USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 412 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 147 CYS SG : rot 93:sc= 2.46 USER MOD Set 1.2: A 156 CYS SG : rot 111:sc= 0.668 USER MOD Set 1.3: A 162 CYS SG : rot -100:sc= -0.253 USER MOD Set 1.4: A 166 HIS : no HD1:sc= 1.07 K(o=4,f=-11!) USER MOD Set 2.1: A 104 CYS SG : rot 95:sc= 0.937 USER MOD Set 2.2: A 113 CYS SG : rot 135:sc= -0.161 USER MOD Set 2.3: A 119 CYS SG : rot -96:sc= 1.82 USER MOD Set 2.4: A 123 HIS : no HD1:sc= 0.464 K(o=3.1,f=-10!) USER MOD Single : A 100 LYS NZ :NH3+ -164:sc= 0.356 (180deg=0.245) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 167:sc= 0.0368 (180deg=0.018) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 114 SER OG : rot 180:sc=0.000497 USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 GLN : amide:sc= -0.0259 X(o=-0.026,f=-0.026) USER MOD Single : A 126 HIS : no HD1:sc= -0.812 K(o=-0.81,f=-4!) USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 151 SER OG : rot -7:sc= 0.65 USER MOD Single : A 152 MET CE :methyl -132:sc= -0.283 (180deg=-0.962) USER MOD Single : A 153 THR OG1 : rot -49:sc= 1.37 USER MOD Single : A 155 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 158 TYR OH : rot 180:sc= 0 USER MOD Single : A 160 THR OG1 : rot 180:sc= 0 USER MOD Single : A 163 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 167 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PHE A 99 0.510 8.022 10.852 1.00 50.30 N ATOM 37 CA PHE A 99 -0.258 7.086 10.012 1.00 14.52 C ATOM 38 C PHE A 99 -0.571 7.760 8.664 1.00 22.33 C ATOM 39 O PHE A 99 -1.103 8.873 8.639 1.00 30.31 O ATOM 40 CB PHE A 99 -1.575 6.635 10.724 1.00 50.32 C ATOM 41 CG PHE A 99 -2.051 5.223 10.366 1.00 43.12 C ATOM 42 CD1 PHE A 99 -1.641 4.116 11.116 1.00 73.11 C ATOM 43 CD2 PHE A 99 -2.911 5.002 9.292 1.00 3.33 C ATOM 44 CE1 PHE A 99 -2.080 2.843 10.800 1.00 72.40 C ATOM 45 CE2 PHE A 99 -3.345 3.729 8.977 1.00 55.31 C ATOM 46 CZ PHE A 99 -2.931 2.649 9.731 1.00 22.03 C ATOM 0 HA PHE A 99 0.340 6.191 9.841 1.00 14.52 H new ATOM 0 HB2 PHE A 99 -1.425 6.690 11.802 1.00 50.32 H new ATOM 0 HB3 PHE A 99 -2.366 7.343 10.476 1.00 50.32 H new ATOM 0 HD1 PHE A 99 -0.973 4.257 11.953 1.00 73.11 H new ATOM 0 HD2 PHE A 99 -3.243 5.839 8.696 1.00 3.33 H new ATOM 0 HE1 PHE A 99 -1.756 1.999 11.391 1.00 72.40 H new ATOM 0 HE2 PHE A 99 -4.010 3.578 8.139 1.00 55.31 H new ATOM 0 HZ PHE A 99 -3.272 1.654 9.485 1.00 22.03 H new ATOM 56 N LYS A 100 -0.194 7.072 7.574 1.00 12.24 N ATOM 57 CA LYS A 100 -0.410 7.472 6.156 1.00 64.54 C ATOM 58 C LYS A 100 -0.062 8.955 5.859 1.00 20.10 C ATOM 59 O LYS A 100 -0.709 9.625 5.045 1.00 32.12 O ATOM 60 CB LYS A 100 -1.835 7.051 5.654 1.00 62.30 C ATOM 61 CG LYS A 100 -3.053 7.681 6.372 1.00 15.34 C ATOM 62 CD LYS A 100 -4.400 7.160 5.817 1.00 20.55 C ATOM 63 CE LYS A 100 -4.584 5.649 6.021 1.00 1.54 C ATOM 64 NZ LYS A 100 -5.819 5.147 5.360 1.00 73.11 N ATOM 0 H LYS A 100 0.293 6.179 7.651 1.00 12.24 H new ATOM 0 HA LYS A 100 0.313 6.911 5.565 1.00 64.54 H new ATOM 0 HB2 LYS A 100 -1.905 7.294 4.594 1.00 62.30 H new ATOM 0 HB3 LYS A 100 -1.916 5.967 5.739 1.00 62.30 H new ATOM 0 HG2 LYS A 100 -2.995 7.464 7.439 1.00 15.34 H new ATOM 0 HG3 LYS A 100 -3.014 8.765 6.264 1.00 15.34 H new ATOM 0 HD2 LYS A 100 -5.218 7.690 6.305 1.00 20.55 H new ATOM 0 HD3 LYS A 100 -4.462 7.388 4.753 1.00 20.55 H new ATOM 0 HE2 LYS A 100 -3.718 5.121 5.622 1.00 1.54 H new ATOM 0 HE3 LYS A 100 -4.628 5.429 7.088 1.00 1.54 H new ATOM 0 HZ1 LYS A 100 -6.055 4.206 5.735 1.00 73.11 H new ATOM 0 HZ2 LYS A 100 -6.604 5.802 5.549 1.00 73.11 H new ATOM 0 HZ3 LYS A 100 -5.662 5.082 4.334 1.00 73.11 H new ATOM 78 N THR A 101 1.016 9.433 6.508 1.00 54.22 N ATOM 79 CA THR A 101 1.583 10.775 6.271 1.00 42.24 C ATOM 80 C THR A 101 2.627 10.738 5.130 1.00 55.45 C ATOM 81 O THR A 101 3.050 11.785 4.629 1.00 71.54 O ATOM 82 CB THR A 101 2.234 11.343 7.577 1.00 12.43 C ATOM 83 OG1 THR A 101 3.267 10.454 8.047 1.00 72.44 O ATOM 84 CG2 THR A 101 1.189 11.549 8.693 1.00 44.42 C ATOM 0 H THR A 101 1.521 8.898 7.214 1.00 54.22 H new ATOM 0 HA THR A 101 0.767 11.434 5.974 1.00 42.24 H new ATOM 0 HB THR A 101 2.666 12.313 7.330 1.00 12.43 H new ATOM 0 HG1 THR A 101 3.668 10.820 8.863 1.00 72.44 H new ATOM 0 HG21 THR A 101 1.680 11.944 9.583 1.00 44.42 H new ATOM 0 HG22 THR A 101 0.429 12.254 8.355 1.00 44.42 H new ATOM 0 HG23 THR A 101 0.719 10.595 8.932 1.00 44.42 H new ATOM 92 N ALA A 102 3.026 9.517 4.731 1.00 52.13 N ATOM 93 CA ALA A 102 3.956 9.262 3.614 1.00 72.43 C ATOM 94 C ALA A 102 3.358 8.176 2.700 1.00 75.54 C ATOM 95 O ALA A 102 2.504 7.408 3.146 1.00 65.42 O ATOM 96 CB ALA A 102 5.331 8.844 4.161 1.00 30.21 C ATOM 0 H ALA A 102 2.705 8.662 5.185 1.00 52.13 H new ATOM 0 HA ALA A 102 4.096 10.170 3.028 1.00 72.43 H new ATOM 0 HB1 ALA A 102 6.012 8.658 3.330 1.00 30.21 H new ATOM 0 HB2 ALA A 102 5.732 9.642 4.786 1.00 30.21 H new ATOM 0 HB3 ALA A 102 5.226 7.936 4.755 1.00 30.21 H new ATOM 102 N LEU A 103 3.816 8.112 1.433 1.00 61.02 N ATOM 103 CA LEU A 103 3.232 7.217 0.400 1.00 64.44 C ATOM 104 C LEU A 103 3.657 5.744 0.587 1.00 12.23 C ATOM 105 O LEU A 103 4.699 5.446 1.181 1.00 63.32 O ATOM 106 CB LEU A 103 3.611 7.715 -1.024 1.00 44.44 C ATOM 107 CG LEU A 103 3.052 9.120 -1.421 1.00 15.20 C ATOM 108 CD1 LEU A 103 3.534 9.546 -2.826 1.00 23.01 C ATOM 109 CD2 LEU A 103 1.508 9.164 -1.320 1.00 50.43 C ATOM 0 H LEU A 103 4.597 8.674 1.093 1.00 61.02 H new ATOM 0 HA LEU A 103 2.149 7.254 0.518 1.00 64.44 H new ATOM 0 HB2 LEU A 103 4.698 7.741 -1.103 1.00 44.44 H new ATOM 0 HB3 LEU A 103 3.256 6.984 -1.751 1.00 44.44 H new ATOM 0 HG LEU A 103 3.449 9.840 -0.706 1.00 15.20 H new ATOM 0 HD11 LEU A 103 3.126 10.527 -3.069 1.00 23.01 H new ATOM 0 HD12 LEU A 103 4.623 9.593 -2.838 1.00 23.01 H new ATOM 0 HD13 LEU A 103 3.193 8.819 -3.563 1.00 23.01 H new ATOM 0 HD21 LEU A 103 1.153 10.155 -1.603 1.00 50.43 H new ATOM 0 HD22 LEU A 103 1.078 8.420 -1.990 1.00 50.43 H new ATOM 0 HD23 LEU A 103 1.204 8.949 -0.296 1.00 50.43 H new ATOM 121 N CYS A 104 2.819 4.840 0.047 1.00 12.01 N ATOM 122 CA CYS A 104 2.969 3.379 0.178 1.00 45.40 C ATOM 