USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 SER OG : rot 31:sc= 0.208 USER MOD Single : A 6 ASN : amide:sc= -0.617 K(o=-0.62,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.745 K(o=-0.75,f=-4.3!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -112:sc= -3.64! USER MOD Single : A 40 SER OG : rot 180:sc= 0.045 USER MOD Single : A 43 THR OG1 : rot -39:sc= 0.668 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.342 USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= 0.595 (180deg=0.346) USER MOD Single : A 67 THR OG1 : rot -49:sc= 1.04 USER MOD Single : A 68 THR OG1 : rot 124:sc= -0.446 USER MOD Single : A 70 GLN : amide:sc= -0.591 K(o=-0.59,f=0.18) USER MOD Single : A 75 TYR OH : rot -73:sc= 0.127 USER MOD Single : A 77 ASN : amide:sc= -0.154 K(o=-0.15,f=-0.93) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -1.01 K(o=-1,f=-2.4) USER MOD Single : A 80 GLN : amide:sc= 0.0112 K(o=0.011,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 60 N SER A 5 8.550 6.343 -6.865 1.00 11.35 N ATOM 61 CA SER A 5 9.582 7.321 -6.541 1.00 24.23 C ATOM 62 C SER A 5 10.573 6.750 -5.530 1.00 52.21 C ATOM 63 O SER A 5 11.727 7.171 -5.470 1.00 41.53 O ATOM 64 CB SER A 5 8.949 8.598 -5.986 1.00 1.11 C ATOM 65 OG SER A 5 7.907 9.058 -6.829 1.00 11.34 O ATOM 0 HA SER A 5 10.121 7.560 -7.458 1.00 24.23 H new ATOM 0 HB2 SER A 5 8.556 8.409 -4.987 1.00 1.11 H new ATOM 0 HB3 SER A 5 9.710 9.372 -5.888 1.00 1.11 H new ATOM 0 HG SER A 5 7.477 8.293 -7.265 1.00 11.34 H new ATOM 71 N ASN A 6 10.112 5.788 -4.737 1.00 54.42 N ATOM 72 CA ASN A 6 10.956 5.159 -3.728 1.00 12.40 C ATOM 73 C ASN A 6 11.788 4.036 -4.338 1.00 62.04 C ATOM 74 O ASN A 6 13.004 3.978 -4.150 1.00 52.25 O ATOM 75 CB ASN A 6 10.098 4.611 -2.586 1.00 3.14 C ATOM 76 CG ASN A 6 10.844 4.584 -1.265 1.00 75.20 C ATOM 77 OD1 ASN A 6 10.477 5.281 -0.318 1.00 64.44 O ATOM 78 ND2 ASN A 6 11.896 3.776 -1.196 1.00 54.42 N ATOM 0 H ASN A 6 9.159 5.427 -4.774 1.00 54.42 H new ATOM 0 HA ASN A 6 11.634 5.916 -3.334 1.00 12.40 H new ATOM 0 HB2 ASN A 6 9.202 5.223 -2.482 1.00 3.14 H new ATOM 0 HB3 ASN A 6 9.768 3.602 -2.835 1.00 3.14 H new ATOM 0 HD21 ASN A 6 12.436 3.715 -0.333 1.00 54.42 H new ATOM 0 HD22 ASN A 6 12.164 3.217 -2.006 1.00 54.42 H new ATOM 85 N ILE A 7 11.126 3.146 -5.070 1.00 15.33 N ATOM 86 CA ILE A 7 11.804 2.026 -5.709 1.00 4.01 C ATOM 87 C ILE A 7 12.893 2.513 -6.660 1.00 33.23 C ATOM 88 O ILE A 7 13.974 1.929 -6.732 1.00 15.23 O ATOM 89 CB ILE A 7 10.816 1.140 -6.489 1.00 73.41 C ATOM 90 CG1 ILE A 7 9.897 0.389 -5.522 1.00 44.13 C ATOM 91 CG2 ILE A 7 11.569 0.162 -7.379 1.00 50.41 C ATOM 92 CD1 ILE A 7 8.601 -0.068 -6.153 1.00 33.33 C ATOM 0 H ILE A 7 10.120 3.179 -5.235 1.00 15.33 H new ATOM 0 HA ILE A 7 12.257 1.436 -4.913 1.00 4.01 H new ATOM 0 HB ILE A 7 10.201 1.779 -7.123 1.00 73.41 H new ATOM 0 HG12 ILE A 7 10.427 -0.479 -5.130 1.00 44.13 H new ATOM 0 HG13 ILE A 7 9.671 1.034 -4.673 1.00 44.13 H new ATOM 0 HG21 ILE A 7 10.856 -0.457 -7.924 1.00 50.41 H new ATOM 0 HG22 ILE A 7 12.185 0.715 -8.088 1.00 50.41 H new ATOM 0 HG23 ILE A 7 12.206 -0.474 -6.764 1.00 50.41 H new ATOM 0 HD11 ILE A 7 8.000 -0.593 -5.410 1.00 33.33 H new ATOM 0 HD12 ILE A 7 8.050 0.798 -6.520 1.00 33.33 H new ATOM 0 HD13 ILE A 7 8.818 -0.739 -6.984 1.00 33.33 H new ATOM 104 N GLU A 8 12.599 3.587 -7.386 1.00 63.33 N ATOM 105 CA GLU A 8 13.554 4.152 -8.332 1.00 41.51 C ATOM 106 C GLU A 8 14.870 4.492 -7.639 1.00 3.32 C ATOM 107 O GLU A 8 15.937 4.041 -8.055 1.00 33.44 O ATOM 108 CB GLU A 8 12.973 5.406 -8.990 1.00 32.14 C ATOM 109 CG GLU A 8 12.151 5.115 -10.234 1.00 42.02 C ATOM 110 CD GLU A 8 13.012 4.895 -11.463 1.00 72.40 C ATOM 111 OE1 GLU A 8 13.350 5.891 -12.136 1.00 25.12 O ATOM 112 OE2 GLU A 8 13.346 3.727 -11.752 1.00 64.11 O ATOM 0 H GLU A 8 11.709 4.083 -7.337 1.00 63.33 H new ATOM 0 HA GLU A 8 13.750 3.405 -9.101 1.00 41.51 H new ATOM 0 HB2 GLU A 8 12.348 5.930 -8.266 1.00 32.14 H new ATOM 0 HB3 GLU A 8 13.789 6.079 -9.253 1.00 32.14 H new ATOM 0 HG2 GLU A 8 11.538 4.231 -10.061 1.00 42.02 H new ATOM 0 HG3 GLU A 8 11.469 5.945 -10.417 1.00 42.02 H new ATOM 119 N GLU A 9 14.786 5.292 -6.580 1.00 74.02 N ATOM 120 CA GLU A 9 15.970 5.693 -5.830 1.00 40.54 C ATOM 121 C GLU A 9 16.623 4.489 -5.158 1.00 73.02 C ATOM 122 O GLU A 9 17.848 4.392 -5.089 1.00 30.12 O ATOM 123 CB GLU A 9 15.603 6.742 -4.778 1.00 45.11 C ATOM 124 CG GLU A 9 16.729 7.047 -3.804 1.00 63.52 C ATOM 125 CD GLU A 9 16.594 8.415 -3.166 1.00 2.25 C ATOM 126 OE1 GLU A 9 15.464 8.946 -3.132 1.00 24.34 O ATOM 127 OE2 GLU A 9 17.619 8.955 -2.699 1.00 42.42 O ATOM 0 H GLU A 9 13.911 5.675 -6.223 1.00 74.02 H new ATOM 0 HA GLU A 9 16.683 6.126 -6.531 1.00 40.54 H new ATOM 0 HB2 GLU A 9 15.311 7.663 -5.282 1.00 45.11 H new ATOM 0 HB3 GLU A 9 14.734 6.395 -4.219 1.00 45.11 H new ATOM 0 HG2 GLU A 9 16.745 6.286 -3.023 1.00 63.52 H new ATOM 0 HG3 GLU A 9 17.683 6.987 -4.327 1.00 63.52 H new ATOM 134 N ARG A 10 15.795 3.574 -4.664 1.00 50.10 N ATOM 135 CA ARG A 10 16.290 2.377 -3.996 1.00 25.13 C ATOM 136 C ARG A 10 17.107 1.517 -4.956 1.00 32.31 C ATOM 137 O ARG A 10 18.304 1.309 -4.756 1.00 14.21 O ATOM 138 CB ARG A 10 15.125 1.563 -3.430 1.00 50.22 C ATOM 139 CG ARG A 10 14.643 2.051 -2.074 1.00 24.24 C ATOM 140 CD ARG A 10 15.449 1.432 -0.941 1.00 55.44 C ATOM 141 NE ARG A 10 14.816 0.225 -0.416 1.00 45.22 N ATOM 142 CZ ARG A 10 