0.841 1.520 1.00 71.14 H new ATOM 0 HD23 LEU A 69 2.237 1.083 -0.053 1.00 71.14 H new ATOM 467 N GLN A 70 7.552 0.495 -0.666 1.00 32.53 N ATOM 468 CA GLN A 70 8.935 0.136 -0.953 1.00 51.33 C ATOM 469 C GLN A 70 9.822 0.370 0.265 1.00 63.50 C ATOM 470 O GLN A 70 10.815 -0.330 0.466 1.00 33.35 O ATOM 471 CB GLN A 70 9.457 0.947 -2.142 1.00 3.35 C ATOM 472 CG GLN A 70 10.841 0.523 -2.606 1.00 70.45 C ATOM 473 CD GLN A 70 11.320 1.311 -3.809 1.00 13.15 C ATOM 474 OE1 GLN A 70 10.860 1.097 -4.930 1.00 75.43 O ATOM 475 NE2 GLN A 70 12.250 2.232 -3.582 1.00 24.14 N ATOM 0 H GLN A 70 7.178 1.240 -1.254 1.00 32.53 H new ATOM 0 HA GLN A 70 8.965 -0.925 -1.203 1.00 51.33 H new ATOM 0 HB2 GLN A 70 8.758 0.849 -2.973 1.00 3.35 H new ATOM 0 HB3 GLN A 70 9.482 2.002 -1.869 1.00 3.35 H new ATOM 0 HG2 GLN A 70 11.549 0.651 -1.787 1.00 70.45 H new ATOM 0 HG3 GLN A 70 10.828 -0.538 -2.854 1.00 70.45 H new ATOM 0 HE21 GLN A 70 12.604 2.377 -2.636 1.00 24.14 H new ATOM 0 HE22 GLN A 70 12.610 2.794 -4.353 1.00 24.14 H new ATOM 484 N LYS A 71 9.458 1.358 1.076 1.00 23.12 N ATOM 485 CA LYS A 71 10.219 1.683 2.276 1.00 5.43 C ATOM 486 C LYS A 71 9.616 1.008 3.503 1.00 71.03 C ATOM 487 O LYS A 71 10.316 0.333 4.261 1.00 73.13 O ATOM 488 CB LYS A 71 10.260 3.199 2.483 1.00 21.03 C ATOM 489 CG LYS A 71 11.165 3.633 3.623 1.00 22.02 C ATOM 490 CD LYS A 71 11.246 5.146 3.726 1.00 51.41 C ATOM 491 CE LYS A 71 9.999 5.729 4.372 1.00 70.31 C ATOM 492 NZ LYS A 71 9.915 7.205 4.187 1.00 62.33 N ATOM 0 H LYS A 71 8.640 1.948 0.923 1.00 23.12 H new ATOM 0 HA LYS A 71 11.235 1.312 2.143 1.00 5.43 H new ATOM 0 HB2 LYS A 71 10.597 3.674 1.562 1.00 21.03 H new ATOM 0 HB3 LYS A 71 9.249 3.558 2.676 1.00 21.03 H new ATOM 0 HG2 LYS A 71 10.791 3.223 4.561 1.00 22.02 H new ATOM 0 HG3 LYS A 71 12.164 3.224 3.472 1.00 22.02 H new ATOM 0 HD2 LYS A 71 12.123 5.425 4.309 1.00 51.41 H new ATOM 0 HD3 LYS A 71 11.375 5.573 2.731 1.00 51.41 H new ATOM 0 HE2 LYS A 71 9.114 5.259 3.943 1.00 70.31 H new ATOM 0 HE3 LYS A 71 9.999 5.496 5.437 1.00 70.31 H new ATOM 0 HZ1 LYS A 71 9.051 7.563 4.642 1.00 62.33 H new ATOM 0 HZ2 LYS A 71 10.746 7.657 4.619 1.00 62.33 H new ATOM 0 HZ3 LYS A 71 9.889 7.427 3.171 1.00 62.33 H new ATOM 506 N LEU A 72 8.315 1.191 3.694 1.00 54.30 N ATOM 507 CA LEU A 72 7.616 0.598 4.829 1.00 42.21 C ATOM 508 C LEU A 72 7.768 -0.920 