123 C CYS A 104 3.847 2.821 -0.955 1.00 32.15 C ATOM 124 O CYS A 104 3.545 3.024 -2.141 1.00 70.24 O ATOM 125 CB CYS A 104 1.559 2.740 0.160 1.00 70.30 C ATOM 126 SG CYS A 104 1.468 0.948 0.499 1.00 65.40 S ATOM 0 H CYS A 104 2.003 5.110 -0.503 1.00 12.01 H new ATOM 0 HA CYS A 104 3.465 3.137 1.118 1.00 45.40 H new ATOM 0 HB2 CYS A 104 0.941 3.257 0.894 1.00 70.30 H new ATOM 0 HB3 CYS A 104 1.114 2.925 -0.818 1.00 70.30 H new ATOM 0 HG CYS A 104 1.229 0.757 1.762 1.00 65.40 H new ATOM 131 N ASP A 105 4.935 2.122 -0.574 1.00 23.10 N ATOM 132 CA ASP A 105 5.876 1.498 -1.526 1.00 71.44 C ATOM 133 C ASP A 105 5.236 0.294 -2.235 1.00 33.41 C ATOM 134 O ASP A 105 5.571 -0.007 -3.384 1.00 52.34 O ATOM 135 CB ASP A 105 7.194 1.085 -0.821 1.00 41.11 C ATOM 136 CG ASP A 105 8.006 2.291 -0.307 1.00 70.23 C ATOM 137 OD1 ASP A 105 8.323 2.357 0.900 1.00 72.31 O ATOM 138 OD2 ASP A 105 8.324 3.189 -1.116 1.00 34.53 O ATOM 0 H ASP A 105 5.186 1.974 0.403 1.00 23.10 H new ATOM 0 HA ASP A 105 6.118 2.243 -2.284 1.00 71.44 H new ATOM 0 HB2 ASP A 105 6.961 0.427 0.017 1.00 41.11 H new ATOM 0 HB3 ASP A 105 7.807 0.511 -1.516 1.00 41.11 H new ATOM 143 N ALA A 106 4.301 -0.371 -1.540 1.00 52.44 N ATOM 144 CA ALA A 106 3.517 -1.485 -2.099 1.00 71.21 C ATOM 145 C ALA A 106 2.559 -0.989 -3.205 1.00 55.41 C ATOM 146 O ALA A 106 2.257 -1.717 -4.153 1.00 5.21 O ATOM 147 CB ALA A 106 2.739 -2.188 -0.976 1.00 42.15 C ATOM 0 H ALA A 106 4.066 -0.152 -0.572 1.00 52.44 H new ATOM 0 HA ALA A 106 4.202 -2.200 -2.554 1.00 71.21 H new ATOM 0 HB1 ALA A 106 2.160 -3.012 -1.395 1.00 42.15 H new ATOM 0 HB2 ALA A 106 3.439 -2.576 -0.236 1.00 42.15 H new ATOM 0 HB3 ALA A 106 2.065 -1.476 -0.500 1.00 42.15 H new ATOM 153 N TYR A 107 2.109 0.273 -3.071 1.00 33.41 N ATOM 154 CA TYR A 107 1.197 0.915 -4.034 1.00 52.50 C ATOM 155 C TYR A 107 1.963 1.384 -5.292 1.00 43.14 C ATOM 156 O TYR A 107 1.480 1.213 -6.412 1.00 5.31 O ATOM 157 CB TYR A 107 0.464 2.109 -3.358 1.00 5.54 C ATOM 158 CG TYR A 107 -0.530 2.865 -4.265 1.00 64.24 C ATOM 159 CD1 TYR A 107 -1.814 2.366 -4.505 1.00 73.42 C ATOM 160 CD2 TYR A 107 -0.184 4.077 -4.875 1.00 2.53 C ATOM 161 CE1 TYR A 107 -2.708 3.046 -5.312 1.00 5.32 C ATOM 162 CE2 TYR A 107 -1.077 4.755 -5.683 1.00 41.20 C ATOM 163 CZ TYR A 107 -2.336 4.238 -5.898 1.00 20.01 C ATOM 164 OH TYR A 107 -3.230 4.920 -6.697 1.00 14.13 O ATOM 0 H TYR A 107 2.369 0.876 -2.290 1.00 33.41 H new ATOM 0 HA TYR A 107 0.455 0.182 -4.350 1.00 52.50 H new ATOM 0 HB2 TYR A 107 -0.074 1.738 -2.486 1.00 5.54 H new ATOM 0 HB3 TYR A 107 1.211 2.815 -2.995 1.00 5.54 H new ATOM 0 HD1 TYR A 107 -2.113 1.432 -4.052 1.00 73.42 H new ATOM 0 HD2 TYR A 107 0.800 4.490 -4.711 1.00 2.53 H new ATOM 0 HE1 TYR A 107 -3.696 2.644 -5.483 1.00 5.32 H new ATOM 0 HE2 TYR A 107 -0.789 5.688 -6.145 1.00 41.20 H new ATOM 0 HH TYR A 107 -2.811 5.741 -7.031 1.00 14.13 H new ATOM 174 N LYS A 108 3.159 1.979 -5.101 1.00 24.42 N ATOM 175 CA LYS A 108 3.936 2.570 -6.220 1.00 53.42 C ATOM 176 C LYS A 108 4.643 1.477 -7.060 1.00 71.42 C ATOM 177 O LYS A 108 4.734 1.597 -8.287 1.00 21.33 O ATOM 178 CB LYS A 108 4.962 3.625 -5.692 1.00 35.51 C ATOM 179 CG LYS A 108 6.125 3.045 -4.862 1.00 74.12 C ATOM 180 CD LYS A 108 7.074 4.118 -4.276 1.00 63.41 C ATOM 181 CE LYS A 108 6.402 5.018 -3.221 1.00 34.32 C ATOM 182 NZ LYS A 108 7.394 5.891 -2.541 1.00 70.02 N ATOM 0 H LYS A 108 3.609 2.065 -4.190 1.00 24.42 H new ATOM 0 HA LYS A 108 3.232 3.082 -6.876 1.00 53.42 H new ATOM 0 HB2 LYS A 108 5.377 4.164 -6.544 1.00 35.51 H new ATOM 0 HB3 LYS A 108 4.429 4.354 -5.082 1.00 35.51 H new ATOM 0 HG2 LYS A 108 5.715 2.452 -4.045 1.00 74.12 H new ATOM 0 HG3 LYS A 108 6.703 2.367 -5.489 1.00 74.12 H new ATOM 0 HD2 LYS A 108 7.935 3.624 -3.826 1.00 63.41 H new ATOM 0 HD3 LYS A 108 7.451 4.741 -5.087 1.00 63.41 H new ATOM 0 HE2 LYS A 108 5.640 5.634 -3.698 1.00 34.32 H new ATOM 0 HE3 LYS A 108 5.894 4.398 -2.482 1.00 34.32 H new ATOM 0 HZ1 LYS A 108 6.896 6.630 -2.004 1.00 70.02 H new ATOM 0 HZ2 LYS A 108 7.971 5.320 -1.891 1.00 70.02 H new ATOM 0 HZ3 LYS A 108 8.010 6.335 -3.251 1.00 70.02 H new ATOM 196 N ARG A 109 5.128 0.403 -6.391 1.00 30.31 N ATOM 197 CA ARG A 109 5.919 -0.662 -7.051 1.00 31.31 C ATOM 198 C ARG A 109 5.029 -1.808 -7.558 1.00 52.35 C ATOM 199 O ARG A 109 5.093 -2.180 -8.734 1.00 2.33 O ATOM 200 CB ARG A 109 6.987 -1.227 -6.076 1.00 31.33 C ATOM 201 CG ARG A 109 8.099 -0.232 -5.686 1.00 0.23 C ATOM 202 CD ARG A 109 9.134 -0.855 -4.731 1.00 64.11 C ATOM 203 NE ARG A 109 9.738 -2.084 -5.291 1.00 51.32 N ATOM 204 CZ ARG A 109 10.530 -2.939 -4.621 1.00 32.13 C ATOM 205 NH1 ARG A 109 10.846 -2.729 -3.349 1.00 73.31 N ATOM 206 NH2 ARG A 109 10.998 -4.013 -5.235 1.00 4.03 N ATOM 0 H ARG A 109 4.984 0.252 -5.393 1.00 30.31 H new ATOM 0 HA ARG A 109 6.411 -0.210 -7.912 1.00 31.31 H new ATOM 0 HB2 ARG A 109 6.487 -1.565 -5.168 1.00 31.33 H new ATOM 0 HB3 ARG A 109 7.447 -2.104 -6.532 1.00 31.33 H new ATOM 0 HG2 ARG A 109 8.603 0.117 -6.587 1.00 0.23 H new ATOM 0 HG3 ARG A 109 7.651 0.642 -5.213 1.00 0.23 H new ATOM 0 HD2 ARG A 109 9.919 -0.128 -4.523 1.00 64.11 H new ATOM 0 HD3 ARG A 109 8.655 -1.088 -3.780 1.00 64.11 H new ATOM 0 HE ARG A 109 9.537 -2.301 -6.267 1.00 51.32 H new ATOM 0 HH11 ARG A 109 10.486 -1.907 -2.863 1.00 73.31 H new ATOM 0 HH12 ARG A 109 11.448 -3.389 -2.857 1.00 73.31 H new ATOM 0 HH21 ARG A 109 10.757 -4.188 -6.211 1.00 4.03 H new ATOM 0 HH22 ARG A 109 11.599 -4.666 -4.733 1.00 4.03 H new ATOM 220 N SER A 110 4.186 -2.348 -6.663 1.00 52.15 N ATOM 221 CA SER A 110 3.372 -3.551 -6.944 1.00 4.44 C ATOM 222 C SER A 110 1.953 -3.171 -7.406 1.00 53.43 C ATOM 223 O SER A 110 1.318 -3.940 -8.134 1.00 43.45 O ATOM 224 CB SER A 110 3.315 -4.441 -5.672 1.00 5.21 C ATOM 225 OG SER A 110 2.558 -5.631 -5.873 1.00 60.15 O ATOM 0 H SER A 110 4.047 -1.968 -5.727 1.00 52.15 H new ATOM 0 HA SER A 110 3.839 -4.109 -7.756 1.00 4.44 H new ATOM 0 HB2 SER A 110 4.329 -4.705 -5.372 1.00 5.21 H new ATOM 0 HB3 SER A 110 2.878 -3.870 -4.852 1.00 5.21 H new ATOM 0 HG SER A 110 2.552 -6.158 -5.047 1.00 60.15 H new ATOM 231 N GLN A 111 1.487 -1.970 -6.975 1.00 25.20 N ATOM 232 CA