15.129 -0.318 0.755 1.00 64.21 C ATOM 143 NH1 ARG A 10 16.061 0.236 1.519 1.00 71.33 N ATOM 144 NH2 ARG A 10 14.510 -1.418 1.164 1.00 14.33 N ATOM 0 H ARG A 10 14.778 3.639 -4.714 1.00 50.10 H new ATOM 0 HA ARG A 10 16.936 2.690 -3.176 1.00 25.13 H new ATOM 0 HB2 ARG A 10 14.294 1.595 -4.135 1.00 50.22 H new ATOM 0 HB3 ARG A 10 15.430 0.520 -3.344 1.00 50.22 H new ATOM 0 HG2 ARG A 10 14.722 3.137 -2.028 1.00 24.24 H new ATOM 0 HG3 ARG A 10 13.589 1.803 -1.950 1.00 24.24 H new ATOM 0 HD2 ARG A 10 16.450 1.190 -1.298 1.00 55.44 H new ATOM 0 HD3 ARG A 10 15.564 2.160 -0.138 1.00 55.44 H new ATOM 0 HE ARG A 10 14.095 -0.225 -0.979 1.00 45.22 H new ATOM 0 HH11 ARG A 10 16.539 1.081 1.208 1.00 71.33 H new ATOM 0 HH12 ARG A 10 16.299 -0.183 2.418 1.00 71.33 H new ATOM 0 HH21 ARG A 10 13.793 -1.847 0.579 1.00 14.33 H new ATOM 0 HH22 ARG A 10 14.751 -1.834 2.063 1.00 14.33 H new ATOM 158 N VAL A 11 16.451 1.018 -5.999 1.00 71.10 N ATOM 159 CA VAL A 11 17.115 0.181 -6.991 1.00 22.43 C ATOM 160 C VAL A 11 18.397 0.836 -7.493 1.00 72.22 C ATOM 161 O VAL A 11 19.454 0.207 -7.534 1.00 64.31 O ATOM 162 CB VAL A 11 16.194 -0.106 -8.191 1.00 34.30 C ATOM 163 CG1 VAL A 11 16.858 -1.078 -9.154 1.00 61.12 C ATOM 164 CG2 VAL A 11 14.853 -0.646 -7.716 1.00 23.52 C ATOM 0 H VAL A 11 15.460 1.179 -6.179 1.00 71.10 H new ATOM 0 HA VAL A 11 17.360 -0.760 -6.498 1.00 22.43 H new ATOM 0 HB VAL A 11 16.016 0.829 -8.722 1.00 34.30 H new ATOM 0 HG11 VAL A 11 16.192 -1.269 -9.995 1.00 61.12 H new ATOM 0 HG12 VAL A 11 17.791 -0.648 -9.519 1.00 61.12 H new ATOM 0 HG13 VAL A 11 17.068 -2.015 -8.638 1.00 61.12 H new ATOM 0 HG21 VAL A 11 14.215 -0.843 -8.577 1.00 23.52 H new ATOM 0 HG22 VAL A 11 15.009 -1.571 -7.161 1.00 23.52 H new ATOM 0 HG23 VAL A 11 14.373 0.089 -7.069 1.00 23.52 H new ATOM 174 N LYS A 12 18.296 2.104 -7.875 1.00 12.41 N ATOM 175 CA LYS A 12 19.447 2.848 -8.374 1.00 33.23 C ATOM 176 C LYS A 12 20.555 2.902 -7.327 1.00 32.22 C ATOM 177 O LYS A 12 21.729 2.701 -7.639 1.00 73.31 O ATOM 178 CB LYS A 12 19.032 4.268 -8.766 1.00 73.41 C ATOM 179 CG LYS A 12 18.678 4.414 -10.236 1.00 63.40 C ATOM 180 CD LYS A 12 17.383 3.695 -10.572 1.00 74.41 C ATOM 181 CE LYS A 12 17.268 3.421 -12.064 1.00 15.31 C ATOM 182 NZ LYS A 12 17.830 2.092 -12.429 1.00 64.13 N ATOM 0 H LYS A 12 17.428 2.639 -7.849 1.00 12.41 H new ATOM 0 HA LYS A 12 19.828 2.331 -9.255 1.00 33.23 H new ATOM 0 HB2 LYS A 12 18.174 4.566 -8.163 1.00 73.41 H new ATOM 0 HB3 LYS A 12 19.844 4.954 -8.527 1.00 73.41 H new ATOM 0 HG2 LYS A 12 18.583 5.471 -10.485 1.00 63.40 H new ATOM 0 HG3 LYS A 12 19.487 4.014 -10.847 1.00 63.40 H new ATOM 0 HD2 LYS A 12 17.335 2.754 -10.024 1.00 74.41 H new ATOM 0 HD3 LYS A 12 16.536 4.298 -10.245 1.00 74.41 H new ATOM 0 HE2 LYS A 12 16.220 3.466 -12.362 1.00 15.31 H new ATOM 0 HE3 LYS A 12 17.791 4.201 -12.618 1.00 15.31 H new ATOM 0 HZ1 LYS A 12 17.733 1.943 -13.454 1.00 64.13 H new ATOM 0 HZ2 LYS A 12 18.836 2.057 -12.168 1.00 64.13 H new ATOM 0 HZ3 LYS A 12 17.315 1.346 -11.920 1.00 64.13 H new ATOM 196 N LYS A 13 20.175 3.173 -6.083 1.00 14.01 N ATOM 197 CA LYS A 13 21.135 3.251 -4.988 1.00 71.35 C ATOM 198 C LYS A 13 22.009 2.002 -4.942 1.00 64.33 C ATOM 199 O LYS A 13 23.237 2.092 -4.944 1.00 4.43 O ATOM 200 CB LYS A 13 20.406 3.425 -3.654 1.00 51.43 C ATOM 201 CG LYS A 13 21.334 3.712 -2.487 1.00 2.41 C ATOM 202 CD LYS A 13 20.567 4.208 -1.273 1.00 35.22 C ATOM 203 CE LYS A 13 20.077 5.635 -1.467 1.00 71.31 C ATOM 204 NZ LYS A 13 21.040 6.631 -0.921 1.00 33.34 N ATOM 0 H LYS A 13 19.208 3.343 -5.808 1.00 14.01 H new ATOM 0 HA LYS A 13 21.775 4.116 -5.160 1.00 71.35 H new ATOM 0 HB2 LYS A 13 19.688 4.240 -3.745 1.00 51.43 H new ATOM 0 HB3 LYS A 13 19.836 2.521 -3.440 1.00 51.43 H new ATOM 0 HG2 LYS A 13 21.883 2.807 -2.227 1.00 2.41 H new ATOM 0 HG3 LYS A 13 22.071 4.458 -2.782 1.00 2.41 H new ATOM 0 HD2 LYS A 13 19.716 3.553 -1.086 1.00 35.22 H new ATOM 0 HD3 LYS A 13 21.207 4.159 -0.392 1.00 35.22 H new ATOM 0 HE2 LYS A 13 19.922 5.824 -2.529 1.00 71.31 H new ATOM 0 HE3 LYS A 13 19.111 5.757 -0.977 1.00 71.31 H new ATOM 0 HZ1 LYS A 13 20.670 7.591 -1.073 1.00 33.34 H new ATOM 0 HZ2 LYS A 13 21.169 6.467 0.098 1.00 33.34 H new ATOM 0 HZ3 LYS A 13 21.954 6.532 -1.406 1.00 33.34 H new ATOM 218 N ILE A 14 21.369 0.838 -4.903 1.00 3.12 N ATOM 219 CA ILE A 14 22.090 -0.428 -4.859 1.00 74.31 C ATOM 220 C ILE A 14 23.015 -0.576 -6.062 1.00 5.03 C ATOM 221 O ILE A 14 24.215 -0.810 -5.909 1.00 73.23 O ATOM 222 CB ILE A 14 21.122 -1.626 -4.821 1.00 14.44 C ATOM 223 CG1 ILE A 14 20.320 -1.620 -3.517 1.00 44.21 C ATOM 224 CG2 ILE A 14 21.888 -2.931 -4.972 1.00 32.21 C ATOM 225 CD1 ILE A 14 18.848 -1.335 -3.714 1.00 71.23 C ATOM 0 H ILE A 14 20.353 0.746 -4.901 1.00 3.12 H new ATOM 0 HA ILE A 14 22.684 -0.421 -3.945 1.00 74.31 H new ATOM 0 HB ILE A 14 20.425 -1.538 -5.655 1.00 14.44 H new ATOM 0 HG12 ILE A 14 20.432 -2.587 -3.027 1.00 44.21 H new ATOM 0 HG13 ILE A 14 20.740 -0.871 -2.845 1.00 44.21 H new ATOM 0 HG21 ILE A 14 21.190 -3.768 -4.943 1.00 32.21 H new ATOM 0 HG22 ILE A 14 22.418 -2.933 -5.924 1.00 32.21 H new ATOM 0 HG23 ILE A 14 22.605 -3.028 -4.157 1.00 32.21 H new ATOM 0 HD11 ILE A 14 18.343 -1.347 -2.748 1.00 71.23 H new ATOM 0 HD12 ILE A 14 18.726 -0.355 -4.176 1.00 71.23 H new ATOM 0 HD13 ILE A 14 18.413 -2.098 -4.360 1.00 71.23 H new ATOM 237 N ILE A 15 22.451 -0.436 -7.256 