USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 816 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 29 TYR OH : rot -164:sc= 1.22 USER MOD Set 1.2: A 97 THR OG1 : rot 30:sc= 0.536 USER MOD Set 2.1: A 86 TYR OH : rot -83:sc= 0.461 USER MOD Set 2.2: A 90 GLN : amide:sc= 0.386 K(o=0.85,f=-0.25) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 161:sc= -0.0335 (180deg=-0.262) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0.135 X(o=0.13,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.891 K(o=-0.89,f=-9!) USER MOD Single : A 38 SER OG : rot 180:sc= -0.0927 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.642 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -0.0669 USER MOD Single : A 59 GLN : amide:sc= -0.0216 X(o=-0.022,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.0257 X(o=-0.026,f=0) USER MOD Single : A 67 SER OG : rot -52:sc= 0.0528 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.135 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= -0.0228 USER MOD Single : A 80 ASN : amide:sc= -0.645 K(o=-0.65,f=-2.7!) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -140:sc= -0.13 USER MOD Single : A 89 HIS : no HD1:sc= -0.0601 K(o=0.38,f=-4.6!) USER MOD Single : A 95 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0496) USER MOD Single : A 98 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.137) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N VAL A 7 13.879 -2.244 4.668 1.00 73.43 N ATOM 64 CA VAL A 7 14.678 -3.431 4.387 1.00 33.42 C ATOM 65 C VAL A 7 14.216 -4.617 5.227 1.00 2.21 C ATOM 66 O VAL A 7 13.891 -5.679 4.694 1.00 75.23 O ATOM 67 CB VAL A 7 16.173 -3.177 4.656 1.00 43.43 C ATOM 68 CG1 VAL A 7 16.985 -4.435 4.385 1.00 4.22 C ATOM 69 CG2 VAL A 7 16.676 -2.016 3.811 1.00 33.41 C ATOM 0 HA VAL A 7 14.540 -3.662 3.331 1.00 33.42 H new ATOM 0 HB VAL A 7 16.296 -2.913 5.706 1.00 43.43 H new ATOM 0 HG11 VAL A 7 18.039 -4.237 4.580 1.00 4.22 H new ATOM 0 HG12 VAL A 7 16.640 -5.238 5.036 1.00 4.22 H new ATOM 0 HG13 VAL A 7 16.859 -4.732 3.344 1.00 4.22 H new ATOM 0 HG21 VAL A 7 17.734 -1.850 4.014 1.00 33.41 H new ATOM 0 HG22 VAL A 7 16.541 -2.249 2.755 1.00 33.41 H new ATOM 0 HG23 VAL A 7 16.114 -1.116 4.058 1.00 33.41 H new ATOM 79 N LEU A 8 14.189 -4.429 6.542 1.00 13.44 N ATOM 80 CA LEU A 8 13.765 -5.483 7.456 1.00 62.31 C ATOM 81 C LEU A 8 12.520 -5.065 8.230 1.00 34.22 C ATOM 82 O LEU A 8 12.486 -3.999 8.845 1.00 4.35 O ATOM 83 CB LEU A 8 14.894 -5.823 8.431 1.00 50.42 C ATOM 84 CG LEU A 8 16.128 -6.490 7.822 1.00 62.14 C ATOM 85 CD1 LEU A 8 17.130 -6.851 8.907 1.00 61.33 C ATOM 86 CD2 LEU A 8 15.729 -7.728 7.030 1.00 23.04 C ATOM 0 H LEU A 8 14.456 -3.557 6.999 1.00 13.44 H new ATOM 0 HA LEU A 8 13.523 -6.367 6.865 1.00 62.31 H new ATOM 0 HB2 LEU A 8 15.209 -4.904 8.926 1.00 50.42 H new ATOM 0 HB3 LEU A 8 14.494 -6.480 9.204 1.00 50.42 H new ATOM 0 HG LEU A 8 16.600 -5.783 7.140 1.00 62.14 H new ATOM 0 HD11 LEU A 8 18.001 -7.325 8.455 1.00 61.33 H new ATOM 0 HD12 LEU A 8 17.440 -5.947 9.432 1.00 61.33 H new ATOM 0 HD13 LEU A 8 16.668 -7.541 9.614 1.00 61.33 H new ATOM 0 HD21 LEU A 8 16.620 -8.190 6.604 1.00 23.04 H new ATOM 0 HD22 LEU A 8 15.233 -8.439 7.691 1.00 23.04 H new ATOM 0 HD23 LEU A 8 15.049 -7.443 6.228 1.00 23.04 H new ATOM 98 N SER A 9 11.496 -5.913 8.197 1.00 3.32 N ATOM 99 CA SER A 9 10.247 -5.631 8.894 1.00 22.44 C ATOM 100 C SER A 9 10.415 -5.799 10.400 1.00 23.42 C ATOM 101 O SER A 9 11.493 -6.148 10.881 1.00 13.21 O ATOM 102 CB SER A 9 9.135 -6.552 8.386 1.00 64.42 C ATOM 103 OG SER A 9 9.013 -7.701 9.205 1.00 70.33 O ATOM 0 H SER A 9 11.507 -6.801 7.695 1.00 3.32 H new ATOM 0 HA SER A 9 9.972 -4.596 8.691 1.00 22.44 H new ATOM 0 HB2 SER A 9 8.189 -6.011 8.370 1.00 64.42 H new ATOM 0 HB3 SER A 9 9.348 -6.853 7.360 1.00 64.42 H new ATOM 0 HG SER A 9 8.295 -8.273 8.861 1.00 70.33 H new ATOM 109 N GLY A 10 9.340 -5.549 11.143 1.00 0.53 N ATOM 110 CA GLY A 10 9.388 -5.678 12.587 1.00 30.24 C ATOM 111 C GLY A 10 9.950 -7.013 13.031 1.00 43.23 C ATOM 112 O GLY A 10 10.818 -7.071 13.901 1.00 21.55 O ATOM 0 H GLY A 10 8.436 -5.259 10.769 1.00 0.53 H new ATOM 0 HA2 GLY A 10 9.998 -4.875 13.000 1.00 30.24 H new ATOM 0 HA3 GLY A 10 8.384 -5.557 12.993 1.00 30.24 H new ATOM 116 N GLY A 11 9.455 -8.092 12.432 1.00 32.32 N ATOM 117 CA GLY A 11 9.924 -9.419 12.786 1.00 1.42 C ATOM 118 C GLY A 11 11.381 -9.633 12.426 1.00 13.51 C ATOM 119 O GLY A 11 12.165 -10.105 13.248 1.00 5.14 O ATOM 0 H GLY A 11 8.737 -8.071 11.708 1.00 32.32 H new ATOM 0 HA2 GLY A 11 9.791 -9.575 13.857 1.00 1.42 H new ATOM 0 HA3 GLY A 11 9.314 -10.165 12.277 1.00 1.42 H new ATOM 123 N GLU A 12 11.741 -9.289 11.194 1.00 42.21 N ATOM 124 CA GLU A 12 13.113 -9.450 10.727 1.00 24.43 C ATOM 125 C GLU A 12 14.073 -8.599 11.555 1.00 53.21 C ATOM 126 O GLU A 12 15.223 -8.978 11.777 1.00 60.44 O ATOM 127 CB GLU A 12 13.221 -9.067 9.250 1.00 43.20 C ATOM 128 CG GLU A 12 12.125 -9.665 8.384 1.00 11.10 C ATOM 129 CD GLU A 12 12.340 -9.403 6.906 1.00 10.02 C ATOM 130 OE1 GLU A 12 12.154 -8.245 6.477 1.00 15.30 O ATOM 131 OE2 GLU A 12 12.693 -10.355 6.180 1.00 50.20 O ATOM 0 H GLU A 12 11.103 -8.897 10.502 1.00 42.21 H new ATOM 0 HA GLU A 12 13.389 -10.498 10.845 1.00 24.43 H new ATOM 0 HB2 GLU A 12 13.190 -7.981 9.162 1.00 43.20 H new ATOM 0 HB3 GLU A 12 14.190 -9.390 8.870 1.00 43.20 H new ATOM 0 HG2 GLU A 12 12.078 -10.740 8.555 1.00 11.10 H new ATOM 0 HG3 GLU A 12 11.163 -9.252 8.686 1.00 11.10 H new ATOM 138 N LEU A 13 13.591 -7.447 12.008 1.00 23.12 N ATOM 139 CA LEU A 13 14.406 -6.540 12.811 1.00 75.44 C ATOM 140 C LEU A 13 14.704 -7.146 14.180 1.00 42.23 C ATOM 141 O LEU A 13 15.828 -7.061 14.674 1.00 23.40 O ATOM 142 CB LEU A 13 13.693 -5.197 12.980 1.00 62.35 C ATOM 143 CG LEU A 13 14.596 -3.973 13.131 1.00 51.11 C ATOM 144 CD1 LEU A 13 15.632 -4.204 14.221 1.00 54.40 C ATOM 145 CD2 LEU A 13 15.274 -3.645 11.808 1.00 63.25 C ATOM 0 H LEU A 13 12.641 -7.118 11.834 1.00 23.12 H new ATOM 0 HA LEU A 13 15.350 -6.380 12.290 1.00 75.44 H new ATOM 0 HB2 LEU A 13 13.045 -5.041 12.118 1.00 62.35 H new ATOM 0 HB3 LEU A 13 13.048 -5.258 13.857 1.00 62.35 H new ATOM 0 HG LEU A 13 13.978 -3.123 13.421 1.00 51.11 H new ATOM 0 HD11 LEU A 13 16.265 -3.322 14.314 1.00 54.40 H new ATOM 0 HD12 LEU A 13 15.127 -4.390 15.169 1.00 54.40 H new ATOM 0 HD13 LEU A 13 16.246 -5.066 13.962 1.00 54.40 H new ATOM 0 HD21 LEU A 13 15.913 -2.771 11.934 1.00 63.25 H new ATOM 0 HD22 LEU A 13 15.879 -4.494 11.489 1.00 63.25 H new ATOM 0 HD23 LEU A 13 14.516 -3.435 11.053 1.00 63.25 H new ATOM 157 N ASP A 14 13.693 -7.758 14.784 1.00 34.11 N ATOM 158 CA ASP A 14 13.847 -8.381 16.094 1.00 3.22 C ATOM 159 C ASP A 14 14.927 -9.458 16.059 1.00 1.35 C ATOM 160 O ASP A 14 15.806 -9.501 16.920 1.00 32.03 O ATOM 161 CB ASP A 14 12.520 -8.986 16.556 1.00 4.34 C ATOM 162 CG ASP A 14 12.250 -8.733 18.026 1.00 13.33 C ATOM 163 OD1 ASP A 14 13.050 -9.195 18.864 1.00 73.14 O ATOM 164 OD2 ASP A 14 11.236 -8.072 18.336 1.00 40.22 O ATOM 0 H ASP A 14 12.756 -7.837 14.388 1.00 34.11 H new ATOM 0 HA ASP A 14 14.150 -7.610 16.802 1.00 3.22 H new ATOM 0 HB2 ASP A 14 11.707 -8.567 15.963 1.00 4.34 H new ATOM 0 HB3 ASP A 14 12.530 -10.060 16.371 1.00 4.34 H new ATOM 169 N LYS A 15 14.854 -10.328 15.057 1.00 65.21 N ATOM 170 CA LYS A 15 15.824 -11.407 14.908 1.00 62.31 C ATOM 171 C LYS A 15 17.171 -10.866 14.436 1.00 74.43 C ATOM 172 O LYS A 15 18.224 -11.326 14.878 1.00 12.24 O ATOM 173 CB LYS A 15 15.307 -12.453 13.919 1.00 1.33 C ATOM 174 CG LYS A 15 14.137 -13.264 14.447 1.00 31.52 C ATOM 175 CD LYS A 15 13.009 -13.343 13.432 1.00 72.20 C ATOM 176 CE LYS A 15 11.647 -13.314 14.108 1.00 72.34 C ATOM 177 NZ LYS A 15 11.299 -14.631 14.711 1.00 54.02 N ATOM 0 H LYS A 15 14.133 -10.307 14.336 1.00 65.21 H new ATOM 0 HA LYS A 15 15.962 -11.875 15.883 1.00 62.31 H new ATOM 0 HB2 LYS A 15 15.005 -11.953 12.999 1.00 1.33 H new ATOM 0 HB3 LYS A 15 16.121 -13.131 13.661 1.00 1.33 H new ATOM 0 HG2 LYS A 15 14.474 -14.270 14.697 1.00 31.52 H new ATOM 0 HG3 LYS A 15 13.768 -12.814 15.368 1.00 31.52 H new ATOM 0 HD2 LYS A 15 13.088 -12.510 12.734 1.00 72.20 H new ATOM 0 HD3 LYS A 15 13.107 -14.258 12.848 1.00 72.20 H new ATOM 0 HE2 LYS A 15 11.642 -12.547 14.883 1.00 72.34 H new ATOM 0 HE3 LYS A 15 10.886 -13.036 13.379 1.00 72.34 H new ATOM 0 HZ1 LYS A 15 10.364 -14.570 15.162 1.00 54.02 H new ATOM 0 HZ2 LYS A 15 11.278 -15.358 13.968 1.00 54.02 H new ATOM 0 HZ3 LYS A 15 12.011 -14.885 15.425 1.00 54.02 H new ATOM 191 N TRP A 16 17.128 -9.889 13.538 1.00 33.22 N ATOM 192 CA TRP A 16 18.344 -9.285 13.007 1.00 3.11 C ATOM 193 C TRP A 16 19.215 -8.735 14.132 1.00 32.12 C ATOM 194 O TRP A 16 20.440 -8.827 14.081 1.00 4.15 O ATOM 195 CB TRP A 16 17.996 -8.168 12.022 1.00 2.20 C ATOM 196 CG TRP A 16 19.201 -7.472 11.464 1.00 20.40 C ATOM 197 CD1 TRP A 16 19.728 -6.284 11.884 1.00 15.32 C ATOM 198 CD2 TRP A 16 20.026 -7.919 10.383 1.00 42.23 C ATOM 199 NE1 TRP A 16 20.831 -5.967 11.129 1.00 21.14 N ATOM 200 CE2 TRP A 16 21.035 -6.954 10.202 1.00 41.11 C ATOM 201 CE3 TRP A 16 20.012 -9.043 9.553 1.00 51.33 C ATOM 202 CZ2 TRP A 16 22.018 -7.080 9.224 1.00 10.24 C ATOM 203 CZ3 TRP A 16 20.988 -9.166 8.581 1.00 73.23 C ATOM 204 CH2 TRP A 16 21.980 -8.189 8.424 1.00 61.35 C ATOM 0 H TRP A 16 16.264 -9.498 13.162 1.00 33.22 H new ATOM 0 HA TRP A 16 18.905 -10.059 12.483 1.00 3.11 H new ATOM 0 HB2 TRP A 16 17.414 -8.586 11.201 1.00 2.20 H new ATOM 0 HB3 TRP A 16 17.362 -7.436 12.523 1.00 2.20 H new ATOM 0 HD1 TRP A 16 19.335 -5.683 12.691 1.00 15.32 H new ATOM 0 HE1 TRP A 16 21.405 -5.131 11.241 1.00 21.14 H new ATOM 0 HE3 TRP A 16 19.253 -9.802 9.669 1.00 51.33 H new ATOM 0 HZ2 TRP A 16 22.784 -6.328 9.101 1.00 10.24 H new ATOM 0 HZ3 TRP A 16 20.986 -10.029 7.932 1.00 73.23 H new ATOM 0 HH2 TRP A 16 22.729 -8.314 7.656 1.00 61.35 H new ATOM 215 N GLU A 17 18.572 -8.165 15.146 1.00 20.03 N ATOM 216 CA GLU A 17 19.290 -7.599 16.283 1.00 1.11 C ATOM 217 C GLU A 17 19.738 -8.697 17.244 1.00 14.22 C ATOM 218 O GLU A 17 20.476 -8.442 18.196 1.00 15.43 O ATOM 219 CB GLU A 17 18.409 -6.589 17.020 1.00 15.15 C ATOM 220 CG GLU A 17 18.270 -5.260 16.297 1.00 21.30 C ATOM 221 CD GLU A 17 17.757 -4.155 17.199 1.00 24.52 C ATOM 222 OE1 GLU A 17 17.112 -4.474 18.221 1.00 25.23 O ATOM 223 OE2 GLU A 17 18.002 -2.972 16.885 1.00 30.14 O ATOM 0 H GLU A 17 17.557 -8.083 15.204 1.00 20.03 H new ATOM 0 HA GLU A 17 20.175 -7.088 15.904 1.00 1.11 H new ATOM 0 HB2 GLU A 17 17.418 -7.020 17.163 1.00 15.15 H new ATOM 0 HB3 GLU A 17 18.826 -6.412 18.011 1.00 15.15 H new ATOM 0 HG2 GLU A 17 19.238 -4.970 15.889 1.00 21.30 H new ATOM 0 HG3 GLU A 17 17.591 -5.379 15.453 1.00 21.30 H new ATOM 230 N LYS A 18 19.285 -9.920 16.988 1.00 32.02 N ATOM 231 CA LYS A 18 19.639 -11.058 17.829 1.00 15.21 C ATOM 232 C LYS A 18 20.814 -11.829 17.235 1.00 33.15 C ATOM 233 O LYS A 18 21.663 -12.341 17.964 1.00 3.12 O ATOM 234 CB LYS A 18 18.435 -11.989 17.993 1.00 41.05 C ATOM 235 CG LYS A 18 17.977 -12.143 19.433 1.00 61.42 C ATOM 236 CD LYS A 18 16.463 -12.101 19.545 1.00 14.42 C ATOM 237 CE LYS A 18 16.015 -11.864 20.978 1.00 50.22 C ATOM 238 NZ LYS A 18 16.329 -10.483 21.437 1.00 42.31 N ATOM 0 H LYS A 18 18.672 -10.148 16.205 1.00 32.02 H new ATOM 0 HA LYS A 18 19.934 -10.678 18.807 1.00 15.21 H new ATOM 0 HB2 LYS A 18 17.607 -11.607 17.396 1.00 41.05 H new ATOM 0 HB3 LYS A 18 18.689 -12.971 17.594 1.00 41.05 H new ATOM 0 HG2 LYS A 18 18.346 -13.087 19.834 1.00 61.42 H new ATOM 0 HG3 LYS A 18 18.410 -11.348 20.040 1.00 61.42 H new ATOM 0 HD2 LYS A 18 16.072 -11.310 18.905 1.00 14.42 H new ATOM 0 HD3 LYS A 18 16.044 -13.040 19.183 1.00 14.42 H new ATOM 0 HE2 LYS A 18 14.942 -12.037 21.056 1.00 50.22 H new ATOM 0 HE3 LYS A 18 16.503 -12.584 21.635 1.00 50.22 H new ATOM 0 HZ1 LYS A 18 15.745 -10.251 22.266 1.00 42.31 H new ATOM 0 HZ2 LYS A 18 17.335 -10.423 21.695 1.00 42.31 H new ATOM 0 HZ3 LYS A 18 16.127 -9.808 20.672 1.00 42.31 H new ATOM 252 N ILE A 19 20.856 -11.905 15.909 1.00 12.11 N ATOM 253 CA ILE A 19 21.928 -12.610 15.220 1.00 52.44 C ATOM 254 C ILE A 19 23.287 -11.996 15.540 1.00 74.42 C ATOM 255 O ILE A 19 23.503 -10.802 15.333 1.00 3.45 O ATOM 256 CB ILE A 19 21.720 -12.599 13.693 1.00 34.53 C ATOM 257 CG1 ILE A 19 20.381 -13.248 13.335 1.00 1.25 C ATOM 258 CG2 ILE A 19 22.866 -13.317 12.996 1.00 22.52 C ATOM 259 CD1 ILE A 19 19.877 -12.872 11.959 1.00 1.14 C ATOM 0 H ILE A 19 20.160 -11.487 15.291 1.00 12.11 H new ATOM 0 HA ILE A 19 21.905 -13.640 15.575 1.00 52.44 H new ATOM 0 HB ILE A 19 21.705 -11.564 13.351 1.00 34.53 H new ATOM 0 HG12 ILE A 19 20.485 -14.332 13.392 1.00 1.25 H new ATOM 0 HG13 ILE A 19 19.637 -12.960 14.077 1.00 1.25 H new ATOM 0 HG21 ILE A 19 22.704 -13.300 11.918 1.00 22.52 H new ATOM 0 HG22 ILE A 19 23.805 -12.816 13.230 1.00 22.52 H new ATOM 0 HG23 ILE A 19 22.911 -14.350 13.340 1.00 22.52 H new ATOM 0 HD11 ILE A 19 18.924 -13.368 11.772 1.00 1.14 H new ATOM 0 HD12 ILE A 19 19.741 -11.792 11.904 1.00 1.14 H new ATOM 0 HD13 ILE A 19 20.602 -13.185 11.208 1.00 1.14 H new ATOM 271 N ARG A 20 24.198 -12.820 16.046 1.00 22.41 N ATOM 272 CA ARG A 20 25.536 -12.357 16.395 1.00 11.11 C ATOM 273 C ARG A 20 26.482 -12.483 15.205 1.00 20.11 C ATOM 274 O ARG A 20 26.404 -13.440 14.434 1.00 1.01 O ATOM 275 CB ARG A 20 26.081 -13.156 17.580 1.00 50.14 C ATOM 276 CG ARG A 20 25.267 -12.990 18.853 1.00 65.01 C ATOM 277 CD ARG A 20 24.491 -14.255 19.187 1.00 14.43 C ATOM 278 NE ARG A 20 25.366 -15.329 19.647 1.00 41.01 N ATOM 279 CZ ARG A 20 25.859 -15.398 20.879 1.00 3.35 C ATOM 280 NH1 ARG A 20 25.564 -14.459 21.767 1.00 72.44 N ATOM 281 NH2 ARG A 20 26.650 -16.406 21.223 1.00 73.11 N ATOM 0 H ARG A 20 24.035 -13.811 16.224 1.00 22.41 H new ATOM 0 HA ARG A 20 25.469 -11.305 16.674 1.00 11.11 H new ATOM 0 HB2 ARG A 20 26.110 -14.212 17.313 1.00 50.14 H new ATOM 0 HB3 ARG A 20 27.109 -12.848 17.773 1.00 50.14 H new ATOM 0 HG2 ARG A 20 25.931 -12.740 19.681 1.00 65.01 H new ATOM 0 HG3 ARG A 20 24.574 -12.157 18.737 1.00 65.01 H new ATOM 0 HD2 ARG A 20 23.752 -14.034 19.958 1.00 14.43 H new ATOM 0 HD3 ARG A 20 23.942 -14.587 18.306 1.00 14.43 H new ATOM 0 HE ARG A 20 25.612 -16.067 18.987 1.00 41.01 H new ATOM 0 HH11 ARG A 20 24.958 -13.682 21.505 1.00 72.44 H new ATOM 0 HH12 ARG A 20 25.943 -14.514 22.712 1.00 72.44 H new ATOM 0 HH21 ARG A 20 26.880 -17.129 20.541 1.00 73.11 H new ATOM 0 HH22 ARG A 20 27.028 -16.458 22.169 1.00 73.11 H new ATOM 295 N LEU A 21 27.375 -11.509 15.060 1.00 72.22 N ATOM 296 CA LEU A 21 28.337 -11.509 13.964 1.00 53.33 C ATOM 297 C LEU A 21 29.163 -12.792 13.964 1.00 13.34 C ATOM 298 O LEU A 21 29.637 -13.238 12.919 1.00 13.13 O ATOM 299 CB LEU A 21 29.260 -10.295 14.069 1.00 54.12 C ATOM 300 CG LEU A 21 28.575 -8.928 14.064 1.00 14.13 C ATOM 301 CD1 LEU A 21 29.571 -7.830 14.404 1.00 35.43 C ATOM 302 CD2 LEU A 21 27.926 -8.662 12.713 1.00 22.24 C ATOM 0 H LEU A 21 27.452 -10.709 15.688 1.00 72.22 H new ATOM 0 HA LEU A 21 27.783 -11.456 13.027 1.00 53.33 H new ATOM 0 HB2 LEU A 21 29.841 -10.384 14.987 1.00 54.12 H new ATOM 0 HB3 LEU A 21 29.966 -10.328 13.240 1.00 54.12 H new ATOM 0 HG LEU A 21 27.795 -8.931 14.826 1.00 14.13 H new ATOM 0 HD11 LEU A 21 29.065 -6.865 14.396 1.00 35.43 H new ATOM 0 HD12 LEU A 21 29.989 -8.012 15.394 1.00 35.43 H new ATOM 0 HD13 LEU A 21 30.374 -7.826 13.666 1.00 35.43 H new ATOM 0 HD21 LEU A 21 27.443 -7.685 12.727 1.00 22.24 H new ATOM 0 HD22 LEU A 21 28.688 -8.679 11.934 1.00 22.24 H new ATOM 0 HD23 LEU A 21 27.181 -9.432 12.509 1.00 22.24 H new ATOM 314 N ARG A 22 29.329 -13.382 15.143 1.00 52.04 N ATOM 315 CA ARG A 22 30.097 -14.614 15.280 1.00 14.20 C ATOM 316 C ARG A 22 29.372 -15.610 16.179 1.00 32.42 C ATOM 317 O ARG A 22 28.501 -15.249 16.972 1.00 33.35 O ATOM 318 CB ARG A 22 31.485 -14.315 15.847 1.00 51.11 C ATOM 319 CG ARG A 22 32.576 -14.254 14.790 1.00 51.40 C ATOM 320 CD ARG A 22 33.937 -14.599 15.372 1.00 64.41 C ATOM 321 NE ARG A 22 34.952 -14.758 14.334 1.00 41.03 N ATOM 322 CZ ARG A 22 36.088 -15.423 14.513 1.00 45.14 C ATOM 323 NH1 ARG A 22 36.352 -15.988 15.683 1.00 55.04 N ATOM 324 NH2 ARG A 22 36.962 -15.524 13.520 1.00 65.43 N ATOM 0 H ARG A 22 28.942 -13.027 16.017 1.00 52.04 H new ATOM 0 HA ARG A 22 30.205 -15.057 14.290 1.00 14.20 H new ATOM 0 HB2 ARG A 22 31.453 -13.364 16.379 1.00 51.11 H new ATOM 0 HB3 ARG A 22 31.742 -15.081 16.578 1.00 51.11 H new ATOM 0 HG2 ARG A 22 32.339 -14.945 13.981 1.00 51.40 H new ATOM 0 HG3 ARG A 22 32.608 -13.255 14.356 1.00 51.40 H new ATOM 0 HD2 ARG A 22 34.245 -13.814 16.063 1.00 64.41 H new ATOM 0 HD3 ARG A 22 33.861 -15.521 15.949 1.00 64.41 H new ATOM 0 HE ARG A 22 34.779 -14.335 13.422 1.00 41.03 H new ATOM 0 HH11 ARG A 22 35.682 -15.913 16.448 1.00 55.04 H new ATOM 0 HH12 ARG A 22 37.225 -16.498 15.818 1.00 55.04 H new ATOM 0 HH21 ARG A 22 36.762 -15.091 12.618 1.00 65.43 H new ATOM 0 HH22 ARG A 22 37.834 -16.035 13.658 1.00 65.43 H new ATOM 338 N PRO A 23 29.737 -16.895 16.056 1.00 34.12 N ATOM 339 CA PRO A 23 29.133 -17.969 16.850 1.00 62.41 C ATOM 340 C PRO A 23 29.530 -17.895 18.322 1.00 10.21 C ATOM 341 O PRO A 23 28.748 -18.246 19.204 1.00 54.24 O ATOM 342 CB PRO A 23 29.692 -19.241 16.209 1.00 44.21 C ATOM 343 CG PRO A 23 30.975 -18.817 15.583 1.00 42.52 C ATOM 344 CD PRO A 23 30.767 -17.398 15.133 1.00 2.14 C ATOM 0 HA PRO A 23 28.044 -17.916 16.846 1.00 62.41 H new ATOM 0 HB2 PRO A 23 29.853 -20.021 16.953 1.00 44.21 H new ATOM 0 HB3 PRO A 23 29.004 -19.646 15.467 1.00 44.21 H new ATOM 0 HG2 PRO A 23 31.798 -18.884 16.295 1.00 42.52 H new ATOM 0 HG3 PRO A 23 31.230 -19.460 14.741 1.00 42.52 H new ATOM 0 HD2 PRO A 23 31.686 -16.816 15.201 1.00 2.14 H new ATOM 0 HD3 PRO A 23 30.435 -17.350 14.096 1.00 2.14 H new ATOM 352 N GLY A 24 30.751 -17.436 18.578 1.00 25.01 N ATOM 353 CA GLY A 24 31.229 -17.324 19.943 1.00 23.20 C ATOM 354 C GLY A 24 31.373 -15.883 20.392 1.00 43.21 C ATOM 355 O GLY A 24 32.101 -15.590 21.339 1.00 10.21 O ATOM 0 H GLY A 24 31.417 -17.140 17.865 1.00 25.01 H new ATOM 0 HA2 GLY A 24 30.539 -17.842 20.610 1.00 23.20 H new ATOM 0 HA3 GLY A 24 32.193 -17.826 20.029 1.00 23.20 H new ATOM 359 N GLY A 25 30.677 -14.979 19.707 1.00 71.43 N ATOM 360 CA GLY A 25 30.746 -13.572 20.054 1.00 32.04 C ATOM 361 C GLY A 25 29.440 -13.051 20.620 1.00 22.45 C ATOM 362 O GLY A 25 28.468 -13.794 20.747 1.00 74.20 O ATOM 0 H GLY A 25 30.067 -15.197 18.919 1.00 71.43 H new ATOM 0 HA2 GLY A 25 31.541 -13.419 20.783 1.00 32.04 H new ATOM 0 HA3 GLY A 25 31.011 -12.995 19.168 1.00 32.04 H new ATOM 366 N LYS A 26 29.416 -11.766 20.963 1.00 44.45 N ATOM 367 CA LYS A 26 28.221 -11.144 21.519 1.00 44.13 C ATOM 368 C LYS A 26 27.693 -10.056 20.591 1.00 24.44 C ATOM 369 O LYS A 26 26.503 -9.741 20.599 1.00 74.43 O ATOM 370 CB LYS A 26 28.524 -10.552 22.898 1.00 2.52 C ATOM 371 CG LYS A 26 27.282 -10.137 23.668 1.00 54.41 C ATOM 372 CD LYS A 26 27.584 -9.927 25.142 1.00 24.00 C ATOM 373 CE LYS A 26 26.384 -9.357 25.881 1.00 30.22 C ATOM 374 NZ LYS A 26 26.463 -9.609 27.346 1.00 41.10 N ATOM 0 H LYS A 26 30.212 -11.136 20.865 1.00 44.45 H new ATOM 0 HA LYS A 26 27.455 -11.913 21.621 1.00 44.13 H new ATOM 0 HB2 LYS A 26 29.077 -11.285 23.485 1.00 2.52 H new ATOM 0 HB3 LYS A 26 29.173 -9.685 22.777 1.00 2.52 H new ATOM 0 HG2 LYS A 26 26.880 -9.217 23.243 1.00 54.41 H new ATOM 0 HG3 LYS A 26 26.513 -10.901 23.559 1.00 54.41 H new ATOM 0 HD2 LYS A 26 27.874 -10.876 25.594 1.00 24.00 H new ATOM 0 HD3 LYS A 26 28.433 -9.251 25.248 1.00 24.00 H new ATOM 0 HE2 LYS A 26 26.322 -8.284 25.700 1.00 30.22 H new ATOM 0 HE3 LYS A 26 25.470 -9.800 25.485 1.00 30.22 H new ATOM 0 HZ1 LYS A 26 25.626 -9.205 27.813 1.00 41.10 H new ATOM 0 HZ2 LYS A 26 26.496 -10.634 27.521 1.00 41.10 H new ATOM 0 HZ3 LYS A 26 27.322 -9.165 27.729 1.00 41.10 H new ATOM 388 N LYS A 27 28.585 -9.482 19.790 1.00 51.54 N ATOM 389 CA LYS A 27 28.209 -8.431 18.853 1.00 13.12 C ATOM 390 C LYS A 27 27.025 -8.865 17.994 1.00 23.11 C ATOM 391 O LYS A 27 27.125 -9.818 17.222 1.00 12.52 O ATOM 392 CB LYS A 27 29.396 -8.068 17.958 1.00 22.53 C ATOM 393 CG LYS A 27 29.365 -6.633 17.459 1.00 65.33 C ATOM 394 CD LYS A 27 30.739 -6.172 17.003 1.00 65.10 C ATOM 395 CE LYS A 27 30.639 -5.045 15.986 1.00 53.35 C ATOM 396 NZ LYS A 27 31.856 -4.187 15.988 1.00 32.04 N ATOM 0 H LYS A 27 29.575 -9.728 19.772 1.00 51.54 H new ATOM 0 HA LYS A 27 27.915 -7.554 19.429 1.00 13.12 H new ATOM 0 HB2 LYS A 27 30.321 -8.232 18.511 1.00 22.53 H new ATOM 0 HB3 LYS A 27 29.414 -8.742 17.101 1.00 22.53 H new ATOM 0 HG2 LYS A 27 28.659 -6.549 16.633 1.00 65.33 H new ATOM 0 HG3 LYS A 27 29.005 -5.978 18.253 1.00 65.33 H new ATOM 0 HD2 LYS A 27 31.316 -5.836 17.865 1.00 65.10 H new ATOM 0 HD3 LYS A 27 31.279 -7.012 16.566 1.00 65.10 H new ATOM 0 HE2 LYS A 27 30.493 -5.466 14.991 1.00 53.35 H new ATOM 0 HE3 LYS A 27 29.763 -4.434 16.206 1.00 53.35 H new ATOM 0 HZ1 LYS A 27 31.749 -3.431 15.282 1.00 32.04 H new ATOM 0 HZ2 LYS A 27 31.982 -3.765 16.930 1.00 32.04 H new ATOM 0 HZ3 LYS A 27 32.688 -4.765 15.753 1.00 32.04 H new ATOM 410 N GLN A 28 25.909 -8.158 18.133 1.00 14.42 N ATOM 411 CA GLN A 28 24.707 -8.472 17.368 1.00 14.23 C ATOM 412 C GLN A 28 24.699 -7.726 16.037 1.00 31.55 C ATOM 413 O GLN A 28 25.543 -6.864 15.793 1.00 23.01 O ATOM 414 CB GLN A 28 23.456 -8.115 18.174 1.00 63.14 C ATOM 415 CG GLN A 28 23.093 -9.154 19.222 1.00 71.32 C ATOM 416 CD GLN A 28 22.705 -8.532 20.550 1.00 44.03 C ATOM 417 OE1 GLN A 28 23.179 -8.952 21.607 1.00 5.45 O ATOM 418 NE2 GLN A 28 21.841 -7.525 20.503 1.00 71.22 N ATOM 0 H GLN A 28 25.811 -7.365 18.767 1.00 14.42 H new ATOM 0 HA GLN A 28 24.706 -9.543 17.164 1.00 14.23 H new ATOM 0 HB2 GLN A 28 23.612 -7.154 18.665 1.00 63.14 H new ATOM 0 HB3 GLN A 28 22.616 -7.991 17.490 1.00 63.14 H new ATOM 0 HG2 GLN A 28 22.266 -9.762 18.854 1.00 71.32 H new ATOM 0 HG3 GLN A 28 23.939 -9.824 19.372 1.00 71.32 H new ATOM 0 HE21 GLN A 28 21.474 -7.210 19.605 1.00 71.22 H new ATOM 0 HE22 GLN A 28 21.545 -7.067 21.365 1.00 71.22 H new ATOM 427 N TYR A 29 23.740 -8.062 15.182 1.00 21.13 N ATOM 428 CA TYR A 29 23.623 -7.426 13.875 1.00 23.42 C ATOM 429 C TYR A 29 22.689 -6.220 13.938 1.00 75.24 C ATOM 430 O TYR A 29 21.490 -6.360 14.182 1.00 3.10 O ATOM 431 CB TYR A 29 23.111 -8.429 12.841 1.00 20.15 C ATOM 432 CG TYR A 29 24.209 -9.059 12.014 1.00 34.02 C ATOM 433 CD1 TYR A 29 24.750 -8.395 10.920 1.00 12.13 C ATOM 434 CD2 TYR A 29 24.704 -10.319 12.326 1.00 61.41 C ATOM 435 CE1 TYR A 29 25.752 -8.967 10.162 1.00 44.55 C ATOM 436 CE2 TYR A 29 25.708 -10.898 11.574 1.00 32.22 C ATOM 437 CZ TYR A 29 26.229 -10.219 10.492 1.00 32.25 C ATOM 438 OH TYR A 29 27.227 -10.793 9.740 1.00 1.12 O ATOM 0 H TYR A 29 23.032 -8.772 15.370 1.00 21.13 H new ATOM 0 HA TYR A 29 24.613 -7.081 13.577 1.00 23.42 H new ATOM 0 HB2 TYR A 29 22.557 -9.215 13.353 1.00 20.15 H new ATOM 0 HB3 TYR A 29 22.409 -7.926 12.176 1.00 20.15 H new ATOM 0 HD1 TYR A 29 24.380 -7.415 10.658 1.00 12.13 H new ATOM 0 HD2 TYR A 29 24.297 -10.855 13.171 1.00 61.41 H new ATOM 0 HE1 TYR A 29 26.161 -8.437 9.314 1.00 44.55 H new ATOM 0 HE2 TYR A 29 26.083 -11.877 11.832 1.00 32.22 H new ATOM 0 