GLN A 111 0.093 -1.484 -7.173 1.00 10.01 C ATOM 233 C GLN A 111 -0.917 -2.357 -6.394 1.00 11.04 C ATOM 234 O GLN A 111 -2.123 -2.326 -6.665 1.00 15.05 O ATOM 235 CB GLN A 111 -0.278 -1.381 -8.685 1.00 62.34 C ATOM 236 CG GLN A 111 0.639 -0.456 -9.509 1.00 1.15 C ATOM 237 CD GLN A 111 0.286 -0.440 -10.999 1.00 13.10 C ATOM 238 OE1 GLN A 111 0.796 -1.252 -11.775 1.00 10.04 O ATOM 239 NE2 GLN A 111 -0.587 0.471 -11.407 1.00 45.34 N ATOM 0 H GLN A 111 2.074 -1.303 -6.474 1.00 25.20 H new ATOM 0 HA GLN A 111 0.038 -0.474 -6.766 1.00 10.01 H new ATOM 0 HB2 GLN A 111 -0.251 -2.380 -9.121 1.00 62.34 H new ATOM 0 HB3 GLN A 111 -1.304 -1.023 -8.770 1.00 62.34 H new ATOM 0 HG2 GLN A 111 0.573 0.558 -9.114 1.00 1.15 H new ATOM 0 HG3 GLN A 111 1.673 -0.778 -9.389 1.00 1.15 H new ATOM 0 HE21 GLN A 111 -0.989 1.127 -10.738 1.00 45.34 H new ATOM 0 HE22 GLN A 111 -0.856 0.515 -12.390 1.00 45.34 H new ATOM 248 N ALA A 112 -0.404 -3.080 -5.385 1.00 31.52 N ATOM 249 CA ALA A 112 -1.180 -4.023 -4.576 1.00 34.00 C ATOM 250 C ALA A 112 -0.593 -4.071 -3.158 1.00 61.20 C ATOM 251 O ALA A 112 0.490 -4.633 -2.938 1.00 33.14 O ATOM 252 CB ALA A 112 -1.182 -5.419 -5.229 1.00 21.51 C ATOM 0 H ALA A 112 0.576 -3.022 -5.108 1.00 31.52 H new ATOM 0 HA ALA A 112 -2.216 -3.689 -4.516 1.00 34.00 H new ATOM 0 HB1 ALA A 112 -1.763 -6.107 -4.615 1.00 21.51 H new ATOM 0 HB2 ALA A 112 -1.626 -5.355 -6.222 1.00 21.51 H new ATOM 0 HB3 ALA A 112 -0.158 -5.783 -5.312 1.00 21.51 H new ATOM 258 N CYS A 113 -1.297 -3.431 -2.216 1.00 31.13 N ATOM 259 CA CYS A 113 -0.921 -3.385 -0.794 1.00 45.00 C ATOM 260 C CYS A 113 -1.822 -4.344 -0.001 1.00 63.20 C ATOM 261 O CYS A 113 -3.054 -4.258 -0.084 1.00 32.21 O ATOM 262 CB CYS A 113 -1.057 -1.936 -0.280 1.00 2.34 C ATOM 263 SG CYS A 113 -0.672 -1.690 1.487 1.00 23.53 S ATOM 0 H CYS A 113 -2.157 -2.922 -2.422 1.00 31.13 H new ATOM 0 HA CYS A 113 0.114 -3.700 -0.664 1.00 45.00 H new ATOM 0 HB2 CYS A 113 -0.400 -1.297 -0.870 1.00 2.34 H new ATOM 0 HB3 CYS A 113 -2.077 -1.599 -0.462 1.00 2.34 H new ATOM 0 HG CYS A 113 0.072 -0.633 1.626 1.00 23.53 H new ATOM 268 N SER A 114 -1.193 -5.245 0.769 1.00 61.13 N ATOM 269 CA SER A 114 -1.881 -6.348 1.467 1.00 40.03 C ATOM 270 C SER A 114 -2.680 -5.852 2.687 1.00 1.54 C ATOM 271 O SER A 114 -3.778 -6.351 2.954 1.00 30.43 O ATOM 272 CB SER A 114 -0.838 -7.407 1.891 1.00 22.13 C ATOM 273 OG SER A 114 0.214 -6.816 2.641 1.00 21.53 O ATOM 0 H SER A 114 -0.185 -5.231 0.928 1.00 61.13 H new ATOM 0 HA SER A 114 -2.601 -6.793 0.780 1.00 40.03 H new ATOM 0 HB2 SER A 114 -1.322 -8.181 2.486 1.00 22.13 H new ATOM 0 HB3 SER A 114 -0.429 -7.894 1.006 1.00 22.13 H new ATOM 0 HG SER A 114 0.860 -7.506 2.899 1.00 21.53 H new ATOM 279 N TYR A 115 -2.122 -4.863 3.410 1.00 4.20 N ATOM 280 CA TYR A 115 -2.725 -4.336 4.657 1.00 60.13 C ATOM 281 C TYR A 115 -3.984 -3.484 4.373 1.00 74.40 C ATOM 282 O TYR A 115 -4.885 -3.411 5.215 1.00 12.33 O ATOM 283 CB TYR A 115 -1.679 -3.519 5.449 1.00 1.21 C ATOM 284 CG TYR A 115 -0.426 -4.324 5.835 1.00 41.22 C ATOM 285 CD1 TYR A 115 -0.463 -5.250 6.882 1.00 12.54 C ATOM 286 CD2 TYR A 115 0.784 -4.167 5.152 1.00 72.31 C ATOM 287 CE1 TYR A 115 0.656 -5.981 7.232 1.00 2.31 C ATOM 288 CE2 TYR A 115 1.903 -4.898 5.500 1.00 4.43 C ATOM 289 CZ TYR A 115 1.836 -5.803 6.538 1.00 53.42 C ATOM 290 OH TYR A 115 2.954 -6.530 6.890 1.00 23.02 O ATOM 0 H TYR A 115 -1.247 -4.407 3.152 1.00 4.20 H new ATOM 0 HA TYR A 115 -3.042 -5.187 5.260 1.00 60.13 H new ATOM 0 HB2 TYR A 115 -1.377 -2.658 4.853 1.00 1.21 H new ATOM 0 HB3 TYR A 115 -2.144 -3.132 6.355 1.00 1.21 H new ATOM 0 HD1 TYR A 115 -1.384 -5.397 7.427 1.00 12.54 H new ATOM 0 HD2 TYR A 115 0.845 -3.461 4.337 1.00 72.31 H new ATOM 0 HE1 TYR A 115 0.608 -6.689 8.046 1.00 2.31 H new ATOM 0 HE2 TYR A 115 2.828 -4.761 4.960 1.00 4.43 H new ATOM 0 HH TYR A 115 3.700 -6.287 6.303 1.00 23.02 H new ATOM 300 N GLY A 116 -4.014 -2.842 3.187 1.00 72.53 N ATOM 301 CA GLY A 116 -5.171 -2.056 2.737 1.00 13.25 C ATOM 302 C GLY A 116 -5.428 -0.814 3.592 1.00 1.32 C ATOM 303 O GLY A 116 -4.654 0.142 3.541 1.00 54.20 O ATOM 0 H GLY A 116 -3.241 -2.856 2.522 1.00 72.53 H new ATOM 0 HA2 GLY A 116 -5.014 -1.750 1.703 1.00 13.25 H new ATOM 0 HA3 GLY A 116 -6.059 -2.688 2.751 1.00 13.25 H new ATOM 307 N ASP A 117 -6.506 -0.843 4.398 1.00 61.45 N ATOM 308 CA ASP A 117 -6.890 0.279 5.293 1.00 63.30 C ATOM 309 C ASP A 117 -5.975 0.336 6.523 1.00 42.41 C ATOM 310 O ASP A 117 -5.764 1.406 7.104 1.00 65.14 O ATOM 311 CB ASP A 117 -8.368 0.146 5.743 1.00 21.42 C ATOM 312 CG ASP A 117 -9.350 0.201 4.565 1.00 72.11 C ATOM 313 OD1 ASP A 117 -9.725 -0.869 4.039 1.00 41.13 O ATOM 314 OD2 ASP A 117 -9.735 1.318 4.146 1.00 23.12 O ATOM 0 H ASP A 117 -7.138 -1.641 4.451 1.00 61.45 H new ATOM 0 HA ASP A 117 -6.777 1.205 4.729 1.00 63.30 H new ATOM 0 HB2 ASP A 117 -8.498 -0.796 6.276 1.00 21.42 H new ATOM 0 HB3 ASP A 117 -8.604 0.946 6.445 1.00 21.42 H new ATOM 319 N GLN A 118 -5.433 -0.834 6.909 1.00 62.35 N ATOM 320 CA GLN A 118 -4.497 -0.956 8.048 1.00 54.14 C ATOM 321 C GLN A 118 -3.043 -0.650 7.619 1.00 71.42 C ATOM 322 O GLN A 118 -2.112 -0.772 8.424 1.00 23.21 O ATOM 323 CB GLN A 118 -4.604 -2.374 8.671 1.00 12.12 C ATOM 324 CG GLN A 118 -6.016 -2.752 9.176 1.00 31.03 C ATOM 325 CD GLN A 118 -6.586 -1.767 10.203 1.00 71.12 C ATOM 326 OE1 GLN A 118 -6.370 -1.912 11.405 1.00 12.23 O ATOM 327 NE2 GLN A 118 -7.332 -0.768 9.737 1.00 50.14 N ATOM 0 H GLN A 118 -5.629 -1.720 6.443 1.00 62.35 H new ATOM 0 HA GLN A 118 -4.775 -0.218 8.801 1.00 54.14 H new ATOM 0 HB2 GLN A 118 -4.290 -3.107 7.928 1.00 12.12 H new ATOM 0 HB3 GLN A 118 -3.904 -2.444 9.504 1.00 12.12 H new ATOM 0 HG2 GLN A 118 -6.694 -2.808 8.324 1.00 31.03 H new ATOM 0 HG3 GLN A 118 -5.979 -3.746 9.621 1.00 31.03 H new ATOM 0 HE21 GLN A 118 -7.492 -0.676 8.734 1.00 50.14 H new ATOM 0 HE22 GLN A 118 -7.744 -0.095 10.383 1.00 50.14 H new ATOM 336 N CYS A 119 -2.862 -0.263 6.341 1.00 31.44 N ATOM 337 CA CYS A 119 -1.573 0.199 5.817 1.00 72.34 C ATOM 338 C CYS A 119 -1.260 1.588 6.391 1.00 14.02 C ATOM 339 O CYS A 119 -2.012 2.544 6.164 1.00 30.33 O ATOM 340 CB CYS A 119 -1.607 0.233 