4.829 1.00 4.10 C ATOM 509 O LEU A 72 8.223 -1.509 5.809 1.00 51.34 O ATOM 510 CB LEU A 72 6.133 0.973 4.794 1.00 41.35 C ATOM 511 CG LEU A 72 5.752 2.269 5.508 1.00 4.25 C ATOM 512 CD1 LEU A 72 6.625 3.419 5.031 1.00 13.31 C ATOM 513 CD2 LEU A 72 4.281 2.587 5.289 1.00 74.34 C ATOM 0 H LEU A 72 7.722 1.746 3.077 1.00 54.30 H new ATOM 0 HA LEU A 72 8.062 0.990 5.743 1.00 42.21 H new ATOM 0 HB2 LEU A 72 5.823 1.051 3.752 1.00 41.35 H new ATOM 0 HB3 LEU A 72 5.562 0.157 5.236 1.00 41.35 H new ATOM 0 HG LEU A 72 5.918 2.134 6.577 1.00 4.25 H new ATOM 0 HD11 LEU A 72 6.339 4.333 5.551 1.00 13.31 H new ATOM 0 HD12 LEU A 72 7.670 3.194 5.242 1.00 13.31 H new ATOM 0 HD13 LEU A 72 6.493 3.555 3.958 1.00 13.31 H new ATOM 0 HD21 LEU A 72 4.028 3.513 5.805 1.00 74.34 H new ATOM 0 HD22 LEU A 72 4.088 2.702 4.222 1.00 74.34 H new ATOM 0 HD23 LEU A 72 3.671 1.774 5.683 1.00 74.34 H new ATOM 525 N GLY A 73 7.386 -1.548 3.720 1.00 21.24 N ATOM 526 CA GLY A 73 7.491 -2.991 3.613 1.00 35.31 C ATOM 527 C GLY A 73 6.235 -3.700 4.083 1.00 3.24 C ATOM 528 O GLY A 73 5.122 -3.288 3.756 1.00 70.41 O ATOM 0 H GLY A 73 7.006 -1.083 2.895 1.00 21.24 H new ATOM 0 HA2 GLY A 73 7.691 -3.262 2.576 1.00 35.31 H new ATOM 0 HA3 GLY A 73 8.341 -3.335 4.202 1.00 35.31 H new ATOM 532 N VAL A 74 6.413 -4.770 4.851 1.00 30.21 N ATOM 533 CA VAL A 74 5.286 -5.538 5.367 1.00 40.13 C ATOM 534 C VAL A 74 4.949 -5.127 6.795 1.00 35.40 C ATOM 535 O VAL A 74 3.836 -5.352 7.269 1.00 70.30 O ATOM 536 CB VAL A 74 5.575 -7.050 5.333 1.00 20.05 C ATOM 537 CG1 VAL A 74 4.341 -7.839 5.742 1.00 34.11 C ATOM 538 CG2 VAL A 74 6.053 -7.470 3.951 1.00 32.54 C ATOM 0 H VAL A 74 7.328 -5.125 5.130 1.00 30.21 H new ATOM 0 HA VAL A 74 4.435 -5.324 4.721 1.00 40.13 H new ATOM 0 HB VAL A 74 6.369 -7.267 6.048 1.00 20.05 H new ATOM 0 HG11 VAL A 74 4.565 -8.905 5.712 1.00 34.11 H new ATOM 0 HG12 VAL A 74 4.048 -7.558 6.754 1.00 34.11 H new ATOM 0 HG13 VAL A 74 3.524 -7.620 5.054 1.00 34.11 H new ATOM 0 HG21 VAL A 74 6.253 -8.542 3.945 1.00 32.54 H new ATOM 0 HG22 VAL A 74 5.283 -7.240 3.214 1.00 32.54 H new ATOM 0 HG23 VAL A 74 6.966 -6.930 3.702 1.00 32.54 H new ATOM 548 N GLN A 75 5.918 -4.523 7.476 1.00 33.44 N ATOM 549 CA GLN A 75 5.722 -4.081 8.852 1.00 4.00 C ATOM 550 C GLN A 75 4.695 -2.956 8.922 1.00 33.22 C ATOM 551 O GLN A 75 4.124 -2.689 9.978 1.00 0.23 O