HH TYR A 29 27.273 -11.752 9.935 1.00 1.12 H new ATOM 448 N LYS A 30 23.247 -5.036 13.715 1.00 4.11 N ATOM 449 CA LYS A 30 22.467 -3.805 13.743 1.00 31.24 C ATOM 450 C LYS A 30 22.360 -3.196 12.348 1.00 63.53 C ATOM 451 O LYS A 30 22.848 -3.767 11.371 1.00 32.21 O ATOM 452 CB LYS A 30 23.101 -2.796 14.703 1.00 64.24 C ATOM 453 CG LYS A 30 22.278 -2.545 15.954 1.00 73.53 C ATOM 454 CD LYS A 30 22.518 -1.153 16.511 1.00 23.14 C ATOM 455 CE LYS A 30 21.653 -0.883 17.732 1.00 75.20 C ATOM 456 NZ LYS A 30 22.382 -1.160 19.001 1.00 72.14 N ATOM 0 H LYS A 30 24.238 -4.902 13.513 1.00 4.11 H new ATOM 0 HA LYS A 30 21.464 -4.049 14.092 1.00 31.24 H new ATOM 0 HB2 LYS A 30 24.088 -3.155 14.994 1.00 64.24 H new ATOM 0 HB3 LYS A 30 23.247 -1.851 14.179 1.00 64.24 H new ATOM 0 HG2 LYS A 30 21.220 -2.668 15.725 1.00 73.53 H new ATOM 0 HG3 LYS A 30 22.529 -3.288 16.711 1.00 73.53 H new ATOM 0 HD2 LYS A 30 23.569 -1.043 16.777 1.00 23.14 H new ATOM 0 HD3 LYS A 30 22.305 -0.411 15.742 1.00 23.14 H new ATOM 0 HE2 LYS A 30 21.324 0.156 17.721 1.00 75.20 H new ATOM 0 HE3 LYS A 30 20.757 -1.501 17.686 1.00 75.20 H new ATOM 0 HZ1 LYS A 30 21.758 -0.964 19.810 1.00 72.14 H new ATOM 0 HZ2 LYS A 30 22.674 -2.158 19.023 1.00 72.14 H new ATOM 0 HZ3 LYS A 30 23.224 -0.552 19.058 1.00 72.14 H new ATOM 470 N LEU A 31 21.723 -2.034 12.262 1.00 13.34 N ATOM 471 CA LEU A 31 21.553 -1.347 10.986 1.00 51.41 C ATOM 472 C LEU A 31 22.905 -0.999 10.371 1.00 51.12 C ATOM 473 O LEU A 31 23.063 -1.000 9.150 1.00 4.13 O ATOM 474 CB LEU A 31 20.724 -0.075 11.175 1.00 54.20 C ATOM 475 CG LEU A 31 19.261 -0.281 11.573 1.00 4.12 C ATOM 476 CD1 LEU A 31 18.759 0.902 12.387 1.00 3.42 C ATOM 477 CD2 LEU A 31 18.397 -0.487 10.338 1.00 1.52 C ATOM 0 H LEU A 31 21.315 -1.547 13.060 1.00 13.34 H new ATOM 0 HA LEU A 31 21.027 -2.019 10.307 1.00 51.41 H new ATOM 0 HB2 LEU A 31 21.204 0.538 11.937 1.00 54.20 H new ATOM 0 HB3 LEU A 31 20.750 0.494 10.245 1.00 54.20 H new ATOM 0 HG LEU A 31 19.194 -1.176 12.191 1.00 4.12 H new ATOM 0 HD11 LEU A 31 17.717 0.739 12.662 1.00 3.42 H new ATOM 0 HD12 LEU A 31 19.361 1.004 13.290 1.00 3.42 H new ATOM 0 HD13 LEU A 31 18.839 1.813 11.793 1.00 3.42 H new ATOM 0 HD21 LEU A 31 17.360 -0.632 10.640 1.00 1.52 H new ATOM 0 HD22 LEU A 31 18.468 0.389 9.694 1.00 1.52 H new ATOM 0 HD23 LEU A 31 18.743 -1.366 9.794 1.00 1.52 H new ATOM 489 N LYS A 32 23.879 -0.705 11.225 1.00 30.31 N ATOM 490 CA LYS A 32 25.220 -0.359 10.768 1.00 53.43 C ATOM 491 C LYS A 32 25.753 -1.411 9.801 1.00 51.15 C ATOM 492 O LYS A 32 26.395 -1.083 8.803 1.00 70.31 O ATOM 493 CB LYS A 32 26.168 -0.220 11.961 1.00 72.42 C ATOM 494 CG LYS A 32 26.270 1.198 12.495 1.00 10.44 C ATOM 495 CD LYS A 32 24.981 1.633 13.174 1.00 51.14 C ATOM 496 CE LYS A 32 25.149 2.965 13.887 1.00 61.51 C ATOM 497 NZ LYS A 32 23.861 3.459 14.449 1.00 71.03 N ATOM 0 H LYS A 32 23.765 -0.699 12.239 1.00 30.31 H new ATOM 0 HA LYS A 32 25.163 0.595 10.244 1.00 53.43 H new ATOM 0 HB2 LYS A 32 25.829 -0.877 12.762 1.00 72.42 H new ATOM 0 HB3 LYS A 32 27.161 -0.561 11.667 1.00 72.42 H new ATOM 0 HG2 LYS A 32 27.095 1.262 13.204 1.00 10.44 H new ATOM 0 HG3 LYS A 32 26.499 1.880 11.676 1.00 10.44 H new ATOM 0 HD2 LYS A 32 24.187 1.714 12.432 1.00 51.14 H new ATOM 0 HD3 LYS A 32 24.671 0.872 13.890 1.00 51.14 H new ATOM 0 HE2 LYS A 32 25.878 2.858 14.690 1.00 61.51 H new ATOM 0 HE3 LYS A 32 25.548 3.702 13.190 1.00 61.51 H new ATOM 0 HZ1 LYS A 32 24.017 4.369 14.927 1.00 71.03 H new ATOM 0 HZ2 LYS A 32 23.172 3.586 13.680 1.00 71.03 H new ATOM 0 HZ3 LYS A 32 23.493 2.767 15.133 1.00 71.03 H new ATOM 511 N HIS A 33 25.483 -2.677 10.104 1.00 41.42 N ATOM 512 CA HIS A 33 25.934 -3.779 9.260 1.00 1.34 C ATOM 513 C HIS A 33 25.136 -3.830 7.960 1.00 33.35 C ATOM 514 O HIS A 33 25.727 -4.202 6.947 1.00 54.41 O ATOM 515 CB HIS A 33 25.802 -5.107 10.005 1.00 43.44 C ATOM 516 CG HIS A 33 26.558 -5.147 11.297 1.00 70.32 C ATOM 517 ND1 HIS A 33 25.940 -5.184 12.529 1.00 2.03 N ATOM 518 CD2 HIS A 33 27.889 -5.155 11.545 1.00 55.04 C ATOM 519 CE1 HIS A 33 26.858 -5.212 13.479 1.00 42.43 C ATOM 520 NE2 HIS A 33 28.049 -5.197 12.908 1.00 32.12 N ATOM 0 H HIS A 33 24.954 -2.965 10.927 1.00 41.42 H new ATOM 0 HA HIS A 33 26.983 -3.611 9.016 1.00 1.34 H new ATOM 0 HB2 HIS A 33 24.748 -5.299 10.204 1.00 43.44 H new ATOM 0 HB3 HIS A 33 26.156 -5.912 9.361 1.00 43.44 H new ATOM 0 HD2 HIS A 33 28.678 -5.133 10.808 1.00 55.04 H new ATOM 0 HE1 HIS A 33 26.667 -5.242 14.542 1.00 42.43 H new ATOM 0 HE2 HIS A 33 28.942 -5.214 13.400 1.00 32.12 H new ATOM 528 N ILE A 34 23.854 -3.477 7.963 1.00 14.13 N ATOM 529 CA ILE A 34 23.051 -3.509 6.746 1.00 24.03 C ATOM 530 C ILE A 34 23.539 -2.472 5.740 1.00 13.34 C ATOM 531 O ILE A 34 23.566 -2.726 4.535 1.00 5.25 O ATOM 532 CB ILE A 34 21.563 -3.255 7.047 1.00 12.34 C ATOM 533 CG1 ILE A 34 21.058 -4.240 8.104 1.00 10.52 C ATOM 534 CG2 ILE A 34 20.738 -3.368 5.773 1.00 61.44 C ATOM 535 CD1 ILE A 34 19.672 -3.919 8.617 1.00 43.33 C ATOM 0 H ILE A 34 23.350 -3.166 8.793 1.00 14.13 H new ATOM 0 HA ILE A 34 23.162 -4.506 6.320 1.00 24.03 H new ATOM 0 HB ILE A 34 21.455 -2.244 7.439 1.00 12.34 H new ATOM 0 HG12 ILE A 34 21.056 -5.245 7.681 1.00 10.52 H new ATOM 0 HG13 ILE A 34 21.754 -4.248 8.943 1.00 10.52 H new ATOM 0 HG21 ILE A 34 19.688 -3.186 6.002 1.00 61.44 H new ATOM 0 HG22 ILE A 34 21.085 -2.631 5.049 1.00 61.44 H new ATOM 0 HG23 ILE A 34 20.850 -4.368 5.355 1.00 61.44 H new ATOM 0 HD11 ILE A 34 19.380 -4.658 9.363 1.00 43.33 H new ATOM 0 HD12 ILE A 34 19.672 -2.928 9.070 1.00 43.33 H new ATOM 0 HD13 ILE A 34 18.964 -3.939 7.789 1.00 43.33 H new ATOM 547 N VAL A 35 23.925 -1.303 6.241 1.00 71.51 N ATOM 548 CA VAL A 35 24.414 -0.229 5.386 1.00 24.34 C ATOM 549 C VAL A 35 25.834 -0.510 4.908 1.00 44.24 C ATOM 550 O VAL A 35 26.186 -0.211 3.767 1.00 0.03 O ATOM 551 CB VAL A 35 24.391 1.126 6.119 1.00 42.23 C ATOM 552 CG1 VAL A 35 24.936 2.228 5.222 1.00 34.31 C ATOM 553 CG2 VAL A 35 22.981 1.455 6.587 1.00 1.41 C ATOM 0 H VAL A 35 23.908 -1.076 7.235 1.00 71.51 H new ATOM 0 HA VAL A 35 23.747 -0.181 4.526 1.00 24.34 H new ATOM 0 HB VAL A 35 25.033 1.055 6.997 1.00 42.23 H new ATOM 0 HG11 VAL A 35 24.912 3.178 5.757 1.00 34.31 H new ATOM 0 HG12 VAL A 35 25.963 1.995 4.943 1.00 34.31 H new ATOM 0 HG13 VAL A 35 24.323 2.302 4.323 1.00 34.31 H new ATOM 0 HG21 VAL A 35 22.984 2.415 7.103 1.00 1.41 H new ATOM 0 HG22 VAL A 35 22.315 1.507 5.726 1.00 1.41 H new ATOM 0 HG23 VAL A 35 22.633 0.678 7.268 1.00 1.41 H new ATOM 563 N TRP A 36 26.644 -1.089 5.786 1.00 42.43 N ATOM 564 CA TRP A 36 28.027 -1.413 5.452 1.00 63.42 C ATOM 565 C TRP A 36 28.098 -2.261 4.187 1.00 73.01 C ATOM 566 O TRP A 36 29.014 -2.113 3.380 1.00 23.21 O ATOM 567 CB TRP A 36 28.694 -2.151 6.614 1.00 40.33 C ATOM 568 CG TRP A 36 30.123 -2.514 6.345 1.00 41.14 C ATOM 569 CD1 TRP A 36 31.234 -1.856 6.791 1.00 40.22 C ATOM 570 CD2 TRP A 36 30.595 -3.620 5.566 1.00 61.42 C ATOM 571 NE1 TRP A 36 32.367 -2.486 6.337 1.00 3.22 N ATOM 572 CE2 TRP A 36 32.002 -3.571 5.584 1.00 40.12 C ATOM 573 CE3 TRP A 36 29.965 -4.647 4.859 1.00 24.23 C ATOM 574 CZ2 TRP A 36 32.788 -4.509 4.920 1.00 55.15 C ATOM 575 CZ3 TRP A 36 30.746 -5.577 4.200 1.00 62.21 C ATOM 576 CH2 TRP A 36 32.144 -5.504 4.235 1.00 43.32 C ATOM 0 H TRP A 36 26.368 -1.344 6.734 1.00 42.43 H new ATOM 0 HA TRP A 36 28.559 -0.479 5.270 1.00 63.42 H new ATOM 0 HB2 TRP A 36 28.647 -1.527 7.506 1.00 40.33 H new ATOM 0 HB3 TRP A 36 28.130 -3.059 6.830 1.00 40.33 H new ATOM 0 HD1 TRP A 36 31.223 -0.971 7.410 1.00 40.22 H new ATOM 0 HE1 TRP A 36 33.325 -2.193 6.529 1.00 3.22 H new ATOM 0 HE3 TRP A 36 28.887 -4.713 4.828 1.00 24.23 H new ATOM 0 HZ2 TRP A 36 33.866 -4.454 4.944 1.00 55.15 H new ATOM 0 HZ3 TRP A 36 30.270 -6.374 3.648 1.00 62.21 H new ATOM 0 HH2 TRP A 36 32.726 -6.248 3.711 1.00 43.32 H new ATOM 587 N ALA A 37 27.124 -3.150 4.021 1.00 43.22 N ATOM 588 CA ALA A 37 27.076 -4.020 2.853 1.00 53.03 C ATOM 589 C ALA A 37 26.511 -3.283 1.643 1.00 72.34 C ATOM 590 O ALA A 37 27.041 -3.390 0.537 1.00 21.01 O ATOM 591 CB ALA A 37 26.247 -5.261 3.152 1.00 30.50 C ATOM 0 H ALA A 37 26.358 -3.286 4.681 1.00 43.22 H new ATOM 0 HA ALA A 37 28.095 -4.326 2.617 1.00 53.03 H new ATOM 0 HB1 ALA A 37 26.220 -5.902 2.271 1.00 30.50 H new ATOM 0 HB2 ALA A 37 26.695 -5.806 3.983 1.00 30.50 H new ATOM 0 HB3 ALA A 37 25.232 -4.965 3.417 1.00 30.50 H new ATOM 597 N SER A 38 25.433 -2.538 1.860 1.00 72.22 N ATOM 598 CA SER A 38 24.793 -1.787 0.786 1.00 3.12 C ATOM 599 C SER A 38 25.810 -0.921 0.048 1.00 71.35 C ATOM 600 O SER A 38 25.820 -0.867 -1.181 1.00 51.02 O ATOM 601 CB SER A 38 23.670 -0.911 1.346 1.00 45.04 C ATOM 602 OG SER A 38 24.066 0.449 1.404 1.00 62.52 O ATOM 0 H SER A 38 24.984 -2.438 2.770 1.00 72.22 H new ATOM 0 HA SER A 38 24.369 -2.501 0.080 1.00 3.12 H new ATOM 0 HB2 SER A 38 22.782 -1.008 0.721 1.00 45.04 H new ATOM 0 HB3 SER A 38 23.397 -1.257 2.343 1.00 45.04 H new ATOM 0 HG SER A 38 23.331 0.989 1.764 1.00 62.52 H new ATOM 608 N ARG A 39 26.665 -0.246 0.809 1.00 21.42 N ATOM 609 CA ARG A 39 27.686 0.620 0.230 1.00 54.44 C ATOM 610 C ARG A 39 28.602 -0.170 -0.700 1.00 10.33 C ATOM 611 O ARG A 39 28.908 0.272 -1.806 1.00 44.40 O ATOM 612 CB ARG A 39 28.510 1.282 1.334 1.00 72.40 C ATOM 613 CG ARG A 39 27.866 2.534 1.907 1.00 65.00 C ATOM 614 CD ARG A 39 28.278 3.777 1.133 1.00 14.53 C ATOM 615 NE ARG A 39 29.327 4.526 1.819 1.00 12.12 N ATOM 616 CZ ARG A 39 29.702 5.752 1.470 1.00 42.15 C ATOM 617 NH1 ARG A 39 29.117 6.362 0.449 1.00 44.40 N ATOM 618 NH2 ARG A 39 30.665 6.370 2.143 1.00 41.32 N ATOM 0 H ARG A 39 26.671 -0.282 1.828 1.00 21.42 H new ATOM 0 HA ARG A 39 27.185 1.394 -0.351 1.00 54.44 H new ATOM 0 HB2 ARG A 39 28.667 0.564 2.139 1.00 72.40 H new ATOM 0 HB3 ARG A 39 29.493 1.538 0.938 1.00 72.40 H new ATOM 0 HG2 ARG A 39 26.781 2.431 1.881 1.00 65.00 H new ATOM 0 HG3 ARG A 39 28.151 2.645 2.953 1.00 65.00 H new ATOM 0 HD2 ARG A 39 28.628 3.488 0.142 1.00 14.53 H new ATOM 0 HD3 ARG A 39 27.409 4.419 0.989 1.00 14.53 H new ATOM 0 HE ARG A 39 29.797 4.084 2.609 1.00 12.12 H new ATOM 0 HH11 ARG A 39 28.377 5.890 -0.071 1.00 44.40 H new ATOM 0 HH12 ARG A 39 29.407 7.303 0.183 1.00 44.40 H new ATOM 0 HH21 ARG A 39 31.118 5.904 2.929 1.00 41.32 H new ATOM 0 HH22 ARG A 39 30.952 7.311 1.874 1.00 41.32 H new ATOM 632 N GLU A 40 29.037 -1.340 -0.242 1.00 35.24 N ATOM 633 CA GLU A 40 29.919 -2.190 -1.033 1.00 1.13 C ATOM 634 C GLU A 40 29.199 -2.721 -2.268 1.00 11.13 C ATOM 635 O GLU A 40 29.797 -2.864 -3.336 1.00 42.23 O ATOM 636 CB GLU A 40 30.433 -3.357 -0.187 1.00 23.14 C ATOM 637 CG GLU A 40 31.780 -3.891 -0.643 1.00 40.14 C ATOM 638 CD GLU A 40 32.864 -3.709 0.402 1.00 4.14 C ATOM 639 OE1 GLU A 40 32.687 -4.202 1.535 1.00 14.15 O ATOM 640 OE2 GLU A 40 33.891 -3.072 0.085 1.00 22.13 O ATOM 0 H GLU A 40 28.793 -1.720 0.672 1.00 35.24 H new ATOM 0 HA GLU A 40 30.766 -1.587 -1.359 1.00 1.13 H new ATOM 0 HB2 GLU A 40 30.512 -3.035 0.851 1.00 23.14 H new ATOM 0 HB3 GLU A 40 29.702 -4.165 -0.216 1.00 23.14 H new ATOM 0 HG2 GLU A 40 31.685 -4.950 -0.882 1.00 40.14 H new ATOM 0 HG3 GLU A 40 32.076 -3.383 -1.561 1.00 40.14 H new ATOM 647 N LEU A 41 27.912 -3.013 -2.117 1.00 64.34 N ATOM 648 CA LEU A 41 27.109 -3.530 -3.219 1.00 61.14 C ATOM 649 C LEU A 41 27.141 -2.577 -4.410 1.00 61.51 C ATOM 650 O LEU A 41 27.435 -2.983 -5.533 1.00 2.11 O ATOM 651 CB LEU A 41 25.665 -3.749 -2.765 1.00 34.11 C ATOM 652 CG LEU A 41 25.399 -5.024 -1.964 1.00 52.33 C ATOM 653 CD1 LEU A 41 24.053 -4.942 -1.261 1.00 14.51 C ATOM 654 CD2 LEU A 41 25.456 -6.245 -2.872 1.00 14.32 C ATOM 0 H LEU A 41 27.402 -2.900 -1.241 1.00 64.34 H new ATOM 0 HA LEU A 41 27.534 -4.484 -3.529 1.00 61.14 H new ATOM 0 HB2 LEU A 41 25.362 -2.894 -2.160 1.00 34.11 H new ATOM 0 HB3 LEU A 41 25.025 -3.758 -3.647 1.00 34.11 H new ATOM 0 HG LEU A 41 26.176 -5.123 -1.206 1.00 52.33 H new ATOM 0 HD11 LEU A 41 23.881 -5.858 -0.696 1.00 14.51 H new ATOM 0 HD12 LEU A 41 24.049 -4.090 -0.581 1.00 14.51 H new ATOM 0 HD13 LEU A 41 23.263 -4.819 -2.001 1.00 14.51 H new ATOM 0 HD21 LEU A 41 25.264 -7.144 -2.286 1.00 14.32 H new ATOM 0 HD22 LEU A 41 24.701 -6.153 -3.653 1.00 14.32 H new ATOM 0 HD23 LEU A 41 26.443 -6.313 -3.328 1.00 14.32 H new ATOM 666 N GLU A 42 26.839 -1.308 -4.153 1.00 20.51 N ATOM 667 CA GLU A 42 26.835 -0.297 -5.204 1.00 0.03 C ATOM 668 C GLU A 42 28.181 -0.252 -5.921 1.00 41.22 C ATOM 669 O GLU A 42 28.264 0.144 -7.084 1.00 54.11 O ATOM 670 CB GLU A 42 26.511 1.079 -4.618 1.00 12.45 C ATOM 671 CG GLU A 42 26.700 2.220 -5.603 1.00 35.12 C ATOM 672 CD GLU A 42 25.905 2.025 -6.881 1.00 61.12 C ATOM 673 OE1 GLU A 42 24.939 1.234 -6.863 1.00 31.54 O ATOM 674 OE2 GLU A 42 26.250 2.663 -7.897 1.00 70.04 O ATOM 0 H GLU A 42 26.594 -0.956 -3.227 1.00 20.51 H new ATOM 0 HA GLU A 42 26.066 -0.566 -5.928 1.00 0.03 H new ATOM 0 HB2 GLU A 42 25.479 1.081 -4.266 1.00 12.45 H new ATOM 0 HB3 GLU A 42 27.145 1.252 -3.748 1.00 12.45 H new ATOM 0 HG2 GLU A 42 26.399 3.156 -5.132 1.00 35.12 H new ATOM 0 HG3 GLU A 42 27.758 2.312 -5.848 1.00 35.12 H new ATOM 681 N ARG A 43 29.232 -0.661 -5.219 1.00 62.04 N ATOM 682 CA ARG A 43 30.575 -0.666 -5.787 1.00 51.23 C ATOM 683 C ARG A 43 30.725 -1.782 -6.818 1.00 3.32 C ATOM 684 O ARG A 43 31.534 -1.683 -7.741 1.00 3.42 O ATOM 685 CB ARG A 43 31.619 -0.836 -4.681 1.00 4.23 C ATOM 686 CG ARG A 43 32.604 0.318 -4.592 1.00 42.40 C ATOM 687 CD ARG A 43 32.128 1.384 -3.617 1.00 53.13 C ATOM 688 NE ARG A 43 31.438 2.477 -4.296 1.00 32.51 N ATOM 689 CZ ARG A 43 30.609 3.315 -3.683 1.00 64.31 C ATOM 690 NH1 ARG A 43 30.368 3.185 -2.385 1.00 2.54 N ATOM 691 NH2 ARG A 43 30.019 4.286 -4.368 1.00 20.14 N ATOM 0 H ARG A 43 29.180 -0.993 -4.256 1.00 62.04 H new ATOM 0 HA ARG A 43 30.735 0.290 -6.285 1.00 51.23 H new ATOM 0 HB2 ARG A 43 31.108 -0.942 -3.724 1.00 4.23 H new ATOM 0 HB3 ARG A 43 32.170 -1.761 -4.852 1.00 4.23 H new ATOM 0 HG2 ARG A 43 33.577 -0.057 -4.276 1.00 42.40 H new ATOM 0 HG3 ARG A 43 32.738 0.760 -5.579 1.00 42.40 H new ATOM 0 HD2 ARG A 43 31.459 0.933 -2.884 1.00 53.13 H new ATOM 0 HD3 ARG A 43 32.982 1.780 -3.067 1.00 53.13 H new ATOM 0 HE ARG A 43 31.601 2.604 -5.295 1.00 32.51 H new ATOM 0 HH11 ARG A 43 30.820 2.440 -1.855 1.00 2.54 H new ATOM 0 HH12 ARG A 43 29.731 3.830 -1.917 1.00 2.54 H new ATOM 0 HH21 ARG A 43 30.202 4.390 -5.366 1.00 20.14 H new ATOM 0 HH22 ARG A 43 29.383 4.929 -3.896 1.00 20.14 H new ATOM 705 N PHE A 44 29.941 -2.841 -6.654 1.00 52.33 N ATOM 706 CA PHE A 44 29.987 -3.976 -7.569 1.00 0.22 C ATOM 707 C PHE A 44 28.904 -3.858 -8.637 1.00 4.24 C ATOM 708 O PHE A 44 28.424 -4.861 -9.164 1.00 63.34 O ATOM 709 CB PHE A 44 29.818 -5.287 -6.798 1.00 3.24 C ATOM 710 CG PHE A 44 31.052 -5.707 -6.052 1.00 44.14 C ATOM 711 CD1 PHE A 44 32.276 -5.784 -6.698 1.00 30.41 C ATOM 712 CD2 PHE A 44 30.988 -6.025 -4.705 1.00 44.22 C ATOM 713 CE1 PHE A 44 33.413 -6.169 -6.013 1.00 44.55 C ATOM 714 CE2 PHE A 44 32.123 -6.411 -4.016 1.00 33.43 C ATOM 715 CZ PHE A 44 33.336 -6.484 -4.671 1.00 43.13 C ATOM 0 H PHE A 44 29.266 -2.938 -5.896 1.00 52.33 H new ATOM 0 HA PHE A 44 30.960 -3.975 -8.061 1.00 0.22 H new ATOM 0 HB2 PHE A 44 28.995 -5.180 -6.092 1.00 3.24 H new ATOM 0 HB3 PHE A 44 29.539 -6.076 -7.496 1.00 3.24 H new ATOM 0 HD1 PHE A 44 32.342 -5.540 -7.748 1.00 30.41 H new ATOM 0 HD2 PHE A 44 30.042 -5.971 -4.188 1.00 44.22 H new ATOM 0 HE1 PHE A 44 34.361 -6.223 -6.527 1.00 44.55 H new ATOM 0 HE2 PHE A 44 32.061 -6.655 -2.966 1.00 33.43 H new ATOM 0 HZ PHE A 44 34.223 -6.787 -4.135 1.00 43.13 H new ATOM 725 N ALA A 45 28.523 -2.623 -8.951 1.00 52.43 N ATOM 726 CA ALA A 45 27.499 -2.373 -9.957 1.00 22.24 C ATOM 727 C ALA A 45 26.153 -2.945 -9.524 1.00 23.33 C ATOM 728 O ALA A 45 25.275 -3.187 -10.351 1.00 34.13 O ATOM 729 CB ALA A 45 27.918 -2.962 -11.296 1.00 21.44 C ATOM 0 H ALA A 45 28.908 -1.781 -8.523 1.00 52.43 H new ATOM 0 HA ALA A 45 27.388 -1.294 -10.066 1.00 22.24 H new ATOM 0 HB1 ALA A 45 27.143 -2.767 -12.038 1.00 21.44 H new ATOM 0 HB2 ALA A 45 28.853 -2.503 -11.619 1.00 21.44 H new ATOM 0 HB3 ALA A 45 28.059 -4.038 -11.192 1.00 21.44 H new ATOM 735 N VAL A 46 25.998 -3.158 -8.221 1.00 74.53 N ATOM 736 CA VAL A 46 24.758 -3.701 -7.677 1.00 42.24 C ATOM 737 C VAL A 46 24.097 -2.713 -6.723 1.00 63.41 C ATOM 738 O VAL A 46 24.660 -2.365 -5.686 1.00 71.34 O ATOM 739 CB VAL A 46 25.005 -5.028 -6.936 1.00 71.24 C ATOM 740 CG1 VAL A 46 23.709 -5.553 -6.336 1.00 54.53 C ATOM 741 CG2 VAL A 46 25.623 -6.055 -7.873 1.00 0.12 C ATOM 0 H VAL A 46 26.715 -2.963 -7.522 1.00 74.53 H new ATOM 0 HA VAL A 46 24.094 -3.884 -8.522 1.00 42.24 H new ATOM 0 HB VAL A 46 25.707 -4.845 -6.122 1.00 71.24 H new ATOM 0 HG11 VAL A 46 23.903 -6.491 -5.816 1.00 54.53 H new ATOM 0 HG12 VAL A 46 23.312 -4.823 -5.631 1.00 54.53 H new ATOM 0 HG13 VAL A 46 22.982 -5.722 -7.131 1.00 54.53 H new ATOM 0 HG21 VAL A 46 25.791 -6.986 -7.332 1.00 0.12 H new ATOM 0 HG22 VAL A 46 24.948 -6.237 -8.709 1.00 0.12 H new ATOM 0 HG23 VAL A 46 26.574 -5.678 -8.250 1.00 0.12 H new ATOM 751 N ASN A 47 22.899 -2.264 -7.081 1.00 51.01 N ATOM 752 CA ASN A 47 22.160 -1.315 -6.256 1.00 61.55 C ATOM 753 C ASN A 47 21.887 -1.896 -4.872 1.00 30.42 C ATOM 754 O ASN A 47 21.634 -3.091 -4.710 1.00 23.11 O ATOM 755 CB ASN A 47 20.841 -0.938 -6.932 1.00 52.42 C ATOM 756 CG ASN A 47 20.905 0.417 -7.609 1.00 22.33 C ATOM 757 OD1 ASN A 47 21.677 0.620 -8.545 1.00 43.30 O ATOM 758 ND2 ASN A 47 20.090 1.354 -7.136 1.00 50.31 N ATOM 0 H ASN A 47 22.419 -2.542 -7.937 1.00 51.01 H new ATOM 0 HA ASN A 47 22.770 -0.419 -6.141 1.00 61.55 H new ATOM 0 HB2 ASN A 47 20.584 -1.698 -7.670 1.00 52.42 H new ATOM 0 HB3 ASN A 47 20.044 -0.933 -6.189 1.00 52.42 H new ATOM 0 HD21 ASN A 47 20.089 2.286 -7.551 1.00 50.31 H new ATOM 0 HD22 ASN A 47 19.466 1.142 -6.358 1.00 50.31 H new ATOM 765 N PRO A 48 21.937 -1.032 -3.847 1.00 22.12 N ATOM 766 CA PRO A 48 21.697 -1.435 -2.458 1.00 34.10 C ATOM 767 C PRO A 48 20.238 -1.802 -2.206 1.00 62.52 C ATOM 768 O PRO A 48 19.891 -2.310 -1.139 1.00 32.04 O ATOM 769 CB PRO A 48 22.082 -0.190 -1.655 1.00 54.23 C ATOM 770 CG PRO A 48 21.894 0.944 -2.602 1.00 31.14 C ATOM 771 CD PRO A 48 22.232 0.406 -3.965 1.00 21.02 C ATOM 0 HA PRO A 48 22.265 -2.325 -2.187 1.00 34.10 H new ATOM 0 HB2 PRO A 48 21.452 -0.078 -0.773 1.00 54.23 H new ATOM 0 HB3 PRO A 48 23.113 -0.247 -1.306 1.00 54.23 H new ATOM 0 HG2 PRO A 48 20.869 1.312 -2.571 1.00 31.14 H new ATOM 0 HG3 PRO A 48 22.541 1.781 -2.341 1.00 31.14 H new ATOM 0 HD2 PRO A 48 21.631 0.877 -4.743 1.00 21.02 H new ATOM 0 HD3 PRO A 48 23.277 0.582 -4.219 1.00 21.02 H new ATOM 779 N GLY A 49 19.387 -1.542 -3.194 1.00 63.24 N ATOM 780 CA GLY A 49 17.976 -1.852 -3.058 1.00 61.40 C ATOM 781 C GLY A 49 17.679 -3.320 -3.295 1.00 3.34 C ATOM 782 O GLY A 49 16.517 -3.718 -3.384 1.00 42.34 O ATOM 0 H GLY A 49 19.650 -1.122 -4.086 1.00 63.24 H new ATOM 0 HA2 GLY A 49 17.641 -1.573 -2.059 1.00 61.40 H new ATOM 0 HA3 GLY A 49 17.405 -1.250 -3.765 1.00 61.40 H new ATOM 786 N LEU A 50 18.730 -4.124 -3.402 1.00 3.31 N ATOM 787 CA LEU A 50 18.576 -5.556 -3.633 1.00 65.24 C ATOM 788 C LEU A 50 18.682 -6.333 -2.324 1.00 44.42 C ATOM 789 O LEU A 50 19.012 -7.521 -2.320 1.00 21.22 O ATOM 790 CB LEU A 50 19.636 -6.051 -4.620 1.00 4.24 C ATOM 791 CG LEU A 50 19.596 -5.426 -6.015 1.00 55.51 C ATOM 792 CD1 LEU A 50 20.612 -6.096 -6.929 1.00 64.42 C ATOM 793 CD2 LEU A 50 18.197 -5.530 -6.605 1.00 20.02 C ATOM 0 H LEU A 50 19.698 -3.809 -3.333 1.00 3.31 H new ATOM 0 HA LEU A 50 17.586 -5.726 -4.057 1.00 65.24 H new ATOM 0 HB2 LEU A 50 20.620 -5.866 -4.189 1.00 4.24 H new ATOM 0 HB3 LEU A 50 19.531 -7.131 -4.724 1.00 4.24 H new ATOM 0 HG LEU A 50 19.855 -4.371 -5.928 1.00 55.51 H new ATOM 0 HD11 LEU A 50 20.570 -5.639 -7.917 1.00 64.42 H new ATOM 0 HD12 LEU A 50 21.612 -5.972 -6.514 1.00 64.42 H new ATOM 0 HD13 LEU A 50 20.383 -7.158 -7.011 1.00 64.42 H new ATOM 0 HD21 LEU A 50 18.186 -5.080 -7.598 1.00 20.02 H new ATOM 0 HD22 LEU A 50 17.910 -6.579 -6.679 1.00 20.02 H new ATOM 0 HD23 LEU A 50 17.491 -5.005 -5.962 1.00 20.02 H new ATOM 805 N LEU A 51 18.399 -5.658 -1.216 1.00 13.52 N ATOM 806 CA LEU A 51 18.460 -6.285 0.098 1.00 21.51 C ATOM 807 C LEU A 51 17.129 -6.145 0.831 1.00 64.52 C ATOM 808 O LEU A 51 17.082 -6.165 2.060 1.00 62.23 O ATOM 809 CB LEU A 51 19.581 -5.662 0.931 1.00 64.14 C ATOM 810 CG LEU A 51 20.928 -5.498 0.227 1.00 2.52 C ATOM 811 CD1 LEU A 51 21.775 -4.450 0.933 1.00 44.25 C ATOM 812 CD2 LEU A 51 21.664 -6.829 0.165 1.00 2.13 C ATOM 0 H LEU A 51 18.125 -4.676 -1.202 1.00 13.52 H new ATOM 0 HA LEU A 51 18.667 -7.346 -0.043 1.00 21.51 H new ATOM 0 HB2 LEU A 51 19.250 -4.681 1.273 1.00 64.14 H new ATOM 0 HB3 LEU A 51 19.730 -6.276 1.819 1.00 64.14 H new ATOM 0 HG LEU A 51 20.744 -5.160 -0.793 1.00 2.52 H new ATOM 0 HD11 LEU A 51 22.730 -4.347 0.418 1.00 44.25 H new ATOM 0 HD12 LEU A 51 21.253 -3.493 0.924 1.00 44.25 H new ATOM 0 HD13 LEU A 51 21.950 -4.758 1.964 1.00 44.25 H new ATOM 0 HD21 LEU A 51 22.621 -6.693 -0.339 1.00 2.13 H new ATOM 0 HD22 LEU A 51 21.836 -7.197 1.176 1.00 2.13 H new ATOM 0 HD23 LEU A 51 21.063 -7.552 -0.386 1.00 2.13 H new ATOM 824 N GLU A 52 16.050 -6.004 0.066 1.00 62.34 N ATOM 825 CA GLU A 52 14.720 -5.862 0.644 1.00 14.10 C ATOM 826 C GLU A 52 13.842 -7.059 0.289 1.00 21.14 C ATOM 827 O GLU A 52 12.718 -7.187 0.779 1.00 44.22 O ATOM 828 CB GLU A 52 14.062 -4.570 0.153 1.00 75.43 C ATOM 829 CG GLU A 52 13.837 -4.534 -1.349 1.00 72.32 C ATOM 830 CD GLU A 52 13.845 -3.124 -1.906 1.00 21.22 C ATOM 831 OE1 GLU A 52 13.707 -2.171 -1.111 1.00 72.14 O ATOM 832 OE2 GLU A 52 13.989 -2.973 -3.137 1.00 11.34 O ATOM 0 H GLU A 52 16.072 -5.985 -0.954 1.00 62.34 H new ATOM 0 HA GLU A 52 14.825 -5.819 1.728 1.00 14.10 H new ATOM 0 HB2 GLU A 52 13.104 -4.445 0.658 1.00 75.43 H new ATOM 0 HB3 GLU A 52 14.686 -3.723 0.439 1.00 75.43 H new ATOM 0 HG2 GLU A 52 14.612 -5.120 -1.843 1.00 72.32 H new ATOM 0 HG3 GLU A 52 12.883 -5.007 -1.581 1.00 72.32 H new ATOM 839 N THR A 53 14.362 -7.933 -0.566 1.00 53.14 N ATOM 840 CA THR A 53 13.626 -9.119 -0.989 1.00 23.52 C ATOM 841 C THR A 53 14.500 -10.365 -0.910 1.00 23.22 C ATOM 842 O THR A 53 15.721 -10.288 -1.046 1.00 25.10 O ATOM 843 CB THR A 53 13.096 -8.968 -2.428 1.00 31.55 C ATOM 844 OG1 THR A 53 14.175 -9.079 -3.361 1.00 14.52 O ATOM 845 CG2 THR A 53 12.398 -7.628 -2.609 1.00 34.52 C ATOM 0 H THR A 53 15.290 -7.843 -0.980 1.00 53.14 H new ATOM 0 HA THR A 53 12.782 -9.227 -0.308 1.00 23.52 H new ATOM 0 HB THR A 53 12.374 -9.764 -2.612 1.00 31.55 H new ATOM 0 HG1 THR A 53 13.830 -8.984 -4.273 1.00 14.52 H new ATOM 0 HG21 THR A 53 12.032 -7.544 -3.632 1.00 34.52 H new ATOM 0 HG22 THR A 53 11.559 -7.558 -1.917 1.00 34.52 H new ATOM 0 HG23 THR A 53 13.102 -6.821 -2.408 1.00 34.52 H new ATOM 853 N SER A 54 13.868 -11.513 -0.691 1.00 33.31 N ATOM 854 CA SER A 54 14.589 -12.777 -0.591 1.00 24.22 C ATOM 855 C SER A 54 15.227 -13.145 -1.927 1.00 33.12 C ATOM 856 O SER A 54 16.234 -13.850 -1.971 1.00 4.35 O ATOM 857 CB SER A 54 13.646 -13.892 -0.137 1.00 12.30 C ATOM 858 OG SER A 54 13.958 -15.116 -0.780 1.00 74.14 O ATOM 0 H SER A 54 12.857 -11.594 -0.579 1.00 