4.270 1.00 34.14 C ATOM 341 SG CYS A 119 -0.057 0.756 3.461 1.00 31.23 S ATOM 0 H CYS A 119 -3.609 -0.264 5.647 1.00 31.44 H new ATOM 0 HA CYS A 119 -0.786 -0.491 6.120 1.00 72.34 H new ATOM 0 HB2 CYS A 119 -1.868 -0.761 3.908 1.00 34.14 H new ATOM 0 HB3 CYS A 119 -2.405 0.906 3.956 1.00 34.14 H new ATOM 0 HG CYS A 119 -0.120 2.024 3.181 1.00 31.23 H new ATOM 346 N ARG A 120 -0.146 1.682 7.141 1.00 42.21 N ATOM 347 CA ARG A 120 0.312 2.946 7.770 1.00 72.02 C ATOM 348 C ARG A 120 0.997 3.893 6.756 1.00 34.42 C ATOM 349 O ARG A 120 1.649 4.864 7.147 1.00 30.32 O ATOM 350 CB ARG A 120 1.234 2.676 9.009 1.00 32.12 C ATOM 351 CG ARG A 120 2.626 2.039 8.741 1.00 55.04 C ATOM 352 CD ARG A 120 2.573 0.542 8.395 1.00 30.14 C ATOM 353 NE ARG A 120 1.867 -0.231 9.439 1.00 72.53 N ATOM 354 CZ ARG A 120 1.140 -1.346 9.246 1.00 63.23 C ATOM 355 NH1 ARG A 120 0.983 -1.876 8.036 1.00 40.42 N ATOM 356 NH2 ARG A 120 0.562 -1.928 10.282 1.00 60.11 N ATOM 0 H ARG A 120 0.465 0.888 7.331 1.00 42.21 H new ATOM 0 HA ARG A 120 -0.582 3.456 8.128 1.00 72.02 H new ATOM 0 HB2 ARG A 120 1.391 3.623 9.524 1.00 32.12 H new ATOM 0 HB3 ARG A 120 0.693 2.025 9.696 1.00 32.12 H new ATOM 0 HG2 ARG A 120 3.107 2.574 7.922 1.00 55.04 H new ATOM 0 HG3 ARG A 120 3.252 2.176 9.623 1.00 55.04 H new ATOM 0 HD2 ARG A 120 2.070 0.406 7.438 1.00 30.14 H new ATOM 0 HD3 ARG A 120 3.587 0.158 8.280 1.00 30.14 H new ATOM 0 HE ARG A 120 1.938 0.114 10.396 1.00 72.53 H new ATOM 0 HH11 ARG A 120 1.419 -1.436 7.226 1.00 40.42 H new ATOM 0 HH12 ARG A 120 0.426 -2.722 7.918 1.00 40.42 H new ATOM 0 HH21 ARG A 120 0.670 -1.531 11.215 1.00 60.11 H new ATOM 0 HH22 ARG A 120 0.008 -2.774 10.148 1.00 60.11 H new ATOM 370 N PHE A 121 0.832 3.611 5.451 1.00 51.32 N ATOM 371 CA PHE A 121 1.292 4.473 4.353 1.00 73.41 C ATOM 372 C PHE A 121 0.145 4.671 3.337 1.00 61.12 C ATOM 373 O PHE A 121 -0.612 3.733 3.045 1.00 73.42 O ATOM 374 CB PHE A 121 2.544 3.866 3.679 1.00 31.40 C ATOM 375 CG PHE A 121 3.793 3.875 4.563 1.00 54.14 C ATOM 376 CD1 PHE A 121 4.603 5.010 4.643 1.00 71.53 C ATOM 377 CD2 PHE A 121 4.152 2.757 5.317 1.00 71.20 C ATOM 378 CE1 PHE A 121 5.726 5.024 5.447 1.00 34.55 C ATOM 379 CE2 PHE A 121 5.277 2.775 6.118 1.00 61.02 C ATOM 380 CZ PHE A 121 6.062 3.908 6.185 1.00 50.22 C ATOM 0 H PHE A 121 0.367 2.763 5.127 1.00 51.32 H new ATOM 0 HA PHE A 121 1.573 5.448 4.750 1.00 73.41 H new ATOM 0 HB2 PHE A 121 2.325 2.839 3.388 1.00 31.40 H new ATOM 0 HB3 PHE A 121 2.755 4.419 2.764 1.00 31.40 H new ATOM 0 HD1 PHE A 121 4.348 5.888 4.069 1.00 71.53 H new ATOM 0 HD2 PHE A 121 3.542 1.866 5.274 1.00 71.20 H new ATOM 0 HE1 PHE A 121 6.342 5.910 5.498 1.00 34.55 H new ATOM 0 HE2 PHE A 121 5.543 1.900 6.693 1.00 61.02 H new ATOM 0 HZ PHE A 121 6.939 3.921 6.815 1.00 50.22 H new ATOM 390 N ALA A 122 0.046 5.902 2.808 1.00 11.12 N ATOM 391 CA ALA A 122 -1.077 6.369 1.980 1.00 11.41 C ATOM 392 C ALA A 122 -1.062 5.767 0.567 1.00 61.34 C ATOM 393 O ALA A 122 -0.009 5.679 -0.074 1.00 25.14 O ATOM 394 CB ALA A 122 -1.043 7.901 1.903 1.00 21.22 C ATOM 0 H ALA A 122 0.761 6.616 2.948 1.00 11.12 H new ATOM 0 HA ALA A 122 -2.000 6.033 2.453 1.00 11.41 H new ATOM 0 HB1 ALA A 122 -1.873 8.253 1.290 1.00 21.22 H new ATOM 0 HB2 ALA A 122 -1.130 8.318 2.906 1.00 21.22 H new ATOM 0 HB3 ALA A 122 -0.102 8.222 1.457 1.00 21.22 H new ATOM 400 N HIS A 123 -2.259 5.387 0.080 1.00 43.53 N ATOM 401 CA HIS A 123 -2.461 4.857 -1.290 1.00 32.12 C ATOM 402 C HIS A 123 -2.940 5.983 -2.232 1.00 51.23 C ATOM 403 O HIS A 123 -3.619 5.733 -3.235 1.00 53.25 O ATOM 404 CB HIS A 123 -3.486 3.685 -1.240 1.00 24.44 C ATOM 405 CG HIS A 123 -3.068 2.519 -0.376 1.00 12.02 C ATOM 406 ND1 HIS A 123 -3.901 1.486 -0.032 1.00 15.44 N ATOM 407 CD2 HIS A 123 -1.869 2.228 0.189 1.00 32.13 C ATOM 408 CE1 HIS A 123 -3.205 0.623 0.710 1.00 52.13 C ATOM 409 NE2 HIS A 123 -1.952 1.028 0.878 1.00 3.51 N ATOM 0 H HIS A 123 -3.119 5.438 0.625 1.00 43.53 H new ATOM 0 HA HIS A 123 -1.517 4.478 -1.682 1.00 32.12 H new ATOM 0 HB2 HIS A 123 -4.438 4.068 -0.874 1.00 24.44 H new ATOM 0 HB3 HIS A 123 -3.656 3.325 -2.255 1.00 24.44 H new ATOM 0 HD2 HIS A 123 -0.982 2.840 0.113 1.00 32.13 H new ATOM 0 HE1 HIS A 123 -3.610 -0.290 1.122 1.00 52.13 H new ATOM 0 HE2 HIS A 123 -1.212 0.559 1.400 1.00 3.51 H new ATOM 417 N GLY A 124 -2.534 7.223 -1.913 1.00 71.34 N ATOM 418 CA GLY A 124 -2.892 8.405 -2.691 1.00 11.32 C ATOM 419 C GLY A 124 -2.764 9.676 -1.870 1.00 44.11 C ATOM 420 O GLY A 124 -2.573 9.618 -0.645 1.00 2.43 O ATOM 0 H GLY A 124 -1.947 7.427 -1.104 1.00 71.34 H new ATOM 0 HA2 GLY A 124 -2.249 8.472 -3.568 1.00 11.32 H new ATOM 0 HA3 GLY A 124 -3.916 8.307 -3.053 1.00 11.32 H new ATOM 424 N VAL A 125 -2.891 10.832 -2.548 1.00 52.11 N ATOM 425 CA VAL A 125 -2.768 12.162 -1.914 1.00 21.10 C ATOM 426 C VAL A 125 -3.979 12.454 -0.992 1.00 42.44 C ATOM 427 O VAL A 125 -3.871 13.222 -0.027 1.00 43.42 O ATOM 428 CB VAL A 125 -2.597 13.295 -3.001 1.00 4.40 C ATOM 429 CG1 VAL A 125 -3.867 13.467 -3.872 1.00 12.41 C ATOM 430 CG2 VAL A 125 -2.154 14.639 -2.365 1.00 31.43 C ATOM 0 H VAL A 125 -3.081 10.872 -3.549 1.00 52.11 H new ATOM 0 HA VAL A 125 -1.871 12.155 -1.295 1.00 21.10 H new ATOM 0 HB VAL A 125 -1.798 12.972 -3.668 1.00 4.40 H new ATOM 0 HG11 VAL A 125 -3.702 14.257 -4.605 1.00 12.41 H new ATOM 0 HG12 VAL A 125 -4.083 12.532 -4.389 1.00 12.41 H new ATOM 0 HG13 VAL A 125 -4.711 13.733 -3.236 1.00 12.41 H new ATOM 0 HG21 VAL A 125 -2.047 15.393 -3.145 1.00 31.43 H new ATOM 0 HG22 VAL A 125 -2.904 14.966 -1.645 1.00 31.43 H new ATOM 0 HG23 VAL A 125 -1.199 14.504 -1.858 1.00 31.43 H new ATOM 440 N HIS A 126 -5.118 11.792 -1.287 1.00 12.34 N ATOM 441 CA HIS A 126 -6.364 11.903 -0.499 1.00 52.42 C ATOM 442 C HIS A 126 -6.170 11.328 0.924 1.00 50.50 C ATOM 443 O HIS A 126 -6.752 11.830 1.891 1.00 0.31 O ATOM 444 CB HIS A 126 -7.521 11.172 -1.238 1.00 14.41 C ATOM 445 CG HIS A 126 -7.356 9.671 -1.345 1.00 23.53 C ATOM 446 ND1 HIS A 126 -6.242 9.114 -1.920 1.00 41.41 N ATOM 447 CD2 HIS A 126 -8.170 8.674 -0.916 1.00 71.14 C ATOM 448 CE1 HIS A 126 -6.398 7.808 -1.827 1.00 31.04 C ATOM 449 NE2 HIS A 126 -7.551 7.492 -1.225 