ATOM 552 CB GLN A 75 7.050 -3.614 9.453 1.00 71.41 C ATOM 553 CG GLN A 75 8.095 -4.713 9.546 1.00 44.21 C ATOM 554 CD GLN A 75 9.495 -4.170 9.751 1.00 65.00 C ATOM 555 OE1 GLN A 75 10.257 -4.011 8.797 1.00 5.32 O ATOM 556 NE2 GLN A 75 9.843 -3.883 11.001 1.00 74.33 N ATOM 0 H GLN A 75 6.845 -4.329 7.098 1.00 33.44 H new ATOM 0 HA GLN A 75 5.347 -4.926 9.429 1.00 4.00 H new ATOM 0 HB2 GLN A 75 7.446 -2.798 8.849 1.00 71.41 H new ATOM 0 HB3 GLN A 75 6.867 -3.213 10.450 1.00 71.41 H new ATOM 0 HG2 GLN A 75 7.843 -5.380 10.371 1.00 44.21 H new ATOM 0 HG3 GLN A 75 8.071 -5.310 8.635 1.00 44.21 H new ATOM 0 HE21 GLN A 75 9.180 -4.030 11.762 1.00 74.33 H new ATOM 0 HE22 GLN A 75 10.773 -3.515 11.200 1.00 74.33 H new ATOM 565 N ALA A 76 4.465 -2.300 7.789 1.00 12.11 N ATOM 566 CA ALA A 76 3.505 -1.206 7.722 1.00 42.44 C ATOM 567 C ALA A 76 2.157 -1.620 8.301 1.00 73.12 C ATOM 568 O ALA A 76 1.923 -2.799 8.571 1.00 5.21 O ATOM 569 CB ALA A 76 3.342 -0.734 6.284 1.00 0.02 C ATOM 0 H ALA A 76 4.931 -2.508 6.906 1.00 12.11 H new ATOM 0 HA ALA A 76 3.890 -0.382 8.322 1.00 42.44 H new ATOM 0 HB1 ALA A 76 2.622 0.084 6.249 1.00 0.02 H new ATOM 0 HB2 ALA A 76 4.303 -0.388 5.904 1.00 0.02 H new ATOM 0 HB3 ALA A 76 2.984 -1.559 5.668 1.00 0.02 H new ATOM 575 N ASP A 77 1.274 -0.646 8.490 1.00 52.55 N ATOM 576 CA ASP A 77 -0.052 -0.911 9.036 1.00 21.00 C ATOM 577 C ASP A 77 -1.116 -0.111 8.291 1.00 31.44 C ATOM 578 O ASP A 77 -0.803 0.704 7.423 1.00 5.55 O ATOM 579 CB ASP A 77 -0.089 -0.568 10.527 1.00 73.40 C ATOM 580 CG ASP A 77 1.229 -0.851 11.219 1.00 4.53 C ATOM 581 OD1 ASP A 77 1.674 -2.017 11.197 1.00 71.42 O ATOM 582 OD2 ASP A 77 1.818 0.096 11.783 1.00 53.34 O ATOM 0 H ASP A 77 1.452 0.335 8.273 1.00 52.55 H new ATOM 0 HA ASP A 77 -0.266 -1.972 8.909 1.00 21.00 H new ATOM 0 HB2 ASP A 77 -0.341 0.486 10.648 1.00 73.40 H new ATOM 0 HB3 ASP A 77 -0.880 -1.142 11.009 1.00 73.40 H new ATOM 588 N THR A 78 -2.378 -0.353 8.634 1.00 14.23 N ATOM 589 CA THR A 78 -3.489 0.342 7.997 1.00 31.34 C ATOM 590 C THR A 78 -3.371 1.851 8.178 1.00 41.22 C ATOM 591 O THR A 78 -3.632 2.619 7.252 1.00 32.45 O ATOM 592 CB THR A 78 -4.843 -0.126 8.563 1.00 32.13 C ATOM 593 OG1 THR A 78 -4.888 -1.557 8.603 1.00 14.45 O ATOM 594 CG2 THR A 78 -5.994 0.399 7.717 1.00 21.34 C ATOM 0 H THR A 78 -2.655 -1.025 9.349 1.00 14.23 H new ATOM 0 HA