USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 645 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 16 THR OG1 : rot 180:sc= 0.487 USER MOD Set 1.2: A 70 LYS NZ :NH3+ -139:sc= 1.79 (180deg=0.137) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.697 K(o=-0.7,f=-3.8!) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.051) USER MOD Single : A 23 HIS : no HE2:sc= 0.00114 X(o=0.0011,f=-0.081) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 0.65 K(o=0.65,f=-0.0054) USER MOD Single : A 27 SER OG : rot 29:sc= 0.618 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.197 X(o=-0.2,f=-0.21) USER MOD Single : A 58 MET CE :methyl -167:sc= 0 (180deg=-0.216) USER MOD Single : A 64 GLN : amide:sc= -0.0668 X(o=-0.067,f=-0.11) USER MOD Single : A 65 HIS : no HD1:sc= 0.55 K(o=0.55,f=-6!) USER MOD Single : A 67 THR OG1 : rot -72:sc= 1.21 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.146) USER MOD Single : A 75 ASN : amide:sc= -1.89 K(o=-1.9,f=-1.1) USER MOD Single : A 79 THR OG1 : rot -160:sc= -0.0413 USER MOD ----------------------------------------------------------------- ATOM 22 N ARG A 3 -12.551 7.712 0.568 1.00 51.20 N ATOM 23 CA ARG A 3 -11.186 7.491 0.102 1.00 45.11 C ATOM 24 C ARG A 3 -10.202 7.390 1.257 1.00 31.33 C ATOM 25 O ARG A 3 -9.905 8.383 1.932 1.00 40.33 O ATOM 26 CB ARG A 3 -10.884 8.579 -0.932 1.00 60.53 C ATOM 27 CG ARG A 3 -10.242 8.038 -2.211 1.00 31.23 C ATOM 28 CD ARG A 3 -8.719 7.926 -2.113 1.00 15.43 C ATOM 29 NE ARG A 3 -8.071 9.249 -2.043 1.00 3.50 N ATOM 30 CZ ARG A 3 -7.857 10.072 -3.080 1.00 21.42 C ATOM 31 NH1 ARG A 3 -8.364 9.820 -4.283 1.00 45.34 N ATOM 32 NH2 ARG A 3 -7.133 11.170 -2.900 1.00 64.02 N ATOM 0 HA ARG A 3 -11.075 6.524 -0.388 1.00 45.11 H new ATOM 0 HB2 ARG A 3 -11.810 9.094 -1.188 1.00 60.53 H new ATOM 0 HB3 ARG A 3 -10.220 9.320 -0.486 1.00 60.53 H new ATOM 0 HG2 ARG A 3 -10.660 7.056 -2.434 1.00 31.23 H new ATOM 0 HG3 ARG A 3 -10.500 8.691 -3.045 1.00 31.23 H new ATOM 0 HD2 ARG A 3 -8.454 7.345 -1.229 1.00 15.43 H new ATOM 0 HD3 ARG A 3 -8.339 7.382 -2.978 1.00 15.43 H new ATOM 0 HE ARG A 3 -7.758 9.566 -1.125 1.00 3.50 H new ATOM 0 HH11 ARG A 3 -8.930 8.985 -4.433 1.00 45.34 H new ATOM 0 HH12 ARG A 3 -8.187 10.462 -5.056 1.00 45.34 H new ATOM 0 HH21 ARG A 3 -6.746 11.381 -1.980 1.00 64.02 H new ATOM 0 HH22 ARG A 3 -6.964 11.803 -3.682 1.00 64.02 H new ATOM 46 N PHE A 4 -9.762 6.164 1.503 1.00 61.40 N ATOM 47 CA PHE A 4 -8.835 5.739 2.552 1.00 60.54 C ATOM 48 C PHE A 4 -7.425 5.589 1.977 1.00 73.15 C ATOM 49 O PHE A 4 -7.266 5.491 0.757 1.00 0.00 O ATOM 50 CB PHE A 4 -9.342 4.412 3.144 1.00 3.44 C ATOM 51 CG PHE A 4 -10.728 4.493 3.772 1.00 53.41 C ATOM 52 CD1 PHE A 4 -11.885 4.477 2.965 1.00 33.00 C ATOM 53 CD2 PHE A 4 -10.869 4.603 5.169 1.00 45.12 C ATOM 54 CE1 PHE A 4 -13.158 4.610 3.548 1.00 55.22 C ATOM 55 CE2 PHE A 4 -12.142 4.712 5.753 1.00 71.55 C ATOM 56 CZ PHE A 4 -13.289 4.724 4.941 1.00 5.03 C ATOM 0 H PHE A 4 -10.066 5.376 0.931 1.00 61.40 H new ATOM 0 HA PHE A 4 -8.789 6.487 3.343 1.00 60.54 H new ATOM 0 HB2 PHE A 4 -9.357 3.659 2.356 1.00 3.44 H new ATOM 0 HB3 PHE A 4 -8.634 4.070 3.899 1.00 3.44 H new ATOM 0 HD1 PHE A 4 -11.793 4.362 1.895 1.00 33.00 H new ATOM 0 HD2 PHE A 4 -9.990 4.604 5.797 1.00 45.12 H new ATOM 0 HE1 PHE A 4 -14.038 4.624 2.922 1.00 55.22 H new ATOM 0 HE2 PHE A 4 -12.239 4.787 6.826 1.00 71.55 H new ATOM 0 HZ PHE A 4 -14.268 4.821 5.387 1.00 5.03 H new ATOM 66 N ILE A 5 -6.402 5.626 2.839 1.00 4.12 N ATOM 67 CA ILE A 5 -4.994 5.523 2.461 1.00 31.35 C ATOM 68 C ILE A 5 -4.242 4.561 3.397 1.00 61.34 C ATOM 69 O ILE A 5 -4.573 4.429 4.580 1.00 51.02 O ATOM 70 CB ILE A 5 -4.385 6.954 2.408 1.00 33.55 C ATOM 71 CG1 ILE A 5 -5.067 7.878 1.363 1.00 41.10 C ATOM 72 CG2 ILE A 5 -2.873 6.975 2.094 1.00 62.54 C ATOM 73 CD1 ILE A 5 -5.102 9.344 1.800 1.00 70.11 C ATOM 0 H ILE A 5 -6.538 5.731 3.844 1.00 4.12 H new ATOM 0 HA ILE A 5 -4.895 5.088 1.467 1.00 31.35 H new ATOM 0 HB ILE A 5 -4.563 7.326 3.417 1.00 33.55 H new ATOM 0 HG12 ILE A 5 -4.536 7.799 0.414 1.00 41.10 H new ATOM 0 HG13 ILE A 5 -6.086 7.531 1.188 1.00 41.10 H new ATOM 0 HG21 ILE A 5 -2.520 8.006 2.074 1.00 62.54 H new ATOM 0 HG22 ILE A 5 -2.334 6.422 2.863 1.00 62.54 H new ATOM 0 HG23 ILE A 5 -2.697 6.512 1.123 1.00 62.54 H new ATOM 0 HD11 ILE A 5 -5.590 9.942 1.030 1.00 70.11 H new ATOM 0 HD12 ILE A 5 -5.657 9.432 2.734 1.00 70.11 H new ATOM 0 HD13 ILE A 5 -4.084 9.704 1.948 1.00 70.11 H new ATOM 85 N VAL A 6 -3.216 3.882 2.883 1.00 21.15 N ATOM 86 CA VAL A 6 -2.362 2.949 3.618 1.00 60.25 C ATOM 87 C VAL A 6 -0.949 3.548 3.617 1.00 61.30 C ATOM 88 O VAL A 6 -0.451 3.972 2.564 1.00 55.33 O ATOM 89 CB VAL A 6 -2.427 1.540 2.994 1.00 51.13 C ATOM 90 CG1 VAL A 6 -1.522 0.546 3.731 1.00 73.30 C ATOM 91 CG2 VAL A 6 -3.858 0.983 3.025 1.00 23.34 C ATOM 0 H VAL A 6 -2.946 3.971 1.903 1.00 21.15 H new ATOM 0 HA VAL A 6 -2.696 2.819 4.647 1.00 60.25 H new ATOM 0 HB VAL A 6 -2.087 1.651 1.964 1.00 51.13 H new ATOM 0 HG11 VAL A 6 -1.598 -0.434 3.259 1.00 73.30 H new ATOM 0 HG12 VAL A 6 -0.489 0.892 3.686 1.00 73.30 H new ATOM 0 HG13 VAL A 6 -1.835 0.472 4.773 1.00 73.30 H new ATOM 0 HG21 VAL A 6 -3.871 -0.011 2.578 1.00 23.34 H new ATOM 0 HG22 VAL A 6 -4.202 0.922 4.057 1.00 23.34 H new ATOM 0 HG23 VAL A 6 -4.518 1.643 2.461 1.00 23.34 H new ATOM 101 N PHE A 7 -0.350 3.640 4.807 1.00 50.52 N ATOM 102 CA PHE A 7 0.982 4.162 5.045 1.00 43.32 C ATOM 103 C PHE A 7 1.943 3.001 4.894 1.00 62.01 C ATOM 104 O PHE A 7 1.702 1.951 5.487 1.00 63.34 O ATOM 105 CB PHE A 7 1.131 4.672 6.495 1.00 20.21 C ATOM 106 CG PHE A 7 2.521 5.201 6.806 1.00 52.24 C ATOM 107 CD1 PHE A 7 3.110 6.176 5.979 1.00 32.35 C ATOM 108 CD2 PHE A 7 3.259 4.681 7.884 1.00 3.42 C ATOM 109 CE1 PHE A 7 4.433 6.585 6.196 1.00 33.21 C ATOM 110 CE2 PHE A 7 4.578 5.099 8.113 1.00 62.41 C ATOM 111 CZ PHE A 7 5.168 6.038 7.257 1.00 73.20 C ATOM 0 H PHE A 7 -0.809 3.336 5.666 1.00 50.52 H new ATOM 0 HA PHE A 7 1.175 4.980 4.351 1.00 43.32 H new ATOM 0 HB2 PHE A 7 0.401 5.462 6.672 1.00 20.21 H new ATOM 0 HB3 PHE A 7 0.896 3.861 7.184 1.00 20.21 H new ATOM 0 HD1 PHE A 7 2.539 6.612 5.172 1.00 32.35 H new ATOM 0 HD2 PHE A 7 2.806 3.953 8.541 1.00 3.42 H new ATOM 0 HE1 PHE A 7 4.885 7.320 5.547 1.00 33.21 H new ATOM 0 HE2 PHE A 7 5.137 4.699 8.946 1.00 62.41 H new ATOM 0 HZ PHE A 7 6.192 6.341 7.415 1.00 73.20 H new ATOM 121 N VAL A 8 3.024 3.160 4.138 1.00 23.23 N ATOM 122 CA VAL A 8 4.004 2.098 3.978 1.00 74.42 C ATOM 123 C VAL A 8 5.371 2.765 4.039 1.00 24.02 C ATOM 124 O VAL A 8 5.566 3.755 3.335 1.00 31.23 O ATOM 125 CB VAL A 8 3.776 1.304 2.675 1.00 2.12 C ATOM 126 CG1 VAL A 8 4.577 -0.001 2.720 1.00 74.22 C ATOM 127 CG2 VAL A 8 2.309 0.926 2.418 1.00 54.45 C ATOM 0 H VAL A 8 3.242 4.016 3.627 1.00 23.23 H new ATOM 0 HA VAL A 8 3.917 1.353 4.769 1.00 74.42 H new ATOM 0 HB VAL A 8 4.099 1.967 1.872 1.00 2.12 H new ATOM 0 HG11 VAL A 8 4.414 -0.560 1.798 1.00 74.22 H new ATOM 0 HG12 VAL A 8 5.638 0.227 2.824 1.00 74.22 H new ATOM 0 HG13 VAL A 8 4.250 -0.600 3.570 1.00 74.22 H new ATOM 0 HG21 VAL A 8 2.235 0.370 1.483 1.00 54.45 H new ATOM 0 HG22 VAL A 8 1.944 0.307 3.238 1.00 54.45 H new ATOM 0 HG23 VAL A 8 1.706 1.832 2.350 1.00 54.45 H new ATOM 137 N GLY A 9 6.297 2.282 4.877 1.00 13.42 N ATOM 138 CA GLY A 9 7.643 2.844 5.003 1.00 42.15 C ATOM 139 C GLY A 9 8.704 1.755 5.130 1.00 54.25 C ATOM 140 O GLY A 9 8.395 0.570 5.000 1.00 11.33 O ATOM 0 H GLY A 9 6.130 1.484 5.490 1.00 13.42 H new ATOM 0 HA2 GLY A 9 7.861 3.463 4.133 1.00 42.15 H new ATOM 0 HA3 GLY A 9 7.684 3.495 5.876 1.00 42.15 H new ATOM 144 N SER A 10 9.961 2.149 5.351 1.00 34.42 N ATOM 145 CA SER A 10 11.127 1.276 5.461 1.00 74.11 C ATOM 146 C SER A 10 11.480 0.641 4.095 1.00 52.02 C ATOM 147 O SER A 10 12.257 -0.313 4.037 1.00 11.23 O ATOM 148 CB SER A 10 10.931 0.248 6.593 1.00 25.32 C ATOM 149 OG SER A 10 11.691 0.570 7.748 1.00 10.32 O ATOM 0 H SER A 10 10.202 3.134 5.463 1.00 34.42 H new ATOM 0 HA SER A 10 11.995 1.873 5.740 1.00 74.11 H new ATOM 0 HB2 SER A 10 9.875 0.199 6.857 1.00 25.32 H new ATOM 0 HB3 SER A 10 11.217 -0.741 6.236 1.00 25.32 H new ATOM 0 HG SER A 10 11.536 -0.106 8.441 1.00 10.32 H new ATOM 155 N LEU A 11 10.928 1.161 2.990 1.00 73.44 N ATOM 156 CA LEU A 11 11.144 0.673 1.627 1.00 72.23 C ATOM 157 C LEU A 11 12.622 0.762 1.224 1.00 31.55 C ATOM 158 O LEU A 11 13.325 1.666 1.691 1.00 24.01 O ATOM 159 CB LEU A 11 10.305 1.487 0.614 1.00 33.44 C ATOM 160 CG LEU A 11 8.839 1.040 0.462 1.00 41.31 C ATOM 161 CD1 LEU A 11 8.041 1.104 1.768 1.00 44.12 C ATOM 162 CD2 LEU A 11 8.118 1.946 -0.530 1.00 20.02 C ATOM 0 H LEU A 11 10.297 1.961 3.025 1.00 73.44 H new ATOM 0 HA LEU A 11 10.833 -0.372 1.611 1.00 72.23 H new ATOM 0 HB2 LEU A 11 10.319 2.534 0.915 1.00 33.44 H new ATOM 0 HB3 LEU A 11 10.788 1.430 -0.362 1.00 33.44 H new ATOM 0 HG LEU A 11 8.886 0.004 0.126 1.00 41.31 H new ATOM 0 HD11 LEU A 11 7.018 0.775 1.586 1.00 44.12 H