1.00 74.42 N ATOM 0 H HIS A 126 -5.199 11.161 -2.084 1.00 12.34 H new ATOM 0 HA HIS A 126 -6.622 12.957 -0.397 1.00 52.42 H new ATOM 0 HB2 HIS A 126 -8.456 11.385 -0.720 1.00 14.41 H new ATOM 0 HB3 HIS A 126 -7.611 11.586 -2.242 1.00 14.41 H new ATOM 0 HD2 HIS A 126 -9.125 8.790 -0.424 1.00 71.14 H new ATOM 0 HE1 HIS A 126 -5.684 7.084 -2.191 1.00 31.04 H new ATOM 0 HE2 HIS A 126 -7.901 6.553 -1.034 1.00 74.42 H new ATOM 457 N GLU A 127 -5.339 10.272 1.025 1.00 54.13 N ATOM 458 CA GLU A 127 -5.008 9.612 2.303 1.00 60.13 C ATOM 459 C GLU A 127 -3.835 10.301 3.019 1.00 42.13 C ATOM 460 O GLU A 127 -3.581 9.995 4.181 1.00 1.43 O ATOM 461 CB GLU A 127 -4.679 8.112 2.069 1.00 52.34 C ATOM 462 CG GLU A 127 -5.904 7.217 1.807 1.00 24.44 C ATOM 463 CD GLU A 127 -5.544 5.745 1.554 1.00 25.02 C ATOM 464 OE1 GLU A 127 -4.874 5.128 2.418 1.00 74.42 O ATOM 465 OE2 GLU A 127 -5.942 5.190 0.507 1.00 60.30 O ATOM 0 H GLU A 127 -4.877 9.851 0.219 1.00 54.13 H new ATOM 0 HA GLU A 127 -5.884 9.694 2.946 1.00 60.13 H new ATOM 0 HB2 GLU A 127 -3.999 8.031 1.221 1.00 52.34 H new ATOM 0 HB3 GLU A 127 -4.147 7.731 2.941 1.00 52.34 H new ATOM 0 HG2 GLU A 127 -6.577 7.276 2.662 1.00 24.44 H new ATOM 0 HG3 GLU A 127 -6.449 7.603 0.945 1.00 24.44 H new ATOM 472 N LEU A 128 -3.102 11.202 2.330 1.00 32.02 N ATOM 473 CA LEU A 128 -2.003 11.953 2.964 1.00 53.03 C ATOM 474 C LEU A 128 -2.561 12.937 4.012 1.00 51.21 C ATOM 475 O LEU A 128 -3.290 13.875 3.671 1.00 35.54 O ATOM 476 CB LEU A 128 -1.139 12.711 1.911 1.00 52.31 C ATOM 477 CG LEU A 128 -0.171 11.833 1.057 1.00 50.50 C ATOM 478 CD1 LEU A 128 0.601 12.687 0.025 1.00 1.12 C ATOM 479 CD2 LEU A 128 0.810 11.048 1.958 1.00 31.03 C ATOM 0 H LEU A 128 -3.251 11.424 1.346 1.00 32.02 H new ATOM 0 HA LEU A 128 -1.355 11.232 3.463 1.00 53.03 H new ATOM 0 HB2 LEU A 128 -1.809 13.240 1.234 1.00 52.31 H new ATOM 0 HB3 LEU A 128 -0.549 13.466 2.431 1.00 52.31 H new ATOM 0 HG LEU A 128 -0.780 11.114 0.509 1.00 50.50 H new ATOM 0 HD11 LEU A 128 1.266 12.046 -0.553 1.00 1.12 H new ATOM 0 HD12 LEU A 128 -0.106 13.175 -0.646 1.00 1.12 H new ATOM 0 HD13 LEU A 128 1.188 13.444 0.545 1.00 1.12 H new ATOM 0 HD21 LEU A 128 1.472 10.445 1.336 1.00 31.03 H new ATOM 0 HD22 LEU A 128 1.403 11.748 2.547 1.00 31.03 H new ATOM 0 HD23 LEU A 128 0.248 10.397 2.627 1.00 31.03 H new ATOM 491 N ARG A 129 -2.254 12.665 5.290 1.00 43.33 N ATOM 492 CA ARG A 129 -2.457 13.618 6.394 1.00 51.54 C ATOM 493 C ARG A 129 -1.135 14.361 6.606 1.00 14.33 C ATOM 494 O ARG A 129 -0.076 13.727 6.647 1.00 52.02 O ATOM 495 CB ARG A 129 -2.905 12.901 7.712 1.00 34.42 C ATOM 496 CG ARG A 129 -4.402 12.488 7.769 1.00 64.13 C ATOM 497 CD ARG A 129 -4.779 11.361 6.793 1.00 3.02 C ATOM 498 NE ARG A 129 -6.231 11.087 6.787 1.00 70.23 N ATOM 499 CZ ARG A 129 -6.842 10.048 7.385 1.00 2.12 C ATOM 500 NH1 ARG A 129 -6.150 9.144 8.072 1.00 11.05 N ATOM 501 NH2 ARG A 129 -8.153 9.921 7.285 1.00 73.32 N ATOM 0 H ARG A 129 -1.856 11.774 5.588 1.00 43.33 H new ATOM 0 HA ARG A 129 -3.257 14.312 6.136 1.00 51.54 H new ATOM 0 HB2 ARG A 129 -2.294 12.008 7.846 1.00 34.42 H new ATOM 0 HB3 ARG A 129 -2.695 13.561 8.554 1.00 34.42 H new ATOM 0 HG2 ARG A 129 -4.642 12.171 8.784 1.00 64.13 H new ATOM 0 HG3 ARG A 129 -5.017 13.362 7.554 1.00 64.13 H new ATOM 0 HD2 ARG A 129 -4.458 11.632 5.787 1.00 3.02 H new ATOM 0 HD3 ARG A 129 -4.241 10.453 7.065 1.00 3.02 H new ATOM 0 HE ARG A 129 -6.825 11.746 6.283 1.00 70.23 H new ATOM 0 HH11 ARG A 129 -5.137 9.231 8.153 1.00 11.05 H new ATOM 0 HH12 ARG A 129 -6.632 8.364 8.518 1.00 11.05 H new ATOM 0 HH21 ARG A 129 -8.693 10.607 6.758 1.00 73.32 H new ATOM 0 HH22 ARG A 129 -8.625 9.137 7.735 1.00 73.32 H new ATOM 772 N VAL A 145 -0.382 44.251 7.744 1.00 54.33 N ATOM 773 CA VAL A 145 -1.534 45.120 8.057 1.00 1.14 C ATOM 774 C VAL A 145 -1.025 46.438 8.674 1.00 32.42 C ATOM 775 O VAL A 145 -0.023 46.428 9.384 1.00 14.51 O ATOM 776 CB VAL A 145 -2.527 44.398 9.050 1.00 10.24 C ATOM 777 CG1 VAL A 145 -3.782 45.260 9.351 1.00 12.33 C ATOM 778 CG2 VAL A 145 -2.922 43.000 8.518 1.00 62.12 C ATOM 0 HA VAL A 145 -2.076 45.335 7.136 1.00 1.14 H new ATOM 0 HB VAL A 145 -1.999 44.266 9.995 1.00 10.24 H new ATOM 0 HG11 VAL A 145 -4.436 44.723 10.038 1.00 12.33 H new ATOM 0 HG12 VAL A 145 -3.476 46.203 9.804 1.00 12.33 H new ATOM 0 HG13 VAL A 145 -4.317 45.460 8.423 1.00 12.33 H new ATOM 0 HG21 VAL A 145 -3.606 42.524 9.220 1.00 62.12 H new ATOM 0 HG22 VAL A 145 -3.410 43.104 7.549 1.00 62.12 H new ATOM 0 HG23 VAL A 145 -2.028 42.386 8.410 1.00 62.12 H new ATOM 788 N LEU A 146 -1.709 47.561 8.380 1.00 42.24 N ATOM 789 CA LEU A 146 -1.358 48.892 8.926 1.00 52.24 C ATOM 790 C LEU A 146 -1.741 49.003 10.417 1.00 53.13 C ATOM 791 O LEU A 146 -2.662 48.320 10.882 1.00 71.14 O ATOM 792 CB LEU A 146 -2.064 50.008 8.106 1.00 31.51 C ATOM 793 CG LEU A 146 -1.700 50.068 6.588 1.00 72.44 C ATOM 794 CD1 LEU A 146 -2.518 51.153 5.857 1.00 55.33 C ATOM 795 CD2 LEU A 146 -0.182 50.277 6.379 1.00 64.51 C ATOM 0 H LEU A 146 -2.518 47.574 7.759 1.00 42.24 H new ATOM 0 HA LEU A 146 -0.278 49.017 8.846 1.00 52.24 H new ATOM 0 HB2 LEU A 146 -3.142 49.873 8.197 1.00 31.51 H new ATOM 0 HB3 LEU A 146 -1.824 50.971 8.556 1.00 31.51 H new ATOM 0 HG LEU A 146 -1.963 49.105 6.151 1.00 72.44 H new ATOM 0 HD11 LEU A 146 -2.241 51.169 4.803 1.00 55.33 H new ATOM 0 HD12 LEU A 146 -3.581 50.931 5.950 1.00 55.33 H new ATOM 0 HD13 LEU A 146 -2.310 52.126 6.301 1.00 55.33 H new ATOM 0 HD21 LEU A 146 0.037 50.314 5.312 1.00 64.51 H new ATOM 0 HD22 LEU A 146 0.124 51.214 6.845 1.00 64.51 H new ATOM 0 HD23 LEU A 146 0.365 49.451 6.833 1.00 64.51 H new ATOM 807 N CYS A 147 -1.019 49.868 11.153 1.00 21.14 N ATOM 808 CA CYS A 147 -1.236 50.088 12.594 1.00 12.32 C ATOM 809 C CYS A 147 -2.322 51.164 12.794 1.00 74.21 C ATOM 810 O CYS A 147 -2.112 52.332 12.436 1.00 62.21 O ATOM 811 CB CYS A 147 0.107 50.506 13.249 1.00 22.41 C ATOM 812 SG CYS A 147 0.170 50.418 15.074 1.00 32.35 S ATOM 0 H CYS A 147 -0.266 50.436 10.763 1.00 21.14 H new ATOM 0 HA CYS A 147 -1.582 49.171 13.071 1.00 12.32 H new ATOM 0 HB2 CYS A 147 0.897 49.872 12.847 1.00 22.41 H new ATOM 0 HB3 CYS