THR A 78 -3.444 0.101 6.935 1.00 31.34 H new ATOM 0 HB THR A 78 -4.946 0.269 9.574 1.00 32.13 H new ATOM 0 HG1 THR A 78 -5.751 -1.847 8.966 1.00 14.45 H new ATOM 0 HG21 THR A 78 -6.940 0.056 8.136 1.00 21.34 H new ATOM 0 HG22 THR A 78 -5.974 1.489 7.712 1.00 21.34 H new ATOM 0 HG23 THR A 78 -5.894 0.029 6.697 1.00 21.34 H new ATOM 602 N ASN A 79 -2.974 2.270 9.375 1.00 24.33 N ATOM 603 CA ASN A 79 -2.820 3.688 9.677 1.00 54.11 C ATOM 604 C ASN A 79 -1.545 4.243 9.049 1.00 71.24 C ATOM 605 O ASN A 79 -1.542 5.340 8.490 1.00 52.23 O ATOM 606 CB ASN A 79 -2.794 3.909 11.191 1.00 71.13 C ATOM 607 CG ASN A 79 -3.792 3.030 11.920 1.00 11.23 C ATOM 608 OD1 ASN A 79 -4.958 2.946 11.537 1.00 13.11 O ATOM 609 ND2 ASN A 79 -3.335 2.370 12.979 1.00 12.53 N ATOM 0 H ASN A 79 -2.753 1.647 10.152 1.00 24.33 H new ATOM 0 HA ASN A 79 -3.673 4.218 9.254 1.00 54.11 H new ATOM 0 HB2 ASN A 79 -1.792 3.706 11.568 1.00 71.13 H new ATOM 0 HB3 ASN A 79 -3.010 4.955 11.407 1.00 71.13 H new ATOM 0 HD21 ASN A 79 -3.960 1.763 13.510 1.00 12.53 H new ATOM 0 HD22 ASN A 79 -2.360 2.470 13.260 1.00 12.53 H new ATOM 616 N THR A 80 -0.463 3.477 9.145 1.00 51.31 N ATOM 617 CA THR A 80 0.818 3.892 8.587 1.00 22.22 C ATOM 618 C THR A 80 0.674 4.304 7.126 1.00 5.24 C ATOM 619 O THR A 80 1.051 5.412 6.744 1.00 40.21 O ATOM 620 CB THR A 80 1.866 2.767 8.691 1.00 52.31 C ATOM 621 OG1 THR A 80 1.582 1.936 9.821 1.00 32.31 O ATOM 622 CG2 THR A 80 3.267 3.344 8.819 1.00 45.04 C ATOM 0 H THR A 80 -0.448 2.566 9.604 1.00 51.31 H new ATOM 0 HA THR A 80 1.155 4.748 9.171 1.00 22.22 H new ATOM 0 HB THR A 80 1.818 2.170 7.780 1.00 52.31 H new ATOM 0 HG1 THR A 80 2.332 1.323 9.973 1.00 32.31 H new ATOM 0 HG21 THR A 80 3.990 2.531 8.891 1.00 45.04 H new ATOM 0 HG22 THR A 80 3.491 3.953 7.943 1.00 45.04 H new ATOM 0 HG23 THR A 80 3.325 3.962 9.715 1.00 45.04 H new ATOM 630 N VAL A 81 0.128 3.405 6.314 1.00 30.00 N ATOM 631 CA VAL A 81 -0.067 3.676 4.895 1.00 52.41 C ATOM 632 C VAL A 81 -0.799 4.998 4.684 1.00 62.24 C ATOM 633 O VAL A 81 -0.312 5.883 3.979 1.00 14.43 O ATOM 634 CB VAL A 81 -0.862 2.548 4.211 1.00 21.04 C ATOM 635 CG1 VAL A 81 -0.942 2.783 2.711 1.00 1.00 C ATOM 636 CG2 VAL A 81 -0.234 1.196 4.514 1.00 25.24 C ATOM 0 H VAL A 81 -0.187 2.483 6.615 1.00 30.00 H new ATOM 0 HA VAL A 81 0.924 3.736 4.445 1.00 52.41 H new ATOM 0 HB VAL A 81 -1.877 2.550 4.609 1.00 21.04 H new ATOM 0 HG11 VAL A 81 -1.507 1.976 2.246 1.00 1.00 H new ATOM 0 HG12 VAL A 81 -1.440 3.733 2.518 1.00 1.00 H new ATOM 0 HG13 VAL A 81 0.064 2.809 2.293 1.00 1.00 H new ATOM 0 HG21 VAL A 81 -0.808 0.410 4.023 1.00 25.24 H new ATOM 0 HG22 VAL A 81 0.792 1.180 4.145 1.00 25.24 H new ATOM 0 HG23 VAL A 81 -0.235 1.027 5.591 1.00 25.24 H new ATOM 646 N LEU A 82 -1.969 5.124 5.297 1.00 13.25 N ATOM 647 CA LEU A 82 -2.769 6.338 5.177 1.00 1.12 C ATOM 648 C LEU A 82 -1.958 7.566 5.577 1.00 2.42 C ATOM 649 O LEU A 82 -1.919 8.560 4.854 1.00 11.12 O ATOM 650 CB LEU A 82 -4.023 6.235 6.048 1.00 4.24 C ATOM 651 CG LEU A 82 -4.963 5.071 5.736 1.00 21.23 C ATOM 652 CD1 LEU A 82 -5.703 4.632 6.989 1.00 32.53 C ATOM 653 CD2 LEU A 82 -5.946 5.458 4.641 1.00 35.12 C ATOM 0 H LEU A 82 -2.386 4.401 5.883 1.00 13.25 H new ATOM 0 HA LEU A 82 -3.067 6.446 4.134 1.00 1.12 H new ATOM 0 HB2 LEU A 82 -3.712 6.155 7.090 1.00 4.24 H new ATOM 0 HB3 LEU A 82 -4.584 7.165 5.953 1.00 4.24 H new ATOM 0 HG LEU A 82 -4.365 4.232 5.380 1.00 21.23 H new ATOM 0 HD11 LEU A 82 -6.367 3.802 6.747 1.00 32.53 H new ATOM 0 HD12 LEU A 82 -4.984 4.313 7.743 1.00 32.53 H new ATOM 0 HD13 LEU A 82 -6.289 5.465 7.376 1.00 32.53 H new ATOM 0 HD21 LEU A 82 -6.607 4.617 4.432 1.00 35.12 H new ATOM 0 HD22 LEU A 82 -6.538 6.312 4.969 1.00 35.12 H new ATOM 0 HD23 LEU A 82 -5.398 5.722 3.737 1.00 35.12 H new ATOM 665 N GLY A 83 -1.309 7.489 6.735 1.00 12.12 N ATOM 666 CA GLY A 83 -0.505 8.600 7.211 1.00 54.02 C ATOM 667 C GLY A 83 0.502 9.070 6.180 1.00 54.13 C ATOM 668 O GLY A 83 0.635 10.268 5.936 1.00 52.42 O ATOM 0 H GLY A 83 -1.326 6.677 7.352 1.00 12.12 H new ATOM 0 HA2 GLY A 83 -1.159 9.429 7.480 1.00 54.02 H new ATOM 0 HA3 GLY A 83 0.021 8.302 8.118 1.00 54.02 H new ATOM 672 N GLU A 84 1.214 8.124 5.576 1.00 12.23 N ATOM 673 CA GLU A 84 2.215 8.449 4.568 1.00 43.21 C ATOM 674 C GLU A 84 1.610 9.295 3.452 1.00 53.51 C ATOM 675 O GLU A 84 2.218 10.261 2.989 1.00 3.45 O ATOM 676 CB GLU A 84 2.817 7.169 3.983 1.00 52.23 C ATOM 677 CG GLU A 84 3.470 6.273 5.022 1.00 12.10 C ATOM 678 CD GLU A 84 4.946 6.569 5.204 1.00 51.21 C ATOM 679 OE1 GLU A 84 5.338 6.958 6.323 1.00 13.44 O ATOM 680 OE2 GLU A 84 5.707 6.413 4.227 1.00 25.42 O ATOM 0 H GLU A 84 1.116 7.127 5.767 1.00 12.23 H new ATOM 0 HA GLU A 84 3.004 9.026 5.050 1.00 