new ATOM 0 HD12 LEU A 11 8.504 0.454 2.510 1.00 44.12 H new ATOM 0 HD13 LEU A 11 8.032 2.129 2.139 1.00 44.12 H new ATOM 0 HD21 LEU A 11 7.082 1.623 -0.631 1.00 20.02 H new ATOM 0 HD22 LEU A 11 8.144 2.974 -0.169 1.00 20.02 H new ATOM 0 HD23 LEU A 11 8.612 1.890 -1.500 1.00 20.02 H new ATOM 174 N PRO A 12 13.092 -0.131 0.332 1.00 62.00 N ATOM 175 CA PRO A 12 14.469 -0.128 -0.145 1.00 11.21 C ATOM 176 C PRO A 12 14.724 1.116 -0.997 1.00 24.22 C ATOM 177 O PRO A 12 13.807 1.697 -1.574 1.00 35.20 O ATOM 178 CB PRO A 12 14.635 -1.410 -0.976 1.00 21.20 C ATOM 179 CG PRO A 12 13.213 -1.805 -1.367 1.00 64.24 C ATOM 180 CD PRO A 12 12.340 -1.227 -0.261 1.00 11.32 C ATOM 0 HA PRO A 12 15.184 -0.104 0.677 1.00 11.21 H new ATOM 0 HB2 PRO A 12 15.253 -1.234 -1.856 1.00 21.20 H new ATOM 0 HB3 PRO A 12 15.120 -2.197 -0.398 1.00 21.20 H new ATOM 0 HG2 PRO A 12 12.941 -1.398 -2.341 1.00 64.24 H new ATOM 0 HG3 PRO A 12 13.105 -2.888 -1.433 1.00 64.24 H new ATOM 0 HD2 PRO A 12 11.390 -0.873 -0.662 1.00 11.32 H new ATOM 0 HD3 PRO A 12 12.107 -1.986 0.486 1.00 11.32 H new ATOM 188 N ARG A 13 15.987 1.517 -1.128 1.00 2.03 N ATOM 189 CA ARG A 13 16.350 2.684 -1.925 1.00 60.34 C ATOM 190 C ARG A 13 16.136 2.419 -3.412 1.00 60.31 C ATOM 191 O ARG A 13 15.734 3.318 -4.144 1.00 13.11 O ATOM 192 CB ARG A 13 17.803 3.069 -1.645 1.00 22.21 C ATOM 193 CG ARG A 13 18.138 4.406 -2.328 1.00 53.10 C ATOM 194 CD ARG A 13 18.965 5.262 -1.381 1.00 4.12 C ATOM 195 NE ARG A 13 19.102 6.644 -1.864 1.00 12.50 N ATOM 196 CZ ARG A 13 18.297 7.677 -1.572 1.00 21.12 C ATOM 197 NH1 ARG A 13 17.365 7.575 -0.626 1.00 4.21 N ATOM 198 NH2 ARG A 13 18.426 8.821 -2.232 1.00 1.20 N ATOM 0 H ARG A 13 16.779 1.047 -0.689 1.00 2.03 H new ATOM 0 HA ARG A 13 15.704 3.515 -1.642 1.00 60.34 H new ATOM 0 HB2 ARG A 13 17.965 3.150 -0.570 1.00 22.21 H new ATOM 0 HB3 ARG A 13 18.471 2.288 -2.010 1.00 22.21 H new ATOM 0 HG2 ARG A 13 18.690 4.228 -3.251 1.00 53.10 H new ATOM 0 HG3 ARG A 13 17.221 4.928 -2.601 1.00 53.10 H new ATOM 0 HD2 ARG A 13 18.498 5.267 -0.396 1.00 4.12 H new ATOM 0 HD3 ARG A 13 19.954 4.820 -1.263 1.00 4.12 H new ATOM 0 HE ARG A 13 19.889 6.837 -2.484 1.00 12.50 H new ATOM 0 HH11 ARG A 13 17.255 6.702 -0.111 1.00 4.21 H new ATOM 0 HH12 ARG A 13 16.761 8.370 -0.417 1.00 4.21 H new ATOM 0 HH21 ARG A 13 19.136 8.913 -2.959 1.00 1.20 H new ATOM 0 HH22 ARG A 13 17.816 9.608 -2.012 1.00 1.20 H new ATOM 212 N ASP A 14 16.400 1.189 -3.852 1.00 54.12 N ATOM 213 CA ASP A 14 16.262 0.775 -5.249 1.00 5.01 C ATOM 214 C ASP A 14 14.854 0.271 -5.587 1.00 35.14 C ATOM 215 O ASP A 14 14.650 -0.426 -6.580 1.00 62.55 O ATOM 216 CB ASP A 14 17.355 -0.226 -5.611 1.00 12.11 C ATOM 217 CG ASP A 14 17.941 -0.005 -7.005 1.00 4.12 C ATOM 218 OD1 ASP A 14 17.264 0.529 -7.911 1.00 14.01 O ATOM 219 OD2 ASP A 14 19.131 -0.341 -7.187 1.00 73.30 O ATOM 0 H ASP A 14 16.721 0.440 -3.238 1.00 54.12 H new ATOM 0 HA ASP A 14 16.397 1.658 -5.874 1.00 5.01 H new ATOM 0 HB2 ASP A 14 18.155 -0.162 -4.874 1.00 12.11 H new ATOM 0 HB3 ASP A 14 16.948 -1.235 -5.552 1.00 12.11 H new ATOM 224 N ILE A 15 13.871 0.544 -4.723 1.00 65.31 N ATOM 225 CA ILE A 15 12.478 0.157 -4.900 1.00 71.41 C ATOM 226 C ILE A 15 11.949 0.562 -6.287 1.00 2.22 C ATOM 227 O ILE A 15 12.279 1.645 -6.772 1.00 20.54 O ATOM 228 CB ILE A 15 11.641 0.788 -3.770 1.00 61.24 C ATOM 229 CG1 ILE A 15 10.175 0.345 -3.858 1.00 31.43 C ATOM 230 CG2 ILE A 15 11.726 2.319 -3.769 1.00 34.22 C ATOM 231 CD1 ILE A 15 9.963 -1.120 -3.538 1.00 23.13 C ATOM 0 H ILE A 15 14.034 1.056 -3.856 1.00 65.31 H new ATOM 0 HA ILE A 15 12.398 -0.929 -4.846 1.00 71.41 H new ATOM 0 HB ILE A 15 12.065 0.431 -2.832 1.00 61.24 H new ATOM 0 HG12 ILE A 15 9.580 0.948 -3.172 1.00 31.43 H new ATOM 0 HG13 ILE A 15 9.803 0.546 -4.863 1.00 31.43 H new ATOM 0 HG21 ILE A 15 11.120 2.717 -2.955 1.00 34.22 H new ATOM 0 HG22 ILE A 15 12.763 2.626 -3.632 1.00 34.22 H new ATOM 0 HG23 ILE A 15 11.356 2.705 -4.719 1.00 34.22 H new ATOM 0 HD11 ILE A 15 8.903 -1.361 -3.620 1.00 23.13 H new ATOM 0 HD12 ILE A 15 10.530 -1.732 -4.240 1.00 23.13 H new ATOM 0 HD13 ILE A 15 10.303 -1.324 -2.523 1.00 23.13 H new ATOM 243 N THR A 16 11.131 -0.283 -6.927 1.00 41.31 N ATOM 244 CA THR A 16 10.557 0.026 -8.233 1.00 34.44 C ATOM 245 C THR A 16 9.045 -0.179 -8.176 1.00 23.11 C ATOM 246 O THR A 16 8.564 -1.051 -7.452 1.00 30.30 O ATOM 247 CB THR A 16 11.325 -0.693 -9.359 1.00 31.32 C ATOM 248 OG1 THR A 16 11.630 -2.039 -9.033 1.00 4.42 O ATOM 249 CG2 THR A 16 12.647 0.037 -9.635 1.00 70.02 C ATOM 0 H THR A 16 10.853 -1.191 -6.554 1.00 41.31 H new ATOM 0 HA THR A 16 10.685 1.077 -8.493 1.00 34.44 H new ATOM 0 HB THR A 16 10.677 -0.685 -10.235 1.00 31.32 H new ATOM 0 HG1 THR A 16 12.115 -2.454 -9.777 1.00 4.42 H new ATOM 0 HG21 THR A 16 13.186 -0.475 -10.432 1.00 70.02 H new ATOM 0 HG22 THR A 16 12.440 1.063 -9.939 1.00 70.02 H new ATOM 0 HG23 THR A 16 13.255 0.042 -8.731 1.00 70.02 H new ATOM 257 N ALA A 17 8.283 0.616 -8.936 1.00 63.13 N ATOM 258 CA ALA A 17 6.827 0.535 -8.962 1.00 72.55 C ATOM 259 C ALA A 17 6.338 -0.838 -9.406 1.00 50.51 C ATOM 260 O ALA A 17 5.252 -1.232 -8.997 1.00 73.21 O ATOM 261 CB ALA A 17 6.234 1.629 -9.847 1.00 23.20 C ATOM 0 H ALA A 17 8.665 1.335 -9.551 1.00 63.13 H new ATOM 0 HA ALA A 17 6.481 0.690 -7.940 1.00 72.55 H new ATOM 0 HB1 ALA A 17 5.147 1.546 -9.849 1.00 23.20 H new ATOM 0 HB2 ALA A 17 6.523 2.606 -9.460 1.00 23.20 H new ATOM 0 HB3 ALA A 17 6.608 1.517 -10.865 1.00 23.20 H new ATOM 267 N VAL A 18 7.119 -1.568 -10.205 1.00 31.13 N ATOM 268 CA VAL A 18 6.732 -2.899 -10.647 1.00 21.02 C ATOM 269 C VAL A 18 6.612 -3.815 -9.426 1.00 53.14 C ATOM 270 O VAL A 18 5.709 -4.653 -9.393 1.00 0.24 O ATOM 271 CB VAL A 18 7.698 -3.419 -11.738 1.00 1.05 C ATOM 272 CG1 VAL A 18 9.179 -3.353 -11.339 1.00 41.34 C ATOM 273 CG2 VAL A 18 7.370 -4.856 -12.170 1.00 54.11 C ATOM 0 H VAL A 18 8.024 -1.255 -10.557 1.00 31.13 H new ATOM 0 HA VAL A 18 5.753 -2.875 -11.125 1.00 21.02 H new ATOM 0 HB VAL A 18 7.543 -2.738 -12.575 1.00 1.05 H new ATOM 0 HG11 VAL A 18 9.793 -3.735 -12.155 1.00 41.34 H new ATOM 0 HG12 VAL A 18 9.454 -2.319 -11.131 1.00 41.34 H new ATOM 0 HG13 VAL A 18 9.343 -3.959 -10.448 1.00 41.34 H new ATOM 0 HG21 VAL A 18 8.076 -5.175 -12.937 1.00 54.11 H new ATOM 0 HG22 VAL A 18 7.444 -5.521 -11.309 1.00 54.11 H new ATOM 0 HG23 VAL A 18 6.357 -4.893 -12.571 1.00 54.11 H new ATOM 283 N GLU A 19 7.483 -3.641 -8.427 1.00 71.23 N ATOM 284 CA GLU A 19 7.490 -4.442 -7.206 1.00 62.51 C ATOM 285 C GLU A 19 6.306 -4.027 -6.337 1.00 54.42 C ATOM 286 O GLU A 19 5.604 -4.875 -5.793 1.00 20.51 O ATOM 287 CB GLU A 19 8.826 -4.194 -6.479 1.00 60.33 C ATOM 288 CG GLU A 19 10.040 -4.598 -7.322 1.00 53.23 C ATOM 289 CD GLU A 19 10.106 -6.107 -7.557 1.00 32.01 C ATOM 290 OE1 GLU A 19 9.505 -6.590 -8.543 1.00 23.44 O ATOM 291 OE2 GLU A 19 10.725 -6.833 -6.749 1.00 70.24 O ATOM 0 H GLU A 19 8.212 -2.928 -8.447 1.00 71.23 H new ATOM 0 HA GLU A 19 7.396 -5.505 -7.428 1.00 62.51 H new ATOM 0 HB2 GLU A 19 8.904 -3.138 -6.220 1.00 60.33 H new ATOM 0 HB3 GLU A 19 8.836 -4.753 -5.544 1.00 60.33 H new ATOM 0 HG2 GLU A 19 10.000 -4.084 -8.282 1.00 53.23 H new ATOM 0 HG3 GLU A 19 10.952 -4.270 -6.823 1.00 53.23 H new ATOM 298 N LEU A 20 6.053 -2.718 -6.232 1.00 31.42 N ATOM 299 CA LEU A 20 4.946 -2.199 -5.441 1.00 11.31 C ATOM 300 C LEU A 20 3.629 -2.710 -6.013 1.00 4.32 C ATOM 301 O LEU A 20 2.783 -3.206 -5.266 1.00 50.24 O ATOM 302 CB LEU A 20 4.977 -0.667 -5.385 1.00 44.35 C ATOM 303 CG LEU A 20 6.224 -0.117 -4.676 1.00 62.10 C ATOM 304 CD1 LEU A 20 6.122 1.398 -4.549 1.00 61.31 C ATOM 305 CD2 LEU A 20 6.388 -0.663 -3.259 1.00 65.10 C ATOM 0 H LEU A 20 6.609 -1.997 -6.692 1.00 31.42 H new ATOM 0 HA LEU A 20 5.043 -2.556 -4.416 1.00 11.31 H new ATOM 0 HB2 LEU A 20 4.939 -0.271 -6.400 1.00 44.35 H new ATOM 0 HB3 LEU A 20 4.086 -0.310 -4.869 1.00 44.35 H new ATOM 0 HG LEU A 20 7.076 -0.425 -5.283 1.00 62.10 H new ATOM 0 HD11 LEU A 20 7.009 1.781 -4.045 1.00 61.31 H new ATOM 0 HD12 LEU A 20 6.048 1.842 -5.542 1.00 61.31 H new ATOM 0 HD13 LEU A 20 5.236 1.656 -3.969 1.00 61.31 H new ATOM 0 HD21 LEU A 20 7.285 -0.240 -2.808 1.00 65.10 H new ATOM 0 HD22 LEU A 20 5.518 -0.391 -2.661 1.00 65.10 H new ATOM 0 HD23 LEU A 20 6.478 -1.749 -3.296 1.00 65.10 H new ATOM 317 N GLN A 21 3.439 -2.578 -7.328 1.00 55.20 N ATOM 318 CA GLN A 21 2.241 -3.042 -8.010 1.00 11.11 C ATOM 319 C GLN A 21 2.108 -4.538 -7.757 1.00 14.24 C ATOM 320 O GLN A 21 1.046 -5.001 -7.361 1.00 1.13 O ATOM 321 CB GLN A 21 2.341 -2.761 -9.523 1.00 1.34 C ATOM 322 CG GLN A 21 2.004 -1.312 -9.909 1.00 12.30 C ATOM 323 CD GLN A 21 0.495 -1.061 -9.966 1.00 42.12 C ATOM 324 OE1 GLN A 21 -0.266 -1.598 -9.168 1.00 60.24 O ATOM 325 NE2 GLN A 21 0.027 -0.232 -10.885 1.00 32.42 N ATOM 0 H GLN A 21 4.121 -2.142 -7.949 1.00 55.20 H new ATOM 0 HA GLN A 21 1.365 -2.516 -7.631 1.00 11.11 H new ATOM 0 HB2 GLN A 21 3.352 -2.991 -9.860 1.00 1.34 H new ATOM 0 