A 147 0.333 51.528 12.946 1.00 22.41 H new ATOM 0 HG CYS A 147 0.633 49.259 15.437 1.00 32.35 H new ATOM 817 N ASP A 148 -3.475 50.754 13.368 1.00 24.53 N ATOM 818 CA ASP A 148 -4.637 51.643 13.603 1.00 35.32 C ATOM 819 C ASP A 148 -4.281 52.743 14.610 1.00 11.42 C ATOM 820 O ASP A 148 -4.476 53.930 14.341 1.00 23.21 O ATOM 821 CB ASP A 148 -5.867 50.840 14.122 1.00 24.11 C ATOM 822 CG ASP A 148 -6.494 49.914 13.066 1.00 21.52 C ATOM 823 OD1 ASP A 148 -7.397 50.360 12.329 1.00 61.00 O ATOM 824 OD2 ASP A 148 -6.095 48.736 12.970 1.00 5.53 O ATOM 0 H ASP A 148 -3.627 49.796 13.682 1.00 24.53 H new ATOM 0 HA ASP A 148 -4.897 52.100 12.648 1.00 35.32 H new ATOM 0 HB2 ASP A 148 -5.563 50.242 14.981 1.00 24.11 H new ATOM 0 HB3 ASP A 148 -6.625 51.541 14.473 1.00 24.11 H new ATOM 829 N LYS A 149 -3.737 52.321 15.761 1.00 74.41 N ATOM 830 CA LYS A 149 -3.421 53.224 16.884 1.00 3.32 C ATOM 831 C LYS A 149 -2.386 54.291 16.475 1.00 3.14 C ATOM 832 O LYS A 149 -2.574 55.480 16.728 1.00 1.31 O ATOM 833 CB LYS A 149 -2.901 52.402 18.093 1.00 42.11 C ATOM 834 CG LYS A 149 -3.879 51.319 18.614 1.00 41.32 C ATOM 835 CD LYS A 149 -5.238 51.899 19.076 1.00 64.10 C ATOM 836 CE LYS A 149 -6.176 50.823 19.653 1.00 74.33 C ATOM 837 NZ LYS A 149 -7.512 51.379 20.008 1.00 5.11 N ATOM 0 H LYS A 149 -3.503 51.345 15.942 1.00 74.41 H new ATOM 0 HA LYS A 149 -4.336 53.743 17.170 1.00 3.32 H new ATOM 0 HB2 LYS A 149 -1.965 51.920 17.811 1.00 42.11 H new ATOM 0 HB3 LYS A 149 -2.673 53.088 18.909 1.00 42.11 H new ATOM 0 HG2 LYS A 149 -4.053 50.586 17.826 1.00 41.32 H new ATOM 0 HG3 LYS A 149 -3.415 50.789 19.446 1.00 41.32 H new ATOM 0 HD2 LYS A 149 -5.064 52.666 19.830 1.00 64.10 H new ATOM 0 HD3 LYS A 149 -5.726 52.387 18.232 1.00 64.10 H new ATOM 0 HE2 LYS A 149 -6.299 50.021 18.925 1.00 74.33 H new ATOM 0 HE3 LYS A 149 -5.720 50.382 20.539 1.00 74.33 H new ATOM 0 HZ1 LYS A 149 -8.112 50.622 20.393 1.00 5.11 H new ATOM 0 HZ2 LYS A 149 -7.398 52.127 20.722 1.00 5.11 H new ATOM 0 HZ3 LYS A 149 -7.959 51.777 19.158 1.00 5.11 H new ATOM 851 N PHE A 150 -1.328 53.850 15.778 1.00 74.45 N ATOM 852 CA PHE A 150 -0.198 54.718 15.409 1.00 33.40 C ATOM 853 C PHE A 150 -0.589 55.735 14.308 1.00 51.22 C ATOM 854 O PHE A 150 0.051 56.778 14.175 1.00 13.23 O ATOM 855 CB PHE A 150 1.009 53.855 14.961 1.00 44.04 C ATOM 856 CG PHE A 150 2.319 54.635 14.837 1.00 2.55 C ATOM 857 CD1 PHE A 150 2.806 55.045 13.595 1.00 50.31 C ATOM 858 CD2 PHE A 150 3.052 54.972 15.977 1.00 43.14 C ATOM 859 CE1 PHE A 150 3.981 55.761 13.498 1.00 31.42 C ATOM 860 CE2 PHE A 150 4.228 55.688 15.876 1.00 44.04 C ATOM 861 CZ PHE A 150 4.692 56.083 14.637 1.00 52.35 C ATOM 0 H PHE A 150 -1.231 52.887 15.455 1.00 74.45 H new ATOM 0 HA PHE A 150 0.086 55.294 16.290 1.00 33.40 H new ATOM 0 HB2 PHE A 150 1.147 53.043 15.675 1.00 44.04 H new ATOM 0 HB3 PHE A 150 0.778 53.397 13.999 1.00 44.04 H new ATOM 0 HD1 PHE A 150 2.256 54.799 12.699 1.00 50.31 H new ATOM 0 HD2 PHE A 150 2.694 54.669 16.950 1.00 43.14 H new ATOM 0 HE1 PHE A 150 4.345 56.070 12.530 1.00 31.42 H new ATOM 0 HE2 PHE A 150 4.785 55.939 16.766 1.00 44.04 H new ATOM 0 HZ PHE A 150 5.611 56.644 14.559 1.00 52.35 H new ATOM 871 N SER A 151 -1.629 55.422 13.511 1.00 53.03 N ATOM 872 CA SER A 151 -2.101 56.325 12.440 1.00 45.14 C ATOM 873 C SER A 151 -3.109 57.364 12.988 1.00 64.30 C ATOM 874 O SER A 151 -3.105 58.522 12.552 1.00 0.02 O ATOM 875 CB SER A 151 -2.724 55.515 11.276 1.00 21.34 C ATOM 876 OG SER A 151 -3.804 54.711 11.717 1.00 24.45 O ATOM 0 H SER A 151 -2.158 54.553 13.587 1.00 53.03 H new ATOM 0 HA SER A 151 -1.238 56.869 12.056 1.00 45.14 H new ATOM 0 HB2 SER A 151 -3.072 56.199 10.502 1.00 21.34 H new ATOM 0 HB3 SER A 151 -1.961 54.883 10.823 1.00 21.34 H new ATOM 0 HG SER A 151 -3.862 54.749 12.695 1.00 24.45 H new ATOM 882 N MET A 152 -3.959 56.948 13.954 1.00 73.44 N ATOM 883 CA MET A 152 -5.051 57.801 14.491 1.00 20.53 C ATOM 884 C MET A 152 -4.561 58.710 15.638 1.00 50.51 C ATOM 885 O MET A 152 -4.762 59.931 15.597 1.00 23.22 O ATOM 886 CB MET A 152 -6.241 56.922 14.967 1.00 13.34 C ATOM 887 CG MET A 152 -6.914 56.105 13.850 1.00 24.32 C ATOM 888 SD MET A 152 -8.359 55.174 14.418 1.00 75.11 S ATOM 889 CE MET A 152 -7.653 54.092 15.668 1.00 42.02 C ATOM 0 H MET A 152 -3.911 56.023 14.381 1.00 73.44 H new ATOM 0 HA MET A 152 -5.388 58.449 13.682 1.00 20.53 H new ATOM 0 HB2 MET A 152 -5.886 56.238 15.738 1.00 13.34 H new ATOM 0 HB3 MET A 152 -6.989 57.565 15.431 1.00 13.34 H new ATOM 0 HG2 MET A 152 -7.216 56.778 13.048 1.00 24.32 H new ATOM 0 HG3 MET A 152 -6.187 55.412 13.427 1.00 24.32 H new ATOM 0 HE1 MET A 152 -7.999 53.072 15.504 1.00 42.02 H new ATOM 0 HE2 MET A 152 -6.565 54.121 15.602 1.00 42.02 H new ATOM 0 HE3 MET A 152 -7.966 54.426 16.657 1.00 42.02 H new ATOM 899 N THR A 153 -3.913 58.111 16.652 1.00 40.41 N ATOM 900 CA THR A 153 -3.448 58.841 17.856 1.00 10.42 C ATOM 901 C THR A 153 -1.973 59.247 17.707 1.00 12.42 C ATOM 902 O THR A 153 -1.523 60.225 18.320 1.00 4.23 O ATOM 903 CB THR A 153 -3.593 57.970 19.152 1.00 31.44 C ATOM 904 OG1 THR A 153 -2.724 56.827 19.074 1.00 42.21 O ATOM 905 CG2 THR A 153 -5.040 57.491 19.374 1.00 31.23 C ATOM 0 H THR A 153 -3.695 57.115 16.666 1.00 40.41 H new ATOM 0 HA THR A 153 -4.075 59.728 17.949 1.00 10.42 H new ATOM 0 HB THR A 153 -3.315 58.601 19.996 1.00 31.44 H new ATOM 0 HG1 THR A 153 -2.842 56.385 18.208 1.00 42.21 H new ATOM 0 HG21 THR A 153 -5.090 56.892 20.283 1.00 31.23 H new ATOM 0 HG22 THR A 153 -5.698 58.354 19.472 1.00 31.23 H new ATOM 0 HG23 THR A 153 -5.358 56.887 18.524 1.00 31.23 H new ATOM 913 N GLY A 154 -1.231 58.469 16.898 1.00 74.24 N ATOM 914 CA GLY A 154 0.212 58.654 16.730 1.00 51.12 C ATOM 915 C GLY A 154 1.027 57.874 17.752 1.00 65.43 C ATOM 916 O GLY A 154 2.257 57.949 17.758 1.00 12.14 O ATOM 0 H GLY A 154 -1.616 57.701 16.348 1.00 74.24 H new ATOM 0 HA2 GLY A 154 0.500 58.341 15.726 1.00 51.12 H new ATOM 0 HA3 GLY A 154 0.450 59.714 16.814 1.00 51.12 H new ATOM 920 N ASN A 155 0.330 57.110 18.609 1.00 34.00 N ATOM 921 CA ASN A 155 0.930 56.359 19.721 1.00 30.45 C ATOM 922 C ASN A 155 0.528 54.883 19.608 1.00 