33.31 H new ATOM 0 HA SER A 54 15.381 -12.658 0.149 1.00 24.22 H new ATOM 0 HB2 SER A 54 13.718 -14.016 0.943 1.00 12.30 H new ATOM 0 HB3 SER A 54 12.616 -13.614 -0.358 1.00 12.30 H new ATOM 0 HG SER A 54 13.342 -15.814 -0.472 1.00 74.14 H new ATOM 864 N GLU A 55 14.630 -12.664 -3.013 1.00 33.55 N ATOM 865 CA GLU A 55 15.138 -12.944 -4.350 1.00 3.04 C ATOM 866 C GLU A 55 16.383 -12.111 -4.644 1.00 54.24 C ATOM 867 O GLU A 55 17.378 -12.623 -5.157 1.00 63.52 O ATOM 868 CB GLU A 55 14.061 -12.659 -5.399 1.00 43.53 C ATOM 869 CG GLU A 55 12.919 -13.661 -5.387 1.00 20.12 C ATOM 870 CD GLU A 55 12.526 -14.115 -6.779 1.00 33.05 C ATOM 871 OE1 GLU A 55 13.407 -14.607 -7.514 1.00 13.41 O ATOM 872 OE2 GLU A 55 11.337 -13.976 -7.134 1.00 35.14 O ATOM 0 H GLU A 55 13.795 -12.079 -2.993 1.00 33.55 H new ATOM 0 HA GLU A 55 15.408 -13.999 -4.395 1.00 3.04 H new ATOM 0 HB2 GLU A 55 13.658 -11.660 -5.232 1.00 43.53 H new ATOM 0 HB3 GLU A 55 14.520 -12.656 -6.387 1.00 43.53 H new ATOM 0 HG2 GLU A 55 13.208 -14.529 -4.794 1.00 20.12 H new ATOM 0 HG3 GLU A 55 12.054 -13.214 -4.897 1.00 20.12 H new ATOM 879 N GLY A 56 16.318 -10.824 -4.316 1.00 51.54 N ATOM 880 CA GLY A 56 17.445 -9.942 -4.553 1.00 0.14 C ATOM 881 C GLY A 56 18.736 -10.480 -3.970 1.00 63.24 C ATOM 882 O GLY A 56 19.785 -10.428 -4.613 1.00 4.30 O ATOM 0 H GLY A 56 15.506 -10.377 -3.891 1.00 51.54 H new ATOM 0 HA2 GLY A 56 17.568 -9.795 -5.626 1.00 0.14 H new ATOM 0 HA3 GLY A 56 17.234 -8.964 -4.120 1.00 0.14 H new ATOM 886 N CYS A 57 18.662 -10.999 -2.750 1.00 74.23 N ATOM 887 CA CYS A 57 19.834 -11.548 -2.078 1.00 44.22 C ATOM 888 C CYS A 57 20.354 -12.780 -2.813 1.00 40.03 C ATOM 889 O CYS A 57 21.563 -12.976 -2.940 1.00 1.00 O ATOM 890 CB CYS A 57 19.499 -11.906 -0.631 1.00 63.44 C ATOM 891 SG CYS A 57 20.222 -10.788 0.593 1.00 43.25 S ATOM 0 H CYS A 57 17.801 -11.051 -2.205 1.00 74.23 H new ATOM 0 HA CYS A 57 20.614 -10.787 -2.083 1.00 44.22 H new ATOM 0 HB2 CYS A 57 18.416 -11.908 -0.510 1.00 63.44 H new ATOM 0 HB3 CYS A 57 19.844 -12.920 -0.430 1.00 63.44 H new ATOM 0 HG CYS A 57 19.880 -11.172 1.787 1.00 43.25 H new ATOM 897 N ARG A 58 19.432 -13.610 -3.292 1.00 23.15 N ATOM 898 CA ARG A 58 19.797 -14.824 -4.010 1.00 14.10 C ATOM 899 C ARG A 58 20.772 -14.515 -5.141 1.00 45.12 C ATOM 900 O ARG A 58 21.623 -15.337 -5.482 1.00 23.21 O ATOM 901 CB ARG A 58 18.547 -15.505 -4.572 1.00 33.35 C ATOM 902 CG ARG A 58 18.837 -16.807 -5.299 1.00 13.42 C ATOM 903 CD ARG A 58 17.556 -17.553 -5.639 1.00 71.23 C ATOM 904 NE ARG A 58 16.984 -18.217 -4.471 1.00 75.30 N ATOM 905 CZ ARG A 58 15.908 -18.996 -4.521 1.00 25.33 C ATOM 906 NH1 ARG A 58 15.292 -19.206 -5.676 1.00 74.23 N ATOM 907 NH2 ARG A 58 15.448 -19.565 -3.414 1.00 30.12 N ATOM 0 H ARG A 58 18.427 -13.463 -3.195 1.00 23.15 H new ATOM 0 HA ARG A 58 20.285 -15.499 -3.307 1.00 14.10 H new ATOM 0 HB2 ARG A 58 17.853 -15.702 -3.755 1.00 33.35 H new ATOM 0 HB3 ARG A 58 18.047 -14.820 -5.257 1.00 33.35 H new ATOM 0 HG2 ARG A 58 19.391 -16.598 -6.214 1.00 13.42 H new ATOM 0 HG3 ARG A 58 19.473 -17.438 -4.678 1.00 13.42 H new ATOM 0 HD2 ARG A 58 16.828 -16.854 -6.052 1.00 71.23 H new ATOM 0 HD3 ARG A 58 17.762 -18.293 -6.412 1.00 71.23 H new ATOM 0 HE ARG A 58 17.435 -18.075 -3.567 1.00 75.30 H new ATOM 0 HH11 ARG A 58 15.644 -18.770 -6.528 1.00 74.23 H new ATOM 0 HH12 ARG A 58 14.467 -19.804 -5.712 1.00 74.23 H new ATOM 0 HH21 ARG A 58 15.920 -19.405 -2.524 1.00 30.12 H new ATOM 0 HH22 ARG A 58 14.622 -20.163 -3.453 1.00 30.12 H new ATOM 921 N GLN A 59 20.642 -13.325 -5.719 1.00 52.13 N ATOM 922 CA GLN A 59 21.512 -12.909 -6.812 1.00 10.44 C ATOM 923 C GLN A 59 22.821 -12.335 -6.279 1.00 14.24 C ATOM 924 O GLN A 59 23.878 -12.506 -6.887 1.00 24.23 O ATOM 925 CB GLN A 59 20.806 -11.871 -7.687 1.00 52.41 C ATOM 926 CG GLN A 59 20.132 -12.466 -8.913 1.00 50.33 C ATOM 927 CD GLN A 59 19.291 -11.455 -9.666 1.00 72.32 C ATOM 928 OE1 GLN A 59 19.551 -11.159 -10.833 1.00 73.21 O ATOM 929 NE2 GLN A 59 18.274 -10.918 -9.001 1.00 72.13 N ATOM 0 H GLN A 59 19.943 -12.633 -5.449 1.00 52.13 H new ATOM 0 HA GLN A 59 21.741 -13.788 -7.415 1.00 10.44 H new ATOM 0 HB2 GLN A 59 20.058 -11.351 -7.088 1.00 52.41 H new ATOM 0 HB3 GLN A 59 21.532 -11.124 -8.008 1.00 52.41 H new ATOM 0 HG2 GLN A 59 20.893 -12.869 -9.581 1.00 50.33 H new ATOM 0 HG3 GLN A 59 19.502 -13.301 -8.607 1.00 50.33 H new ATOM 0 HE21 GLN A 59 18.095 -11.192 -8.035 1.00 72.13 H new ATOM 0 HE22 GLN A 59 17.672 -10.232 -9.456 1.00 72.13 H new ATOM 938 N ILE A 60 22.741 -11.654 -5.142 1.00 23.33 N ATOM 939 CA ILE A 60 23.920 -11.055 -4.527 1.00 72.50 C ATOM 940 C ILE A 60 24.891 -12.126 -4.042 1.00 41.42 C ATOM 941 O ILE A 60 26.109 -11.965 -4.139 1.00 55.23 O ATOM 942 CB ILE A 60 23.538 -10.150 -3.340 1.00 53.01 C ATOM 943 CG1 ILE A 60 22.589 -9.042 -3.800 1.00 2.02 C ATOM 944 CG2 ILE A 60 24.786 -9.556 -2.704 1.00 52.01 C ATOM 945 CD1 ILE A 60 21.825 -8.391 -2.668 1.00 42.14 C ATOM 0 H ILE A 60 21.873 -11.503 -4.628 1.00 23.33 H new ATOM 0 HA ILE A 60 24.403 -10.450 -5.294 1.00 72.50 H new ATOM 0 HB ILE A 60 23.025 -10.754 -2.592 1.00 53.01 H new ATOM 0 HG12 ILE A 60 23.163 -8.279 -4.326 1.00 2.02 H new ATOM 0 HG13 ILE A 60 21.879 -9.457 -4.515 1.00 2.02 H new ATOM 0 HG21 ILE A 60 24.500 -8.919 -1.867 1.00 52.01 H new ATOM 0 HG22 ILE A 60 25.429 -10.360 -2.345 1.00 52.01 H new ATOM 0 HG23 ILE A 60 25.324 -8.963 -3.444 1.00 52.01 H new ATOM 0 HD11 ILE A 60 21.172 -7.615 -3.068 1.00 42.14 H new ATOM 0 HD12 ILE A 60 21.224 -9.142 -2.155 1.00 42.14 H new ATOM 0 HD13 ILE A 60 22.528 -7.946 -1.964 1.00 42.14 H new ATOM 957 N LEU A 61 24.346 -13.221 -3.523 1.00 22.33 N ATOM 958 CA LEU A 61 25.164 -14.320 -3.024 1.00 52.51 C ATOM 959 C LEU A 61 25.663 -15.191 -4.174 1.00 24.32 C ATOM 960 O LEU A 61 26.701 -15.844 -4.066 1.00 33.30 O ATOM 961 CB LEU A 61 24.363 -15.170 -2.037 1.00 75.11 C ATOM 962 CG LEU A 61 23.875 -14.454 -0.776 1.00 14.52 C ATOM 963 CD1 LEU A 61 22.582 -15.078 -0.275 1.00 75.12 C ATOM 964 CD2 LEU A 61 24.943 -14.493 0.306 1.00 20.31 C ATOM 0 H LEU A 61 23.341 -13.371 -3.437 1.00 22.33 H new ATOM 0 HA LEU A 61 26.027 -13.896 -2.511 1.00 52.51 H new ATOM 0 HB2 LEU A 61 23.496 -15.576 -2.558 1.00 75.11 H new ATOM 0 HB3 LEU A 61 24.979 -16.017 -1.734 1.00 75.11 H new ATOM 0 HG LEU A 61 23.678 -13.412 -1.026 1.00 14.52 H new ATOM 0 HD11 LEU A 61 22.250 -14.556 0.622 1.00 75.12 H new ATOM 0 HD12 LEU A 61 21.816 -14.997 -1.046 1.00 75.12 H new ATOM 0 HD13 LEU A 61 22.752 -16.129 -0.041 1.00 75.12 H new ATOM 0 HD21 LEU A 61 24.579 -13.979 1.196 1.00 20.31 H new ATOM 0 HD22 LEU A 61 25.172 -15.529 0.554 1.00 20.31 H new ATOM 0 HD23 LEU A 61 25.845 -13.998 -0.055 1.00 20.31 H new ATOM 976 N GLY A 62 24.918 -15.194 -5.275 1.00 12.12 N ATOM 977 CA GLY A 62 25.303 -15.985 -6.429 1.00 60.45 C ATOM 978 C GLY A 62 26.537 -15.441 -7.120 1.00 51.00 C ATOM 979 O GLY A 62 27.202 -16.157 -7.869 1.00 65.31 O ATOM 0 H GLY A 62 24.055 -14.663 -5.388 1.00 12.12 H new ATOM 0 HA2 GLY A 62 25.489 -17.012 -6.116 1.00 60.45 H new ATOM 0 HA3 GLY A 62 24.476 -16.013 -7.138 1.00 60.45 H new ATOM 983 N GLN A 63 26.843 -14.172 -6.869 1.00 11.23 N ATOM 984 CA GLN A 63 28.004 -13.532 -7.476 1.00 55.52 C ATOM 985 C GLN A 63 29.227 -13.657 -6.574 1.00 32.22 C ATOM 986 O GLN A 63 30.365 -13.636 -7.045 1.00 2.11 O ATOM 987 CB GLN A 63 27.712 -12.058 -7.758 1.00 55.41 C ATOM 988 CG GLN A 63 27.445 -11.760 -9.224 1.00 4.40 C ATOM 989 CD GLN A 63 26.862 -10.377 -9.443 1.00 71.54 C ATOM 990 OE1 GLN A 63 27.456 -9.372 -9.055 1.00 45.01 O ATOM 991 NE2 GLN A 63 25.690 -10.321 -10.066 1.00 42.13 N ATOM 0 H GLN A 63 26.303 -13.567 -6.250 1.00 11.23 H new ATOM 0 HA GLN A 63 28.216 -14.039 -8.418 1.00 55.52 H new ATOM 0 HB2 GLN A 63 26.848 -11.748 -7.170 1.00 55.41 H new ATOM 0 HB3 GLN A 63 28.558 -11.458 -7.422 1.00 55.41 H new ATOM 0 HG2 GLN A 63 28.376 -11.851 -9.784 1.00 4.40 H new ATOM 0 HG3 GLN A 63 26.759 -12.507 -9.623 1.00 4.40 H new ATOM 0 HE21 GLN A 63 25.233 -11.180 -10.371 1.00 42.13 H new ATOM 0 HE22 GLN A 63 25.247 -9.419 -10.240 1.00 42.13 H new ATOM 1000 N LEU A 64 28.986 -13.788 -5.274 1.00 4.04 N ATOM 1001 CA LEU A 64 30.068 -13.915 -4.304 1.00 63.05 C ATOM 1002 C LEU A 64 30.400 -15.382 -4.049 1.00 40.12 C ATOM 1003 O LEU A 64 31.525 -15.718 -3.681 1.00 60.54 O ATOM 1004 CB LEU A 64 29.685 -13.231 -2.991 1.00 63.55 C ATOM 1005 CG LEU A 64 29.265 -11.765 -3.094 1.00 43.41 C ATOM 1006 CD1 LEU A 64 28.963 -11.197 -1.716 1.00 55.41 C ATOM 1007 CD2 LEU A 64 30.349 -10.948 -3.784 1.00 31.14 C ATOM 0 H LEU A 64 28.051 -13.809 -4.867 1.00 4.04 H new ATOM 0 HA LEU A 64 30.952 -13.428 -4.716 1.00 63.05 H new ATOM 0 HB2 LEU A 64 28.867 -13.791 -2.538 1.00 63.55 H new ATOM 0 HB3 LEU A 64 30.533 -13.298 -2.309 1.00 63.55 H new ATOM 0 HG LEU A 64 28.357 -11.708 -3.694 1.00 43.41 H new ATOM 0 HD11 LEU A 64 28.666 -10.153 -1.810 1.00 55.41 H new ATOM 0 HD12 LEU A 64 28.153 -11.765 -1.258 1.00 55.41 H new ATOM 0 HD13 LEU A 64 29.853 -11.266 -1.091 1.00 55.41 H new ATOM 0 HD21 LEU A 64 30.034 -9.907 -3.849 1.00 31.14 H new ATOM 0 HD22 LEU A 64 31.274 -11.012 -3.210 1.00 31.14 H new ATOM 0 HD23 LEU A 64 30.517 -11.340 -4.787 1.00 31.14 H new ATOM 1019 N GLN A 65 29.414 -16.251 -4.249 1.00 23.35 N ATOM 1020 CA GLN A 65 29.602 -17.681 -4.041 1.00 43.45 C ATOM 1021 C GLN A 65 30.824 -18.186 -4.804 1.00 23.22 C ATOM 1022 O GLN A 65 31.788 -18.681 -4.221 1.00 41.23 O ATOM 1023 CB GLN A 65 28.357 -18.451 -4.485 1.00 23.11 C ATOM 1024 CG GLN A 65 27.460 -18.873 -3.332 1.00 25.54 C ATOM 1025 CD GLN A 65 26.300 -19.740 -3.781 1.00 5.22 C ATOM 1026 OE1 GLN A 65 25.137 -19.386 -3.591 1.00 51.52 O ATOM 1027 NE2 GLN A 65 26.613 -20.882 -4.380 1.00 5.22 N ATOM 0 H GLN A 65 28.477 -15.989 -4.555 1.00 23.35 H new ATOM 0 HA GLN A 65 29.765 -17.849 -2.976 1.00 43.45 H new ATOM 0 HB2 GLN A 65 27.783 -17.831 -5.173 1.00 23.11 H new ATOM 0 HB3 GLN A 65 28.666 -19.338 -5.038 1.00 23.11 H new ATOM 0 HG2 GLN A 65 28.052 -19.418 -2.597 1.00 25.54 H new ATOM 0 HG3 GLN A 65 27.073 -17.984 -2.834 1.00 25.54 H new ATOM 0 HE21 GLN A 65 27.592 -21.135 -4.516 1.00 5.22 H new ATOM 0 HE22 GLN A 65 25.875 -21.507 -4.704 1.00 5.22 H new ATOM 1036 N PRO A 66 30.784 -18.057 -6.139 1.00 31.33 N ATOM 1037 CA PRO A 66 31.879 -18.494 -7.009 1.00 2.45 C ATOM 1038 C PRO A 66 33.119 -17.618 -6.864 1.00 32.23 C ATOM 1039 O PRO A 66 34.214 -18.004 -7.272 1.00 23.03 O ATOM 1040 CB PRO A 66 31.290 -18.358 -8.416 1.00 21.40 C ATOM 1041 CG PRO A 66 30.232 -17.317 -8.284 1.00 0.01 C ATOM 1042 CD PRO A 66 29.666 -17.475 -6.901 1.00 62.43 C ATOM 0 HA PRO A 66 32.214 -19.503 -6.768 1.00 2.45 H new ATOM 0 HB2 PRO A 66 32.051 -18.060 -9.137 1.00 21.40 H new ATOM 0 HB3 PRO A 66 30.874 -19.303 -8.764 1.00 21.40 H new ATOM 0 HG2 PRO A 66 30.647 -16.319 -8.424 1.00 0.01 H new ATOM 0 HG3 PRO A 66 29.458 -17.449 -9.040 1.00 0.01 H new ATOM 0 HD2 PRO A 66 29.351 -16.518 -6.484 1.00 62.43 H new ATOM 0 HD3 PRO A 66 28.793 -18.128 -6.896 1.00 62.43 H new ATOM 1050 N SER A 67 32.939 -16.438 -6.280 1.00 21.21 N ATOM 1051 CA SER A 67 34.043 -15.505 -6.084 1.00 42.23 C ATOM 1052 C SER A 67 34.526 -15.531 -4.637 1.00 54.02 C ATOM 1053 O SER A 67 35.070 -14.547 -4.133 1.00 13.23 O ATOM 1054 CB SER A 67 33.615 -14.087 -6.466 1.00 61.31 C ATOM 1055 OG SER A 67 34.740 -13.277 -6.763 1.00 55.35 O ATOM 0 H SER A 67 32.039 -16.105 -5.934 1.00 21.21 H new ATOM 0 HA SER A 67 34.866 -15.814 -6.729 1.00 42.23 H new ATOM 0 HB2 SER A 67 32.952 -14.124 -7.330 1.00 61.31 H new ATOM 0 HB3 SER A 67 33.048 -13.642 -5.648 1.00 61.31 H new ATOM 0 HG SER A 67 35.386 -13.333 -6.028 1.00 55.35 H new ATOM 1061 N LEU A 68 34.324 -16.664 -3.973 1.00 13.20 N ATOM 1062 CA LEU A 68 34.738 -16.820 -2.583 1.00 34.33 C ATOM 1063 C LEU A 68 36.222 -17.159 -2.491 1.00 5.32 C ATOM 1064 O LEU A 68 36.935 -16.637 -1.635 1.00 24.51 O ATOM 1065 CB LEU A 68 33.911 -17.913 -1.904 1.00 61.44 C ATOM 1066 CG LEU A 68 32.704 -17.438 -1.095 1.00 0.13 C ATOM 1067 CD1 LEU A 68 31.936 -18.624 -0.533 1.00 13.54 C ATOM 1068 CD2 LEU A 68 33.145 -16.508 0.026 1.00 5.24 C ATOM 0 H LEU A 68 33.876 -17.488 -4.375 1.00 13.20 H new ATOM 0 HA LEU A 68 34.568 -15.873 -2.071 1.00 34.33 H new ATOM 0 HB2 LEU A 68 33.560 -18.604 -2.671 1.00 61.44 H new ATOM 0 HB3 LEU A 68 34.567 -18.478 -1.242 1.00 61.44 H new ATOM 0 HG LEU A 68 32.041 -16.885 -1.761 1.00 0.13 H new ATOM 0 HD11 LEU A 68 31.081 -18.265 0.040 1.00 13.54 H new ATOM 0 HD12 LEU A 68 31.586 -19.252 -1.352 1.00 13.54 H new ATOM 0 HD13 LEU A 68 32.590 -19.206 0.117 1.00 13.54 H new ATOM 0 HD21 LEU A 68 32.273 -16.180 0.591 1.00 5.24 H new ATOM 0 HD22 LEU A 68 33.829 -17.037 0.690 1.00 5.24 H new ATOM 0 HD23 LEU A 68 33.650 -15.640 -0.399 1.00 5.24 H new ATOM 1080 N GLN A 69 36.681 -18.033 -3.381 1.00 15.32 N ATOM 1081 CA GLN A 69 38.081 -18.440 -3.402 1.00 33.54 C ATOM 1082 C GLN A 69 38.986 -17.255 -3.721 1.00 24.04 C ATOM 1083 O GLN A 69 40.025 -17.064 -3.086 1.00 1.34 O ATOM 1084 CB GLN A 69 38.296 -19.552 -4.428 1.00 50.53 C ATOM 1085 CG GLN A 69 39.429 -20.500 -4.070 1.00 72.53 C ATOM 1086 CD GLN A 69 39.203 -21.905 -4.593 1.00 1.25 C ATOM 1087 OE1 GLN A 69 39.101 -22.859 -3.821 1.00 3.33 O ATOM 1088 NE2 GLN A 69 39.122 -22.039 -5.912 1.00 54.01 N ATOM 0 H GLN A 69 36.103 -18.473 -4.097 1.00 15.32 H new ATOM 0 HA GLN A 69 38.339 -18.816 -2.412 1.00 33.54 H new ATOM 0 HB2 GLN A 69 37.374 -20.124 -4.530 1.00 50.53 H new ATOM 0 HB3 GLN A 69 38.502 -19.103 -5.400 1.00 50.53 H new ATOM 0 HG2 GLN A 69 40.364 -20.112 -4.475 1.00 72.53 H new ATOM 0 HG3 GLN A 69 39.541 -20.534 -2.986 1.00 72.53 H new ATOM 0 HE21 GLN A 69 39.212 -21.221 -6.514 1.00 54.01 H new ATOM 0 HE22 GLN A 69 38.969 -22.960 -6.323 1.00 54.01 H new ATOM 1097 N THR A 70 38.587 -16.460 -4.709 1.00 64.41 N ATOM 1098 CA THR A 70 39.364 -15.295 -5.113 1.00 14.31 C ATOM 1099 C THR A 70 38.777 -14.014 -4.531 1.00 5.52 C ATOM 1100 O THR A 70 38.836 -12.955 -5.153 1.00 34.04 O ATOM 1101 CB THR A 70 39.426 -15.167 -6.647 1.00 3.33 C ATOM 1102 OG1 THR A 70 39.490 -16.466 -7.246 1.00 23.11 O ATOM 1103 CG2 THR A 70 40.635 -14.346 -7.073 1.00 62.34 C ATOM 0 H THR A 70 37.730 -16.602 -5.244 1.00 64.41 H new ATOM 0 HA THR A 70 40.373 -15.438 -4.726 1.00 14.31 H new ATOM 0 HB THR A 70 38.523 -14.657 -6.983 1.00 3.33 H new ATOM 0 HG1 THR A 70 39.527 -16.375 -8.221 1.00 23.11 H new ATOM 0 HG21 THR A 70 40.658 -14.269 -8.160 1.00 62.34 H new ATOM 0 HG22 THR A 70 40.568 -13.348 -6.640 1.00 62.34 H new ATOM 0 HG23 THR A 70 41.546 -14.832 -6.724 1.00 62.34 H new ATOM 1111 N GLY A 71 38.212 -14.119 -3.332 1.00 54.41 N ATOM 1112 CA GLY A 71 37.623 -12.960 -2.686 1.00 52.55 C ATOM 1113 C GLY A 71 38.404 -12.520 -1.464 1.00 31.43 C ATOM 1114 O GLY A 71 38.560 -13.282 -0.511 1.00 62.33 O ATOM 0 H GLY A 71 38.152 -14.985 -2.797 1.00 54.41 H new ATOM 0 HA2 GLY A 71 37.574 -12.136 -3.398 1.00 52.55 H new ATOM 0 HA3 GLY A 71 36.598 -13.191 -2.395 1.00 52.55 H new ATOM 1118 N SER A 72 38.896 -11.285 -1.492 1.00 43.24 N ATOM 1119 CA SER A 72 39.670 -10.746 -0.380 1.00 73.31 C ATOM 1120 C SER A 72 38.795 -10.578 0.859 1.00 60.33 C ATOM 1121 O SER A 72 37.602 -10.878 0.835 1.00 52.14 O ATOM 1122 CB SER A 72 40.289 -9.402 -0.766 1.00 12.45 C ATOM 1123 OG SER A 72 39.832 -8.977 -2.039 1.00 13.04 O ATOM 0 H SER A 72 38.772 -10.640 -2.272 1.00 43.24 H new ATOM 0 HA SER A 72 40.467 -11.452 -0.148 1.00 73.31 H new ATOM 0 HB2 SER A 72 40.036 -8.653 -0.016 1.00 12.45 H new ATOM 0 HB3 SER A 72 41.376 -9.488 -0.776 1.00 12.45 H new ATOM 0 HG SER A 72 40.241 -8.115 -2.262 1.00 13.04 H new ATOM 1129 N GLU A 73 39.399 -10.096 1.941 1.00 30.50 N ATOM 1130 CA GLU A 73 38.676 -9.889 3.191 1.00 11.12 C ATOM 1131 C GLU A 73 37.425 -9.045 2.962 1.00 73.14 C ATOM 1132 O GLU A 73 36.434 -9.180 3.679 1.00 41.01 O ATOM 1133 CB GLU A 73 39.579 -9.211 4.223 1.00 41.44 C ATOM 1134 CG GLU A 73 39.953 -7.784 3.861 1.00 21.41 C ATOM 1135 CD GLU A 73 41.088 -7.244 4.710 1.00 72.13 C ATOM 1136 OE1 GLU A 73 41.182 -7.635 5.892 1.00 24.52 O ATOM 1137 OE2 GLU A 73 41.882 -6.432 4.190 1.00 74.02 O ATOM 0 H GLU A 73 40.386 -9.842 1.977 1.00 30.50 H new ATOM 0 HA GLU A 73 38.372 -10.865 3.570 1.00 11.12 H new ATOM 0 HB2 GLU A 73 39.076 -9.211 5.190 1.00 41.44 H new ATOM 0 HB3 GLU A 73 40.490 -9.798 4.338 1.00 41.44 H new ATOM 0 HG2 GLU A 73 40.239 -7.743 2.810 1.00 21.41 H new ATOM 0 HG3 GLU A 73 39.080 -7.143 3.979 1.00 21.41 H new ATOM 1144 N GLU A 74 37.481 -8.176 1.958 1.00 35.25 N ATOM 1145 CA GLU A 74 36.352 -7.309 1.636 1.00 44.43 C ATOM 1146 C GLU A 74 35.165 -8.126 1.134 1.00 22.22 C ATOM 1147 O GLU A 74 34.018 -7.861 1.495 1.00 14.23 O ATOM 1148 CB GLU A 74 36.758 -6.278 0.581 1.00 25.02 C ATOM 1149 CG GLU A 74 36.201 -4.888 0.842 1.00 72.05 C ATOM 1150 CD GLU A 74 36.786 -3.842 -0.086 1.00 23.20 C ATOM 1151 OE1 GLU A 74 37.331 -4.224 -1.143 1.00 73.34 O ATOM 1152 OE2 GLU A 74 36.700 -2.641 0.245 1.00 34.13 O ATOM 0 H GLU A 74 38.294 -8.053 1.354 1.00 35.25 H new ATOM 0 HA GLU A 74 36.054 -6.789 2.547 1.00 44.43 H new ATOM 0 HB2 GLU A 74 37.846 -6.222 0.539 1.00 25.02 H new ATOM 0 HB3 GLU A 74 36.418 -6.619 -0.397 1.00 25.02 H new ATOM 0 HG2 GLU A 74 35.117 -4.907 0.725 1.00 72.05 H new ATOM 0 HG3 GLU A 74 36.405 -4.607 1.875 1.00 72.05 H new ATOM 1159 N LEU A 75 35.448 -9.121 0.300 1.00 3.12 N ATOM 1160 CA LEU A 75 34.404 -9.977 -0.253 1.00 65.31 C ATOM 1161 C LEU A 75 33.856 -10.921 0.811 1.00 55.14 C ATOM 1162 O LEU A 75 32.663 -11.226 0.830 1.00 2.44 O ATOM 1163 CB LEU A 75 34.950 -10.781 -1.434 1.00 1.31 C ATOM 1164 CG LEU A 75 33.908 -11.485 -2.305 1.00 23.22 C ATOM 1165 CD1 LEU A 75 34.356 -11.509 -3.758 1.00 2.33 C ATOM 1166 CD2 LEU A 75 33.657 -12.898 -1.799 1.00 32.30 C ATOM 0 H LEU A 75 36.392 -9.355 -0.008 1.00 3.12 H new ATOM 0 HA LEU A 75 33.591 -9.340 -0.601 1.00 65.31 H new ATOM 0 HB2 LEU A 75 35.530 -10.110 -2.067 1.00 1.31 H new ATOM 0 HB3 LEU A 75 35.640 -11.532 -1.049 1.00 1.31 H new ATOM 0 HG LEU A 75 32.974 -10.927 -2.243 1.00 23.22 H new ATOM 0 HD11 LEU A 75 33.603 -12.014 -4.363 1.00 2.33 H new ATOM 0 HD12 LEU A 75 34.484 -10.488 -4.116 1.00 2.33 H new ATOM 0 HD13 LEU A 75 35.303 -12.043 -3.838 1.00 2.33 H new ATOM 0 HD21 LEU A 75 32.913 -13.384 -2.430 1.00 32.30 H new ATOM 0 HD22 LEU A 75 34.587 -13.466 -1.831 1.00 32.30 H new ATOM 0 HD23 LEU A 75 33.291 -12.857 -0.773 1.00 32.30 H new ATOM 1178 N ARG A 76 34.734 -11.381 1.697 1.00 34.10 N ATOM 1179 CA ARG A 76 34.336 -12.290 2.764 1.00 63.44 C ATOM 1180 C ARG A 76 33.246 -11.668 3.632 1.00 60.11 C ATOM 1181 O ARG A 76 32.181 -12.254 3.824 1.00 61.33 O ATOM 1182 CB ARG A 76 35.545 -12.655 3.629 1.00 31.32 C ATOM 1183 CG ARG A 76 35.548 -14.103 4.092 1.00 22.54 C ATOM 1184 CD ARG A 76 36.686 -14.374 5.064 1.00 3.14 C ATOM 1185 NE ARG A 76 36.611 -13.519 6.247 1.00 41.34 N ATOM 1186 CZ ARG A 76 37.524 -13.519 7.211 1.00 42.32 C ATOM 1187 NH1 ARG A 76 38.576 -14.322 7.134 1.00 3.32 N ATOM 1188 NH2 ARG A 76 37.387 -12.712 8.256 1.00 52.55 N ATOM 0 H ARG A 76 35.725 -11.139 1.696 1.00 34.10 H new ATOM 0 HA ARG A 76 33.938 -13.195 2.305 1.00 63.44 H new ATOM 0 HB2 ARG A 76 36.457 -12.461 3.064 1.00 31.32 H new ATOM 0 HB3 ARG A 76 35.566 -12.003 4.502 1.00 31.32 H new ATOM 0 HG2 ARG A 76 34.596 -14.335 4.570 1.00 22.54 H new ATOM 0 HG3 ARG A 76 35.640 -14.762 3.229 1.00 22.54 H new ATOM 0 HD2 ARG A 76 36.660 -15.420 5.370 1.00 3.14 H new ATOM 0 HD3 ARG A 76 37.639 -14.213 4.560 1.00 3.14 H new ATOM 0 HE ARG A 76 35.814 -12.888 6.337 1.00 41.34 H new ATOM 0 HH11 ARG A 76 38.686 -14.943 6.332 1.00 3.32 H new ATOM 0 HH12 ARG A 76 39.275 -14.319 7.877 1.00 3.32 H new ATOM 0 HH21 ARG A 76 36.580 -12.091 8.319 1.00 52.55 H new ATOM 0 HH22 ARG A 76 38.089 -12.713 8.996 1.00 52.55 H new ATOM 1202 N SER A 77 33.520 -10.476 4.154 1.00 64.13 N ATOM 1203 CA SER A 77 32.565 -9.776 5.004 1.00 62.14 C ATOM 1204 C SER A 77 31.203 -9.677 4.324 1.00 73.33 C ATOM 1205 O SER A 77 30.164 -9.845 4.964 1.00 33.34 O ATOM 1206 CB SER A 77 33.083 -8.376 5.342 1.00 33.33 C ATOM 1207 OG SER A 77 34.034 -8.423 6.390 1.00 44.33 O ATOM 0 H SER A 77 34.396 -9.975 4.003 1.00 64.13 H new ATOM 0 HA SER A 77 32.450 -10.346 5.926 1.00 62.14 H new ATOM 0 HB2 SER A 77 33.535 -7.929 4.457 1.00 33.33 H new ATOM 0 HB3 SER A 77 32.249 -7.737 5.632 1.00 33.33 H new ATOM 0 HG SER A 77 34.350 -7.516 6.585 1.00 44.33 H new ATOM 1213 N LEU A 78 31.217 -9.404 3.025 1.00 74.14 N ATOM 1214 CA LEU A 78 29.982 -9.283 2.256 1.00 61.24 C ATOM 1215 C LEU A 78 29.177 -10.577 2.312 1.00 13.32 C ATOM 1216 O LEU A 78 28.030 -10.587 2.760 1.00 51.01 O ATOM 1217 CB LEU A 78 30.297 -8.928 0.802 1.00 13.20 C ATOM 1218 CG LEU A 78 30.068 -7.470 0.402 1.00 32.34 C ATOM 1219 CD1 LEU A 78 28.623 -7.067 0.659 1.00 43.15 C ATOM 1220 CD2 LEU A 78 31.020 -6.554 1.157 1.00 21.24 C ATOM 0 H LEU A 78 32.068 -9.262 2.481 1.00 74.14 H new ATOM 0 HA LEU A 78 29.384 -8.485 2.698 1.00 61.24 H new ATOM 0 HB2 LEU A 78 31.340 -9.178 0.606 1.00 13.20 H new ATOM 0 HB3 LEU A 78 29.690 -9.561 0.155 1.00 13.20 H new ATOM 0 HG LEU A 78 30.268 -7.370 -0.665 1.00 32.34 H new ATOM 0 HD11 LEU A 78 28.478 -6.026 0.369 1.00 43.15 H new ATOM 0 HD12 LEU A 78 27.958 -7.703 0.074 1.00 43.15 H new ATOM 0 HD13 LEU A 78 28.396 -7.183 1.719 1.00 43.15 H new ATOM 0 HD21 LEU A 78 30.843 -5.520 0.860 1.00 21.24 H new ATOM 0 HD22 LEU A 78 30.851 -6.657 2.229 1.00 21.24 H new ATOM 0 HD23 LEU A 78 32.049 -6.827 0.924 1.00 21.24 H new ATOM 1232 N TYR A 79 29.784 -11.667 1.856 1.00 21.22 N ATOM 1233 CA TYR A 79 29.124 -12.966 1.854 1.00 35.23 C ATOM 1234 C TYR A 79 28.569 -13.298 3.237 1.00 4.12 C ATOM 1235 O TYR A 79 27.568 -14.001 3.364 1.00 15.35 O ATOM 1236 CB TYR A 79 30.099 -14.057 1.409 1.00 32.21 C ATOM 1237 CG TYR A 79 29.420 -15.340 0.983 1.00 24.23 C ATOM 1238 CD1 TYR A 79 28.570 -15.367 -0.116 1.00 44.45 C ATOM 1239 CD2 TYR A 79 29.627 -16.523 1.681 1.00 75.22 C ATOM 1240 CE1 TYR A 79 27.947 -16.536 -0.508 1.00 43.42 C ATOM 1241 CE2 TYR A 79 29.009 -17.697 1.295 1.00 13.04 C ATOM 1242 CZ TYR A 79 28.170 -17.698 0.200 1.00 32.12 C ATOM 1243 OH TYR A 79 27.552 -18.866 -0.187 1.00 21.34 O ATOM 0 H TYR A 79 30.733 -11.676 1.483 1.00 21.22 H new ATOM 0 HA TYR A 79 28.293 -12.921 1.150 1.00 35.23 H new ATOM 0 HB2 TYR A 79 30.698 -13.681 0.580 1.00 32.21 H new ATOM 0 HB3 TYR A 79 30.786 -14.274 2.227 1.00 32.21 H new ATOM 0 HD1 TYR A 79 28.393 -14.459 -0.673 1.00 44.45 H new ATOM 0 HD2 TYR A 79 30.282 -16.525 2.540 1.00 75.22 H new ATOM 0 HE1 TYR A 79 27.289 -16.540 -1.364 1.00 43.42 H new ATOM 0 HE2 TYR A 79 29.182 -18.609 1.847 1.00 13.04 H new ATOM 0 HH TYR A 79 27.816 -19.591 0.416 1.00 21.34 H new ATOM 1253 N ASN A 80 29.228 -12.784 4.270 1.00 65.12 N ATOM 1254 CA ASN A 80 28.803 -13.025 5.644 1.00 62.52 C ATOM 1255 C ASN A 80 27.511 -12.273 5.953 1.00 43.33 C ATOM 1256 O ASN A 80 26.495 -12.877 6.300 1.00 3.34 O ATOM 1257 CB ASN A 80 29.900 -12.600 6.622 1.00 20.24 C ATOM 1258 CG ASN A 80 30.886 -13.716 6.906 1.00 54.15 C ATOM 1259 OD1 ASN A 80 30.528 -14.894 6.888 1.00 4.20 O ATOM 1260 ND2 ASN A 80 32.135 -13.350 7.170 1.00 32.22 N ATOM 0 H ASN A 80 30.058 -12.198 4.182 1.00 65.12 H new ATOM 0 HA ASN A 80 28.618 -14.093 5.759 1.00 62.52 H new ATOM 0 