HB3 GLN A 21 1.668 -3.434 -10.053 1.00 1.34 H new ATOM 0 HG2 GLN A 21 2.456 -0.632 -9.187 1.00 12.30 H new ATOM 0 HG3 GLN A 21 2.445 -1.085 -10.880 1.00 12.30 H new ATOM 0 HE21 GLN A 21 0.666 0.211 -11.545 1.00 32.42 H new ATOM 0 HE22 GLN A 21 -0.973 -0.036 -10.933 1.00 32.42 H new ATOM 334 N ASN A 22 3.204 -5.282 -7.918 1.00 63.21 N ATOM 335 CA ASN A 22 3.230 -6.720 -7.729 1.00 52.43 C ATOM 336 C ASN A 22 2.782 -7.172 -6.342 1.00 51.13 C ATOM 337 O ASN A 22 1.990 -8.107 -6.246 1.00 71.13 O ATOM 338 CB ASN A 22 4.620 -7.266 -8.055 1.00 74.41 C ATOM 339 CG ASN A 22 4.606 -8.774 -7.979 1.00 51.25 C ATOM 340 OD1 ASN A 22 3.819 -9.421 -8.676 1.00 42.31 O ATOM 341 ND2 ASN A 22 5.495 -9.344 -7.192 1.00 64.22 N ATOM 0 H ASN A 22 4.107 -4.890 -8.187 1.00 63.21 H new ATOM 0 HA ASN A 22 2.497 -7.134 -8.422 1.00 52.43 H new ATOM 0 HB2 ASN A 22 4.922 -6.945 -9.052 1.00 74.41 H new ATOM 0 HB3 ASN A 22 5.352 -6.864 -7.355 1.00 74.41 H new ATOM 0 HD21 ASN A 22 5.553 -10.361 -7.141 1.00 64.22 H new ATOM 0 HD22 ASN A 22 6.125 -8.768 -6.634 1.00 64.22 H new ATOM 348 N HIS A 23 3.250 -6.559 -5.257 1.00 63.54 N ATOM 349 CA HIS A 23 2.830 -6.971 -3.917 1.00 44.11 C ATOM 350 C HIS A 23 1.347 -6.686 -3.714 1.00 43.13 C ATOM 351 O HIS A 23 0.566 -7.601 -3.446 1.00 21.12 O ATOM 352 CB HIS A 23 3.687 -6.298 -2.847 1.00 22.42 C ATOM 353 CG HIS A 23 4.923 -7.100 -2.570 1.00 61.31 C ATOM 354 ND1 HIS A 23 6.027 -7.153 -3.411 1.00 52.11 N ATOM 355 CD2 HIS A 23 5.099 -7.960 -1.528 1.00 32.33 C ATOM 356 CE1 HIS A 23 6.847 -8.060 -2.863 1.00 52.44 C ATOM 357 NE2 HIS A 23 6.323 -8.558 -1.729 1.00 64.33 N ATOM 0 H HIS A 23 3.913 -5.784 -5.276 1.00 63.54 H new ATOM 0 HA HIS A 23 2.978 -8.047 -3.820 1.00 44.11 H new ATOM 0 HB2 HIS A 23 3.964 -5.296 -3.174 1.00 22.42 H new ATOM 0 HB3 HIS A 23 3.109 -6.185 -1.930 1.00 22.42 H new ATOM 0 HD1 HIS A 23 6.181 -6.616 -4.264 1.00 52.11 H new ATOM 0 HD2 HIS A 23 4.417 -8.137 -0.710 1.00 32.33 H new ATOM 0 HE1 HIS A 23 7.801 -8.352 -3.277 1.00 52.44 H new ATOM 365 N PHE A 24 0.935 -5.433 -3.894 1.00 22.23 N ATOM 366 CA PHE A 24 -0.455 -5.022 -3.717 1.00 22.33 C ATOM 367 C PHE A 24 -1.398 -5.485 -4.829 1.00 10.34 C ATOM 368 O PHE A 24 -2.595 -5.218 -4.723 1.00 23.02 O ATOM 369 CB PHE A 24 -0.525 -3.523 -3.416 1.00 40.10 C ATOM 370 CG PHE A 24 0.177 -3.150 -2.121 1.00 55.41 C ATOM 371 CD1 PHE A 24 -0.462 -3.330 -0.877 1.00 42.54 C ATOM 372 CD2 PHE A 24 1.476 -2.621 -2.156 1.00 1.53 C ATOM 373 CE1 PHE A 24 0.191 -2.966 0.315 1.00 12.44 C ATOM 374 CE2 PHE A 24 2.113 -2.219 -0.972 1.00 73.21 C ATOM 375 CZ PHE A 24 1.478 -2.402 0.268 1.00 35.43 C ATOM 0 H PHE A 24 1.558 -4.673 -4.167 1.00 22.23 H new ATOM 0 HA PHE A 24 -0.842 -5.551 -2.846 1.00 22.33 H new ATOM 0 HB2 PHE A 24 -0.075 -2.970 -4.240 1.00 40.10 H new ATOM 0 HB3 PHE A 24 -1.570 -3.217 -3.359 1.00 40.10 H new ATOM 0 HD1 PHE A 24 -1.457 -3.749 -0.839 1.00 42.54 H new ATOM 0 HD2 PHE A 24 1.989 -2.522 -3.101 1.00 1.53 H new ATOM 0 HE1 PHE A 24 -0.297 -3.120 1.266 1.00 12.44 H new ATOM 0 HE2 PHE A 24 3.093 -1.768 -1.014 1.00 73.21 H new ATOM 0 HZ PHE A 24 1.976 -2.111 1.181 1.00 35.43 H new ATOM 385 N LYS A 25 -0.943 -6.276 -5.807 1.00 14.25 N ATOM 386 CA LYS A 25 -1.739 -6.792 -6.914 1.00 3.14 C ATOM 387 C LYS A 25 -2.997 -7.527 -6.463 1.00 64.51 C ATOM 388 O LYS A 25 -3.977 -7.548 -7.203 1.00 21.11 O ATOM 389 CB LYS A 25 -0.852 -7.690 -7.802 1.00 53.14 C ATOM 390 CG LYS A 25 -0.830 -9.190 -7.442 1.00 25.25 C ATOM 391 CD LYS A 25 0.211 -10.034 -8.195 1.00 43.24 C ATOM 392 CE LYS A 25 0.114 -9.879 -9.714 1.00 41.43 C ATOM 393 NZ LYS A 25 0.893 -10.917 -10.419 1.00 54.05 N ATOM 0 H LYS A 25 0.029 -6.583 -5.846 1.00 14.25 H new ATOM 0 HA LYS A 25 -2.095 -5.938 -7.491 1.00 3.14 H new ATOM 0 HB2 LYS A 25 -1.187 -7.590 -8.834 1.00 53.14 H new ATOM 0 HB3 LYS A 25 0.170 -7.312 -7.760 1.00 53.14 H new ATOM 0 HG2 LYS A 25 -0.646 -9.287 -6.372 1.00 25.25 H new ATOM 0 HG3 LYS A 25 -1.819 -9.607 -7.634 1.00 25.25 H new ATOM 0 HD2 LYS A 25 1.210 -9.746 -7.868 1.00 43.24 H new ATOM 0 HD3 LYS A 25 0.080 -11.084 -7.932 1.00 43.24 H new ATOM 0 HE2 LYS A 25 -0.931 -9.937 -10.020 1.00 41.43 H new ATOM 0 HE3 LYS A 25 0.476 -8.893 -10.003 1.00 41.43 H new ATOM 0 HZ1 LYS A 25 0.804 -10.780 -11.446 1.00 54.05 H new ATOM 0 HZ2 LYS A 25 1.894 -10.845 -10.146 1.00 54.05 H new ATOM 0 HZ3 LYS A 25 0.531 -11.857 -10.162 1.00 54.05 H new ATOM 407 N ASN A 26 -2.962 -8.177 -5.293 1.00 53.02 N ATOM 408 CA ASN A 26 -4.089 -8.928 -4.731 1.00 55.44 C ATOM 409 C ASN A 26 -5.029 -8.039 -3.887 1.00 34.30 C ATOM 410 O ASN A 26 -6.093 -8.479 -3.445 1.00 4.14 O ATOM 411 CB ASN A 26 -3.542 -10.140 -3.959 1.00 32.54 C ATOM 412 CG ASN A 26 -4.486 -11.337 -4.009 1.00 71.52 C ATOM 413 OD1 ASN A 26 -4.138 -12.384 -4.565 1.00 34.14 O ATOM 414 ND2 ASN A 26 -5.665 -11.221 -3.435 1.00 43.32 N ATOM 0 H ASN A 26 -2.133 -8.195 -4.700 1.00 53.02 H new ATOM 0 HA ASN A 26 -4.718 -9.293 -5.543 1.00 55.44 H new ATOM 0 HB2 ASN A 26 -2.576 -10.426 -4.374 1.00 32.54 H new ATOM 0 HB3 ASN A 26 -3.372 -9.858 -2.920 1.00 32.54 H new ATOM 0 HD21 ASN A 26 -6.315 -12.007 -3.443 1.00 43.32 H new ATOM 0 HD22 ASN A 26 -5.928 -10.345 -2.983 1.00 43.32 H new ATOM 421 N SER A 27 -4.640 -6.790 -3.628 1.00 52.11 N ATOM 422 CA SER A 27 -5.389 -5.788 -2.865 1.00 61.15 C ATOM 423 C SER A 27 -5.858 -4.639 -3.780 1.00 54.41 C ATOM 424 O SER A 27 -6.669 -3.835 -3.351 1.00 63.02 O ATOM 425 CB SER A 27 -4.581 -5.303 -1.648 1.00 51.23 C ATOM 426 OG SER A 27 -3.188 -5.252 -1.910 1.00 61.54 O ATOM 0 H SER A 27 -3.746 -6.430 -3.962 1.00 52.11 H new ATOM 0 HA SER A 27 -6.291 -6.252 -2.466 1.00 61.15 H new ATOM 0 HB2 SER A 27 -4.929 -4.313 -1.355 1.00 51.23 H new ATOM 0 HB3 SER A 27 -4.765 -5.968 -0.804 1.00 51.23 H new ATOM 0 HG SER A 27 -3.041 -5.084 -2.864 1.00 61.54 H new ATOM 432 N SER A 28 -5.394 -4.574 -5.030 1.00 42.41 N ATOM 433 CA SER A 28 -5.744 -3.580 -6.048 1.00 52.53 C ATOM 434 C SER A 28 -5.898 -2.129 -5.544 1.00 41.34 C ATOM 435 O SER A 28 -7.030 -1.654 -5.377 1.00 22.42 O ATOM 436 CB SER A 28 -7.017 -4.034 -6.769 1.00 55.33 C ATOM 437 OG SER A 28 -6.853 -5.326 -7.316 1.00 54.02 O ATOM 0 H SER A 28 -4.722 -5.257 -5.380 1.00 42.41 H new ATOM 0 HA SER A 28 -4.892 -3.537 -6.726 1.00 52.53 H new ATOM 0 HB2 SER A 28 -7.855 -4.034 -6.071 1.00 55.33 H new ATOM 0 HB3 SER A 28 -7.262 -3.327 -7.562 1.00 55.33 H new ATOM 0 HG SER A 28 -7.678 -5.596 -7.770 1.00 54.02 H new ATOM 443 N PRO A 29 -4.785 -1.408 -5.311 1.00 34.30 N ATOM 444 CA PRO A 29 -4.817 -0.018 -4.862 1.00 71.13 C ATOM 445 C PRO A 29 -5.404 0.871 -5.958 1.00 45.20 C ATOM 446 O PRO A 29 -5.548 0.475 -7.120 1.00 22.31 O ATOM 447 CB PRO A 29 -3.367 0.339 -4.537 1.00 11.25 C ATOM 448 CG PRO A 29 -2.567 -0.590 -5.449 1.00 33.41 C ATOM 449 CD PRO A 29 -3.411 -1.861 -5.481 1.00 15.31 C ATOM 0 HA PRO A 29 -5.450 0.129 -3.987 1.00 71.13 H new ATOM 0 HB2 PRO A 29 -3.154 1.388 -4.744 1.00 11.25 H new ATOM 0 HB3 PRO A 29 -3.136 0.168 -3.486 1.00 11.25 H new ATOM 0 HG2 PRO A 29 -2.441 -0.166 -6.445 1.00 33.41 H new ATOM 0 HG3 PRO A 29 -1.569 -0.780 -5.055 1.00 33.41 H new ATOM 0 HD2 PRO A 29 -3.285 -2.394 -6.423 1.00 15.31 H new ATOM 0 HD3 PRO A 29 -3.121 -2.547 -4.685 1.00 15.31 H new ATOM 457 N ASP A 30 -5.795 2.082 -5.589 1.00 34.03 N ATOM 458 CA ASP A 30 -6.368 3.061 -6.494 1.00 12.24 C ATOM 459 C ASP A 30 -5.253 3.902 -7.081 1.00 13.23 C ATOM 460 O ASP A 30 -5.250 4.166 -8.283 1.00 63.24 O ATOM 461 CB ASP A 30 -7.366 3.969 -5.775 1.00 3.13 C ATOM 462 CG ASP A 30 -8.039 4.866 -6.804 1.00 11.21 C ATOM 463 OD1 ASP A 30 -8.599 4.315 -7.781 1.00 2.13 O ATOM 464 OD2 ASP A 30 -7.967 6.103 -6.649 1.00 71.11 O ATOM 0 H ASP A 30 -5.720 2.417 -4.628 1.00 34.03 H new ATOM 0 HA ASP A 30 -6.902 2.531 -7.283 1.00 12.24 H new ATOM 0 HB2 ASP A 30 -8.111 3.371 -5.250 1.00 3.13 H new ATOM 0 HB3 ASP A 30 -6.855 4.572 -5.024 1.00 3.13 H new ATOM 469 N GLN A 31 -4.279 4.275 -6.250 1.00 22.23 N ATOM 470 CA GLN A 31 -3.140 5.079 -6.664 1.00 20.20 C ATOM 471 C GLN A 31 -1.893 4.632 -5.907 1.00 1.35 C ATOM 472 O GLN A 31 -1.998 4.074 -4.815 1.00 70.22 O ATOM 473 CB GLN A 31 -3.479 6.562 -6.477 1.00 61.41 C ATOM 474 CG GLN A 31 -2.386 7.521 -6.959 1.00 25.52 C ATOM 475 CD GLN A 31 -2.965 8.739 -7.660 1.00 5.34 C ATOM 476 OE1 GLN A 31 -3.049 8.766 -8.888 1.00 35.22 O ATOM 477 NE2 GLN A 31 -3.360 9.758 -6.926 1.00 40.10 N ATOM 0 H GLN A 31 -4.263 4.022 -5.262 1.00 22.23 H new ATOM 0 HA GLN A 31 -2.921 4.936 -7.722 1.00 20.20 H new ATOM 0 HB2 GLN A 31 -4.402 6.783 -7.013 1.00 61.41 H new ATOM 0 HB3 GLN A 31 -3.671 6.749 -5.420 1.00 61.41 H new ATOM 0 HG2 GLN A 31 -1.786 7.844 -6.108 1.00 25.52 H new ATOM 0 HG3 GLN A 31 -1.717 6.995 -7.640 1.00 25.52 H new ATOM 0 HE21 GLN A 31 -3.282 9.715 -5.910 1.00 40.10 H new ATOM 0 HE22 GLN A 31 -3.744 10.590 -7.373 1.00 40.10 H new ATOM 486 N ILE A 32 -0.721 4.892 -6.492 1.00 23.32 N ATOM 487 CA ILE A 32 0.602 4.540 -5.999 1.00 25.23 C ATOM 488 C ILE A 32 1.541 5.743 -6.187 1.00 