1.00 42.25 N ATOM 238 CA ILE A 15 23.227 -0.551 -8.485 1.00 52.42 C ATOM 239 C ILE A 15 24.465 0.338 -8.439 1.00 11.41 C ATOM 240 O ILE A 15 25.493 0.022 -9.038 1.00 32.41 O ATOM 241 CB ILE A 15 22.385 -0.176 -9.719 1.00 42.43 C ATOM 242 CG1 ILE A 15 21.197 -1.129 -9.862 1.00 40.13 C ATOM 243 CG2 ILE A 15 23.245 -0.200 -10.974 1.00 61.21 C ATOM 244 CD1 ILE A 15 20.073 -0.571 -10.706 1.00 53.33 C ATOM 0 H ILE A 15 21.460 -0.243 -7.399 1.00 42.25 H new ATOM 0 HA ILE A 15 23.534 -1.593 -8.568 1.00 52.42 H new ATOM 0 HB ILE A 15 22.001 0.835 -9.585 1.00 42.43 H new ATOM 0 HG12 ILE A 15 21.543 -2.064 -10.304 1.00 40.13 H new ATOM 0 HG13 ILE A 15 20.812 -1.368 -8.871 1.00 40.13 H new ATOM 0 HG21 ILE A 15 22.636 0.067 -11.838 1.00 61.21 H new ATOM 0 HG22 ILE A 15 24.061 0.516 -10.870 1.00 61.21 H new ATOM 0 HG23 ILE A 15 23.655 -1.200 -11.115 1.00 61.21 H new ATOM 0 HD11 ILE A 15 19.265 -1.300 -10.764 1.00 53.33 H new ATOM 0 HD12 ILE A 15 19.700 0.348 -10.254 1.00 53.33 H new ATOM 0 HD13 ILE A 15 20.442 -0.358 -11.709 1.00 53.33 H new ATOM 256 N VAL A 16 24.360 1.453 -7.722 1.00 22.33 N ATOM 257 CA VAL A 16 25.472 2.387 -7.594 1.00 42.00 C ATOM 258 C VAL A 16 26.493 1.890 -6.577 1.00 45.11 C ATOM 259 O VAL A 16 27.699 2.056 -6.762 1.00 14.44 O ATOM 260 CB VAL A 16 24.984 3.786 -7.174 1.00 2.15 C ATOM 261 CG1 VAL A 16 26.165 4.720 -6.956 1.00 53.52 C ATOM 262 CG2 VAL A 16 24.030 4.352 -8.214 1.00 41.23 C ATOM 0 H VAL A 16 23.516 1.731 -7.221 1.00 22.33 H new ATOM 0 HA VAL A 16 25.944 2.454 -8.574 1.00 42.00 H new ATOM 0 HB VAL A 16 24.444 3.696 -6.231 1.00 2.15 H new ATOM 0 HG11 VAL A 16 25.801 5.704 -6.660 1.00 53.52 H new ATOM 0 HG12 VAL A 16 26.806 4.319 -6.171 1.00 53.52 H new ATOM 0 HG13 VAL A 16 26.735 4.807 -7.881 1.00 53.52 H new ATOM 0 HG21 VAL A 16 23.695 5.341 -7.901 1.00 41.23 H new ATOM 0 HG22 VAL A 16 24.542 4.429 -9.173 1.00 41.23 H new ATOM 0 HG23 VAL A 16 23.168 3.692 -8.314 1.00 41.23 H new ATOM 272 N GLU A 17 26.002 1.279 -5.503 1.00 64.15 N ATOM 273 CA GLU A 17 26.873 0.758 -4.457 1.00 25.24 C ATOM 274 C GLU A 17 27.581 -0.512 -4.920 1.00 22.41 C ATOM 275 O GLU A 17 28.658 -0.848 -4.429 1.00 23.51 O ATOM 276 CB GLU A 17 26.068 0.472 -3.187 1.00 60.15 C ATOM 277 CG GLU A 17 25.557 1.725 -2.496 1.00 73.50 C ATOM 278 CD GLU A 17 26.551 2.288 -1.499 1.00 33.51 C ATOM 279 OE1 GLU A 17 26.846 1.596 -0.502 1.00 11.14 O ATOM 280 OE2 GLU A 17 27.033 3.419 -1.715 1.00 70.22 O ATOM 0 H GLU A 17 25.007 1.133 -5.335 1.00 64.15 H new ATOM 0 HA GLU A 17 27.627 1.514 -4.238 1.00 25.24 H new ATOM 0 HB2 GLU A 17 25.220 -0.165 -3.440 1.00 60.15 H new ATOM 0 HB3 GLU A 17 26.691 -0.089 -2.490 1.00 60.15 H new ATOM 0 HG2 GLU A 17 25.332 2.483 -3.246 1.00 73.50 H new ATOM 0 HG3 GLU A 17 24.623 1.497 -1.983 1.00 73.50 H new ATOM 287 N GLN A 18 26.967 -1.213 -5.868 1.00 14.14 N ATOM 288 CA GLN A 18 27.537 -2.446 -6.396 1.00 71.42 C ATOM 289 C GLN A 18 28.562 -2.149 -7.485 1.00 64.12 C ATOM 290 O GLN A 18 29.677 -2.674 -7.463 1.00 53.24 O ATOM 291 CB GLN A 18 26.432 -3.347 -6.952 1.00 1.14 C ATOM 292 CG GLN A 18 25.454 -3.832 -5.894 1.00 70.51 C ATOM 293 CD GLN A 18 26.148 -4.336 -4.644 1.00 63.12 C ATOM 294 OE1 GLN A 18 26.489 -5.515 -4.542 1.00 11.05 O ATOM 295 NE2 GLN A 18 26.362 -3.443 -3.685 1.00 23.20 N ATOM 0 H GLN A 18 26.075 -0.948 -6.286 1.00 14.14 H new ATOM 0 HA GLN A 18 28.041 -2.962 -5.579 1.00 71.42 H new ATOM 0 HB2 GLN A 18 25.883 -2.803 -7.720 1.00 1.14 H new ATOM 0 HB3 GLN A 18 26.888 -4.210 -7.437 1.00 1.14 H new ATOM 0 HG2 GLN A 18 24.780 -3.018 -5.627 1.00 70.51 H new ATOM 0 HG3 GLN A 18 24.840 -4.630 -6.311 1.00 70.51 H new ATOM 0 HE21 GLN A 18 26.063 -2.476 -3.812 1.00 23.20 H new ATOM 0 HE22 GLN A 18 26.826 -3.724 -2.821 1.00 23.20 H new ATOM 304 N LEU A 19 28.179 -1.305 -8.437 1.00 24.11 N ATOM 305 CA LEU A 19 29.066 -0.938 -9.536 1.00 12.33 C ATOM 306 C LEU A 19 29.969 0.226 -9.141 1.00 1.31 C ATOM 307 O LEU A 19 31.191 0.090 -9.098 1.00 40.42 O ATOM 308 CB LEU A 19 28.248 -0.566 -10.774 1.00 63.42 C ATOM 309 CG LEU A 19 27.362 -1.672 -11.350 1.00 4.12 C ATOM 310 CD1 LEU A 19 26.706 -1.211 -12.642 1.00 61.31 C ATOM 311 CD2 LEU A 19 28.174 -2.938 -11.583 1.00 74.13 C ATOM 0 H LEU A 19 27.261 -0.862 -8.470 1.00 24.11 H new ATOM 0 HA LEU A 19 29.694 -1.799 -9.767 1.00 12.33 H new ATOM 0 HB2 LEU A 19 27.615 0.286 -10.524 1.00 63.42 H new ATOM 0 HB3 LEU A 19 28.935 -0.236 -11.553 1.00 63.42 H new ATOM 0 HG LEU A 19 26.577 -1.896 -10.628 1.00 4.12 H new ATOM 0 HD11 LEU A 19 26.080 -2.011 -13.037 1.00 61.31 H new ATOM 0 HD12 LEU A 19 26.092 -0.332 -12.445 1.00 61.31 H new ATOM 0 HD13 LEU A 19 27.476 -0.959 -13.371 1.00 61.31 H new ATOM 0 HD21 LEU A 19 27.528 -3.714 -11.993 1.00 74.13 H new ATOM 0 HD22 LEU A 19 28.981 -2.729 -12.286 1.00 74.13 H new ATOM 0 HD23 LEU A 19 28.596 -3.279 -10.637 1.00 74.13 H new ATOM 323 N GLY A 20 29.358 1.371 -8.851 1.00 0.13 N ATOM 324 CA GLY A 20 30.122 2.542 -8.461 1.00 20.31 C ATOM 325 C GLY A 20 30.064 3.644 -9.499 1.00 53.33 C ATOM 326 O GLY A 20 30.892 4.555 -9.496 1.00 10.13 O ATOM 0 H GLY A 20 28.348 1.508 -8.879 1.00 0.13 H new ATOM 0 HA2 GLY A 20 29.742 2.921 -7.512 1.00 20.31 H new ATOM 0 HA3 GLY A 20 31.161 2.256 -8.297 1.00 20.31 H new ATOM 330 N VAL A 21 29.083 3.562 -10.393 1.00 10.31 N ATOM 331 CA VAL A 21 28.920 4.561 -11.443 1.00 30.21 C ATOM 332 C VAL A 21 27.723 5.462 -11.163 1.00 12.21 C