HB2 ASN A 80 30.434 -11.742 6.214 1.00 20.24 H new ATOM 0 HB3 ASN A 80 29.443 -12.276 7.557 1.00 20.24 H new ATOM 0 HD21 ASN A 80 32.843 -14.057 7.369 1.00 32.22 H new ATOM 0 HD22 ASN A 80 32.387 -12.362 7.174 1.00 32.22 H new ATOM 1267 N THR A 81 27.558 -10.951 5.825 1.00 42.21 N ATOM 1268 CA THR A 81 26.393 -10.116 6.090 1.00 70.31 C ATOM 1269 C THR A 81 25.235 -10.480 5.169 1.00 1.13 C ATOM 1270 O THR A 81 24.112 -10.697 5.625 1.00 51.31 O ATOM 1271 CB THR A 81 26.722 -8.621 5.917 1.00 43.51 C ATOM 1272 OG1 THR A 81 27.809 -8.256 6.775 1.00 52.31 O ATOM 1273 CG2 THR A 81 25.509 -7.760 6.233 1.00 25.14 C ATOM 0 H THR A 81 28.390 -10.435 5.539 1.00 42.21 H new ATOM 0 HA THR A 81 26.102 -10.299 7.124 1.00 70.31 H new ATOM 0 HB THR A 81 27.007 -8.452 4.879 1.00 43.51 H new ATOM 0 HG1 THR A 81 28.013 -7.305 6.658 1.00 52.31 H new ATOM 0 HG21 THR A 81 25.766 -6.709 6.104 1.00 25.14 H new ATOM 0 HG22 THR A 81 24.693 -8.020 5.559 1.00 25.14 H new ATOM 0 HG23 THR A 81 25.198 -7.934 7.263 1.00 25.14 H new ATOM 1281 N ILE A 82 25.515 -10.544 3.871 1.00 34.23 N ATOM 1282 CA ILE A 82 24.495 -10.883 2.887 1.00 70.01 C ATOM 1283 C ILE A 82 23.840 -12.222 3.212 1.00 5.40 C ATOM 1284 O ILE A 82 22.700 -12.478 2.824 1.00 24.32 O ATOM 1285 CB ILE A 82 25.083 -10.943 1.465 1.00 54.13 C ATOM 1286 CG1 ILE A 82 25.738 -9.609 1.103 1.00 20.51 C ATOM 1287 CG2 ILE A 82 23.999 -11.299 0.458 1.00 24.03 C ATOM 1288 CD1 ILE A 82 26.647 -9.689 -0.103 1.00 15.23 C ATOM 0 H ILE A 82 26.439 -10.366 3.477 1.00 34.23 H new ATOM 0 HA ILE A 82 23.743 -10.095 2.927 1.00 70.01 H new ATOM 0 HB ILE A 82 25.847 -11.720 1.436 1.00 54.13 H new ATOM 0 HG12 ILE A 82 24.959 -8.871 0.912 1.00 20.51 H new ATOM 0 HG13 ILE A 82 26.313 -9.252 1.958 1.00 20.51 H new ATOM 0 HG21 ILE A 82 24.430 -11.338 -0.542 1.00 24.03 H new ATOM 0 HG22 ILE A 82 23.575 -12.272 0.708 1.00 24.03 H new ATOM 0 HG23 ILE A 82 23.214 -10.543 0.486 1.00 24.03 H new ATOM 0 HD11 ILE A 82 27.076 -8.707 -0.301 1.00 15.23 H new ATOM 0 HD12 ILE A 82 27.448 -10.402 0.092 1.00 15.23 H new ATOM 0 HD13 ILE A 82 26.073 -10.016 -0.970 1.00 15.23 H new ATOM 1300 N ALA A 83 24.570 -13.072 3.926 1.00 53.03 N ATOM 1301 CA ALA A 83 24.060 -14.384 4.307 1.00 14.54 C ATOM 1302 C ALA A 83 23.044 -14.271 5.438 1.00 22.22 C ATOM 1303 O ALA A 83 21.956 -14.841 5.368 1.00 71.24 O ATOM 1304 CB ALA A 83 25.206 -15.298 4.713 1.00 50.21 C ATOM 0 H ALA A 83 25.516 -12.876 4.252 1.00 53.03 H new ATOM 0 HA ALA A 83 23.555 -14.815 3.443 1.00 14.54 H new ATOM 0 HB1 ALA A 83 24.811 -16.274 4.995 1.00 50.21 H new ATOM 0 HB2 ALA A 83 25.894 -15.413 3.875 1.00 50.21 H new ATOM 0 HB3 ALA A 83 25.736 -14.863 5.560 1.00 50.21 H new ATOM 1310 N VAL A 84 23.406 -13.530 6.481 1.00 5.01 N ATOM 1311 CA VAL A 84 22.526 -13.341 7.627 1.00 53.14 C ATOM 1312 C VAL A 84 21.203 -12.710 7.207 1.00 41.32 C ATOM 1313 O VAL A 84 20.146 -13.046 7.740 1.00 72.43 O ATOM 1314 CB VAL A 84 23.186 -12.456 8.702 1.00 13.52 C ATOM 1315 CG1 VAL A 84 22.339 -12.428 9.965 1.00 21.12 C ATOM 1316 CG2 VAL A 84 24.593 -12.947 9.005 1.00 41.11 C ATOM 0 H VAL A 84 24.303 -13.051 6.555 1.00 5.01 H new ATOM 0 HA VAL A 84 22.337 -14.329 8.046 1.00 53.14 H new ATOM 0 HB VAL A 84 23.255 -11.438 8.318 1.00 13.52 H new ATOM 0 HG11 VAL A 84 22.821 -11.798 10.713 1.00 21.12 H new ATOM 0 HG12 VAL A 84 21.353 -12.026 9.733 1.00 21.12 H new ATOM 0 HG13 VAL A 84 22.235 -13.440 10.356 1.00 21.12 H new ATOM 0 HG21 VAL A 84 25.044 -12.311 9.766 1.00 41.11 H new ATOM 0 HG22 VAL A 84 24.550 -13.973 9.369 1.00 41.11 H new ATOM 0 HG23 VAL A 84 25.195 -12.909 8.097 1.00 41.11 H new ATOM 1326 N LEU A 85 21.270 -11.795 6.248 1.00 0.52 N ATOM 1327 CA LEU A 85 20.077 -11.115 5.753 1.00 40.35 C ATOM 1328 C LEU A 85 19.220 -12.061 4.917 1.00 14.03 C ATOM 1329 O LEU A 85 18.026 -12.220 5.170 1.00 12.02 O ATOM 1330 CB LEU A 85 20.470 -9.893 4.922 1.00 55.21 C ATOM 1331 CG LEU A 85 19.437 -8.767 4.856 1.00 45.33 C ATOM 1332 CD1 LEU A 85 19.857 -7.605 5.743 1.00 60.13 C ATOM 1333 CD2 LEU A 85 19.246 -8.301 3.420 1.00 72.00 C ATOM 0 H LEU A 85 22.138 -11.506 5.797 1.00 0.52 H new ATOM 0 HA LEU A 85 19.491 -10.788 6.612 1.00 40.35 H new ATOM 0 HB2 LEU A 85 21.397 -9.486 5.327 1.00 55.21 H new ATOM 0 HB3 LEU A 85 20.684 -10.223 3.905 1.00 55.21 H new ATOM 0 HG LEU A 85 18.485 -9.152 5.222 1.00 45.33 H new ATOM 0 HD11 LEU A 85 19.110 -6.813 5.683 1.00 60.13 H new ATOM 0 HD12 LEU A 85 19.942 -7.947 6.775 1.00 60.13 H new ATOM 0 HD13 LEU A 85 20.820 -7.221 5.408 1.00 60.13 H new ATOM 0 HD21 LEU A 85 18.508 -7.500 3.393 1.00 72.00 H new ATOM 0 HD22 LEU A 85 20.194 -7.934 3.027 1.00 72.00 H new ATOM 0 HD23 LEU A 85 18.899 -9.135 2.810 1.00 72.00 H new ATOM 1345 N TYR A 86 19.838 -12.686 3.920 1.00 72.50 N ATOM 1346 CA TYR A 86 19.132 -13.615 3.046 1.00 32.44 C ATOM 1347 C TYR A 86 18.385 -14.668 3.860 1.00 24.31 C ATOM 1348 O TYR A 86 17.201 -14.921 3.632 1.00 43.32 O ATOM 1349 CB TYR A 86 20.113 -14.294 2.090 1.00 64.34 C ATOM 1350 CG TYR A 86 19.496 -15.415 1.285 1.00 20.03 C ATOM 1351 CD1 TYR A 86 18.587 -15.148 0.268 1.00 25.03 C ATOM 1352 CD2 TYR A 86 19.822 -16.742 1.540 1.00 2.43 C ATOM 1353 CE1 TYR A 86 18.021 -16.169 -0.470 1.00 0.31 C ATOM 1354 CE2 TYR A 86 19.262 -17.769 0.806 1.00 11.53 C ATOM 1355 CZ TYR A 86 18.362 -17.478 -0.197 1.00 14.13 C ATOM 1356 OH TYR A 86 17.800 -18.498 -0.931 1.00 32.33 O ATOM 0 H TYR A 86 20.826 -12.566 3.698 1.00 72.50 H new ATOM 0 HA TYR A 86 18.405 -13.047 2.466 1.00 32.44 H new ATOM 0 HB2 TYR A 86 20.517 -13.547 1.407 1.00 64.34 H new ATOM 0 HB3 TYR A 86 20.952 -14.689 2.663 1.00 64.34 H new ATOM 0 HD1 TYR A 86 18.319 -14.125 0.051 1.00 25.03 H new ATOM 0 HD2 TYR A 86 20.526 -16.974 2.326 1.00 2.43 H new ATOM 0 HE1 TYR A 86 17.316 -15.944 -1.256 1.00 0.31 H new ATOM 0 HE2 TYR A 86 19.528 -18.794 1.017 1.00 11.53 H new ATOM 0 HH TYR A 86 16.921 -18.723 -0.560 1.00 32.33 H new ATOM 1366 N CYS A 87 19.086 -15.278 4.810 1.00 20.11 N ATOM 1367 CA CYS A 87 18.491 -16.304 5.658 1.00 43.13 C ATOM 1368 C CYS A 87 17.214 -15.793 6.317 1.00 15.20 C ATOM 1369 O CYS A 87 16.252 -16.540 6.494 1.00 14.52 O ATOM 1370 CB CYS A 87 19.487 -16.750 6.729 1.00 45.33 C ATOM 1371 SG CYS A 87 20.719 -17.937 6.143 1.00 41.35 S ATOM 0 H CYS A 87 20.066 -15.080 5.012 1.00 20.11 H new ATOM 0 HA CYS A 87 18.237 -17.157 5.029 1.00 43.13 H new ATOM 0 HB2 CYS A 87 20.001 -15.872 7.120 1.00 45.33 H new ATOM 0 HB3 CYS A 87 18.937 -17.193 7.559 1.00 45.33 H new ATOM 0 HG CYS A 87 20.922 -18.839 7.057 1.00 41.35 H new ATOM 1377 N VAL A 88 17.213 -14.514 6.680 1.00 15.45 N ATOM 1378 CA VAL A 88 16.054 -13.902 7.319 1.00 50.35 C ATOM 1379 C VAL A 88 14.914 -13.710 6.324 1.00 71.54 C ATOM 1380 O VAL A 88 13.774 -14.091 6.590 1.00 52.15 O ATOM 1381 CB VAL A 88 16.411 -12.540 7.942 1.00 64.32 C ATOM 1382 CG1 VAL A 88 15.184 -11.906 8.580 1.00 11.33 C ATOM 1383 CG2 VAL A 88 17.530 -12.697 8.960 1.00 41.24 C ATOM 0 H VAL A 88 18.002 -13.882 6.542 1.00 15.45 H new ATOM 0 HA VAL A 88 15.733 -14.582 8.108 1.00 50.35 H new ATOM 0 HB VAL A 88 16.762 -11.879 7.150 1.00 64.32 H new ATOM 0 HG11 VAL A 88 15.456 -10.944 9.015 1.00 11.33 H new ATOM 0 HG12 VAL A 88 14.416 -11.757 7.822 1.00 11.33 H new ATOM 0 HG13 VAL A 88 14.800 -12.562 9.361 1.00 11.33 H new ATOM 0 HG21 VAL A 88 17.769 -11.725 9.390 1.00 41.24 H new ATOM 0 HG22 VAL A 88 17.210 -13.375 9.751 1.00 41.24 H new ATOM 0 HG23 VAL A 88 18.414 -13.104 8.469 1.00 41.24 H new ATOM 1393 N HIS A 89 15.231 -13.119 5.177 1.00 14.25 N ATOM 1394 CA HIS A 89 14.233 -12.877 4.140 1.00 64.22 C ATOM 1395 C HIS A 89 13.538 -14.177 3.743 1.00 22.22 C ATOM 1396 O HIS A 89 12.374 -14.096 3.351 1.00 41.13 O ATOM 1397 CB HIS A 89 14.886 -12.239 2.912 1.00 61.24 C ATOM 1398 CG HIS A 89 15.153 -10.774 3.070 1.00 22.22 C ATOM 1399 ND1 HIS A 89 14.415 -9.959 3.903 1.00 53.21 N ATOM 1400 CD2 HIS A 89 16.084 -9.977 2.496 1.00 62.33 C ATOM 1401 CE1 HIS A 89 14.880 -8.725 3.834 1.00 11.30 C ATOM 1402 NE2 HIS A 89 15.894 -8.709 2.987 1.00 50.31 N ATOM 0 H HIS A 89 16.170 -12.799 4.941 1.00 14.25 H new ATOM 0 HA HIS A 89 13.486 -12.192 4.541 1.00 64.22 H new ATOM 0 HB2 HIS A 89 15.825 -12.751 2.703 1.00 61.24 H new ATOM 0 HB3 HIS A 89 14.241 -12.391 2.047 1.00 61.24 H new ATOM 0 HD2 HIS A 89 16.837 -10.282 1.784 1.00 62.33 H new ATOM 0 HE1 HIS A 89 14.497 -7.874 4.377 1.00 11.30 H new ATOM 0 HE2 HIS A 89 16.446 -7.888 2.738 1.00 50.31 H new ATOM 1411 N GLN A 90 14.196 -15.328 3.831 1.00 1.20 N ATOM 1412 CA GLN A 90 13.572 -16.593 3.461 1.00 62.23 C ATOM 1413 C GLN A 90 12.804 -17.185 4.638 1.00 35.21 C ATOM 1414 O GLN A 90 11.575 -17.258 4.615 1.00 32.12 O ATOM 1415 CB GLN A 90 14.631 -17.585 2.978 1.00 40.15 C ATOM 1416 CG GLN A 90 14.058 -18.926 2.549 1.00 52.53 C ATOM 1417 CD GLN A 90 14.863 -19.577 1.441 1.00 55.11 C ATOM 1418 OE1 GLN A 90 15.164 -18.949 0.425 1.00 75.20 O ATOM 1419 NE2 GLN A 90 15.215 -20.843 1.630 1.00 4.41 N ATOM 0 H GLN A 90 15.160 -15.411 4.155 1.00 1.20 H new ATOM 0 HA GLN A 90 12.868 -16.400 2.651 1.00 62.23 H new ATOM 0 HB2 GLN A 90 15.173 -17.146 2.140 1.00 40.15 H new ATOM 0 HB3 GLN A 90 15.355 -17.747 3.776 1.00 40.15 H new ATOM 0 HG2 GLN A 90 14.024 -19.594 3.409 1.00 52.53 H new ATOM 0 HG3 GLN A 90 13.030 -18.787 2.213 1.00 52.53 H new ATOM 0 HE21 GLN A 90 14.944 -21.325 2.487 1.00 4.41 H new ATOM 0 HE22 GLN A 90 15.756 -21.334 0.918 1.00 4.41 H new ATOM 1428 N ARG A 91 13.535 -17.606 5.665 1.00 11.43 N ATOM 1429 CA ARG A 91 12.921 -18.192 6.850 1.00 70.23 C ATOM 1430 C ARG A 91 13.982 -18.572 7.880 1.00 34.12 C ATOM 1431 O ARG A 91 13.764 -18.445 9.086 1.00 54.40 O ATOM 1432 CB ARG A 91 12.102 -19.426 6.469 1.00 14.44 C ATOM 1433 CG ARG A 91 10.616 -19.283 6.759 1.00 2.51 C ATOM 1434 CD ARG A 91 9.844 -20.523 6.335 1.00 24.41 C ATOM 1435 NE ARG A 91 8.409 -20.268 6.238 1.00 72.41 N ATOM 1436 CZ ARG A 91 7.500 -21.226 6.097 1.00 41.42 C ATOM 1437 NH1 ARG A 91 7.876 -22.496 6.036 1.00 54.23 N ATOM 1438 NH2 ARG A 91 6.213 -20.915 6.017 1.00 54.02 N ATOM 0 H ARG A 91 14.553 -17.552 5.700 1.00 11.43 H new ATOM 0 HA ARG A 91 12.259 -17.447 7.292 1.00 70.23 H new ATOM 0 HB2 ARG A 91 12.239 -19.629 5.407 1.00 14.44 H new ATOM 0 HB3 ARG A 91 12.488 -20.290 7.011 1.00 14.44 H new ATOM 0 HG2 ARG A 91 10.467 -19.107 7.824 1.00 2.51 H new ATOM 0 HG3 ARG A 91 10.224 -18.412 6.234 1.00 2.51 H new ATOM 0 HD2 ARG A 91 10.216 -20.870 5.371 1.00 24.41 H new ATOM 0 HD3 ARG A 91 10.022 -21.324 7.053 1.00 24.41 H new ATOM 0 HE ARG A 91 8.087 -19.301 6.281 1.00 72.41 H new ATOM 0 HH11 ARG A 91 8.865 -22.739 6.097 1.00 54.23 H new ATOM 0 HH12 ARG A 91 7.176 -23.230 5.928 1.00 54.23 H new ATOM 0 HH21 ARG A 91 5.920 -19.939 6.064 1.00 54.02 H new ATOM 0 HH22 ARG A 91 5.516 -21.652 5.909 1.00 54.02 H new ATOM 1452 N ILE A 92 15.128 -19.038 7.396 1.00 32.01 N ATOM 1453 CA ILE A 92 16.222 -19.436 8.275 1.00 21.02 C ATOM 1454 C ILE A 92 16.559 -18.329 9.268 1.00 44.52 C ATOM 1455 O ILE A 92 17.007 -17.250 8.881 1.00 20.14 O ATOM 1456 CB ILE A 92 17.486 -19.794 7.472 1.00 22.31 C ATOM 1457 CG1 ILE A 92 17.188 -20.924 6.484 1.00 33.24 C ATOM 1458 CG2 ILE A 92 18.616 -20.189 8.412 1.00 24.33 C ATOM 1459 CD1 ILE A 92 17.678 -20.644 5.080 1.00 61.54 C ATOM 0 H ILE A 92 15.324 -19.149 6.401 1.00 32.01 H new ATOM 0 HA ILE A 92 15.886 -20.318 8.820 1.00 21.02 H new ATOM 0 HB ILE A 92 17.799 -18.917 6.906 1.00 22.31 H new ATOM 0 HG12 ILE A 92 17.650 -21.843 6.845 1.00 33.24 H new ATOM 0 HG13 ILE A 92 16.112 -21.098 6.457 1.00 33.24 H new ATOM 0 HG21 ILE A 92 19.503 -20.439 7.830 1.00 24.33 H new ATOM 0 HG22 ILE A 92 18.842 -19.357 9.079 1.00 