12.21 C ATOM 923 O ASN A 155 -0.660 54.570 19.472 1.00 61.11 O ATOM 924 CB ASN A 155 0.455 56.950 21.077 1.00 75.41 C ATOM 925 CG ASN A 155 0.935 58.387 21.314 1.00 55.01 C ATOM 926 OD1 ASN A 155 0.273 59.350 20.919 1.00 22.42 O ATOM 927 ND2 ASN A 155 2.088 58.542 21.956 1.00 42.54 N ATOM 0 H ASN A 155 -0.682 56.996 18.547 1.00 34.00 H new ATOM 0 HA ASN A 155 2.016 56.438 19.674 1.00 30.45 H new ATOM 0 HB2 ASN A 155 -0.634 56.927 21.114 1.00 75.41 H new ATOM 0 HB3 ASN A 155 0.814 56.316 21.888 1.00 75.41 H new ATOM 0 HD21 ASN A 155 2.450 59.479 22.135 1.00 42.54 H new ATOM 0 HD22 ASN A 155 2.611 57.724 22.270 1.00 42.54 H new ATOM 934 N CYS A 156 1.526 53.984 19.655 1.00 4.34 N ATOM 935 CA CYS A 156 1.317 52.527 19.568 1.00 53.13 C ATOM 936 C CYS A 156 1.882 51.857 20.834 1.00 2.22 C ATOM 937 O CYS A 156 3.068 52.015 21.146 1.00 31.32 O ATOM 938 CB CYS A 156 2.001 51.970 18.295 1.00 72.15 C ATOM 939 SG CYS A 156 1.778 50.179 18.007 1.00 1.41 S ATOM 0 H CYS A 156 2.506 54.248 19.755 1.00 4.34 H new ATOM 0 HA CYS A 156 0.251 52.310 19.502 1.00 53.13 H new ATOM 0 HB2 CYS A 156 1.617 52.511 17.430 1.00 72.15 H new ATOM 0 HB3 CYS A 156 3.069 52.181 18.354 1.00 72.15 H new ATOM 0 HG CYS A 156 1.024 49.998 16.964 1.00 1.41 H new ATOM 944 N LYS A 157 1.008 51.121 21.546 1.00 11.12 N ATOM 945 CA LYS A 157 1.317 50.416 22.813 1.00 4.31 C ATOM 946 C LYS A 157 2.522 49.470 22.665 1.00 21.41 C ATOM 947 O LYS A 157 3.487 49.539 23.436 1.00 62.45 O ATOM 948 CB LYS A 157 0.058 49.609 23.258 1.00 43.42 C ATOM 949 CG LYS A 157 0.253 48.696 24.492 1.00 13.34 C ATOM 950 CD LYS A 157 -1.043 47.954 24.894 1.00 11.21 C ATOM 951 CE LYS A 157 -0.866 47.087 26.152 1.00 65.22 C ATOM 952 NZ LYS A 157 -2.127 46.399 26.528 1.00 50.14 N ATOM 0 H LYS A 157 0.040 50.994 21.251 1.00 11.12 H new ATOM 0 HA LYS A 157 1.580 51.159 23.566 1.00 4.31 H new ATOM 0 HB2 LYS A 157 -0.746 50.313 23.472 1.00 43.42 H new ATOM 0 HB3 LYS A 157 -0.272 48.993 22.421 1.00 43.42 H new ATOM 0 HG2 LYS A 157 1.034 47.966 24.279 1.00 13.34 H new ATOM 0 HG3 LYS A 157 0.599 49.297 25.333 1.00 13.34 H new ATOM 0 HD2 LYS A 157 -1.834 48.683 25.069 1.00 11.21 H new ATOM 0 HD3 LYS A 157 -1.367 47.323 24.066 1.00 11.21 H new ATOM 0 HE2 LYS A 157 -0.086 46.346 25.976 1.00 65.22 H new ATOM 0 HE3 LYS A 157 -0.532 47.712 26.980 1.00 65.22 H new ATOM 0 HZ1 LYS A 157 -1.968 45.824 27.380 1.00 50.14 H new ATOM 0 HZ2 LYS A 157 -2.865 47.107 26.720 1.00 50.14 H new ATOM 0 HZ3 LYS A 157 -2.433 45.783 25.747 1.00 50.14 H new ATOM 966 N TYR A 158 2.440 48.609 21.646 1.00 64.31 N ATOM 967 CA TYR A 158 3.411 47.521 21.413 1.00 72.01 C ATOM 968 C TYR A 158 4.788 48.049 20.944 1.00 72.44 C ATOM 969 O TYR A 158 5.803 47.370 21.126 1.00 41.50 O ATOM 970 CB TYR A 158 2.840 46.523 20.383 1.00 45.02 C ATOM 971 CG TYR A 158 1.444 45.973 20.730 1.00 54.24 C ATOM 972 CD1 TYR A 158 1.260 45.078 21.790 1.00 54.02 C ATOM 973 CD2 TYR A 158 0.313 46.340 19.991 1.00 2.53 C ATOM 974 CE1 TYR A 158 0.009 44.574 22.094 1.00 23.02 C ATOM 975 CE2 TYR A 158 -0.938 45.840 20.295 1.00 63.25 C ATOM 976 CZ TYR A 158 -1.085 44.955 21.344 1.00 2.43 C ATOM 977 OH TYR A 158 -2.331 44.444 21.642 1.00 24.20 O ATOM 0 H TYR A 158 1.694 48.643 20.951 1.00 64.31 H new ATOM 0 HA TYR A 158 3.572 47.015 22.365 1.00 72.01 H new ATOM 0 HB2 TYR A 158 2.792 47.012 19.410 1.00 45.02 H new ATOM 0 HB3 TYR A 158 3.532 45.686 20.285 1.00 45.02 H new ATOM 0 HD1 TYR A 158 2.111 44.775 22.382 1.00 54.02 H new ATOM 0 HD2 TYR A 158 0.421 47.028 19.166 1.00 2.53 H new ATOM 0 HE1 TYR A 158 -0.112 43.884 22.916 1.00 23.02 H new ATOM 0 HE2 TYR A 158 -1.798 46.140 19.714 1.00 63.25 H new ATOM 0 HH TYR A 158 -2.993 44.813 21.021 1.00 24.20 H new ATOM 987 N GLY A 159 4.797 49.251 20.330 1.00 12.32 N ATOM 988 CA GLY A 159 6.034 49.906 19.884 1.00 30.43 C ATOM 989 C GLY A 159 6.720 49.178 18.731 1.00 33.21 C ATOM 990 O GLY A 159 6.138 49.044 17.655 1.00 44.13 O ATOM 0 H GLY A 159 3.952 49.787 20.133 1.00 12.32 H new ATOM 0 HA2 GLY A 159 5.806 50.926 19.576 1.00 30.43 H new ATOM 0 HA3 GLY A 159 6.725 49.973 20.724 1.00 30.43 H new ATOM 994 N THR A 160 7.956 48.697 18.961 1.00 73.11 N ATOM 995 CA THR A 160 8.725 47.945 17.949 1.00 64.11 C ATOM 996 C THR A 160 8.190 46.507 17.810 1.00 54.22 C ATOM 997 O THR A 160 8.250 45.914 16.723 1.00 3.22 O ATOM 998 CB THR A 160 10.251 47.929 18.296 1.00 12.12 C ATOM 999 OG1 THR A 160 10.447 47.467 19.642 1.00 54.33 O ATOM 1000 CG2 THR A 160 10.891 49.322 18.139 1.00 72.42 C ATOM 0 H THR A 160 8.448 48.817 19.847 1.00 73.11 H new ATOM 0 HA THR A 160 8.600 48.453 16.993 1.00 64.11 H new ATOM 0 HB THR A 160 10.736 47.251 17.594 1.00 12.12 H new ATOM 0 HG1 THR A 160 11.405 47.459 19.849 1.00 54.33 H new ATOM 0 HG21 THR A 160 11.950 49.266 18.390 1.00 72.42 H new ATOM 0 HG22 THR A 160 10.779 49.660 17.109 1.00 72.42 H new ATOM 0 HG23 THR A 160 10.397 50.027 18.808 1.00 72.42 H new ATOM 1008 N ARG A 161 7.638 45.968 18.923 1.00 40.22 N ATOM 1009 CA ARG A 161 6.999 44.627 18.949 1.00 43.24 C ATOM 1010 C ARG A 161 5.601 44.634 18.282 1.00 35.12 C ATOM 1011 O ARG A 161 4.937 43.591 18.228 1.00 1.12 O ATOM 1012 CB ARG A 161 6.897 44.092 20.407 1.00 21.41 C ATOM 1013 CG ARG A 161 8.244 43.695 21.048 1.00 71.44 C ATOM 1014 CD ARG A 161 8.068 43.053 22.439 1.00 10.41 C ATOM 1015 NE ARG A 161 9.347 42.596 23.017 1.00 74.41 N ATOM 1016 CZ ARG A 161 9.477 41.924 24.178 1.00 30.32 C ATOM 1017 NH1 ARG A 161 8.416 41.612 24.920 1.00 0.01 N ATOM 1018 NH2 ARG A 161 10.679 41.551 24.588 1.00 11.34 N ATOM 0 H ARG A 161 7.622 46.446 19.824 1.00 40.22 H new ATOM 0 HA ARG A 161 7.637 43.959 18.370 1.00 43.24 H new ATOM 0 HB2 ARG A 161 6.427 44.856 21.027 1.00 21.41 H new ATOM 0 HB3 ARG A 161 6.237 43.224 20.415 1.00 21.41 H new ATOM 0 HG2 ARG A 161 8.763 42.997 20.392 1.00 71.44 H new ATOM 0 HG3 ARG A 161 8.875 44.579 21.136 1.00 71.44 H new ATOM 0 HD2 ARG A 161 7.606 43.775 23.113 1.00 10.41 H new ATOM 0 HD3 ARG A 161 7.385 42.207 22.361 1.00 10.41 H new ATOM 0 HE ARG A 161 10.199 42.805 22.497 1.00 74.41 H new ATOM 0 HH11 ARG A 161 7.482 41.882 24.613 1.00 0.01 H new ATOM 0 HH12 ARG A 161 8.538 41.103 25.795 1.00 0.01 H