ATOM 333 O VAL A 21 27.096 5.369 -10.107 1.00 72.14 O ATOM 334 CB VAL A 21 28.740 3.900 -12.823 1.00 13.25 C ATOM 335 CG1 VAL A 21 29.908 2.976 -13.129 1.00 21.42 C ATOM 336 CG2 VAL A 21 27.421 3.144 -12.883 1.00 10.25 C ATOM 0 H VAL A 21 28.389 2.814 -10.411 1.00 10.31 H new ATOM 0 HA VAL A 21 29.829 5.162 -11.452 1.00 30.21 H new ATOM 0 HB VAL A 21 28.719 4.682 -13.582 1.00 13.25 H new ATOM 0 HG11 VAL A 21 29.763 2.518 -14.108 1.00 21.42 H new ATOM 0 HG12 VAL A 21 30.835 3.549 -13.130 1.00 21.42 H new ATOM 0 HG13 VAL A 21 29.964 2.197 -12.369 1.00 21.42 H new ATOM 0 HG21 VAL A 21 27.310 2.683 -13.865 1.00 10.25 H new ATOM 0 HG22 VAL A 21 27.410 2.370 -12.116 1.00 10.25 H new ATOM 0 HG23 VAL A 21 26.597 3.836 -12.712 1.00 10.25 H new ATOM 346 N ASP A 22 27.411 6.334 -12.115 1.00 54.30 N ATOM 347 CA ASP A 22 26.287 7.253 -11.972 1.00 72.42 C ATOM 348 C ASP A 22 24.971 6.557 -12.307 1.00 51.43 C ATOM 349 O ASP A 22 24.814 5.995 -13.391 1.00 11.43 O ATOM 350 CB ASP A 22 26.479 8.472 -12.876 1.00 35.41 C ATOM 351 CG ASP A 22 25.684 9.673 -12.403 1.00 42.33 C ATOM 352 OD1 ASP A 22 24.484 9.509 -12.098 1.00 42.12 O ATOM 353 OD2 ASP A 22 26.263 10.778 -12.338 1.00 33.21 O ATOM 0 H ASP A 22 27.920 6.424 -12.994 1.00 54.30 H new ATOM 0 HA ASP A 22 26.249 7.583 -10.934 1.00 72.42 H new ATOM 0 HB2 ASP A 22 27.537 8.731 -12.912 1.00 35.41 H new ATOM 0 HB3 ASP A 22 26.178 8.218 -13.893 1.00 35.41 H new ATOM 358 N GLU A 23 24.030 6.599 -11.370 1.00 14.34 N ATOM 359 CA GLU A 23 22.728 5.971 -11.566 1.00 3.31 C ATOM 360 C GLU A 23 22.065 6.482 -12.842 1.00 14.05 C ATOM 361 O GLU A 23 21.252 5.788 -13.452 1.00 31.13 O ATOM 362 CB GLU A 23 21.821 6.240 -10.363 1.00 61.23 C ATOM 363 CG GLU A 23 21.636 7.717 -10.058 1.00 71.32 C ATOM 364 CD GLU A 23 20.500 8.338 -10.848 1.00 65.35 C ATOM 365 OE1 GLU A 23 19.484 7.647 -11.071 1.00 3.11 O ATOM 366 OE2 GLU A 23 20.629 9.515 -11.244 1.00 53.43 O ATOM 0 H GLU A 23 24.144 7.061 -10.468 1.00 14.34 H new ATOM 0 HA GLU A 23 22.882 4.896 -11.662 1.00 3.31 H new ATOM 0 HB2 GLU A 23 20.845 5.791 -10.547 1.00 61.23 H new ATOM 0 HB3 GLU A 23 22.239 5.746 -9.486 1.00 61.23 H new ATOM 0 HG2 GLU A 23 21.444 7.843 -8.992 1.00 71.32 H new ATOM 0 HG3 GLU A 23 22.561 8.249 -10.280 1.00 71.32 H new ATOM 373 N ALA A 24 22.417 7.701 -13.238 1.00 30.42 N ATOM 374 CA ALA A 24 21.857 8.304 -14.441 1.00 5.42 C ATOM 375 C ALA A 24 22.234 7.504 -15.683 1.00 30.12 C ATOM 376 O ALA A 24 21.367 7.090 -16.451 1.00 72.04 O ATOM 377 CB ALA A 24 22.328 9.745 -14.576 1.00 61.12 C ATOM 0 H ALA A 24 23.087 8.290 -12.743 1.00 30.42 H new ATOM 0 HA ALA A 24 20.771 8.294 -14.351 1.00 5.42 H new ATOM 0 HB1 ALA A 24 21.903 10.184 -15.479 1.00 61.12 H new ATOM 0 HB2 ALA A 24 22.003 10.317 -13.707 1.00 61.12 H new ATOM 0 HB3 ALA A 24 23.416 9.768 -14.640 1.00 61.12 H new ATOM 383 N GLU A 25 23.532 7.290 -15.873 1.00 3.53 N ATOM 384 CA GLU A 25 24.022 6.540 -17.023 1.00 42.53 C ATOM 385 C GLU A 25 23.309 5.197 -17.141 1.00 35.21 C ATOM 386 O GLU A 25 23.126 4.672 -18.240 1.00 12.25 O ATOM 387 CB GLU A 25 25.532 6.320 -16.911 1.00 42.22 C ATOM 388 CG GLU A 25 26.336 7.609 -16.902 1.00 44.41 C ATOM 389 CD GLU A 25 26.509 8.199 -18.288 1.00 55.34 C ATOM 390 OE1 GLU A 25 27.167 7.554 -19.131 1.00 12.32 O ATOM 391 OE2 GLU A 25 25.984 9.307 -18.530 1.00 62.25 O ATOM 0 H GLU A 25 24.263 7.625 -15.245 1.00 3.53 H new ATOM 0 HA GLU A 25 23.813 7.123 -17.920 1.00 42.53 H new ATOM 0 HB2 GLU A 25 25.743 5.764 -15.998 1.00 42.22 H new ATOM 0 HB3 GLU A 25 25.863 5.701 -17.745 1.00 42.22 H new ATOM 0 HG2 GLU A 25 25.840 8.337 -16.261 1.00 44.41 H new ATOM 0 HG3 GLU A 25 27.317 7.418 -16.468 1.00 44.41 H new ATOM 398 N VAL A 26 22.908 4.645 -16.000 1.00 75.42 N ATOM 399 CA VAL A 26 22.213 3.363 -15.974 1.00 25.41 C ATOM 400 C VAL A 26 20.830 3.474 -16.605 1.00 21.42 C ATOM 401 O VAL A 26 19.900 4.005 -15.999 1.00 15.24 O ATOM 402 CB VAL A 26 22.068 2.832 -14.535 1.00 44.31 C ATOM 403 CG1 VAL A 26 21.370 1.481 -14.532 1.00 14.23 C ATOM 404 CG2 VAL A 26 23.430 2.739 -13.862 1.00 54.42 C ATOM 0 H VAL A 26 23.052 5.065 -15.082 1.00 75.42 H new ATOM 0 HA VAL A 26 22.817 2.664 -16.552 1.00 25.41 H new ATOM 0 HB VAL A 26 21.455 3.532 -13.968 1.00 44.31 H new ATOM 0 HG11 VAL A 26 21.277 1.122 -13.507 1.00 14.23 H new ATOM 0 HG12 VAL A 26 20.378 1.583 -14.973 1.00 14.23 H new ATOM 0 HG13 VAL A 26 21.954 0.768 -15.114 1.00 14.23 H new ATOM 0 HG21 VAL A 26 23.309 2.362 -12.846 1.00 54.42 H new ATOM 0 HG22 VAL A 26 24.069 2.061 -14.427 1.00 54.42 H new ATOM 0 HG23 VAL A 26 23.888 3.727 -13.830 1.00 54.42 H new ATOM 414 N LYS A 27 20.701 2.968 -17.827 1.00 32.13 N ATOM 415 CA LYS A 27 19.431 3.008 -18.541 1.00 74.34 C ATOM 416 C LYS A 27 18.480 1.934 -18.022 1.00 21.23 C ATOM 417 O LYS A 27 18.909 0.852 -17.623 1.00 4.11 O ATOM 418 CB LYS A 27 19.660 2.818 -20.042 1.00 62.54 C ATOM 419 CG LYS A 27 20.056 4.094 -20.764 1.00 14.32 C ATOM 420 CD LYS A 27 18.842 4.948 -21.091 1.00 44.52 C ATOM 421 CE LYS A 27 18.043 4.362 -22.244 1.00 74.13 C ATOM 422 NZ LYS A 27 17.056 5.337 -22.788 1.00 25.52 N ATOM 0 H LYS A 27 21.461 2.525 -18.343 1.00 32.13 H new ATOM 0 HA LYS A 27 18.977 3.984 -18.369 1.00 74.34 H new ATOM 0 HB2 LYS A 27 20.439 2.070 -20.190 1.00 62.54 H new ATOM 0 HB3 LYS A 27 18.749 2.423 -20.493 1.00 62.54 H new ATOM 0 HG2 LYS A 27 20.747 4.665 -20.144 1.00 14.32 H new ATOM 0 HG3 LYS A 27 