24.33 H new ATOM 0 HG23 ILE A 92 18.313 -21.054 9.002 1.00 24.33 H new ATOM 0 HD11 ILE A 92 17.433 -21.487 4.434 1.00 61.54 H new ATOM 0 HD12 ILE A 92 17.197 -19.743 4.699 1.00 61.54 H new ATOM 0 HD13 ILE A 92 18.758 -20.500 5.094 1.00 61.54 H new ATOM 1471 N ASP A 93 16.343 -18.606 10.549 1.00 22.43 N ATOM 1472 CA ASP A 93 16.627 -17.634 11.599 1.00 63.42 C ATOM 1473 C ASP A 93 17.833 -18.067 12.428 1.00 51.11 C ATOM 1474 O ASP A 93 17.736 -18.232 13.644 1.00 70.31 O ATOM 1475 CB ASP A 93 15.407 -17.459 12.504 1.00 2.12 C ATOM 1476 CG ASP A 93 14.668 -18.761 12.738 1.00 33.10 C ATOM 1477 OD1 ASP A 93 15.100 -19.541 13.613 1.00 62.04 O ATOM 1478 OD2 ASP A 93 13.656 -19.001 12.048 1.00 34.44 O ATOM 0 H ASP A 93 15.973 -19.495 10.886 1.00 22.43 H new ATOM 0 HA ASP A 93 16.858 -16.680 11.125 1.00 63.42 H new ATOM 0 HB2 ASP A 93 15.725 -17.048 13.462 1.00 2.12 H new ATOM 0 HB3 ASP A 93 14.727 -16.734 12.056 1.00 2.12 H new ATOM 1483 N VAL A 94 18.967 -18.250 11.761 1.00 44.43 N ATOM 1484 CA VAL A 94 20.192 -18.664 12.435 1.00 23.24 C ATOM 1485 C VAL A 94 20.499 -17.758 13.622 1.00 71.11 C ATOM 1486 O VAL A 94 19.875 -16.711 13.796 1.00 73.43 O ATOM 1487 CB VAL A 94 21.395 -18.654 11.472 1.00 11.13 C ATOM 1488 CG1 VAL A 94 21.163 -19.616 10.318 1.00 14.41 C ATOM 1489 CG2 VAL A 94 21.653 -17.245 10.959 1.00 14.23 C ATOM 0 H VAL A 94 19.063 -18.118 10.754 1.00 44.43 H new ATOM 0 HA VAL A 94 20.029 -19.682 12.790 1.00 23.24 H new ATOM 0 HB VAL A 94 22.279 -18.986 12.017 1.00 11.13 H new ATOM 0 HG11 VAL A 94 22.023 -19.595 9.649 1.00 14.41 H new ATOM 0 HG12 VAL A 94 21.030 -20.626 10.707 1.00 14.41 H new ATOM 0 HG13 VAL A 94 20.269 -19.318 9.770 1.00 14.41 H new ATOM 0 HG21 VAL A 94 22.506 -17.255 10.280 1.00 14.23 H new ATOM 0 HG22 VAL A 94 20.772 -16.884 10.429 1.00 14.23 H new ATOM 0 HG23 VAL A 94 21.867 -16.585 11.800 1.00 14.23 H new ATOM 1499 N LYS A 95 21.465 -18.167 14.438 1.00 73.42 N ATOM 1500 CA LYS A 95 21.856 -17.393 15.609 1.00 25.12 C ATOM 1501 C LYS A 95 23.085 -16.538 15.311 1.00 14.22 C ATOM 1502 O LYS A 95 23.296 -15.500 15.936 1.00 20.14 O ATOM 1503 CB LYS A 95 22.145 -18.324 16.789 1.00 70.25 C ATOM 1504 CG LYS A 95 21.627 -17.802 18.117 1.00 72.33 C ATOM 1505 CD LYS A 95 21.283 -18.938 19.067 1.00 72.12 C ATOM 1506 CE LYS A 95 22.251 -18.998 20.238 1.00 72.24 C ATOM 1507 NZ LYS A 95 23.652 -19.233 19.789 1.00 12.34 N ATOM 0 H LYS A 95 21.991 -19.031 14.309 1.00 73.42 H new ATOM 0 HA LYS A 95 21.029 -16.732 15.869 1.00 25.12 H new ATOM 0 HB2 LYS A 95 21.696 -19.297 16.591 1.00 70.25 H new ATOM 0 HB3 LYS A 95 23.221 -18.478 16.864 1.00 70.25 H new ATOM 0 HG2 LYS A 95 22.379 -17.159 18.574 1.00 72.33 H new ATOM 0 HG3 LYS A 95 20.743 -17.188 17.948 1.00 72.33 H new ATOM 0 HD2 LYS A 95 20.267 -18.807 19.440 1.00 72.12 H new ATOM 0 HD3 LYS A 95 21.305 -19.885 18.527 1.00 72.12 H new ATOM 0 HE2 LYS A 95 22.201 -18.064 20.798 1.00 72.24 H new ATOM 0 HE3 LYS A 95 21.949 -19.795 20.918 1.00 72.24 H new ATOM 0 HZ1 LYS A 95 24.258 -19.402 20.617 1.00 12.34 H new ATOM 0 HZ2 LYS A 95 23.681 -20.063 19.163 1.00 12.34 H new ATOM 0 HZ3 LYS A 95 23.996 -18.398 19.273 1.00 12.34 H new ATOM 1521 N ASP A 96 23.888 -16.982 14.351 1.00 45.12 N ATOM 1522 CA ASP A 96 25.094 -16.256 13.968 1.00 24.12 C ATOM 1523 C ASP A 96 25.335 -16.357 12.465 1.00 12.10 C ATOM 1524 O ASP A 96 24.528 -16.932 11.733 1.00 71.34 O ATOM 1525 CB ASP A 96 26.306 -16.798 14.729 1.00 54.50 C ATOM 1526 CG ASP A 96 26.433 -18.304 14.615 1.00 13.02 C ATOM 1527 OD1 ASP A 96 26.962 -18.780 13.589 1.00 44.45 O ATOM 1528 OD2 ASP A 96 26.004 -19.007 15.554 1.00 43.14 O ATOM 0 H ASP A 96 23.726 -17.840 13.824 1.00 45.12 H new ATOM 0 HA ASP A 96 24.953 -15.206 14.226 1.00 24.12 H new ATOM 0 HB2 ASP A 96 27.212 -16.330 14.345 1.00 54.50 H new ATOM 0 HB3 ASP A 96 26.225 -16.521 15.780 1.00 54.50 H new ATOM 1533 N THR A 97 26.449 -15.793 12.010 1.00 12.44 N ATOM 1534 CA THR A 97 26.794 -15.817 10.594 1.00 41.15 C ATOM 1535 C THR A 97 27.413 -17.154 10.201 1.00 73.44 C ATOM 1536 O THR A 97 27.349 -17.564 9.043 1.00 51.13 O ATOM 1537 CB THR A 97 27.777 -14.686 10.236 1.00 2.00 C ATOM 1538 OG1 THR A 97 27.185 -13.415 10.525 1.00 65.43 O ATOM 1539 CG2 THR A 97 28.161 -14.749 8.765 1.00 43.23 C ATOM 0 H THR A 97 27.128 -15.314 12.602 1.00 12.44 H new ATOM 0 HA THR A 97 25.866 -15.672 10.041 1.00 41.15 H new ATOM 0 HB THR A 97 28.678 -14.813 10.836 1.00 2.00 H new ATOM 0 HG1 THR A 97 26.558 -13.509 11.272 1.00 65.43 H new ATOM 0 HG21 THR A 97 28.856 -13.941 8.535 1.00 43.23 H new ATOM 0 HG22 THR A 97 28.636 -15.707 8.554 1.00 43.23 H new ATOM 0 HG23 THR A 97 27.267 -14.644 8.151 1.00 43.23 H new ATOM 1547 N LYS A 98 28.012 -17.832 11.175 1.00 72.11 N ATOM 1548 CA LYS A 98 28.640 -19.125 10.933 1.00 42.02 C ATOM 1549 C LYS A 98 27.605 -20.164 10.511 1.00 24.43 C ATOM 1550 O LYS A 98 27.841 -20.951 9.596 1.00 64.02 O ATOM 1551 CB LYS A 98 29.373 -19.603 12.189 1.00 23.14 C ATOM 1552 CG LYS A 98 30.617 -20.423 11.894 1.00 51.31 C ATOM 1553 CD LYS A 98 30.598 -21.750 12.634 1.00 0.24 C ATOM 1554 CE LYS A 98 29.742 -22.780 11.913 1.00 5.13 C ATOM 1555 NZ LYS A 98 28.426 -22.974 12.581 1.00 61.55 N ATOM 0 H LYS A 98 28.075 -17.507 12.140 1.00 72.11 H new ATOM 0 HA LYS A 98 29.359 -19.004 10.123 1.00 42.02 H new ATOM 0 HB2 LYS A 98 29.653 -18.736 12.788 1.00 23.14 H new ATOM 0 HB3 LYS A 98 28.690 -20.200 12.793 1.00 23.14 H new ATOM 0 HG2 LYS A 98 30.689 -20.604 10.822 1.00 51.31 H new ATOM 0 HG3 LYS A 98 31.503 -19.858 12.182 1.00 51.31 H new ATOM 0 HD2 LYS A 98 31.616 -22.127 12.733 1.00 0.24 H new ATOM 0 HD3 LYS A 98 30.214 -21.599 13.643 1.00 0.24 H new ATOM 0 HE2 LYS A 98 29.583 -22.462 10.883 1.00 5.13 H new ATOM 0 HE3 LYS A 98 30.273 -23.731 11.875 1.00 5.13 H new ATOM 0 HZ1 LYS A 98 27.959 -23.816 12.189 1.00 61.55 H new ATOM 0 HZ2 LYS A 98 28.571 -23.102 13.603 1.00 61.55 H new ATOM 0 HZ3 LYS A 98 27.828 -22.139 12.418 1.00 61.55 H new ATOM 1569 N GLU A 99 26.458 -20.156 11.184 1.00 64.34 N ATOM 1570 CA GLU A 99 25.388 -21.098 10.877 1.00 10.40 C ATOM 1571 C GLU A 99 24.740 -20.766 9.536 1.00 73.01 C ATOM 1572 O GLU A 99 24.484 -21.653 8.722 1.00 73.22 O ATOM 1573 CB GLU A 99 24.332 -21.082 11.984 1.00 10.32 C ATOM 1574 CG GLU A 99 24.789 -21.748 13.271 1.00 1.14 C ATOM 1575 CD GLU A 99 24.226 -23.145 13.437 1.00 21.51 C ATOM 1576 OE1 GLU A 99 23.044 -23.354 13.091 1.00 52.22 O ATOM 1577 OE2 GLU A 99 24.967 -24.030 13.914 1.00 62.03 O ATOM 0 H GLU A 99 26.246 -19.509 11.944 1.00 64.34 H new ATOM 0 HA GLU A 99 25.823 -22.095 10.814 1.00 10.40 H new ATOM 0 HB2 GLU A 99 24.057 -20.049 12.197 1.00 10.32 H new ATOM 0 HB3 GLU A 99 23.433 -21.583 11.625 1.00 10.32 H new ATOM 0 HG2 GLU A 99 25.878 -21.795 13.284 1.00 1.14 H new ATOM 0 HG3 GLU A 99 24.486 -21.135 14.120 1.00 1.14 H new ATOM 1584 N ALA A 100 24.478 -19.483 9.314 1.00 4.54 N ATOM 1585 CA ALA A 100 23.861 -19.032 8.072 1.00 41.01 C ATOM 1586 C ALA A 100 24.641 -19.532 6.859 1.00 32.21 C ATOM 1587 O ALA A 100 24.074 -19.735 5.785 1.00 54.43 O ATOM 1588 CB ALA A 100 23.765 -17.514 8.051 1.00 13.34 C ATOM 0 H ALA A 100 24.683 -18.736 9.978 1.00 4.54 H new ATOM 0 HA ALA A 100 22.855 -19.449 8.022 1.00 41.01 H new ATOM 0 HB1 ALA A 100 23.303 -17.192 7.118 1.00 13.34 H new ATOM 0 HB2 ALA A 100 23.160 -17.176 8.892 1.00 13.34 H new ATOM 0 HB3 ALA A 100 24.764 -17.085 8.128 1.00 13.34 H new ATOM 1594 N LEU A 101 25.943 -19.727 7.039 1.00 1.44 N ATOM 1595 CA LEU A 101 26.801 -20.201 5.959 1.00 53.23 C ATOM 1596 C LEU A 101 26.662 -21.709 5.777 1.00 54.44 C ATOM 1597 O LEU A 101 26.778 -22.224 4.664 1.00 12.53 O ATOM 1598 CB LEU A 101 28.260 -19.843 6.245 1.00 64.03 C ATOM 1599 CG LEU A 101 29.034 -19.207 5.090 1.00 40.24 C ATOM 1600 CD1 LEU A 101 29.147 -20.179 3.925 1.00 43.13 C ATOM 1601 CD2 LEU A 101 28.365 -17.915 4.646 1.00 12.24 C ATOM 0 H LEU A 101 26.427 -19.564 7.922 1.00 1.44 H new ATOM 0 HA LEU A 101 26.488 -19.711 5.037 1.00 53.23 H new ATOM 0 HB2 LEU A 101 28.286 -19.159 7.093 1.00 64.03 H new ATOM 0 HB3 LEU A 101 28.782 -20.750 6.550 1.00 64.03 H new ATOM 0 HG LEU A 101 30.039 -18.970 5.438 1.00 40.24 H new ATOM 0 HD11 LEU A 101 29.701 -19.710 3.112 1.00 43.13 H new ATOM 0 HD12 LEU A 101 29.672 -21.077 4.250 1.00 43.13 H new ATOM 0 HD13 LEU A 101 28.150 -20.447 3.577 1.00 43.13 H new ATOM 0 HD21 LEU A 101 28.930 -17.477 3.823 1.00 12.24 H new ATOM 0 HD22 LEU A 101 27.348 -18.127 4.316 1.00 12.24 H new ATOM 0 HD23 LEU A 101 28.337 -17.214 5.481 1.00 12.24 H new ATOM 1613 N ASP A 102 26.412 -22.412 6.875 1.00 11.10 N ATOM 1614 CA ASP A 102 26.253 -23.861 6.836 1.00 72.52 C ATOM 1615 C ASP A 102 24.903 -24.245 6.242 1.00 14.03 C ATOM 1616 O ASP A 102 24.747 -25.324 5.669 1.00 11.30 O ATOM 1617 CB ASP A 102 26.390 -24.448 8.242 1.00 62.23 C ATOM 1618 CG ASP A 102 27.833 -24.732 8.612 1.00 62.42 C ATOM 1619 OD1 ASP A 102 28.560 -25.307 7.775 1.00 10.35 O ATOM 1620 OD2 ASP A 102 28.235 -24.378 9.740 1.00 63.12 O ATOM 0 H ASP A 102 26.315 -22.002 7.804 1.00 11.10 H new ATOM 0 HA ASP A 102 27.038 -24.270 6.200 1.00 72.52 H new ATOM 0 HB2 ASP A 102 25.962 -23.754 8.966 1.00 62.23 H new ATOM 0 HB3 ASP A 102 25.813 -25.371 8.305 1.00 62.23 H new ATOM 1625 N LYS A 103 23.925 -23.354 6.382 1.00 42.21 N ATOM 1626 CA LYS A 103 22.587 -23.599 5.858 1.00 21.25 C ATOM 1627 C LYS A 103 22.535 -23.340 4.356 1.00 53.04 C ATOM 1628 O LYS A 103 22.157 -24.219 3.579 1.00 30.20 O ATOM 1629 CB LYS A 103 21.568 -22.709 6.574 1.00 51.52 C ATOM 1630 CG LYS A 103 21.282 -23.139 8.003 1.00 52.21 C ATOM 1631 CD LYS A 103 20.044 -24.016 8.084 1.00 3.23 C ATOM 1632 CE LYS A 103 19.175 -23.644 9.276 1.00 43.31 C ATOM 1633 NZ LYS A 103 18.887 -24.820 10.142 1.00 50.45 N ATOM 0 H LYS A 103 24.035 -22.456 6.854 1.00 42.21 H new ATOM 0 HA LYS A 103 22.339 -24.645 6.037 1.00 21.25 H new ATOM 0 HB2 LYS A 103 21.935 -21.683 6.579 1.00 51.52 H new ATOM 0 HB3 LYS A 103 20.636 -22.712 6.009 1.00 51.52 H new ATOM 0 HG2 LYS A 103 22.140 -23.682 8.399 1.00 52.21 H new ATOM 0 HG3 LYS A 103 21.146 -22.257 8.629 1.00 52.21 H new ATOM 0 HD2 LYS A 103 19.466 -23.917 7.165 1.00 3.23 H new ATOM 0 HD3 LYS A 103 20.342 -25.062 8.162 1.00 3.23 H new ATOM 0 HE2 LYS A 103 19.675 -22.874 9.864 1.00 43.31 H new ATOM 0 HE3 LYS A 103 18.237 -23.216 8.922 1.00 43.31 H new ATOM 0 HZ1 LYS A 103 18.293 -24.524 10.943 1.00 50.45 H new ATOM 0 HZ2 LYS A 103 18.387 -25.545 9.588 1.00 50.45 H new ATOM 0 HZ3 LYS A 103 19.780 -25.214 10.501 1.00 50.45 H new ATOM 1647 N ILE A 104 22.918 -22.134 3.953 1.00 41.50 N ATOM 1648 CA ILE A 104 22.917 -21.764 2.543 1.00 35.11 C ATOM 1649 C ILE A 104 23.811 -22.694 1.730 1.00 15.24 C ATOM 1650 O ILE A 104 23.598 -22.884 0.533 1.00 52.23 O ATOM 1651 CB ILE A 104 23.389 -20.311 2.342 1.00 52.25 C ATOM 1652 CG1 ILE A 104 22.499 -19.349 3.132 1.00 72.30 C ATOM 1653 CG2 ILE A 104 23.384 -19.953 0.863 1.00 31.44 C ATOM 1654 CD1 ILE A 104 23.034 -17.935 3.183 1.00 54.32 C ATOM 0 H ILE A 104 23.233 -21.396 4.583 1.00 41.50 H new ATOM 0 HA ILE A 104 21.889 -21.855 2.193 1.00 35.11 H new ATOM 0 HB ILE A 104 24.409 -20.221 2.714 1.00 52.25 H new ATOM 0 HG12 ILE A 104 21.505 -19.337 2.685 1.00 72.30 H new ATOM 0 HG13 ILE A 104 22.387 -19.723 4.150 1.00 72.30 H new ATOM 0 HG21 ILE A 104 23.720 -18.924 0.737 1.00 31.44 H new ATOM 0 HG22 ILE A 104 24.055 -20.622 0.324 1.00 31.44 H new ATOM 0 HG23 ILE A 104 22.374 -20.056 0.467 1.00 31.44 H new ATOM 0 HD11 ILE A 104 22.353 -17.309 3.759 1.00 54.32 H new ATOM 0 HD12 ILE A 104 24.016 -17.934 3.657 1.00 54.32 H new ATOM 0 HD13 ILE A 104 23.120 -17.542 2.170 1.00 54.32 H new