62.12 C ATOM 489 O ILE A 32 1.674 6.250 -7.306 1.00 2.50 O ATOM 490 CB ILE A 32 1.067 3.287 -6.792 1.00 5.22 C ATOM 491 CG1 ILE A 32 0.171 2.069 -6.462 1.00 51.05 C ATOM 492 CG2 ILE A 32 2.536 2.901 -6.546 1.00 2.52 C ATOM 493 CD1 ILE A 32 0.387 0.898 -7.414 1.00 24.13 C ATOM 0 H ILE A 32 -0.674 5.388 -7.382 1.00 23.32 H new ATOM 0 HA ILE A 32 0.601 4.301 -4.935 1.00 25.23 H new ATOM 0 HB ILE A 32 0.976 3.562 -7.843 1.00 5.22 H new ATOM 0 HG12 ILE A 32 0.372 1.743 -5.441 1.00 51.05 H new ATOM 0 HG13 ILE A 32 -0.875 2.373 -6.500 1.00 51.05 H new ATOM 0 HG21 ILE A 32 2.784 2.018 -7.135 1.00 2.52 H new ATOM 0 HG22 ILE A 32 3.183 3.727 -6.841 1.00 2.52 H new ATOM 0 HG23 ILE A 32 2.683 2.685 -5.488 1.00 2.52 H new ATOM 0 HD11 ILE A 32 -0.269 0.074 -7.132 1.00 24.13 H new ATOM 0 HD12 ILE A 32 0.159 1.211 -8.433 1.00 24.13 H new ATOM 0 HD13 ILE A 32 1.425 0.571 -7.358 1.00 24.13 H new ATOM 505 N ARG A 33 2.177 6.219 -5.112 1.00 51.52 N ATOM 506 CA ARG A 33 3.118 7.336 -5.060 1.00 40.24 C ATOM 507 C ARG A 33 4.298 6.893 -4.202 1.00 72.22 C ATOM 508 O ARG A 33 4.157 6.838 -2.977 1.00 75.45 O ATOM 509 CB ARG A 33 2.437 8.588 -4.471 1.00 62.44 C ATOM 510 CG ARG A 33 2.155 9.636 -5.547 1.00 71.22 C ATOM 511 CD ARG A 33 1.035 9.245 -6.524 1.00 53.20 C ATOM 512 NE ARG A 33 0.153 10.385 -6.813 1.00 11.20 N ATOM 513 CZ ARG A 33 0.458 11.486 -7.507 1.00 54.13 C ATOM 514 NH1 ARG A 33 1.617 11.584 -8.150 1.00 44.10 N ATOM 515 NH2 ARG A 33 -0.394 12.506 -7.505 1.00 45.43 N ATOM 0 H ARG A 33 2.036 5.803 -4.192 1.00 51.52 H new ATOM 0 HA ARG A 33 3.461 7.603 -6.060 1.00 40.24 H new ATOM 0 HB2 ARG A 33 1.503 8.301 -3.988 1.00 62.44 H new ATOM 0 HB3 ARG A 33 3.074 9.020 -3.700 1.00 62.44 H new ATOM 0 HG2 ARG A 33 1.889 10.576 -5.063 1.00 71.22 H new ATOM 0 HG3 ARG A 33 3.069 9.816 -6.112 1.00 71.22 H new ATOM 0 HD2 ARG A 33 1.472 8.877 -7.452 1.00 53.20 H new ATOM 0 HD3 ARG A 33 0.450 8.428 -6.101 1.00 53.20 H new ATOM 0 HE ARG A 33 -0.796 10.330 -6.443 1.00 11.20 H new ATOM 0 HH11 ARG A 33 2.285 10.814 -8.117 1.00 44.10 H new ATOM 0 HH12 ARG A 33 1.838 12.429 -8.676 1.00 44.10 H new ATOM 0 HH21 ARG A 33 -1.266 12.441 -6.979 1.00 45.43 H new ATOM 0 HH22 ARG A 33 -0.176 13.353 -8.029 1.00 45.43 H new ATOM 529 N LEU A 34 5.436 6.579 -4.829 1.00 10.43 N ATOM 530 CA LEU A 34 6.643 6.125 -4.141 1.00 72.42 C ATOM 531 C LEU A 34 7.478 7.356 -3.801 1.00 42.55 C ATOM 532 O LEU A 34 7.835 8.141 -4.687 1.00 5.34 O ATOM 533 CB LEU A 34 7.365 5.058 -5.009 1.00 14.01 C ATOM 534 CG LEU A 34 8.648 4.400 -4.456 1.00 53.40 C ATOM 535 CD1 LEU A 34 9.871 5.242 -4.835 1.00 44.13 C ATOM 536 CD2 LEU A 34 8.577 4.184 -2.947 1.00 3.40 C ATOM 0 H LEU A 34 5.543 6.635 -5.842 1.00 10.43 H new ATOM 0 HA LEU A 34 6.425 5.622 -3.199 1.00 72.42 H new ATOM 0 HB2 LEU A 34 6.650 4.263 -5.219 1.00 14.01 H new ATOM 0 HB3 LEU A 34 7.616 5.522 -5.963 1.00 14.01 H new ATOM 0 HG LEU A 34 8.742 3.413 -4.910 1.00 53.40 H new ATOM 0 HD11 LEU A 34 10.772 4.772 -4.442 1.00 44.13 H new ATOM 0 HD12 LEU A 34 9.942 5.312 -5.920 1.00 44.13 H new ATOM 0 HD13 LEU A 34 9.769 6.242 -4.413 1.00 44.13 H new ATOM 0 HD21 LEU A 34 9.501 3.719 -2.602 1.00 3.40 H new ATOM 0 HD22 LEU A 34 8.446 5.144 -2.448 1.00 3.40 H new ATOM 0 HD23 LEU A 34 7.734 3.534 -2.712 1.00 3.40 H new ATOM 548 N ARG A 35 7.774 7.569 -2.517 1.00 24.21 N ATOM 549 CA ARG A 35 8.554 8.689 -2.005 1.00 74.10 C ATOM 550 C ARG A 35 9.814 8.099 -1.367 1.00 54.24 C ATOM 551 O ARG A 35 9.960 8.035 -0.142 1.00 33.02 O ATOM 552 CB ARG A 35 7.667 9.542 -1.070 1.00 63.43 C ATOM 553 CG ARG A 35 6.491 10.228 -1.801 1.00 72.54 C ATOM 554 CD ARG A 35 6.922 11.482 -2.576 1.00 74.42 C ATOM 555 NE ARG A 35 5.974 11.849 -3.646 1.00 33.22 N ATOM 556 CZ ARG A 35 4.886 12.622 -3.542 1.00 51.53 C ATOM 557 NH1 ARG A 35 4.397 12.973 -2.364 1.00 63.53 N ATOM 558 NH2 ARG A 35 4.265 13.058 -4.629 1.00 12.35 N ATOM 0 H ARG A 35 7.462 6.938 -1.779 1.00 24.21 H new ATOM 0 HA ARG A 35 8.884 9.383 -2.778 1.00 74.10 H new ATOM 0 HB2 ARG A 35 7.272 8.907 -0.277 1.00 63.43 H new ATOM 0 HB3 ARG A 35 8.283 10.304 -0.592 1.00 63.43 H new ATOM 0 HG2 ARG A 35 6.035 9.519 -2.492 1.00 72.54 H new ATOM 0 HG3 ARG A 35 5.727 10.501 -1.074 1.00 72.54 H new ATOM 0 HD2 ARG A 35 7.020 12.317 -1.882 1.00 74.42 H new ATOM 0 HD3 ARG A 35 7.907 11.313 -3.012 1.00 74.42 H new ATOM 0 HE ARG A 35 6.171 11.470 -4.572 1.00 33.22 H new ATOM 0 HH11 ARG A 35 4.850 12.654 -1.508 1.00 63.53 H new ATOM 0 HH12 ARG A 35 3.567 13.563 -2.312 1.00 63.53 H new ATOM 0 HH21 ARG A 35 4.616 12.805 -5.553 1.00 12.35 H new ATOM 0 HH22 ARG A 35 3.437 13.647 -4.542 1.00 12.35 H new ATOM 572 N ALA A 36 10.746 7.672 -2.230 1.00 13.41 N ATOM 573 CA ALA A 36 12.028 7.071 -1.858 1.00 43.52 C ATOM 574 C ALA A 36 12.824 7.954 -0.897 1.00 23.21 C ATOM 575 O ALA A 36 13.571 7.433 -0.067 1.00 64.41 O ATOM 576 CB ALA A 36 12.872 6.833 -3.112 1.00 5.24 C ATOM 0 H ALA A 36 10.621 7.739 -3.240 1.00 13.41 H new ATOM 0 HA ALA A 36 11.806 6.130 -1.355 1.00 43.52 H new ATOM 0 HB1 ALA A 36 13.825 6.386 -2.830 1.00 5.24 H new ATOM 0 HB2 ALA A 36 12.341 6.161 -3.786 1.00 5.24 H new ATOM 0 HB3 ALA A 36 13.052 7.783 -3.615 1.00 5.24 H new ATOM 582 N ASP A 37 12.588 9.267 -0.956 1.00 33.11 N ATOM 583 CA ASP A 37 13.209 10.314 -0.151 1.00 12.13 C ATOM 584 C ASP A 37 13.147 10.038 1.356 1.00 25.14 C ATOM 585 O ASP A 37 13.984 10.524 2.118 1.00 11.31 O ATOM 586 CB ASP A 37 12.584 11.661 -0.535 1.00 3.03 C ATOM 587 CG ASP A 37 13.194 12.145 -1.848 1.00 3.23 C ATOM 588 OD1 ASP A 37 14.406 12.481 -1.825 1.00 5.44 O ATOM 589 OD2 ASP A 37 12.489 12.099 -2.884 1.00 54.20 O ATOM 0 H ASP A 37 11.910 9.650 -1.615 1.00 33.11 H new ATOM 0 HA ASP A 37 14.276 10.337 -0.372 1.00 12.13 H new ATOM 0 HB2 ASP A 37 11.504 11.557 -0.639 1.00 3.03 H new ATOM 0 HB3 ASP A 37 12.759 12.394 0.253 1.00 3.03 H new ATOM 594 N LYS A 38 12.161 9.260 1.804 1.00 11.42 N ATOM 595 CA LYS A 38 11.965 8.838 3.187 1.00 45.32 C ATOM 596 C LYS A 38 11.684 7.333 3.248 1.00 31.11 C ATOM 597 O LYS A 38 11.281 6.838 4.301 1.00 13.33 O ATOM 598 CB LYS A 38 10.870 9.694 3.831 1.00 21.31 C ATOM 599 CG LYS A 38 11.452 10.907 4.551 1.00 35.43 C ATOM 600 CD LYS A 38 12.130 10.534 5.886 1.00 14.53 C ATOM 601 CE LYS A 38 12.285 11.809 6.713 1.00 74.41 C ATOM 602 NZ LYS A 38 13.064 11.640 7.955 1.00 72.41 N ATOM 0 H LYS A 38 11.444 8.890 1.180 1.00 11.42 H new ATOM 0 HA LYS A 38 12.874 8.998 3.767 1.00 45.32 H new ATOM 0 HB2 LYS A 38 10.170 10.027 3.064 1.00 21.31 H new ATOM 0 HB3 LYS A 38 10.303 9.088 4.538 1.00 21.31 H new ATOM 0 HG2 LYS A 38 12.179 11.396 3.902 1.00 35.43 H new ATOM 0 HG3 LYS A 38 10.657 11.629 4.740 1.00 35.43 H new ATOM 0 HD2 LYS A 38 11.530 9.801 6.426 1.00 14.53 H new ATOM 0 HD3 LYS A 38 13.103 10.078 5.704 1.00 14.53 H new ATOM 0 HE2 LYS A 38 12.765 12.570 6.098 1.00 74.41 H new ATOM 0 HE3 LYS A 38 11.294 12.184 6.968 1.00 74.41 H new ATOM 0 HZ1 LYS A 38 13.121 12.550 8.455 1.00 72.41 H new ATOM 0 HZ2 LYS A 38 12.597 10.938 8.565 1.00 72.41 H new ATOM 0 HZ3 LYS A 38 14.023 11.312 7.721 1.00 72.41 H new ATOM 616 N GLY A 39 11.865 6.614 2.135 1.00 25.33 N ATOM 617 CA GLY A 39 11.632 5.183 2.018 1.00 32.41 C ATOM 618 C GLY A 39 10.186 4.862 2.358 1.00 2.31 C ATOM 619 O GLY A 39 9.947 3.904 3.083 1.00 42.54 O ATOM 0 H GLY A 39 12.189 7.034 1.264 1.00 25.33 H new ATOM 0 HA2 GLY A 39 11.858 4.851 1.005 1.00 32.41 H new ATOM 0 HA3 GLY A 39 12.300 4.641 2.687 1.00 32.41 H new ATOM 623 N ILE A 40 9.235 5.648 1.854 1.00 14.10 N ATOM 624 CA ILE A 40 7.806 5.497 2.100 1.00 43.32 C ATOM 625 C ILE A 40 7.018 5.580 0.803 1.00 72.42 C ATOM 626 O ILE A 40 7.553 5.945 -0.245 1.00 44.15 O ATOM 627 CB ILE A 40 7.307 6.580 3.091 1.00 20.55 C ATOM 628 CG1 ILE A 40 7.935 7.935 2.748 1.00 72.32 C ATOM 629 CG2 ILE A 40 7.600 6.214 4.552 1.00 31.41 C ATOM 630 CD1 ILE A 40 7.242 9.163 3.339 1.00 12.24 C ATOM 0 H ILE A 40 9.449 6.435 1.241 1.00 14.10 H new ATOM 0 HA ILE A 40 7.645 4.513 2.540 1.00 43.32 H new ATOM 0 HB ILE A 40 6.224 6.642 2.986 1.00 20.55 H new ATOM 0 HG12 ILE A 40 8.971 7.929 3.086 1.00 72.32 H new ATOM 0 HG13 ILE A 40 7.954 8.040 1.663 1.00 72.32 H new ATOM 0 HG21 ILE A 40 7.231 7.004 5.206 1.00 31.41 H new ATOM 0 HG22 ILE A 40 7.102 5.276 4.799 1.00 31.41 H new ATOM 0 HG23 ILE A 40 8.675 6.101 4.690 1.00 31.41 H new ATOM 0 HD11 ILE A 40 7.772 10.064 3.030 1.00 12.24 H new ATOM 0 HD12 ILE A 40 6.213 9.207 2.982 1.00 12.24 H new ATOM 0 HD13 ILE A 40 7.246 9.095 4.427 1.00 12.24 H new ATOM 642 N ALA A 41 5.737 5.245 0.891 1.00 50.32 N ATOM 643 CA ALA A 41 4.777 5.252 -0.187 1.00 21.33 C ATOM 644 C ALA A 41 3.398 5.592 0.382 1.00 12.20 C ATOM 645 O ALA A 41 3.191 5.556 1.599 1.00 62.02 O ATOM 646 CB ALA A 41 4.779 3.868 -0.832 1.00 3.51 C ATOM 0 H ALA A 41 5.323 4.944 1.773 1.00 50.32 H new ATOM 0 HA ALA A 41 5.031 5.998 -0.940 1.00 21.33 H new ATOM 0 HB1 ALA A 41 4.060 3.847 -1.651 1.00 3.51 H new ATOM 0 HB2 ALA A 41 5.775 3.647 -1.217 1.00 3.51 H new ATOM 0 HB3 ALA A 41 