20.585 3.844 -21.684 1.00 14.32 H new ATOM 0 HD2 LYS A 27 18.205 5.030 -20.210 1.00 44.52 H new ATOM 0 HD3 LYS A 27 19.164 5.958 -21.346 1.00 44.52 H new ATOM 0 HE2 LYS A 27 18.724 4.053 -23.037 1.00 74.13 H new ATOM 0 HE3 LYS A 27 17.521 3.467 -21.906 1.00 74.13 H new ATOM 0 HZ1 LYS A 27 16.532 4.899 -23.572 1.00 25.52 H new ATOM 0 HZ2 LYS A 27 16.391 5.613 -22.038 1.00 25.52 H new ATOM 0 HZ3 LYS A 27 17.556 6.181 -23.134 1.00 25.52 H new ATOM 436 N ASN A 28 17.187 2.240 -18.031 1.00 33.02 N ATOM 437 CA ASN A 28 16.175 1.300 -17.561 1.00 65.00 C ATOM 438 C ASN A 28 16.020 0.136 -18.535 1.00 41.23 C ATOM 439 O ASN A 28 15.946 -1.022 -18.127 1.00 2.04 O ATOM 440 CB ASN A 28 14.833 2.011 -17.380 1.00 51.24 C ATOM 441 CG ASN A 28 14.715 2.690 -16.029 1.00 62.51 C ATOM 442 OD1 ASN A 28 15.396 3.678 -15.757 1.00 42.31 O ATOM 443 ND2 ASN A 28 13.848 2.159 -15.175 1.00 11.23 N ATOM 0 H ASN A 28 16.815 3.131 -18.358 1.00 33.02 H new ATOM 0 HA ASN A 28 16.501 0.905 -16.599 1.00 65.00 H new ATOM 0 HB2 ASN A 28 14.709 2.753 -18.169 1.00 51.24 H new ATOM 0 HB3 ASN A 28 14.024 1.289 -17.492 1.00 51.24 H new ATOM 0 HD21 ASN A 28 13.726 2.571 -14.250 1.00 11.23 H new ATOM 0 HD22 ASN A 28 13.304 1.339 -15.444 1.00 11.23 H new ATOM 450 N GLU A 29 15.972 0.454 -19.825 1.00 70.13 N ATOM 451 CA GLU A 29 15.825 -0.566 -20.857 1.00 43.34 C ATOM 452 C GLU A 29 17.095 -1.403 -20.979 1.00 61.23 C ATOM 453 O GLU A 29 17.052 -2.557 -21.406 1.00 50.53 O ATOM 454 CB GLU A 29 15.498 0.083 -22.204 1.00 1.31 C ATOM 455 CG GLU A 29 14.244 0.941 -22.178 1.00 31.44 C ATOM 456 CD GLU A 29 12.988 0.147 -22.484 1.00 45.42 C ATOM 457 OE1 GLU A 29 12.831 -0.955 -21.919 1.00 22.11 O ATOM 458 OE2 GLU A 29 12.164 0.628 -23.289 1.00 52.40 O ATOM 0 H GLU A 29 16.033 1.408 -20.180 1.00 70.13 H new ATOM 0 HA GLU A 29 15.004 -1.222 -20.569 1.00 43.34 H new ATOM 0 HB2 GLU A 29 16.342 0.698 -22.516 1.00 1.31 H new ATOM 0 HB3 GLU A 29 15.378 -0.698 -22.955 1.00 1.31 H new ATOM 0 HG2 GLU A 29 14.146 1.405 -21.197 1.00 31.44 H new ATOM 0 HG3 GLU A 29 14.345 1.748 -22.904 1.00 31.44 H new ATOM 465 N ALA A 30 18.224 -0.813 -20.601 1.00 64.33 N ATOM 466 CA ALA A 30 19.506 -1.504 -20.666 1.00 62.35 C ATOM 467 C ALA A 30 19.599 -2.592 -19.601 1.00 55.52 C ATOM 468 O ALA A 30 18.795 -2.630 -18.669 1.00 64.41 O ATOM 469 CB ALA A 30 20.649 -0.512 -20.511 1.00 62.12 C ATOM 0 H ALA A 30 18.277 0.142 -20.247 1.00 64.33 H new ATOM 0 HA ALA A 30 19.584 -1.981 -21.643 1.00 62.35 H new ATOM 0 HB1 ALA A 30 21.600 -1.042 -20.561 1.00 62.12 H new ATOM 0 HB2 ALA A 30 20.602 0.226 -21.312 1.00 62.12 H new ATOM 0 HB3 ALA A 30 20.565 -0.008 -19.548 1.00 62.12 H new ATOM 475 N SER A 31 20.582 -3.473 -19.746 1.00 63.51 N ATOM 476 CA SER A 31 20.777 -4.565 -18.798 1.00 54.53 C ATOM 477 C SER A 31 21.979 -4.295 -17.899 1.00 20.13 C ATOM 478 O SER A 31 22.560 -3.210 -17.928 1.00 11.11 O ATOM 479 CB SER A 31 20.969 -5.887 -19.543 1.00 73.00 C ATOM 480 OG SER A 31 20.865 -6.990 -18.659 1.00 52.21 O ATOM 0 H SER A 31 21.257 -3.453 -20.511 1.00 63.51 H new ATOM 0 HA SER A 31 19.887 -4.635 -18.173 1.00 54.53 H new ATOM 0 HB2 SER A 31 20.221 -5.976 -20.331 1.00 73.00 H new ATOM 0 HB3 SER A 31 21.945 -5.896 -20.028 1.00 73.00 H new ATOM 0 HG SER A 31 21.740 -7.423 -18.572 1.00 52.21 H new ATOM 486 N PHE A 32 22.347 -5.291 -17.100 1.00 10.05 N ATOM 487 CA PHE A 32 23.479 -5.163 -16.190 1.00 5.31 C ATOM 488 C PHE A 32 24.785 -5.521 -16.893 1.00 63.21 C ATOM 489 O PHE A 32 25.866 -5.117 -16.464 1.00 1.00 O ATOM 490 CB PHE A 32 23.283 -6.061 -14.967 1.00 14.43 C ATOM 491 CG PHE A 32 21.972 -5.842 -14.267 1.00 55.23 C ATOM 492 CD1 PHE A 32 21.437 -4.569 -14.151 1.00 3.33 C ATOM 493 CD2 PHE A 32 21.274 -6.909 -13.726 1.00 35.32 C ATOM 494 CE1 PHE A 32 20.231 -4.364 -13.508 1.00 51.10 C ATOM 495 CE2 PHE A 32 20.067 -6.711 -13.082 1.00 54.35 C ATOM 496 CZ PHE A 32 19.545 -5.436 -12.972 1.00 62.33 C ATOM 0 H PHE A 32 21.878 -6.196 -17.064 1.00 10.05 H new ATOM 0 HA PHE A 32 23.534 -4.124 -15.864 1.00 5.31 H new ATOM 0 HB2 PHE A 32 23.351 -7.104 -15.277 1.00 14.43 H new ATOM 0 HB3 PHE A 32 24.096 -5.885 -14.263 1.00 14.43 H new ATOM 0 HD1 PHE A 32 21.969 -3.727 -14.568 1.00 3.33 H new ATOM 0 HD2 PHE A 32 21.677 -7.907 -13.808 1.00 35.32 H new ATOM 0 HE1 PHE A 32 19.825 -3.366 -13.425 1.00 51.10 H new ATOM 0 HE2 PHE A 32 19.532 -7.552 -12.665 1.00 54.35 H new ATOM 0 HZ PHE A 32 18.603 -5.278 -12.468 1.00 62.33 H new ATOM 506 N VAL A 33 24.677 -6.284 -17.977 1.00 0.25 N ATOM 507 CA VAL A 33 25.848 -6.697 -18.741 1.00 30.35 C ATOM 508 C VAL A 33 25.777 -6.186 -20.175 1.00 72.20 C ATOM 509 O VAL A 33 26.793 -5.822 -20.766 1.00 43.23 O ATOM 510 CB VAL A 33 25.993 -8.231 -18.760 1.00 54.41 C ATOM 511 CG1 VAL A 33 26.346 -8.751 -17.375 1.00 72.53 C ATOM 512 CG2 VAL A 33 24.716 -8.879 -19.273 1.00 71.31 C ATOM 0 H VAL A 33 23.790 -6.628 -18.345 1.00 0.25 H new ATOM 0 HA VAL A 33 26.718 -6.263 -18.247 1.00 30.35 H new ATOM 0 HB VAL A 33 26.805 -8.494 -19.438 1.00 54.41 H new ATOM 0 HG11 VAL A 33 26.444 -9.836 -17.408 1.00 72.53 H new ATOM 0 HG12 VAL A 33 27.289 -8.311 -17.051 1.00 72.53 H new ATOM 0 HG13 VAL A 33 25.558 -8.479 -16.673 1.00 72.53 H new ATOM 0 HG21 VAL A 33 24.835 -9.962 -19.280 1.00 71.31 H new ATOM 0 HG22 VAL A 33 23.884 -8.610 -18.622 1.00 71.31 H new ATOM 0 HG23 VAL A 33 24.512 -8.530 -20.285 1.00 71.31 H new ATOM 522 N ASP A 34 24.570 -6.162 -20.729 1.00 53.41 N ATOM 523 CA ASP A 34 24.365 -5.693 -22.095 1.00 34.31 C ATOM 524 C ASP A 34 24.998 -4.321 -22.300 1.00 2.24 C ATOM 525 O ASP A 34 25.961 -4.177 -23.054 1.00 14.43 O ATOM 526 CB ASP A 34 22.871 -5.632 -22.417 1.00 33.41 C ATOM 527 CG ASP A 34 22.595 -5.729 -23.904 1.00 73.55 C ATOM 528 OD1 ASP A 34 22.734 -6.838 -24.462 1.00 42.22 O ATOM 529 OD2 ASP A 34 22.240 -4.697 -24.511 1.00 41.12 O ATOM 0 H ASP A 34 23.719 -6.462 -20.254 1.00 53.41 H new ATOM 0 HA ASP A 34 24.846 -6.400 -22.771 1.00 34.31 H new ATOM 0 HB2 ASP A 34 22.358 -6.444 -21.901 1.00 33.41 H new ATOM 0 HB3 ASP A 34 22.457 -4.699 -22.034 1.00 33.41 H new ATOM 534 N ASP A 35 24.451 -3.316 -21.624 1.00 43.14 N ATOM 535 CA ASP A 35 24.963 -1.954 -21.732 1.00 73.50 C ATOM 536 C ASP A 35 26.020 -1.685 -20.666 1.00 33.25 C ATOM 537 O ASP A 35 27.128 -1.245 -20.972 1.00 43.52 O ATOM 538 CB ASP A 35 23.820 -0.946 -21.602 1.00 3.14 C ATOM 539 CG ASP A 35 24.179 0.412 -22.173 1.00 33.12 C ATOM 540 OD1 ASP A 35 24.247 0.534 -23.414 1.00 31.14 O ATOM 541 OD2 ASP A 35 24.392 1.352 -21.379 1.00 51.40 O ATOM 0 H ASP A 35 23.654 -3.419 -20.996 1.00 43.14 H new ATOM 0 HA ASP A 35 25.426 -1.842 -22.712 1.00 73.50 H new ATOM 0 HB2 ASP A 35 22.939 -1.332 -22.115 1.00 3.14 H new ATOM 0 HB3 ASP A 35 23.554 -0.836 -20.551 1.00 3.14 H new ATOM 546 N LEU A 36 25.669 -1.952 -19.412 1.00 43.32 N ATOM 547 CA LEU A 36 26.587 -1.737 -18.299 1.00 25.30 C ATOM 548 C LEU A 36 27.930 -2.413 -18.562 1.00 54.43 C ATOM 549 O LEU A 36 28.983 -1.879 -18.216 1.00 72.33 O ATOM 550 CB LEU A 36 25.980 -2.273 -17.001 1.00 42.50 C ATOM 551 CG LEU A 36 25.257 -1.248 -16.126 1.00 75.32 C ATOM 552 CD1 LEU A 36 24.226 -0.483 -16.942 1.00 4.41 C ATOM 553 CD2 LEU A 36 24.597 -1.933 -14.938 1.00 72.11 C ATOM 0 H LEU A 36 24.756 -2.317 -19.141 1.00 43.32 H new ATOM 0 HA LEU A 36 26.754 -0.664 -18.200 1.00 25.30 H new ATOM 0 HB2 LEU A 36 25.277 -3.067 -17.253 1.00 42.50 H new ATOM 0 HB3 LEU A 36 26.776 -2.728 -16.411 1.00 42.50 H new ATOM 0 HG LEU A 36 25.992 -0.537 -15.749 1.00 75.32 H new ATOM 0 HD11 LEU A 36 23.721 0.242 -16.303 1.00 4.41 H new ATOM 0 HD12 LEU A 36 24.723 0.038 -17.760 1.00 4.41 H new ATOM 0 HD13 LEU A 36 23.493 -1.180 -17.348 1.00 4.41 H new ATOM 0 HD21 LEU A 36 24.087 -1.189 -14.326 1.00 72.11 H new ATOM 0 HD22 LEU A 36 23.874 -2.666 -15.296 1.00 72.11 H new ATOM 0 HD23 LEU A 36 25.357 -2.436 -14.340 1.00 72.11 H new ATOM 565 N GLY A 37 27.883 -3.590 -19.179 1.00 43.53 N ATOM 566 CA GLY A 37 29.102 -4.317 -19.481 1.00 21.53 C ATOM 567 C GLY A 37 29.662 -5.037 -18.270 1.00 2.13 C ATOM 568 O GLY A 37 30.847 -5.368 -18.229 1.00 53.10 O ATOM 0 H GLY A 37 27.023 -4.052 -19.475 1.00 43.53 H new ATOM 0 HA2 GLY A 37 28.903 -5.041 -20.271 1.00 21.53 H new ATOM 0 HA3 GLY A 37 29.850 -3.623 -19.865 1.00 21.53 H new ATOM 572 N ALA A 38 28.809 -5.278 -17.280 1.00 20.13 N ATOM 573 CA ALA A 38 29.225 -5.963 -16.062 1.00 45.12 C ATOM 574 C ALA A 38 29.312 -7.469 -16.282 1.00 31.40 C ATOM 575 O ALA A 38 29.133 -7.955 -17.399 1.00 43.43 O ATOM 576 CB ALA A 38 28.265 -5.648 -14.925 1.00 5.33 C ATOM 0 H ALA A 38 27.825 -5.009 -17.297 1.00 20.13 H new ATOM 0 HA ALA A 38 30.218 -5.604 -15.794 1.00 45.12 H new ATOM 0 HB1 ALA A 38 28.588 -6.166 -14.022 1.00 5.33 H new ATOM 0 HB2 ALA A 38 28.256 -4.573 -14.743 1.00 5.33 H new ATOM 0 HB3 ALA A 38 27.262 -5.979 -15.194 1.00 5.33 H new ATOM 582 N ASP A 39 29.587 -8.204 -15.210 1.00 3.01 N ATOM 583 CA ASP A 39 29.697 -9.656 -15.286 1.00 21.22 C ATOM 584 C ASP A 39 28.588 -10.328 -14.482 1.00 52.32 C ATOM 585 O ASP A 39 27.780 -9.657 -13.840 1.00 32.00 O ATOM 586 CB ASP A 39 31.064 -10.113 -14.773 1.00 33.11 C ATOM 587 CG ASP A 39 32.173 -9.856 -15.774 1.00 21.15 C ATOM 588 OD1 ASP A 39 32.294 -10.638 -16.740 1.00 55.23 O ATOM 589 OD2 ASP A 39 32.921 -8.873 -15.590 1.00 55.25 O ATOM 0 H ASP A 39 29.738 -7.818 -14.278 1.00 3.01 H new ATOM 0 HA ASP A 39 29.593 -9.949 -16.331 1.00 21.22 H new ATOM 0 HB2 ASP A 39 31.291 -9.594 -13.842 1.00 33.11 H new ATOM 0 HB3 ASP A 39 31.025 -11.178 -14.543 1.00 33.11 H new ATOM 594 N SER A 40 28.555 -11.656 -14.524 1.00 12.22 N ATOM 595 CA SER A 40 27.542 -12.418 -13.804 1.00 33.24 C ATOM 596 C SER A 40 27.495 -12.008 -12.335 1.00 21.01 C ATOM 597 O SER A 40 26.442 -12.058 -11.697 1.00 44.53 O ATOM 598 CB SER A 40 27.825 -13.917 -13.917 1.00 74.44 C ATOM 599 OG SER A 40 28.332 -14.245 -15.199 1.00 43.23 O ATOM 0 H SER A 40 29.218 -12.226 -15.049 1.00 12.22 H new ATOM 0 HA SER A 40 26.573 -12.203 -14.255 1.00 33.24 H new ATOM 0 HB2 SER A 40 28.543 -14.213 -13.152 1.00 74.44 H new ATOM 0 HB3 SER A 40 26.910 -14.478 -13.730 1.00 74.44 H new ATOM 0 HG SER A 40 28.506 -15.208 -15.245 1.00 43.23 H new ATOM 605 N LEU A 41 28.643 -11.603 -11.804 1.00 4.11 N ATOM 606 CA LEU A 41 28.736 -11.183 -10.410 1.00 32.43 C ATOM 607 C LEU A 41 27.823 -9.992 -10.138 1.00 10.00 C ATOM 608 O LEU A 41 27.139 -9.942 -9.115 1.00 41.45 O ATOM 609 CB LEU A 41 30.181 -10.824 -10.059 1.00 53.35 C ATOM 610 CG LEU A 41 30.604 -11.080 -8.613 1.00 3.53 C ATOM 611 CD1 LEU A 41 30.802 -12.568 -8.369 1.00 55.34 C ATOM 612 CD2 LEU A 41 31.876 -10.311 -8.285 1.00 40.44 C ATOM 0 H LEU A 41 29.523 -11.556 -12.318 1.00 4.11 H new ATOM 0 HA LEU A 41 28.413 -12.015 -9.784 1.00 32.43 H new ATOM 0 HB2 LEU A 41 30.844 -11.388 -10.715 1.00 53.35 H new ATOM 0 HB3 LEU A 41 30.336 -9.768 -10.280 1.00 53.35 H new ATOM 0 HG LEU A 41 29.809 -10.727 -7.955 1.00 3.53 H new ATOM 0 HD11 LEU A 41 31.103 -12.730 -7.334 1.00 55.34 H new ATOM 0 HD12 LEU A 41 29.868 -13.096 -8.562 1.00 55.34 H new ATOM 0 HD13 LEU A 41 31.577 -12.946 -9.036 1.00 55.34 H new ATOM 0 HD21 LEU A 41 32.162 -10.505 -7.251 1.00 40.44 H new ATOM 0 HD22 LEU A 41 32.677 -10.633 -8.950 1.00 40.44 H new ATOM 0 HD23 LEU A 41 31.700 -9.244 -8.418 1.00 40.44 H new ATOM 624 N ASP A 42 27.816 -9.036 -11.061 1.00 30.34 N ATOM 625 CA ASP A 42 26.984 -7.846 -10.923 1.00 24.25 C ATOM 626 C ASP A 42 25.512 -8.224 -10.795 1.00 30.01 C ATOM 627 O ASP A 42 24.848 -7.859 -9.824 1.00 74.22 O ATOM 628 CB ASP A 42 27.183 -6.917 -12.121 1.00 64.10 C ATOM 629 CG ASP A 42 26.217 -5.749 -12.115 1.00 32.21 C ATOM 630 OD1 ASP A 42 25.689 -5.422 -11.032 1.00 2.14 O ATOM 631 OD2 ASP A 42 25.987 -5.163 -13.194 1.00 1.03 O ATOM 0 H ASP A 42 28.377 -9.062 -11.913 1.00 30.34 H new ATOM 0 HA ASP A 42 27.287 -7.324 -10.015 1.00 24.25 H new ATOM 0 HB2 ASP A 42 28.205 -6.539 -12.118 1.00 64.10 H new ATOM 0 HB3 ASP A 42 27.056 -7.485 -13.043 1.00 64.10 H new ATOM 636 N THR A 43 25.006 -8.957 -11.782 1.00 44.23 N ATOM 637 CA THR A 43 23.612 -9.382 -11.782 1.00 64.10 C ATOM 638 C THR A 43 23.243 -10.054 -10.464 1.00 52.34 C ATOM 639 O THR A 43 22.299 -9.642 -9.789 1.00 42.14 O ATOM 640 CB THR A 43 23.322 -10.355 -12.940 1.00 73.03 C ATOM 641 OG1 THR A 43 24.177 -11.499 -12.845 1.00 63.34 O ATOM 642 CG2 THR A 43 23.526 -9.673 -14.284 1.00 42.34 C ATOM 0 H THR A 43 25.542 -9.269 -12.592 1.00 44.23 H new ATOM 0 HA THR A 43 23.007 -8.484 -11.911 1.00 64.10 H new ATOM 0 HB THR A 43 22.282 -10.673 -12.866 1.00 73.03 H new ATOM 0 HG1 THR A 43 25.071 -11.217 -12.559 1.00 63.34 H new ATOM 0 HG21 THR A 43 23.315 -10.380 -15.086 1.00 42.34 H new ATOM 0 HG22 THR A 43 22.852 -8.820 -14.365 1.00 42.34 H new ATOM 0 HG23 THR A 43 24.557 -9.329 -14.365 1.00 42.34 H new ATOM 650 N VAL A 44 23.993 -11.090 -10.103 1.00 33.02 N ATOM 651 CA VAL A 44 23.745 -11.818 -8.864 1.00 53.11 C ATOM 652 C VAL A 44 23.735 -10.876 -7.666 1.00 5.25 C ATOM 653 O VAL A 44 22.933 -11.034 -6.746 1.00 24.11 O ATOM 654 CB VAL A 44 24.804 -12.913 -8.635 1.00 13.53 C ATOM 655 CG1 VAL A 44 24.508 -13.682 -7.356 1.00 44.21 C ATOM 656 CG2 VAL A 44 24.866 -13.852 -9.830 1.00 13.05 C ATOM 0 H VAL A 44 24.777 -11.444 -10.651 1.00 33.02 H new ATOM 0 HA VAL A 44 22.765 -12.286 -8.962 1.00 53.11 H new ATOM 0 HB VAL A 44 25.778 -12.436 -8.527 1.00 13.53 H new ATOM 0 HG11 VAL A 44 25.266 -14.451 -7.210 1.00 44.21 H new ATOM 0 HG12 VAL A 44 24.519 -12.997 -6.509 1.00 44.21 H new ATOM 0 HG13 VAL A 44 23.526 -14.150 -7.432 1.00 44.21 H new ATOM 0 HG21 VAL A 44 25.619 -14.619 -9.651 1.00 13.05 H new ATOM 0 HG22 VAL A 44 23.894 -14.324 -9.973 1.00 13.05 H new ATOM 0 HG23 VAL A 44 25.129 -13.286 -10.724 1.00 13.05 H new ATOM 666 N GLU A 45 24.633 -9.895 -7.684 1.00 33.03 N ATOM 667 CA GLU A 45 24.728 -8.927 -6.597 1.00 75.21 C ATOM 668 C GLU A 45 23.413 -8.171 -6.425 1.00 70.55 C ATOM 669 O GLU A 45 22.921 -8.005 -5.309 1.00 35.13 O ATOM 670 CB GLU A 45 25.866 -7.939 -6.862 1.00 75.33 C ATOM 671 CG GLU A 45 27.085 -8.166 -5.985 1.00 1.12 C ATOM 672 CD GLU A 45 28.090 -9.111 -6.615 1.00 51.41 C ATOM 673 OE1 GLU A 45 28.985 -8.627 -7.340 1.00 13.43 O ATOM 674 OE2 GLU A 45 27.982 -10.333 -6.384 1.00 53.15 O ATOM 0 H GLU A 45 25.304 -9.750 -8.438 1.00 33.03 H new ATOM 0 HA GLU A 45 24.937 -9.472 -5.677 1.00 75.21 H new ATOM 0 HB2 GLU A 45 26.163 -8.012 -7.908 1.00 75.33 H new ATOM 0 HB3 GLU A 45 25.499 -6.925 -6.705 1.00 75.33 H new ATOM 0 HG2 GLU A 45 27.567 -7.209 -5.785 1.00 1.12 H new ATOM 0 HG3 GLU A 45 26.766 -8.569 -5.024 1.00 1.12 H new ATOM 681 N LEU A 46 22.850 -7.715 -7.539 1.00 30.41 N ATOM 682 CA LEU A 46 21.592 -6.976 -7.513 1.00 64.52 C ATOM 683 C LEU A 46 20.449 -7.865 -7.034 1.00 13.51 C ATOM 684 O LEU A 46 19.572 -7.420 -6.293 1.00 2.05 O ATOM 685 CB LEU A 46 21.275 -6.423 -8.903 1.00 42.53 C ATOM 686 CG LEU A 46 22.383 -5.607 -9.570 1.00 4.43 C ATOM 687 CD1 LEU A 46 21.867 -4.938 -10.834 1.00 41.22 C ATOM 688 CD2 LEU A 46 22.937 -4.569 -8.603 1.00 74.34 C ATOM 0 H LEU A 46 23.244 -7.844 -8.471 1.00 30.41 H new ATOM 0 HA LEU A 46 21.700 -6.146 -6.814 1.00 64.52 H new ATOM 0 HB2 LEU A 46 21.024 -7.259 -9.556 1.00 42.53 H new ATOM 0 HB3 LEU A 46 20.385 -5.798 -8.829 1.00 42.53 H new ATOM 0 HG LEU A 46 23.190 -6.285 -9.846 1.00 4.43 H new ATOM 0 HD11 LEU A 46 22.670 -4.362 -11.294 1.00 41.22 H new ATOM 0 HD12 LEU A 46 21.520 -5.699 -11.533 1.00 41.22 H new ATOM 0 HD13 LEU A 46 21.041 -4.273 -10.582 1.00 41.22 H new ATOM 0 HD21 LEU A 46 23.724 -3.998 -9.094 1.00 74.34 H new ATOM 0 HD22 LEU A 46 22.138 -3.895 -8.295 1.00 74.34 H new ATOM 0 HD23 LEU A 46 23.346 -5.071 -7.726 1.00 74.34 H new ATOM 700 N VAL A 47 20.465 -9.123 -7.461 1.00 32.32 N ATOM 701 CA VAL A 47 19.431 -10.075 -7.073 1.00 20.52 C ATOM 702 C VAL A 47 19.343 -10.203 -5.556 1.00 71.22 C ATOM 703 O VAL A 47 18.295 -9.952 -4.962 1.00 31.20 O ATOM 704 CB VAL A 47 19.693 -11.467 -7.680 1.00 11.42 C ATOM 705 CG1 VAL A 47 18.624 -12.453 -7.234 1.00 64.45 C ATOM 706 CG2 VAL A 47 19.753 -11.382 -9.198 1.00 22.45 C ATOM 0 H VAL A 47 21.183 -9.507 -8.076 1.00 32.32 H new ATOM 0 HA VAL A 47 18.486 -9.691 -7.458 1.00 20.52 H new ATOM 0 HB VAL A 47 20.657 -11.827 -7.321 1.00 11.42 H new ATOM 0 HG11 VAL