43.21 H new ATOM 0 HB2 GLU A 84 2.033 6.609 3.474 1.00 52.23 H new ATOM 0 HB3 GLU A 84 3.558 7.437 3.230 1.00 52.23 H new ATOM 0 HG2 GLU A 84 2.958 6.397 5.976 1.00 12.10 H new ATOM 0 HG3 GLU A 84 3.346 5.231 4.727 1.00 12.10 H new ATOM 688 N LEU A 85 0.409 8.926 3.023 1.00 33.41 N ATOM 689 CA LEU A 85 -0.281 9.650 1.961 1.00 55.42 C ATOM 690 C LEU A 85 -0.796 10.995 2.464 1.00 13.15 C ATOM 691 O LEU A 85 -0.880 11.962 1.708 1.00 43.25 O ATOM 692 CB LEU A 85 -1.444 8.817 1.420 1.00 65.43 C ATOM 693 CG LEU A 85 -1.103 7.390 0.988 1.00 64.21 C ATOM 694 CD1 LEU A 85 -2.361 6.640 0.581 1.00 32.50 C ATOM 695 CD2 LEU A 85 -0.096 7.405 -0.153 1.00 63.23 C ATOM 0 H LEU A 85 -0.108 8.129 3.394 1.00 33.41 H new ATOM 0 HA LEU A 85 0.433 9.832 1.157 1.00 55.42 H new ATOM 0 HB2 LEU A 85 -2.217 8.768 2.187 1.00 65.43 H new ATOM 0 HB3 LEU A 85 -1.874 9.341 0.566 1.00 65.43 H new ATOM 0 HG LEU A 85 -0.655 6.872 1.836 1.00 64.21 H new ATOM 0 HD11 LEU A 85 -2.098 5.627 0.277 1.00 32.50 H new ATOM 0 HD12 LEU A 85 -3.049 6.598 1.425 1.00 32.50 H new ATOM 0 HD13 LEU A 85 -2.839 7.156 -0.252 1.00 32.50 H new ATOM 0 HD21 LEU A 85 0.135 6.381 -0.448 1.00 63.23 H new ATOM 0 HD22 LEU A 85 -0.518 7.941 -1.003 1.00 63.23 H new ATOM 0 HD23 LEU A 85 0.817 7.903 0.174 1.00 63.23 H new ATOM 707 N VAL A 86 -1.139 11.050 3.747 1.00 22.43 N ATOM 708 CA VAL A 86 -1.642 12.276 4.353 1.00 33.21 C ATOM 709 C VAL A 86 -0.578 13.368 4.348 1.00 32.43 C ATOM 710 O VAL A 86 -0.894 14.558 4.340 1.00 23.13 O ATOM 711 CB VAL A 86 -2.110 12.036 5.801 1.00 61.23 C ATOM 712 CG1 VAL A 86 -2.601 13.333 6.425 1.00 15.41 C ATOM 713 CG2 VAL A 86 -3.195 10.971 5.840 1.00 13.13 C ATOM 0 H VAL A 86 -1.077 10.258 4.387 1.00 22.43 H new ATOM 0 HA VAL A 86 -2.493 12.599 3.754 1.00 33.21 H new ATOM 0 HB VAL A 86 -1.262 11.679 6.385 1.00 61.23 H new ATOM 0 HG11 VAL A 86 -2.928 13.144 7.448 1.00 15.41 H new ATOM 0 HG12 VAL A 86 -1.791 14.063 6.432 1.00 15.41 H new ATOM 0 HG13 VAL A 86 -3.436 13.723 5.844 1.00 15.41 H new ATOM 0 HG21 VAL A 86 -3.514 10.814 6.870 1.00 13.13 H new ATOM 0 HG22 VAL A 86 -4.046 11.297 5.242 1.00 13.13 H new ATOM 0 HG23 VAL A 86 -2.803 10.038 5.435 1.00 13.13 H new ATOM 723 N LYS A 87 0.684 12.956 4.354 1.00 42.11 N ATOM 724 CA LYS A 87 1.797 13.898 4.348 1.00 64.10 C ATOM 725 C LYS A 87 2.408 14.010 2.955 1.00 22.44 C ATOM 726 O LYS A 