4.504 3.120 -0.089 1.00 3.51 H new ATOM 652 N PHE A 42 2.459 5.922 -0.500 1.00 73.35 N ATOM 653 CA PHE A 42 1.081 6.269 -0.172 1.00 11.55 C ATOM 654 C PHE A 42 0.200 5.525 -1.158 1.00 12.53 C ATOM 655 O PHE A 42 0.341 5.731 -2.367 1.00 74.23 O ATOM 656 CB PHE A 42 0.841 7.779 -0.318 1.00 54.31 C ATOM 657 CG PHE A 42 1.601 8.668 0.642 1.00 14.34 C ATOM 658 CD1 PHE A 42 2.882 9.143 0.303 1.00 51.54 C ATOM 659 CD2 PHE A 42 1.006 9.063 1.855 1.00 13.02 C ATOM 660 CE1 PHE A 42 3.556 10.024 1.166 1.00 12.42 C ATOM 661 CE2 PHE A 42 1.678 9.954 2.709 1.00 62.11 C ATOM 662 CZ PHE A 42 2.947 10.446 2.361 1.00 50.15 C ATOM 0 H PHE A 42 2.645 5.956 -1.502 1.00 73.35 H new ATOM 0 HA PHE A 42 0.860 5.998 0.860 1.00 11.55 H new ATOM 0 HB2 PHE A 42 1.101 8.071 -1.335 1.00 54.31 H new ATOM 0 HB3 PHE A 42 -0.225 7.971 -0.193 1.00 54.31 H new ATOM 0 HD1 PHE A 42 3.347 8.830 -0.620 1.00 51.54 H new ATOM 0 HD2 PHE A 42 0.034 8.681 2.129 1.00 13.02 H new ATOM 0 HE1 PHE A 42 4.544 10.378 0.911 1.00 12.42 H new ATOM 0 HE2 PHE A 42 1.217 10.262 3.636 1.00 62.11 H new ATOM 0 HZ PHE A 42 3.453 11.146 3.009 1.00 50.15 H new ATOM 672 N LEU A 43 -0.639 4.615 -0.674 1.00 73.23 N ATOM 673 CA LEU A 43 -1.539 3.835 -1.513 1.00 12.44 C ATOM 674 C LEU A 43 -2.949 4.258 -1.153 1.00 54.54 C ATOM 675 O LEU A 43 -3.339 4.132 0.006 1.00 1.12 O ATOM 676 CB LEU A 43 -1.368 2.327 -1.287 1.00 1.24 C ATOM 677 CG LEU A 43 -0.074 1.759 -1.886 1.00 32.20 C ATOM 678 CD1 LEU A 43 1.096 1.813 -0.899 1.00 31.42 C ATOM 679 CD2 LEU A 43 -0.253 0.312 -2.323 1.00 22.03 C ATOM 0 H LEU A 43 -0.713 4.397 0.320 1.00 73.23 H new ATOM 0 HA LEU A 43 -1.319 4.019 -2.565 1.00 12.44 H new ATOM 0 HB2 LEU A 43 -1.382 2.125 -0.216 1.00 1.24 H new ATOM 0 HB3 LEU A 43 -2.220 1.804 -1.722 1.00 1.24 H new ATOM 0 HG LEU A 43 0.153 2.387 -2.747 1.00 32.20 H new ATOM 0 HD11 LEU A 43 1.988 1.400 -1.369 1.00 31.42 H new ATOM 0 HD12 LEU A 43 1.283 2.848 -0.612 1.00 31.42 H new ATOM 0 HD13 LEU A 43 0.851 1.230 -0.012 1.00 31.42 H new ATOM 0 HD21 LEU A 43 0.682 -0.060 -2.743 1.00 22.03 H new ATOM 0 HD22 LEU A 43 -0.532 -0.296 -1.462 1.00 22.03 H new ATOM 0 HD23 LEU A 43 -1.038 0.254 -3.077 1.00 22.03 H new ATOM 691 N GLU A 44 -3.655 4.859 -2.103 1.00 11.33 N ATOM 692 CA GLU A 44 -5.029 5.314 -1.932 1.00 34.10 C ATOM 693 C GLU A 44 -5.940 4.143 -2.302 1.00 32.21 C ATOM 694 O GLU A 44 -5.558 3.326 -3.143 1.00 52.41 O ATOM 695 CB GLU A 44 -5.296 6.472 -2.907 1.00 63.21 C ATOM 696 CG GLU A 44 -4.506 7.761 -2.615 1.00 32.52 C ATOM 697 CD GLU A 44 -4.390 8.664 -3.849 1.00 65.14 C ATOM 698 OE1 GLU A 44 -5.398 8.906 -4.548 1.00 11.10 O ATOM 699 OE2 GLU A 44 -3.270 9.128 -4.164 1.00 12.40 O ATOM 0 H GLU A 44 -3.280 5.047 -3.033 1.00 11.33 H new ATOM 0 HA GLU A 44 -5.207 5.648 -0.910 1.00 34.10 H new ATOM 0 HB2 GLU A 44 -5.059 6.139 -3.917 1.00 63.21 H new ATOM 0 HB3 GLU A 44 -6.361 6.704 -2.890 1.00 63.21 H new ATOM 0 HG2 GLU A 44 -4.995 8.310 -1.810 1.00 32.52 H new ATOM 0 HG3 GLU A 44 -3.508 7.501 -2.263 1.00 32.52 H new ATOM 706 N PHE A 45 -7.146 4.081 -1.739 1.00 21.40 N ATOM 707 CA PHE A 45 -8.141 3.047 -1.990 1.00 74.00 C ATOM 708 C PHE A 45 -9.522 3.718 -1.914 1.00 11.10 C ATOM 709 O PHE A 45 -9.780 4.515 -1.005 1.00 53.14 O ATOM 710 CB PHE A 45 -8.002 1.916 -0.965 1.00 1.24 C ATOM 711 CG PHE A 45 -6.746 1.057 -1.053 1.00 32.15 C ATOM 712 CD1 PHE A 45 -5.535 1.479 -0.467 1.00 31.15 C ATOM 713 CD2 PHE A 45 -6.826 -0.241 -1.594 1.00 32.43 C ATOM 714 CE1 PHE A 45 -4.428 0.610 -0.416 1.00 62.51 C ATOM 715 CE2 PHE A 45 -5.733 -1.120 -1.498 1.00 51.34 C ATOM 716 CZ PHE A 45 -4.526 -0.699 -0.922 1.00 12.25 C ATOM 0 H PHE A 45 -7.467 4.780 -1.069 1.00 21.40 H new ATOM 0 HA PHE A 45 -8.003 2.596 -2.973 1.00 74.00 H new ATOM 0 HB2 PHE A 45 -8.044 2.355 0.032 1.00 1.24 H new ATOM 0 HB3 PHE A 45 -8.868 1.262 -1.062 1.00 1.24 H new ATOM 0 HD1 PHE A 45 -5.456 2.474 -0.055 1.00 31.15 H new ATOM 0 HD2 PHE A 45 -7.732 -0.563 -2.085 1.00 32.43 H new ATOM 0 HE1 PHE A 45 -3.498 0.951 0.014 1.00 62.51 H new ATOM 0 HE2 PHE A 45 -5.824 -2.129 -1.872 1.00 51.34 H new ATOM 0 HZ PHE A 45 -3.682 -1.371 -0.867 1.00 12.25 H new ATOM 726 N ASP A 46 -10.391 3.441 -2.890 1.00 51.14 N ATOM 727 CA ASP A 46 -11.742 3.999 -2.998 1.00 14.33 C ATOM 728 C ASP A 46 -12.816 3.008 -2.543 1.00 24.14 C ATOM 729 O ASP A 46 -13.077 2.003 -3.211 1.00 11.20 O ATOM 730 CB ASP A 46 -12.008 4.480 -4.432 1.00 44.31 C ATOM 731 CG ASP A 46 -13.435 5.011 -4.629 1.00 62.12 C ATOM 732 OD1 ASP A 46 -14.149 5.237 -3.628 1.00 4.01 O ATOM 733 OD2 ASP A 46 -13.834 5.208 -5.801 1.00 42.42 O ATOM 0 H ASP A 46 -10.166 2.801 -3.652 1.00 51.14 H new ATOM 0 HA ASP A 46 -11.798 4.854 -2.325 1.00 14.33 H new ATOM 0 HB2 ASP A 46 -11.295 5.265 -4.684 1.00 44.31 H new ATOM 0 HB3 ASP A 46 -11.833 3.656 -5.124 1.00 44.31 H new ATOM 738 N ALA A 47 -13.422 3.272 -1.384 1.00 63.21 N ATOM 739 CA ALA A 47 -14.476 2.463 -0.787 1.00 51.04 C ATOM 740 C ALA A 47 -15.768 2.508 -1.599 1.00 23.24 C ATOM 741 O ALA A 47 -16.617 1.626 -1.454 1.00 1.44 O ATOM 742 CB ALA A 47 -14.754 2.959 0.632 1.00 53.22 C ATOM 0 H ALA A 47 -13.181 4.085 -0.818 1.00 63.21 H new ATOM 0 HA ALA A 47 -14.130 1.430 -0.772 1.00 51.04 H new ATOM 0 HB1 ALA A 47 -15.543 2.355 1.081 1.00 53.22 H new ATOM 0 HB2 ALA A 47 -13.847 2.875 1.231 1.00 53.22 H new ATOM 0 HB3 ALA A 47 -15.071 4.001 0.598 1.00 53.22 H new ATOM 748 N ASP A 48 -15.970 3.553 -2.398 1.00 51.43 N ATOM 749 CA ASP A 48 -17.153 3.695 -3.235 1.00 43.21 C ATOM 750 C ASP A 48 -17.029 2.758 -4.435 1.00 64.31 C ATOM 751 O ASP A 48 -18.036 2.353 -5.016 1.00 31.42 O ATOM 752 CB ASP A 48 -17.316 5.150 -3.701 1.00 14.45 C ATOM 753 CG ASP A 48 -18.776 5.460 -4.009 1.00 1.31 C ATOM 754 OD1 ASP A 48 -19.554 5.568 -3.029 1.00 2.10 O ATOM 755 OD2 ASP A 48 -19.153 5.614 -5.196 1.00 2.34 O ATOM 0 H ASP A 48 -15.312 4.328 -2.482 1.00 51.43 H new ATOM 0 HA ASP A 48 -18.038 3.430 -2.657 1.00 43.21 H new ATOM 0 HB2 ASP A 48 -16.951 5.827 -2.929 1.00 14.45 H new ATOM 0 HB3 ASP A 48 -16.708 5.322 -4.589 1.00 14.45 H new ATOM 760 N LYS A 49 -15.799 2.405 -4.833 1.00 34.02 N ATOM 761 CA LYS A 49 -15.532 1.515 -5.952 1.00 5.00 C ATOM 762 C LYS A 49 -16.026 0.105 -5.640 1.00 34.30 C ATOM 763 O LYS A 49 -16.513 -0.559 -6.558 1.00 74.14 O ATOM 764 CB LYS A 49 -14.025 1.529 -6.267 1.00 20.02 C ATOM 765 CG LYS A 49 -13.747 1.313 -7.758 1.00 40.20 C ATOM 766 CD LYS A 49 -12.238 1.353 -8.054 1.00 20.15 C ATOM 767 CE LYS A 49 -11.932 1.207 -9.552 1.00 61.31 C ATOM 768 NZ LYS A 49 -12.098 2.468 -10.306 1.00 4.44 N ATOM 0 H LYS A 49 -14.953 2.740 -4.373 1.00 34.02 H new ATOM 0 HA LYS A 49 -16.072 1.862 -6.833 1.00 5.00 H new ATOM 0 HB2 LYS A 49 -13.598 2.482 -5.953 1.00 20.02 H new ATOM 0 HB3 LYS A 49 -13.527 0.751 -5.689 1.00 20.02 H new ATOM 0 HG2 LYS A 49 -14.156 0.353 -8.072 1.00 40.20 H new ATOM 0 HG3 LYS A 49 -14.255 2.082 -8.340 1.00 40.20 H new ATOM 0 HD2 LYS A 49 -11.824 2.294 -7.691 1.00 20.15 H new ATOM 0 HD3 LYS A 49 -11.741 0.553 -7.505 1.00 20.15 H new ATOM 0 HE2 LYS A 49 -10.909 0.850 -9.674 1.00 61.31 H new ATOM 0 HE3 LYS A 49 -12.588 0.448 -9.978 1.00 61.31 H new ATOM 0 HZ1 LYS A 49 -11.877 2.304 -11.309 1.00 4.44 H new ATOM 0 HZ2 LYS A 49 -13.080 2.799 -10.217 1.00 4.44 H new ATOM 0 HZ3 LYS A 49 -11.454 3.189 -9.923 1.00 4.44 H new ATOM 782 N ASP A 50 -15.949 -0.344 -4.382 1.00 44.33 N ATOM 783 CA ASP A 50 -16.394 -1.673 -3.971 1.00 12.01 C ATOM 784 C ASP A 50 -16.724 -1.711 -2.472 1.00 3.42 C ATOM 785 O ASP A 50 -15.871 -2.023 -1.640 1.00 42.10 O ATOM 786 CB ASP A 50 -15.324 -2.713 -4.328 1.00 54.32 C ATOM 787 CG ASP A 50 -15.782 -4.146 -4.067 1.00 50.54 C ATOM 788 OD1 ASP A 50 -16.848 -4.377 -3.454 1.00 74.15 O ATOM 789 OD2 ASP A 50 -15.020 -5.058 -4.464 1.00 73.45 O ATOM 0 H ASP A 50 -15.572 0.214 -3.616 1.00 44.33 H new ATOM 0 HA ASP A 50 -17.311 -1.914 -4.509 1.00 12.01 H new ATOM 0 HB2 ASP A 50 -15.058 -2.607 -5.380 1.00 54.32 H new ATOM 0 HB3 ASP A 50 -14.422 -2.513 -3.749 1.00 54.32 H new ATOM 794 N ARG A 51 -17.987 -1.448 -2.128 1.00 43.24 N ATOM 795 CA ARG A 51 -18.531 -1.418 -0.763 1.00 73.14 C ATOM 796 C ARG A 51 -18.186 -2.614 0.114 1.00 35.32 C ATOM 797 O ARG A 51 -18.058 -2.455 1.330 1.00 64.23 O ATOM 798 CB ARG A 51 -20.054 -1.380 -0.861 1.00 73.43 C ATOM 799 CG ARG A 51 -20.741 -0.858 0.408 1.00 64.42 C ATOM 800 CD ARG A 51 -22.235 -0.908 0.128 1.00 64.11 C ATOM 801 NE ARG A 51 -23.059 -0.272 1.171 1.00 24.15 N ATOM 802 CZ ARG A 51 -24.326 -0.594 1.449 1.00 75.12 C ATOM 803 NH1 ARG A 51 -24.819 -1.745 1.004 1.00 1.23 N ATOM 804 NH2 ARG A 51 -25.114 0.226 2.135 1.00 44.35 N ATOM 0 H ARG A 51 -18.697 -1.239 -2.829 1.00 43.24 H new ATOM 0 HA ARG A 51 -18.081 -0.542 -0.295 1.00 73.14 H new ATOM 0 HB2 ARG A 51 -20.339 -0.750 -1.703 1.00 73.43 H new ATOM 0 HB3 ARG A 51 -20.421 -2.384 -1.075 1.00 73.43 H new ATOM 0 HG2 ARG A 51 -20.485 -1.473 1.271 1.00 64.42 H new ATOM 0 HG3 ARG A 51 -20.421 0.159 0.635 1.00 64.42 H new ATOM 0 HD2 ARG A 51 -22.433 -0.419 -0.826 1.00 64.11 H new ATOM 0 HD3 ARG A 51 -22.540 -1.949 0.022 1.00 64.11 H new ATOM 0 HE ARG A 51 -22.630 0.471 1.723 1.00 24.15 H new ATOM 0 HH11 ARG A 51 -24.232 -2.373 0.456 1.00 1.23 H new ATOM 0 HH12 ARG A 51 -25.785 -2.000 1.211 1.00 1.23 H new ATOM 0 HH21 ARG A 51 -24.755 1.123 2.462 1.00 44.35 H new ATOM 0 HH22 ARG A 51 -26.078 -0.042 2.335 1.00 44.35 H new ATOM 818 N THR A 52 -18.081 -3.814 -0.460 1.00 11.44 N ATOM 819 CA THR A 52 -17.788 -5.010 0.314 1.00 75.44 C ATOM 820 C THR A 52 -16.371 -5.544 0.092 1.00 52.34 C ATOM 821 O THR A 52 -15.869 -6.316 0.919 1.00 40.21 O ATOM 822 CB THR A 52 -18.943 -6.008 0.141 1.00 75.45 C ATOM 823 OG1 THR A 52 -19.124 -6.826 1.286 1.00 41.15 O ATOM 824 CG2 THR A 52 -18.754 -6.908 -1.070 1.00 20.31 C ATOM 0 H THR A 52 -18.196 -3.978 -1.460 1.00 11.44 H new ATOM 0 HA THR A 52 -17.751 -4.773 1.377 1.00 75.44 H new ATOM 0 HB THR A 52 -19.831 -5.393 -0.005 1.00 75.45 H new ATOM 0 HG1 THR A 52 -19.869 -7.444 1.132 1.00 41.15 H new ATOM 0 HG21 THR A 52 -19.597 -7.595 -1.148 1.00 20.31 H new ATOM 0 HG22 THR A 52 -18.698 -6.298 -1.972 1.00 20.31 H new ATOM 0 HG23 THR A 52 -17.831 -7.477 -0.960 1.00 20.31 H new ATOM 832 N GLY A 53 -15.692 -5.117 -0.972 1.00 23.33 N ATOM 833 CA GLY A 53 -14.345 -5.563 -1.274 1.00 74.11 C ATOM 834 C GLY A 53 -13.283 -4.610 -0.774 1.00 61.04 C ATOM 835 O GLY A 53 -12.149 -5.048 -0.626 1.00 2.43 O ATOM 0 H GLY A 53 -16.067 -4.450 -1.647 1.00 23.33 H new ATOM 0 HA2 GLY A 53 -14.184 -6.544 -0.828 1.00 74.11 H new ATOM 0 HA3 GLY A 53 -14.240 -5.682 -2.352 1.00 74.11 H new ATOM 839 N ILE A 54 -13.599 -3.347 -0.481 1.00 1.14 N ATOM 840 CA ILE A 54 -12.625 -2.386 0.043 1.00 42.12 C ATOM 841 C ILE A 54 -11.998 -2.965 1.322 1.00 32.53 C ATOM 842 O ILE A 54 -10.806 -2.824 1.587 1.00 32.30 O ATOM 843 CB ILE A 54 -13.333 -1.040 0.295 1.00 31.20 C ATOM 844 CG1 ILE A 54 -12.340 0.039 0.764 1.00 14.12 C ATOM 845 CG2 ILE A 54 -14.487 -1.151 1.314 1.00 64.43 C ATOM 846 CD1 ILE A 54 -11.404 0.513 -0.344 1.00 3.51 C ATOM 0 H ILE A 54 -14.536 -2.961 -0.600 1.00 1.14 H new ATOM 0 HA ILE A 54 -11.822 -2.207 -0.672 1.00 42.12 H new ATOM 0 HB ILE A 54 -13.760 -0.748 -0.664 1.00 31.20 H new ATOM 0 HG12 ILE A 54 -12.896 0.893 1.151 1.00 14.12 H new ATOM 0 HG13 ILE A 54 -11.747 -0.356 1.589 1.00 14.12 H new ATOM 0 HG21 ILE A 54 -14.947 -0.172 1.451 1.00 64.43 H new ATOM 0 HG22 ILE A 54 -15.233 -1.854 0.944 1.00 64.43 H new ATOM 0 HG23 ILE A 54 -14.097 -1.505 2.268 1.00 64.43 H new ATOM 0 HD11 ILE A 54 -10.729 1.273 0.050 1.00 3.51 H new ATOM 0 HD12 ILE A 54 -10.823 -0.331 -0.715 1.00 3.51 H new ATOM 0 HD13 ILE A 54 -11.990 0.936 -1.159 1.00 3.51 H new ATOM 858 N GLN A 55 -12.821 -3.683 2.087 1.00 23.10 N ATOM 859 CA GLN A 55 -12.480 -4.348 3.318 1.00 2.02 C ATOM 860 C GLN A 55 -11.420 -5.414 3.011 1.00 10.44 C ATOM 861 O GLN A 55 -10.308 -5.330 3.513 1.00 21.32 O ATOM 862 CB GLN A 55 -13.795 -4.888 3.897 1.00 32.23 C ATOM 863 CG GLN A 55 -13.627 -5.733 5.155 1.00 53.52 C ATOM 864 CD GLN A 55 -12.757 -5.035 6.187 1.00 32.21 C ATOM 865 OE1 GLN A 55 -13.220 -4.170 6.925 1.00 63.21 O ATOM 866 NE2 GLN A 55 -11.477 -5.350 6.208 1.00 11.55 N ATOM 0 H GLN A 55 -13.801 -3.816 1.837 1.00 23.10 H new ATOM 0 HA GLN A 55 -12.033 -3.699 4.071 1.00 2.02 H new ATOM 0 HB2 GLN A 55 -14.451 -4.047 4.123 1.00 32.23 H new ATOM 0 HB3 GLN A 55 -14.295 -5.487 3.136 1.00 32.23 H new ATOM 0 HG2 GLN A 55 -14.606 -5.943 5.586 1.00 53.52 H new ATOM 0 HG3 GLN A 55 -13.182 -6.693 4.892 1.00 53.52 H new ATOM 0 HE21 GLN A 55 -11.119 -6.073 5.584 1.00 11.55 H new ATOM 0 HE22 GLN A 55 -10.844 -4.871 6.849 1.00 11.55 H new ATOM 875 N ARG A 56 -11.736 -6.397 2.163 1.00 0.50 N ATOM 876 CA ARG A 56 -10.812 -7.469 1.760 1.00 41.41 C ATOM 877 C ARG A 56 -9.517 -6.874 1.205 1.00 5.35 C ATOM 878 O ARG A 56 -8.436 -7.400 1.462 1.00 44.34 O ATOM 879 CB ARG A 56 -11.453 -8.394 0.706 1.00 41.12 C ATOM 880 CG ARG A 56 -12.774 -9.054 1.128 1.00 0.14 C ATOM 881 CD ARG A 56 -12.612 -10.037 2.286 1.00 50.54 C ATOM 882 NE ARG A 56 -13.922 -10.443 2.817 1.00 71.42 N ATOM 883 CZ ARG A 56 -14.476 -10.039 3.966 1.00 23.23 C ATOM 884 NH1 ARG A 56 -13.831 -9.210 4.784 1.00 64.21 N ATOM 885 NH2 ARG A 56 -15.683 -10.470 4.307 1.00 70.04 N ATOM 0 H ARG A 56 -12.655 -6.474 1.728 1.00 0.50 H new ATOM 0 HA ARG A 56 -10.586 -8.063 2.646 1.00 41.41 H new ATOM 0 HB2 ARG A 56 -11.628 -7.816 -0.202 1.00 41.12 H new ATOM 0 HB3 ARG A 56 -10.739 -9.178 0.452 1.00 41.12 H new ATOM 0 HG2 ARG A 56 -13.485 -8.279 1.415 1.00 0.14 H new ATOM 0 HG3 ARG A 56 -13.201 -9.577 0.272 1.00 0.14 H new ATOM 0 HD2 ARG A 56 -12.064 -10.916 1.948 1.00 50.54 H new ATOM 0 HD3 ARG A 56 -12.021 -9.578 3.078 1.00 50.54 H new ATOM 0 HE ARG A 56 -14.463 -11.098 2.253 1.00 71.42 H new ATOM 0 HH11 ARG A 56 -12.900 -8.873 4.539 1.00 64.21 H new ATOM 0 HH12 ARG A 56 -14.268 -8.912 5.656 1.00 64.21 H new ATOM 0 HH21 ARG A 56 -16.188 -11.109 3.693 1.00 70.04 H new ATOM 0 HH22 ARG A 56 -16.106 -10.162 5.183 1.00 70.04 H new ATOM 899 N ARG A 57 -9.607 -5.784 0.441 1.00 31.35 N ATOM 900 CA ARG A 57 -8.442 -5.116 -0.118 1.00 52.43 C ATOM 901 C ARG A 57 -7.586 -4.597 1.041 1.00 12.02 C ATOM 902 O ARG A 57 -6.381 -4.849 1.047 1.00 74.01 O ATOM 903 CB ARG A 57 -8.889 -3.993 -1.064 1.00 35.21 C ATOM 904 CG ARG A 57 -9.471 -4.478 -2.401 1.00 35.51 C ATOM 905 CD ARG A 57 -9.933 -3.249 -3.202 1.00 73.51 C ATOM 906 NE ARG A 57 -10.373 -3.570 -4.572 1.00 10.32 N ATOM 907 CZ ARG A 57 -11.543 -4.122 -4.913 1.00 61.21 C ATOM 908 NH1 ARG A 57 -12.332 -4.647 -3.983 1.00 1.11 N ATOM 909 NH2 ARG A 57 -11.917 -4.168 -6.186 1.00 0.42 N ATOM 0 H ARG A 57 -10.493 -5.343 0.195 1.00 31.35 H new ATOM 0 HA ARG A 57 -7.840 -5.806 -0.710 1.00 52.43 H new ATOM 0 HB2 ARG A 57 -9.637 -3.384 -0.556 1.00 35.21 H new ATOM 0 HB3 ARG A 57 -8.036 -3.346 -1.267 1.00 35.21 H new ATOM 0 HG2 ARG A 57 -8.721 -5.036 -2.961 1.00 35.51 H new ATOM 0 HG3 ARG A 57 -10.308 -5.154 -2.228 1.00 35.51 H new ATOM 0 HD2 ARG A 57 -10.752 -2.766 -2.670 1.00 73.51 H new ATOM 0 HD3 ARG A 57 -9.116 -2.529 -3.251 1.00 73.51 H new ATOM 0 HE ARG A 57 -9.726 -3.351 -5.329 1.00 10.32 H new ATOM 0 HH11 ARG A 57 -12.047 -4.631 -3.004 1.00 1.11 H new ATOM 0 HH12 ARG A 57 -13.223 -5.067 -4.248 1.00 1.11 H new ATOM 0 HH21 ARG A 57 -11.311 -3.781 -6.910 1.00 0.42 H new ATOM 0 HH22 ARG A 57 -12.810 -4.590 -6.440 1.00 0.42 H new ATOM 923 N MET A 58 -8.192 -3.924 2.029 1.00 64.02 N ATOM 924 CA MET A 58 -7.495 -3.391 3.197 1.00 20.41 C ATOM 925 C MET A 58 -6.891 -4.528 4.015 1.00 30.30 C ATOM 926 O MET A 58 -5.755 -4.405 4.448 1.00 24.53 O ATOM 927 CB MET A 58 -8.427 -2.559 4.108 1.00 25.31 C ATOM 928 CG MET A 58 -8.249 -1.059 3.888 1.00 2.22 C ATOM 929 SD MET A 58 -9.111 0.034 5.043 1.00 70.22 S ATOM 930 CE MET A 58 -10.433 0.681 3.997 1.00 23.30 C ATOM 0 H MET A 58 -9.194 -3.734 2.035 1.00 64.02 H new ATOM 0 HA MET A 58 -6.710 -2.734 2.823 1.00 20.41 H new ATOM 0 HB2 MET A 58 -9.464 -2.834 3.914 1.00 25.31 H new ATOM 0 HB3 MET A 58 -8.224 -2.799 5.152 1.00 25.31 H new ATOM 0 HG2 MET A 58 -7.184 -0.832 3.933 1.00 2.22 H new ATOM 0 HG3 MET A 58 -8.583 -0.820 2.878 1.00 2.22 H new ATOM 0 HE1 MET A 58 -10.903 1.532 4.490 1.00 23.30 H new ATOM 0 HE2 MET A 58 -10.018 0.999 3.041 1.00 23.30 H new ATOM 0 HE3 MET A 58 -11.177 -0.097 3.828 1.00 23.30 H new ATOM 940 N ASP A 59 -7.608 -5.638 4.207 1.00 12.14 N ATOM 941 CA ASP A 59 -7.149 -6.804 4.966 1.00 2.01 C ATOM 942 C ASP A 59 -5.840 -7.312 4.358 1.00 72.54 C ATOM 943 O ASP A 59 -4.852 -7.531 5.060 1.00 51.00 O ATOM 944 CB ASP A 59 -8.153 -7.966 4.876 1.00 40.20 C ATOM 945 CG ASP A 59 -9.432 -7.862 5.708 1.00 4.24 C ATOM 946 OD1 ASP A 59 -9.346 -7.849 6.953 1.00 5.45 O ATOM 947 OD2 ASP A 59 -10.539 -7.978 5.126 1.00 55.44 O ATOM 0 H ASP A 59 -8.548 -5.754 3.829 1.00 12.14 H new ATOM 0 HA ASP A 59 -7.031 -6.493 6.004 1.00 2.01 H new ATOM 0 HB2 ASP A 59 -8.440 -8.082 3.831 1.00 40.20 H new ATOM 0 HB3 ASP A 59 -7.636 -8.880 5.167 1.00 40.20 H new ATOM 952 N ILE A 60 -5.843 -7.509 3.035 1.00 21.45 N ATOM 953 CA ILE A 60 -4.715 -8.002 2.255 1.00 65.51 C ATOM 954 C ILE A 60 -3.576 -6.979 2.236 1.00 30.31 C ATOM 955 O ILE A 60 -2.405 -7.365 2.149 1.00 61.41 O ATOM 956 CB ILE A 60 -5.238 -8.449 0.864 1.00 22.22 C ATOM 957 CG1 ILE A 60 -6.124 -9.700 1.088 1.00 34.31 C ATOM 958 CG2 ILE A 60 -4.110 -8.797 -0.114 1.00 53.13 C ATOM 959 CD1 ILE A 60 -6.818 -10.248 -0.157 1.00 71.11 C ATOM 0 H ILE A 60 -6.665 -7.321 2.461 1.00 21.45 H new ATOM 0 HA ILE A 60 -4.265 -8.883 2.713 1.00 65.51 H new ATOM 0 HB ILE A 60 -5.792 -7.623 0.418 1.00 22.22 H new ATOM 0 HG12 ILE A 60 -5.505 -10.490 1.515 1.00 34.31 H new ATOM 0 HG13 ILE A 60 -6.885 -9.456 1.829 1.00 34.31 H new ATOM 0 HG21 ILE A 60 -4.538 -9.102 -1.069 1.00 53.13 H new ATOM 0 HG22 ILE A 60 -3.475 -7.923 -0.263 1.00 53.13 H new ATOM 0 HG23 ILE A 60 -3.514 -9.613 0.294 1.00 53.13 H new ATOM 0 HD11 ILE A 60 -7.411 -11.122 0.112 1.00 71.11 H new ATOM 0 HD12 ILE A 60 -7.470 -9.482 -0.577 1.00 71.11 H new ATOM 0 HD13 ILE A 60 -6.069 -10.532 -0.896 1.00 71.11 H new ATOM 971 N ALA A 61 -3.886 -5.685 2.305 1.00 3.43 N ATOM 972 CA ALA A 61 -2.876 -4.644 2.331 1.00 53.14 C ATOM 973 C ALA A 61 -2.227 -4.632 3.718 1.00 31.23 C ATOM 974 O ALA A 61 -1.004 -4.579 3.811 1.00 32.12 O ATOM 975 CB ALA A 61 -3.501 -3.283 2.000 1.00 2.22 C ATOM 0 H ALA A 61 -4.844 -5.336 2.344 1.00 3.43 H new ATOM 0 HA ALA A 61 -2.114 -4.843 1.578 1.00 53.14 H new ATOM 0 HB1 ALA A 61 -2.730 -2.513 2.024 1.00 2.22 H new ATOM 0 HB2 ALA A 61 -3.947 -3.319 1.006 1.00 2.22 H new ATOM 0 HB3 ALA A 61 -4.271 -3.048 2.735 1.00 2.22 H new ATOM 981 N LEU A 62 -3.025 -4.724 4.789 1.00 21.34 N ATOM 982 CA LEU A 62 -2.553 -4.703 6.178 1.00 42.33 C ATOM 983 C LEU A 62 -1.661 -5.892 6.500 1.00 42.35 C ATOM 984 O LEU A 62 -0.778 -5.790 7.353 1.00 71.14 O ATOM 985 CB LEU A 62 -3.747 -4.672 7.148 1.00 11.33 C ATOM 986 CG LEU A 62 -4.211 -3.242 7.475 1.00 74.44 C ATOM 987 CD1 LEU A 62 -5.610 -3.279 8.096 1.00 33.24 C ATOM 988 CD2 LEU A 62 -3.245 -2.557 8.451 1.00 11.45 C ATOM 0 H LEU A 62 -4.038 -4.817 4.712 1.00 21.34 H new ATOM 0 HA LEU A 62 -1.957 -3.798 6.300 1.00 42.33 H new ATOM 0 HB2 LEU A 62 -4.577 -5.228 6.713 1.00 11.33 H new ATOM 0 HB3 LEU A 62 -3.472 -5.180 8.072 1.00 11.33 H new ATOM 0 HG LEU A 62 -4.230 -2.673 6.545 1.00 74.44 H new ATOM 0 HD11 LEU A 62 -5.933 -2.264 8.325 1.00 33.24 H new ATOM 0 HD12 LEU A 62 -6.309 -3.732 7.392 1.00 33.24 H new ATOM 0 HD13 LEU A 62 -5.586 -3.868 9.013 1.00 33.24 H new ATOM 0 HD21 LEU A 62 -3.598 -1.548 8.664 1.00 11.45 H new ATOM 0 HD22 LEU A 62 -3.198 -3.128 9.378 1.00 11.45 H new ATOM 0 HD23 LEU A 62 -2.252 -2.507 8.005 1.00 11.45 H new ATOM 1000 N LEU A 63 -1.872 -7.019 5.824 1.00 60.14 N ATOM 1001 CA LEU A 63 -1.079 -8.223 6.026 1.00 4.25 C ATOM 1002 C LEU A 63 0.326 -8.088 5.442 1.00 4.33 C ATOM 1003 O LEU A 63 1.135 -8.996 5.630 1.00 15.23 O ATOM 1004 CB LEU A 63 -1.811 -9.434 5.416 1.00 51.30 C ATOM 1005 CG LEU A 63 -2.872 -10.016 6.365 1.00 14.35 C ATOM 1006 CD1 LEU A 63 -3.881 -10.855 5.574 1.00 71.34 C ATOM 1007 CD2 LEU A 63 -2.225 -10.876 7.459 1.00 64.34 C ATOM 0 H LEU A 63 -2.602 -7.120 5.118 1.00 60.14 H new ATOM 0 HA LEU A 63 -0.962 -8.375 7.099 1.00 4.25 H new ATOM 0 HB2 LEU A 63 -2.287 -9.135 4.482 1.00 51.30 H new ATOM 0 HB3 LEU A 63 -1.084 -10.208 5.169 1.00 51.30 H new ATOM 0 HG LEU A 63 -3.388 -9.184 6.844 1.00 14.35 H new ATOM 0 HD11 LEU A 63 -4.628 -11.263 6.255 1.00 71.34 H new ATOM 0 HD12 LEU A 63 -4.372 -10.228 4.830 1.00 71.34 H new ATOM 0 HD13 LEU A 63 -3.362 -11.672 5.074 1.00 71.34 H new ATOM 0 HD21 LEU A 63 -3.000 -11.274 8.115 1.00 64.34 H new ATOM 0 HD22 LEU A 63 -1.680 -11.700 6.999 1.00 64.34 H new ATOM 0 HD23 LEU A 63 -1.535 -10.265 8.041 1.00 64.34 H new ATOM 1019 N GLN A 64 0.661 -6.970 4.786 1.00 44.12 N ATOM 1020 CA GLN A 64 1.992 -6.803 4.221 1.00 43.11 C ATOM 1021 C GLN A 64 2.957 -6.272 5.296 1.00 3.14 C ATOM 1022 O GLN A 64 4.154 -6.195 5.028 1.00 45.43 O ATOM 1023 CB GLN A 64 1.960 -5.900 2.969 1.00 3.11 C ATOM 1024 CG GLN A 64 1.038 -6.386 1.845 1.00 10.02 C ATOM 1025 CD GLN A 64 1.384 -7.791 1.379 1.00 71.01 C ATOM 1026 OE1 GLN A 64 2.365 -7.994 0.667 1.00 32.23 O ATOM 1027 NE2 GLN A 64 0.591 -8.779 1.762 1.00 1.11 N ATOM 0 H GLN A 64 0.033 -6.180 4.638 1.00 44.12 H new ATOM 0 HA GLN A 64 2.359 -7.775 3.892 1.00 43.11 H new ATOM 0 HB2 GLN A 64 1.647 -4.900 3.269 1.00 3.11 H new ATOM 0 HB3 GLN A 64 2.973 -5.813 2.576 1.00 3.11 H new ATOM 0 HG2 GLN A 64 0.005 -6.365 2.192 1.00 10.02 H new ATOM 0 HG3 GLN A 64 1.105 -5.699 1.001 1.00 10.02 H new ATOM 0 HE21 GLN A 64 -0.217 -8.584 2.353 1.00 1.11 H new ATOM 0 HE22 GLN A 64 0.788 -9.735 1.466 1.00 1.11 H new ATOM 1036 N HIS A 65 2.483 -5.925 6.503 1.00 21.11 N ATOM 1037 CA HIS A 65 3.315 -5.441 7.596 1.00 2.15 C ATOM 1038 C HIS A 65 4.233 -6.570 8.047 1.00 63.41 C ATOM 1039 O HIS A 65 3.774 -7.552 8.633 1.00 3.30 O ATOM 1040 CB HIS A 65 2.447 -4.992 8.776 1.00 64.10 C ATOM 1041 CG HIS A 65 3.228 -4.297 9.863 1.00 1.44 C ATOM 1042 ND1 HIS A 65 4.012 -3.162 9.674 1.00 55.30 N ATOM 1043 CD2 HIS A 65 3.204 -4.600 11.194 1.00 52.15 C ATOM 1044 CE1 HIS A 65 4.418 -2.788 10.897 1.00 71.22 C ATOM 1045 NE2 HIS A 65 3.954 -3.637 11.830 1.00 3.13 N ATOM 0 H HIS A 65 1.493 -5.977 6.742 1.00 21.11 H new ATOM 0 HA HIS A 65 3.900 -4.588 7.251 1.00 2.15 H new ATOM 0 HB2 HIS A 65 1.670 -4.321 8.411 1.00 64.10 H new ATOM 0 HB3 HIS A 65 1.944 -5.862 9.199 1.00 64.10 H new ATOM 0 HD2 HIS A 65 2.696 -5.433 11.657 1.00 52.15 H new ATOM 0 HE1 HIS A 65 5.033 -1.924 11.103 1.00 71.22 H new ATOM 0 HE2 HIS A 65 4.127 -3.578 12.833 1.00 3.13 H new ATOM 1053 N GLY A 66 5.529 -6.409 7.816 1.00 53.44 N ATOM 1054 CA GLY A 66 6.563 -7.381 8.169 1.00 30.11 C ATOM 1055 C GLY A 66 7.137 -8.113 6.954 1.00 44.43 C ATOM 1056 O GLY A 66 8.101 -8.863 7.111 1.00 73.42 O ATOM 0 H GLY A 66 5.904 -5.575 7.365 1.00 53.44 H new ATOM 0 HA2 GLY A 66 7.371 -6.870 8.693 1.00 30.11 H new ATOM 0 HA3 GLY A 66 6.146 -8.111 8.862 1.00 30.11 H new ATOM 1060 N THR A 67 6.563 -7.944 5.759 1.00 45.42 N ATOM 1061 CA THR A 67 7.076 -8.551 4.544 1.00 75.44 C ATOM 1062 C THR A 67 8.452 -7.941 4.232 1.00 55.33 C ATOM 1063 O THR A 67 8.746 -6.778 4.555 1.00 30.41 O ATOM 1064 CB THR A 67 6.108 -8.354 3.352 1.00 63.04 C ATOM 1065 OG1 THR A 67 5.827 -6.988 3.076 1.00 12.13 O ATOM 1066 CG2 THR A 67 4.783 -9.092 3.547 1.00 13.24 C ATOM 0 H THR A 67 5.726 -7.379 5.615 1.00 45.42 H new ATOM 0 HA THR A 67 7.171 -9.626 4.699 1.00 75.44 H new ATOM 0 HB THR A 67 6.639 -8.779 2.500 1.00 63.04 H new ATOM 0 HG1 THR A 67 5.241 -6.627 3.774 1.00 12.13 H new ATOM 0 HG21 THR A 67 4.141 -8.921 2.683 1.00 13.24 H new ATOM 0 HG22 THR A 67 4.973 -10.160 3.652 1.00 13.24 H new ATOM 0 HG23 THR A 67 4.289 -8.722 4.445 1.00 13.24 H new ATOM 1074 N LEU A 68 9.317 -8.736 3.615 1.00 64.24 N ATOM 1075 CA LEU A 68 10.650 -8.352 3.199 1.00 24.31 C ATOM 1076 C LEU A 68 10.510 -8.023 1.724 1.00 52.23 C ATOM 1077 O LEU A 68 10.277 -8.907 0.901 1.00 52.34 O ATOM 1078 CB LEU A 68 11.631 -9.507 3.387 1.00 1.21 C ATOM 1079 CG LEU A 68 11.930 -9.861 4.849 1.00 43.14 C ATOM 1080 CD1 LEU A 68 12.609 -11.223 4.897 1.00 13.04 C ATOM 1081 CD2 LEU A 68 12.870 -8.833 5.478 1.00 42.42 C ATOM 0 H LEU A 68 9.095 -9.704 3.384 1.00 64.24 H new ATOM 0 HA LEU A 68 11.035 -7.516 3.783 1.00 24.31 H new ATOM 0 HB2 LEU A 68 11.232 -10.390 2.888 1.00 1.21 H new ATOM 0 HB3 LEU A 68 12.567 -9.255 2.889 1.00 1.21 H new ATOM 0 HG LEU A 68 10.991 -9.871 5.402 1.00 43.14 H new ATOM 0 HD11 LEU A 68 12.826 -11.485 5.933 1.00 13.04 H new ATOM 0 HD12 LEU A 68 11.949 -11.974 4.464 1.00 13.04 H new ATOM 0 HD13 LEU A 68 13.539 -11.186 4.329 1.00 13.04 H new ATOM 0 HD21 LEU A 68 13.067 -9.106 6.515 1.00 42.42 H new ATOM 0 HD22 LEU A 68 13.809 -8.811 4.924 1.00 42.42 H new ATOM 0 HD23 LEU A 68 12.406 -7.847 5.444 1.00 42.42 H new ATOM 1093 N LEU A 69 10.587 -6.743 1.399 1.00 14.13 N ATOM 1094 CA LEU A 69 10.479 -6.222 0.051 1.00 52.34 C ATOM 1095 C LEU A 69 11.891 -5.901 -0.395 1.00 21.54 C ATOM 1096 O LEU A 69 12.489 -4.970 0.135 1.00 54.41 O ATOM 1097 CB LEU A 69 9.582 -4.985 0.070 1.00 62.01 C ATOM 1098 CG LEU A 69 9.443 -4.304 -1.300 1.00 25.50 C ATOM 1099 CD1 LEU A 69 8.777 -5.213 -2.336 1.00 75.34 C ATOM 1100 CD2 LEU A 69 8.587 -3.061 -1.090 1.00 13.01 C ATOM 0 H LEU A 69 10.732 -6.012 2.096 1.00 14.13 H new ATOM 0 HA LEU A 69 10.029 -6.931 -0.644 1.00 52.34 H new ATOM 0 HB2 LEU A 69 8.592 -5.270 0.427 1.00 62.01 H new ATOM 0 HB3 LEU A 69 9.984 -4.266 0.784 1.00 62.01 H new ATOM 0 HG LEU A 69 10.433 -4.062 -1.686 1.00 25.50 H new ATOM 0 HD11 LEU A 69 8.702 -4.686 -3.287 1.00 75.34 H new ATOM 0 HD12 LEU A 69 9.375 -6.115 -2.467 1.00 75.34 H new ATOM 0 HD13 LEU A 69 7.779 -5.486 -1.993 1.00 75.34 H new ATOM 0 HD21 LEU A 69 8.460 -2.542 -2.040 1.00 13.01 H new ATOM 0 HD22 LEU A 69 7.611 -3.353 -0.703 1.00 13.01 H new ATOM 0 HD23 LEU A 69 9.077 -2.398 -0.377 1.00 13.01 H new ATOM 1112 N LYS A 70 12.414 -6.662 -1.355 1.00 23.24 N ATOM 1113 CA LYS A 70 13.773 -6.509 -1.888 1.00 24.55 C ATOM 1114 C LYS A 70 14.806 -6.418 -0.755 1.00 42.12 C ATOM 1115 O LYS A 70 15.619 -5.499 -0.679 1.00 62.51 O ATOM 1116 CB LYS A 70 13.879 -5.396 -2.930 1.00 22.02 C ATOM 1117 CG LYS A 70 12.769 -5.438 -3.994 1.00 62.11 C ATOM 1118 CD LYS A 70 13.200 -4.808 -5.323 1.00 31.14 C ATOM 1119 CE LYS A 70 12.988 -3.292 -5.416 1.00 63.03 C ATOM 1120 NZ LYS A 70 13.302 -2.816 -6.783 1.00 33.44 N ATOM 0 H LYS A 70 11.895 -7.421 -1.796 1.00 23.24 H new ATOM 0 HA LYS A 70 14.017 -7.415 -2.443 1.00 24.55 H new ATOM 0 HB2 LYS A 70 13.848 -4.432 -2.423 1.00 22.02 H new ATOM 0 HB3 LYS A 70 14.848 -5.465 -3.425 1.00 22.02 H new ATOM 0 HG2 LYS A 70 12.475 -6.473 -4.166 1.00 62.11 H new ATOM 0 HG3 LYS A 70 11.890 -4.915 -3.617 1.00 62.11 H new ATOM 0 HD2 LYS A 70 14.256 -5.023 -5.485 1.00 31.14 H new ATOM 0 HD3 LYS A 70 12.649 -5.288 -6.132 1.00 31.14 H new ATOM 0 HE2 