new ATOM 0 HH21 ARG A 161 11.501 41.772 24.026 1.00 11.34 H new ATOM 0 HH22 ARG A 161 10.783 41.042 25.466 1.00 11.34 H new ATOM 1032 N CYS A 162 5.161 45.813 17.795 1.00 23.10 N ATOM 1033 CA CYS A 162 3.930 45.946 17.002 1.00 30.00 C ATOM 1034 C CYS A 162 4.067 45.160 15.694 1.00 53.50 C ATOM 1035 O CYS A 162 4.983 45.408 14.910 1.00 21.02 O ATOM 1036 CB CYS A 162 3.637 47.434 16.720 1.00 34.02 C ATOM 1037 SG CYS A 162 2.138 47.770 15.737 1.00 42.32 S ATOM 0 H CYS A 162 5.651 46.695 17.942 1.00 23.10 H new ATOM 0 HA CYS A 162 3.093 45.536 17.567 1.00 30.00 H new ATOM 0 HB2 CYS A 162 3.549 47.955 17.673 1.00 34.02 H new ATOM 0 HB3 CYS A 162 4.494 47.862 16.200 1.00 34.02 H new ATOM 0 HG CYS A 162 2.471 47.995 14.501 1.00 42.32 H new ATOM 1042 N GLN A 163 3.142 44.215 15.483 1.00 35.01 N ATOM 1043 CA GLN A 163 3.121 43.327 14.302 1.00 53.22 C ATOM 1044 C GLN A 163 2.492 44.024 13.070 1.00 14.42 C ATOM 1045 O GLN A 163 2.218 43.376 12.055 1.00 12.13 O ATOM 1046 CB GLN A 163 2.344 42.032 14.667 1.00 52.32 C ATOM 1047 CG GLN A 163 0.874 42.264 15.068 1.00 40.24 C ATOM 1048 CD GLN A 163 0.185 41.017 15.615 1.00 21.22 C ATOM 1049 OE1 GLN A 163 -0.403 40.236 14.866 1.00 35.14 O ATOM 1050 NE2 GLN A 163 0.253 40.817 16.925 1.00 22.22 N ATOM 0 H GLN A 163 2.376 44.039 16.133 1.00 35.01 H new ATOM 0 HA GLN A 163 4.146 43.077 14.028 1.00 53.22 H new ATOM 0 HB2 GLN A 163 2.373 41.353 13.815 1.00 52.32 H new ATOM 0 HB3 GLN A 163 2.858 41.534 15.489 1.00 52.32 H new ATOM 0 HG2 GLN A 163 0.831 43.052 15.820 1.00 40.24 H new ATOM 0 HG3 GLN A 163 0.322 42.623 14.199 1.00 40.24 H new ATOM 0 HE21 GLN A 163 0.748 41.483 17.518 1.00 22.22 H new ATOM 0 HE22 GLN A 163 -0.190 39.997 17.339 1.00 22.22 H new ATOM 1059 N PHE A 164 2.301 45.354 13.165 1.00 11.14 N ATOM 1060 CA PHE A 164 1.634 46.174 12.149 1.00 3.42 C ATOM 1061 C PHE A 164 2.581 47.289 11.653 1.00 33.21 C ATOM 1062 O PHE A 164 3.427 47.775 12.418 1.00 61.32 O ATOM 1063 CB PHE A 164 0.348 46.796 12.743 1.00 24.45 C ATOM 1064 CG PHE A 164 -0.635 45.790 13.343 1.00 73.14 C ATOM 1065 CD1 PHE A 164 -1.335 44.904 12.526 1.00 5.04 C ATOM 1066 CD2 PHE A 164 -0.870 45.743 14.721 1.00 61.25 C ATOM 1067 CE1 PHE A 164 -2.238 44.005 13.062 1.00 11.44 C ATOM 1068 CE2 PHE A 164 -1.771 44.844 15.256 1.00 11.35 C ATOM 1069 CZ PHE A 164 -2.456 43.975 14.427 1.00 71.14 C ATOM 0 H PHE A 164 2.615 45.895 13.970 1.00 11.14 H new ATOM 0 HA PHE A 164 1.369 45.541 11.302 1.00 3.42 H new ATOM 0 HB2 PHE A 164 0.631 47.511 13.516 1.00 24.45 H new ATOM 0 HB3 PHE A 164 -0.162 47.358 11.960 1.00 24.45 H new ATOM 0 HD1 PHE A 164 -1.170 44.920 11.459 1.00 5.04 H new ATOM 0 HD2 PHE A 164 -0.340 46.419 15.375 1.00 61.25 H new ATOM 0 HE1 PHE A 164 -2.773 43.326 12.415 1.00 11.44 H new ATOM 0 HE2 PHE A 164 -1.941 44.820 16.322 1.00 11.35 H new ATOM 0 HZ PHE A 164 -3.161 43.273 14.846 1.00 71.14 H new ATOM 1079 N ILE A 165 2.418 47.685 10.374 1.00 2.20 N ATOM 1080 CA ILE A 165 3.249 48.715 9.718 1.00 1.30 C ATOM 1081 C ILE A 165 2.973 50.103 10.332 1.00 63.33 C ATOM 1082 O ILE A 165 1.827 50.579 10.321 1.00 50.44 O ATOM 1083 CB ILE A 165 2.978 48.799 8.162 1.00 30.42 C ATOM 1084 CG1 ILE A 165 2.991 47.387 7.504 1.00 41.22 C ATOM 1085 CG2 ILE A 165 4.010 49.733 7.474 1.00 20.00 C ATOM 1086 CD1 ILE A 165 2.671 47.373 6.014 1.00 74.20 C ATOM 0 H ILE A 165 1.700 47.296 9.763 1.00 2.20 H new ATOM 0 HA ILE A 165 4.287 48.424 9.879 1.00 1.30 H new ATOM 0 HB ILE A 165 1.983 49.221 8.023 1.00 30.42 H new ATOM 0 HG12 ILE A 165 3.974 46.941 7.654 1.00 41.22 H new ATOM 0 HG13 ILE A 165 2.271 46.754 8.022 1.00 41.22 H new ATOM 0 HG21 ILE A 165 3.805 49.776 6.404 1.00 20.00 H new ATOM 0 HG22 ILE A 165 3.935 50.734 7.899 1.00 20.00 H new ATOM 0 HG23 ILE A 165 5.016 49.345 7.635 1.00 20.00 H new ATOM 0 HD11 ILE A 165 2.704 46.348 5.644 1.00 74.20 H new ATOM 0 HD12 ILE A 165 1.675 47.786 5.852 1.00 74.20 H new ATOM 0 HD13 ILE A 165 3.405 47.975 5.479 1.00 74.20 H new ATOM 1098 N HIS A 166 4.025 50.734 10.870 1.00 21.14 N ATOM 1099 CA HIS A 166 3.968 52.113 11.371 1.00 35.01 C ATOM 1100 C HIS A 166 4.219 53.119 10.234 1.00 4.11 C ATOM 1101 O HIS A 166 5.362 53.345 9.828 1.00 62.04 O ATOM 1102 CB HIS A 166 4.972 52.318 12.542 1.00 44.23 C ATOM 1103 CG HIS A 166 4.586 51.626 13.827 1.00 34.23 C ATOM 1104 ND1 HIS A 166 5.275 51.772 15.008 1.00 62.34 N ATOM 1105 CD2 HIS A 166 3.500 50.864 14.126 1.00 15.21 C ATOM 1106 CE1 HIS A 166 4.601 51.128 15.962 1.00 10.54 C ATOM 1107 NE2 HIS A 166 3.506 50.556 15.480 1.00 60.11 N ATOM 0 H HIS A 166 4.943 50.300 10.970 1.00 21.14 H new ATOM 0 HA HIS A 166 2.966 52.295 11.759 1.00 35.01 H new ATOM 0 HB2 HIS A 166 5.952 51.957 12.230 1.00 44.23 H new ATOM 0 HB3 HIS A 166 5.072 53.386 12.735 1.00 44.23 H new ATOM 0 HD2 HIS A 166 2.748 50.547 13.419 1.00 15.21 H new ATOM 0 HE1 HIS A 166 4.908 51.079 16.996 1.00 10.54 H new ATOM 0 HE2 HIS A 166 2.816 50.008 15.994 1.00 60.11 H new ATOM 1115 N LYS A 167 3.118 53.677 9.698 1.00 3.41 N ATOM 1116 CA LYS A 167 3.150 54.757 8.698 1.00 42.21 C ATOM 1117 C LYS A 167 2.510 56.021 9.293 1.00 54.30 C ATOM 1118 O LYS A 167 1.324 56.009 9.658 1.00 50.14 O ATOM 1119 CB LYS A 167 2.387 54.337 7.410 1.00 72.04 C ATOM 1120 CG LYS A 167 3.009 53.159 6.630 1.00 24.24 C ATOM 1121 CD LYS A 167 4.399 53.477 6.017 1.00 44.22 C ATOM 1122 CE LYS A 167 4.354 54.604 4.967 1.00 4.04 C ATOM 1123 NZ LYS A 167 5.684 54.840 4.339 1.00 25.21 N ATOM 0 H LYS A 167 2.173 53.387 9.950 1.00 3.41 H new ATOM 0 HA LYS A 167 4.188 54.959 8.432 1.00 42.21 H new ATOM 0 HB2 LYS A 167 1.366 54.072 7.683 1.00 72.04 H new ATOM 0 HB3 LYS A 167 2.326 55.199 6.746 1.00 72.04 H new ATOM 0 HG2 LYS A 167 3.104 52.303 7.298 1.00 24.24 H new ATOM 0 HG3 LYS A 167 2.329 52.865 5.831 1.00 24.24 H new ATOM 0 HD2 LYS A 167 5.085 53.760 6.815 1.00 44.22 H new ATOM 0 HD3 LYS A 167 4.801 52.575 5.556 1.00 44.22 H new ATOM 0 HE2 LYS A 167 3.629 54.350 4.194 1.00 4.04 H new ATOM 0 HE3 LYS A 167 4.008 55.524 5.438 1.00 4.04 H new ATOM 0 HZ1 LYS A 167 5.607 55.606 3.640 1.00 25.21 H new ATOM 0 HZ2 LYS A 167 6.371 55.108 5.072 1.00 25.21 H new ATOM 0 HZ3 LYS A 167 6.004 53.971 3.866 1.00 25.21 H new