87 2.395 15.079 2.345 1.00 4.44 O ATOM 727 CB LYS A 87 2.867 13.461 5.352 1.00 22.32 C ATOM 728 CG LYS A 87 2.704 14.088 6.725 1.00 1.24 C ATOM 729 CD LYS A 87 4.050 14.415 7.353 1.00 51.13 C ATOM 730 CE LYS A 87 4.865 13.158 7.608 1.00 23.41 C ATOM 731 NZ LYS A 87 6.138 13.155 6.835 1.00 14.02 N ATOM 0 H LYS A 87 0.963 11.975 4.363 1.00 42.11 H new ATOM 0 HA LYS A 87 1.414 14.877 4.637 1.00 64.10 H new ATOM 0 HB2 LYS A 87 2.838 12.376 5.452 1.00 22.32 H new ATOM 0 HB3 LYS A 87 3.850 13.719 4.958 1.00 22.32 H new ATOM 0 HG2 LYS A 87 2.110 14.998 6.642 1.00 1.24 H new ATOM 0 HG3 LYS A 87 2.155 13.406 7.374 1.00 1.24 H new ATOM 0 HD2 LYS A 87 4.606 15.084 6.696 1.00 51.13 H new ATOM 0 HD3 LYS A 87 3.895 14.946 8.292 1.00 51.13 H new ATOM 0 HE2 LYS A 87 5.086 13.079 8.672 1.00 23.41 H new ATOM 0 HE3 LYS A 87 4.275 12.282 7.339 1.00 23.41 H new ATOM 0 HZ1 LYS A 87 6.665 12.281 7.037 1.00 14.02 H new ATOM 0 HZ2 LYS A 87 5.927 13.205 5.818 1.00 14.02 H new ATOM 0 HZ3 LYS A 87 6.713 13.977 7.110 1.00 14.02 H new ATOM 745 N HIS A 88 2.942 12.900 2.457 1.00 61.52 N ATOM 746 CA HIS A 88 3.557 12.873 1.134 1.00 54.23 C ATOM 747 C HIS A 88 2.504 12.652 0.051 1.00 62.30 C ATOM 748 O HIS A 88 2.431 11.579 -0.547 1.00 11.00 O ATOM 749 CB HIS A 88 4.618 11.775 1.063 1.00 34.20 C ATOM 750 CG HIS A 88 5.402 11.782 -0.213 1.00 2.51 C ATOM 751 ND1 HIS A 88 5.696 12.936 -0.910 1.00 25.34 N ATOM 752 CD2 HIS A 88 5.958 10.768 -0.917 1.00 74.44 C ATOM 753 CE1 HIS A 88 6.396 12.631 -1.987 1.00 64.24 C ATOM 754 NE2 HIS A 88 6.569 11.321 -2.015 1.00 51.42 N ATOM 0 H HIS A 88 2.962 12.007 2.949 1.00 61.52 H new ATOM 0 HA HIS A 88 4.034 13.838 0.962 1.00 54.23 H new ATOM 0 HB2 HIS A 88 5.304 11.889 1.902 1.00 34.20 H new ATOM 0 HB3 HIS A 88 4.134 10.805 1.177 1.00 34.20 H new ATOM 0 HD2 HIS A 88 5.927 9.719 -0.662 1.00 74.44 H new ATOM 0 HE1 HIS A 88 6.765 13.333 -2.721 1.00 64.24 H new ATOM 0 HE2 HIS A 88 7.074 10.805 -2.735 1.00 51.42 H new ATOM 763 N GLY A 89 1.691 13.674 -0.196 1.00 3.43 N ATOM 764 CA GLY A 89 0.654 13.571 -1.206 1.00 1.15 C ATOM 765 C GLY A 89 0.986 14.355 -2.460 1.00 20.14 C ATOM 766 O GLY A 89 2.009 15.037 -2.521 1.00 63.24 O ATOM 0 H GLY A 89 1.732 14.572 0.286 1.00 3.43 H new ATOM 0 HA2 GLY A 89 0.506 12.523 -1.465 1.00 1.15 H new ATOM 0 HA3 GLY A 89 -0.288 13.933 -0.794 1.00 1.15 H new TER 770 GLY A 89