LYS A 70 11.956 -3.045 -5.165 1.00 63.03 H new ATOM 0 HE3 LYS A 70 13.623 -2.783 -4.691 1.00 63.03 H new ATOM 0 HZ1 LYS A 70 13.821 -1.916 -6.727 1.00 33.44 H new ATOM 0 HZ2 LYS A 70 13.888 -3.524 -7.271 1.00 33.44 H new ATOM 0 HZ3 LYS A 70 12.418 -2.673 -7.312 1.00 33.44 H new ATOM 1134 N GLU A 71 14.713 -7.397 0.140 1.00 21.51 N ATOM 1135 CA GLU A 71 15.544 -7.618 1.324 1.00 43.42 C ATOM 1136 C GLU A 71 15.552 -6.441 2.317 1.00 24.52 C ATOM 1137 O GLU A 71 16.564 -6.119 2.949 1.00 44.44 O ATOM 1138 CB GLU A 71 16.920 -8.194 0.924 1.00 32.21 C ATOM 1139 CG GLU A 71 16.710 -9.415 0.004 1.00 13.01 C ATOM 1140 CD GLU A 71 17.801 -10.485 0.059 1.00 51.31 C ATOM 1141 OE1 GLU A 71 17.918 -11.150 1.117 1.00 1.34 O ATOM 1142 OE2 GLU A 71 18.457 -10.745 -0.974 1.00 35.43 O ATOM 0 H GLU A 71 13.996 -8.117 0.050 1.00 21.51 H new ATOM 0 HA GLU A 71 15.075 -8.394 1.929 1.00 43.42 H new ATOM 0 HB2 GLU A 71 17.511 -7.435 0.412 1.00 32.21 H new ATOM 0 HB3 GLU A 71 17.478 -8.485 1.814 1.00 32.21 H new ATOM 0 HG2 GLU A 71 15.758 -9.880 0.261 1.00 13.01 H new ATOM 0 HG3 GLU A 71 16.625 -9.062 -1.024 1.00 13.01 H new ATOM 1149 N LYS A 72 14.385 -5.813 2.494 1.00 12.33 N ATOM 1150 CA LYS A 72 14.133 -4.694 3.402 1.00 51.11 C ATOM 1151 C LYS A 72 12.802 -4.971 4.071 1.00 21.04 C ATOM 1152 O LYS A 72 11.786 -5.120 3.396 1.00 31.04 O ATOM 1153 CB LYS A 72 14.106 -3.347 2.661 1.00 33.00 C ATOM 1154 CG LYS A 72 15.493 -2.708 2.610 1.00 33.44 C ATOM 1155 CD LYS A 72 15.889 -2.054 3.940 1.00 71.51 C ATOM 1156 CE LYS A 72 17.306 -1.534 3.739 1.00 21.25 C ATOM 1157 NZ LYS A 72 17.820 -0.771 4.890 1.00 24.32 N ATOM 0 H LYS A 72 13.548 -6.088 1.980 1.00 12.33 H new ATOM 0 HA LYS A 72 14.936 -4.614 4.135 1.00 51.11 H new ATOM 0 HB2 LYS A 72 13.735 -3.496 1.647 1.00 33.00 H new ATOM 0 HB3 LYS A 72 13.411 -2.671 3.158 1.00 33.00 H new ATOM 0 HG2 LYS A 72 16.230 -3.468 2.349 1.00 33.44 H new ATOM 0 HG3 LYS A 72 15.515 -1.958 1.819 1.00 33.44 H new ATOM 0 HD2 LYS A 72 15.207 -1.243 4.196 1.00 71.51 H new ATOM 0 HD3 LYS A 72 15.849 -2.774 4.757 1.00 71.51 H new ATOM 0 HE2 LYS A 72 17.970 -2.377 3.546 1.00 21.25 H new ATOM 0 HE3 LYS A 72 17.330 -0.900 2.853 1.00 21.25 H new ATOM 0 HZ1 LYS A 72 18.787 -0.447 4.688 1.00 24.32 H new ATOM 0 HZ2 LYS A 72 17.208 0.052 5.062 1.00 24.32 H new ATOM 0 HZ3 LYS A 72 17.828 -1.379 5.734 1.00 24.32 H new ATOM 1171 N LYS A 73 12.800 -5.118 5.396 1.00 11.41 N ATOM 1172 CA LYS A 73 11.558 -5.398 6.119 1.00 1.44 C ATOM 1173 C LYS A 73 10.790 -4.084 6.253 1.00 32.11 C ATOM 1174 O LYS A 73 11.197 -3.207 7.018 1.00 75.24 O ATOM 1175 CB LYS A 73 11.836 -6.072 7.476 1.00 41.22 C ATOM 1176 CG LYS A 73 10.653 -6.983 7.850 1.00 30.52 C ATOM 1177 CD LYS A 73 11.024 -8.153 8.772 1.00 3.23 C ATOM 1178 CE LYS A 73 10.982 -7.834 10.266 1.00 64.53 C ATOM 1179 NZ LYS A 73 11.955 -6.807 10.689 1.00 2.42 N ATOM 0 H LYS A 73 13.631 -5.049 5.984 1.00 11.41 H new ATOM 0 HA LYS A 73 10.946 -6.112 5.567 1.00 1.44 H new ATOM 0 HB2 LYS A 73 12.755 -6.656 7.422 1.00 41.22 H new ATOM 0 HB3 LYS A 73 11.983 -5.315 8.246 1.00 41.22 H new ATOM 0 HG2 LYS A 73 9.886 -6.381 8.337 1.00 30.52 H new ATOM 0 HG3 LYS A 73 10.213 -7.381 6.936 1.00 30.52 H new ATOM 0 HD2 LYS A 73 10.345 -8.982 8.573 1.00 3.23 H new ATOM 0 HD3 LYS A 73 12.027 -8.494 8.516 1.00 3.23 H new ATOM 0 HE2 LYS A 73 9.978 -7.498 10.527 1.00 64.53 H new ATOM 0 HE3 LYS A 73 11.168 -8.749 10.828 1.00 64.53 H new ATOM 0 HZ1 LYS A 73 11.999 -6.778 11.728 1.00 2.42 H new ATOM 0 HZ2 LYS A 73 12.894 -7.041 10.309 1.00 2.42 H new ATOM 0 HZ3 LYS A 73 11.658 -5.878 10.329 1.00 2.42 H new ATOM 1193 N ILE A 74 9.731 -3.916 5.472 1.00 51.11 N ATOM 1194 CA ILE A 74 8.883 -2.728 5.450 1.00 74.15 C ATOM 1195 C ILE A 74 7.867 -2.687 6.600 1.00 44.03 C ATOM 1196 O ILE A 74 7.829 -3.601 7.429 1.00 13.43 O ATOM 1197 CB ILE A 74 8.255 -2.504 4.059 1.00 75.30 C ATOM 1198 CG1 ILE A 74 7.177 -3.484 3.582 1.00 2.33 C ATOM 1199 CG2 ILE A 74 9.374 -2.350 3.013 1.00 23.44 C ATOM 1200 CD1 ILE A 74 6.531 -3.097 2.261 1.00 53.01 C ATOM 0 H ILE A 74 9.426 -4.630 4.810 1.00 51.11 H new ATOM 0 HA ILE A 74 9.533 -1.873 5.633 1.00 74.15 H new ATOM 0 HB ILE A 74 7.678 -1.587 4.178 1.00 75.30 H new ATOM 0 HG12 ILE A 74 7.620 -4.475 3.482 1.00 2.33 H new ATOM 0 HG13 ILE A 74 6.403 -3.557 4.346 1.00 2.33 H new ATOM 0 HG21 ILE A 74 8.933 -2.192 2.029 1.00 23.44 H new ATOM 0 HG22 ILE A 74 9.999 -1.496 3.272 1.00 23.44 H new ATOM 0 HG23 ILE A 74 9.983 -3.254 2.996 1.00 23.44 H new ATOM 0 HD11 ILE A 74 5.780 -3.840 1.992 1.00 53.01 H new ATOM 0 HD12 ILE A 74 6.057 -2.121 2.360 1.00 53.01 H new ATOM 0 HD13 ILE A 74 7.293 -3.053 1.483 1.00 53.01 H new ATOM 1212 N ASN A 75 7.162 -1.568 6.745 1.00 72.41 N ATOM 1213 CA ASN A 75 6.105 -1.327 7.724 1.00 62.31 C ATOM 1214 C ASN A 75 4.864 -0.931 6.936 1.00 43.22 C ATOM 1215 O ASN A 75 5.007 -0.308 5.885 1.00 4.43 O ATOM 1216 CB ASN A 75 6.467 -0.197 8.702 1.00 1.24 C ATOM 1217 CG ASN A 75 6.751 1.167 8.077 1.00 3.23 C ATOM 1218 OD1 ASN A 75 7.892 1.615 8.006 1.00 73.22 O ATOM 1219 ND2 ASN A 75 5.739 1.901 7.644 1.00 4.33 N ATOM 0 H ASN A 75 7.323 -0.757 6.147 1.00 72.41 H new ATOM 0 HA ASN A 75 5.949 -2.225 8.321 1.00 62.31 H new ATOM 0 HB2 ASN A 75 5.649 -0.085 9.414 1.00 1.24 H new ATOM 0 HB3 ASN A 75 7.345 -0.503 9.271 1.00 1.24 H new ATOM 0 HD21 ASN A 75 5.911 2.829 7.256 1.00 4.33 H new ATOM 0 HD22 ASN A 75 4.787 1.539 7.698 1.00 4.33 H new ATOM 1226 N VAL A 76 3.672 -1.237 7.446 1.00 12.53 N ATOM 1227 CA VAL A 76 2.381 -0.932 6.845 1.00 54.52 C ATOM 1228 C VAL A 76 1.462 -0.503 7.994 1.00 60.41 C ATOM 1229 O VAL A 76 1.295 -1.271 8.945 1.00 40.32 O ATOM 1230 CB VAL A 76 1.842 -2.165 6.100 1.00 45.02 C ATOM 1231 CG1 VAL A 76 0.408 -1.937 5.610 1.00 42.10 C ATOM 1232 CG2 VAL A 76 2.698 -2.559 4.891 1.00 35.34 C ATOM 0 H VAL A 76 3.579 -1.729 8.335 1.00 12.53 H new ATOM 0 HA VAL A 76 2.450 -0.134 6.105 1.00 54.52 H new ATOM 0 HB VAL A 76 1.873 -2.975 6.829 1.00 45.02 H new ATOM 0 HG11 VAL A 76 0.056 -2.827 5.088 1.00 42.10 H new ATOM 0 HG12 VAL A 76 -0.240 -1.737 6.463 1.00 42.10 H new ATOM 0 HG13 VAL A 76 0.387 -1.085 4.930 1.00 42.10 H new ATOM 0 HG21 VAL A 76 2.265 -3.435 4.409 1.00 35.34 H new ATOM 0 HG22 VAL A 76 2.728 -1.732 4.182 1.00 35.34 H new ATOM 0 HG23 VAL A 76 3.711 -2.790 5.222 1.00 35.34 H new ATOM 1242 N GLU A 77 0.917 0.716 7.944 1.00 45.42 N ATOM 1243 CA GLU A 77 0.032 1.278 8.964 1.00 62.04 C ATOM 1244 C GLU A 77 -1.128 2.051 8.309 1.00 43.13 C ATOM 1245 O GLU A 77 -1.225 2.150 7.083 1.00 15.30 O ATOM 1246 CB GLU A 77 0.796 2.147 9.993 1.00 15.54 C ATOM 1247 CG GLU A 77 2.206 1.661 10.368 1.00 72.53 C ATOM 1248 CD GLU A 77 2.674 2.102 11.762 1.00 4.23 C ATOM 1249 OE1 GLU A 77 3.273 3.199 11.910 1.00 34.13 O ATOM 1250 OE2 GLU A 77 2.517 1.330 12.738 1.00 43.43 O ATOM 0 H GLU A 77 1.086 1.357 7.169 1.00 45.42 H new ATOM 0 HA GLU A 77 -0.391 0.445 9.526 1.00 62.04 H new ATOM 0 HB2 GLU A 77 0.875 3.159 9.597 1.00 15.54 H new ATOM 0 HB3 GLU A 77 0.199 2.207 10.903 1.00 15.54 H new ATOM 0 HG2 GLU A 77 2.228 0.572 10.317 1.00 72.53 H new ATOM 0 HG3 GLU A 77 2.914 2.029 9.626 1.00 72.53 H new ATOM 1257 N LEU A 78 -2.059 2.540 9.126 1.00 12.51 N ATOM 1258 CA LEU A 78 -3.242 3.291 8.710 1.00 41.55 C ATOM 1259 C LEU A 78 -2.950 4.762 8.398 1.00 4.02 C ATOM 1260 O LEU A 78 -2.051 5.360 8.994 1.00 55.15 O ATOM 1261 CB LEU A 78 -4.269 3.254 9.863 1.00 43.51 C ATOM 1262 CG LEU A 78 -5.397 2.223 9.729 1.00 61.13 C ATOM 1263 CD1 LEU A 78 -6.330 2.601 8.579 1.00 74.44 C ATOM 1264 CD2 LEU A 78 -4.870 0.797 9.555 1.00 63.42 C ATOM 0 H LEU A 78 -2.008 2.419 10.137 1.00 12.51 H new ATOM 0 HA LEU A 78 -3.612 2.825 7.797 1.00 41.55 H new ATOM 0 HB2 LEU A 78 -3.734 3.059 10.793 1.00 43.51 H new ATOM 0 HB3 LEU A 78 -4.717 4.243 9.955 1.00 43.51 H new ATOM 0 HG LEU A 78 -5.959 2.238 10.663 1.00 61.13 H new ATOM 0 HD11 LEU A 78 -7.125 1.860 8.497 1.00 74.44 H new ATOM 0 HD12 LEU A 78 -6.766 3.581 8.772 1.00 74.44 H new ATOM 0 HD13 LEU A 78 -5.765 2.632 7.647 1.00 74.44 H new ATOM 0 HD21 LEU A 78 -5.709 0.107 9.465 1.00 63.42 H new ATOM 0 HD22 LEU A 78 -4.258 0.743 8.655 1.00 63.42 H new ATOM 0 HD23 LEU A 78 -4.267 0.524 10.421 1.00 63.42 H new ATOM 1276 N THR A 79 -3.749 5.366 7.510 1.00 75.12 N ATOM 1277 CA THR A 79 -3.637 6.773 7.136 1.00 41.25 C ATOM 1278 C THR A 79 -5.048 7.272 6.821 1.00 55.03 C ATOM 1279 O THR A 79 -5.743 6.662 5.997 1.00 61.21 O ATOM 1280 CB THR A 79 -2.719 6.991 5.912 1.00 74.43 C ATOM 1281 OG1 THR A 79 -2.266 5.780 5.364 1.00 0.03 O ATOM 1282 CG2 THR A 79 -1.490 7.844 6.203 1.00 24.12 C ATOM 0 H THR A 79 -4.503 4.879 7.025 1.00 75.12 H new ATOM 0 HA THR A 79 -3.186 7.325 7.961 1.00 41.25 H new ATOM 0 HB THR A 79 -3.357 7.520 5.205 1.00 74.43 H new ATOM 0 HG1 THR A 79 -1.467 5.945 4.821 1.00 0.03 H new ATOM 0 HG21 THR A 79 -0.897 7.950 5.294 1.00 24.12 H new ATOM 0 HG22 THR A 79 -1.804 8.829 6.549 1.00 24.12 H new ATOM 0 HG23 THR A 79 -0.888 7.364 6.975 1.00 24.12 H new