A 47 18.825 -13.431 -7.672 1.00 64.45 H new ATOM 0 HG12 VAL A 47 18.634 -12.534 -6.147 1.00 64.45 H new ATOM 0 HG13 VAL A 47 17.646 -12.102 -7.563 1.00 64.45 H new ATOM 0 HG21 VAL A 47 19.939 -12.374 -9.611 1.00 22.45 H new ATOM 0 HG22 VAL A 47 18.805 -11.002 -9.579 1.00 22.45 H new ATOM 0 HG23 VAL A 47 20.558 -10.709 -9.493 1.00 22.45 H new ATOM 716 N MET A 48 20.451 -10.595 -4.935 1.00 51.15 N ATOM 717 CA MET A 48 20.499 -10.754 -3.487 1.00 21.33 C ATOM 718 C MET A 48 20.127 -9.453 -2.784 1.00 2.42 C ATOM 719 O MET A 48 19.378 -9.456 -1.807 1.00 44.23 O ATOM 720 CB MET A 48 21.894 -11.204 -3.048 1.00 0.02 C ATOM 721 CG MET A 48 23.008 -10.292 -3.536 1.00 61.31 C ATOM 722 SD MET A 48 24.649 -10.923 -3.134 1.00 35.24 S ATOM 723 CE MET A 48 24.846 -10.311 -1.462 1.00 33.42 C ATOM 0 H MET A 48 21.327 -10.808 -5.412 1.00 51.15 H new ATOM 0 HA MET A 48 19.774 -11.518 -3.206 1.00 21.33 H new ATOM 0 HB2 MET A 48 21.926 -11.252 -1.960 1.00 0.02 H new ATOM 0 HB3 MET A 48 22.074 -12.214 -3.417 1.00 0.02 H new ATOM 0 HG2 MET A 48 22.925 -10.169 -4.616 1.00 61.31 H new ATOM 0 HG3 MET A 48 22.884 -9.304 -3.092 1.00 61.31 H new ATOM 0 HE1 MET A 48 25.816 -10.620 -1.073 1.00 33.42 H new ATOM 0 HE2 MET A 48 24.786 -9.223 -1.463 1.00 33.42 H new ATOM 0 HE3 MET A 48 24.056 -10.717 -0.830 1.00 33.42 H new ATOM 733 N ALA A 49 20.655 -8.342 -3.287 1.00 5.20 N ATOM 734 CA ALA A 49 20.377 -7.033 -2.708 1.00 62.30 C ATOM 735 C ALA A 49 18.879 -6.749 -2.689 1.00 42.43 C ATOM 736 O ALA A 49 18.369 -6.115 -1.764 1.00 73.42 O ATOM 737 CB ALA A 49 21.113 -5.948 -3.479 1.00 41.42 C ATOM 0 H ALA A 49 21.278 -8.322 -4.094 1.00 5.20 H new ATOM 0 HA ALA A 49 20.733 -7.035 -1.678 1.00 62.30 H new ATOM 0 HB1 ALA A 49 20.896 -4.976 -3.036 1.00 41.42 H new ATOM 0 HB2 ALA A 49 22.186 -6.135 -3.436 1.00 41.42 H new ATOM 0 HB3 ALA A 49 20.785 -5.954 -4.518 1.00 41.42 H new ATOM 743 N LEU A 50 18.180 -7.219 -3.716 1.00 34.01 N ATOM 744 CA LEU A 50 16.739 -7.014 -3.818 1.00 32.43 C ATOM 745 C LEU A 50 15.997 -7.832 -2.766 1.00 32.44 C ATOM 746 O LEU A 50 15.202 -7.295 -1.995 1.00 42.22 O ATOM 747 CB LEU A 50 16.247 -7.394 -5.216 1.00 24.44 C ATOM 748 CG LEU A 50 16.607 -6.423 -6.340 1.00 54.05 C ATOM 749 CD1 LEU A 50 16.393 -7.075 -7.698 1.00 32.24 C ATOM 750 CD2 LEU A 50 15.786 -5.146 -6.225 1.00 64.50 C ATOM 0 H LEU A 50 18.587 -7.744 -4.490 1.00 34.01 H new ATOM 0 HA LEU A 50 16.534 -5.958 -3.642 1.00 32.43 H new ATOM 0 HB2 LEU A 50 16.650 -8.375 -5.467 1.00 24.44 H new ATOM 0 HB3 LEU A 50 15.162 -7.494 -5.183 1.00 24.44 H new ATOM 0 HG LEU A 50 17.662 -6.164 -6.246 1.00 54.05 H new ATOM 0 HD11 LEU A 50 16.654 -6.369 -8.486 1.00 32.24 H new ATOM 0 HD12 LEU A 50 17.024 -7.960 -7.780 1.00 32.24 H new ATOM 0 HD13 LEU A 50 15.347 -7.364 -7.802 1.00 32.24 H new ATOM 0 HD21 LEU A 50 16.055 -4.466 -7.033 1.00 64.50 H new ATOM 0 HD22 LEU A 50 14.725 -5.388 -6.293 1.00 64.50 H new ATOM 0 HD23 LEU A 50 15.989 -4.668 -5.266 1.00 64.50 H new ATOM 762 N GLU A 51 16.264 -9.134 -2.739 1.00 20.42 N ATOM 763 CA GLU A 51 15.622 -10.026 -1.780 1.00 1.42 C ATOM 764 C GLU A 51 16.070 -9.706 -0.356 1.00 73.43 C ATOM 765 O GLU A 51 15.473 -10.176 0.612 1.00 3.33 O ATOM 766 CB GLU A 51 15.943 -11.484 -2.112 1.00 33.52 C ATOM 767 CG GLU A 51 17.431 -11.780 -2.180 1.00 25.21 C ATOM 768 CD GLU A 51 17.746 -13.247 -1.960 1.00 35.30 C ATOM 769 OE1 GLU A 51 17.191 -14.090 -2.696 1.00 31.15 O ATOM 770 OE2 GLU A 51 18.547 -13.552 -1.052 1.00 32.13 O ATOM 0 H GLU A 51 16.920 -9.594 -3.370 1.00 20.42 H new ATOM 0 HA GLU A 51 14.545 -9.875 -1.846 1.00 1.42 H new ATOM 0 HB2 GLU A 51 15.487 -12.128 -1.360 1.00 33.52 H new ATOM 0 HB3 GLU A 51 15.487 -11.739 -3.068 1.00 33.52 H new ATOM 0 HG2 GLU A 51 17.815 -11.472 -3.153 1.00 25.21 H new ATOM 0 HG3 GLU A 51 17.951 -11.184 -1.429 1.00 25.21 H new ATOM 777 N GLU A 52 17.124 -8.905 -0.239 1.00 63.43 N ATOM 778 CA GLU A 52 17.653 -8.525 1.065 1.00 13.24 C ATOM 779 C GLU A 52 17.059 -7.197 1.527 1.00 74.13 C ATOM 780 O GLU A 52 16.594 -7.074 2.660 1.00 45.15 O ATOM 781 CB GLU A 52 19.178 -8.422 1.012 1.00 24.53 C ATOM 782 CG GLU A 52 19.883 -9.762 1.145 1.00 3.12 C ATOM 783 CD GLU A 52 21.371 -9.668 0.868 1.00 62.31 C ATOM 784 OE1 GLU A 52 21.743 -9.449 -0.304 1.00 72.52 O ATOM 785 OE2 GLU A 52 22.163 -9.814 1.822 1.00 44.11 O ATOM 0 H GLU A 52 17.628 -8.507 -1.031 1.00 63.43 H new ATOM 0 HA GLU A 52 17.373 -9.298 1.781 1.00 13.24 H new ATOM 0 HB2 GLU A 52 19.470 -7.959 0.069 1.00 24.53 H new ATOM 0 HB3 GLU A 52 19.517 -7.762 1.810 1.00 24.53 H new ATOM 0 HG2 GLU A 52 19.728 -10.151 2.151 1.00 3.12 H new ATOM 0 HG3 GLU A 52 19.433 -10.475 0.455 1.00 3.12 H new ATOM 792 N GLU A 53 17.078 -6.207 0.640 1.00 41.21 N ATOM 793 CA GLU A 53 16.543 -4.888 0.957 1.00 51.12 C ATOM 794 C GLU A 53 15.026 -4.863 0.793 1.00 51.31 C ATOM 795 O GLU A 53 14.293 -4.577 1.740 1.00 73.12 O ATOM 796 CB GLU A 53 17.181 -3.825 0.060 1.00 24.03 C ATOM 797 CG GLU A 53 18.483 -3.267 0.610 1.00 1.25 C ATOM 798 CD GLU A 53 19.704 -3.952 0.028 1.00 41.54 C ATOM 799 OE1 GLU A 53 19.843 -5.178 0.217 1.00 33.24 O ATOM 800 OE2 GLU A 53 20.521 -3.262 -0.618 1.00 14.55 O ATOM 0 H GLU A 53 17.458 -6.293 -0.303 1.00 41.21 H new ATOM 0 HA GLU A 53 16.783 -4.667 1.997 1.00 51.12 H new ATOM 0 HB2 GLU A 53 17.367 -4.256 -0.924 1.00 24.03 H new ATOM 0 HB3 GLU A 53 16.474 -3.007 -0.079 1.00 24.03 H new ATOM 0 HG2 GLU A 53 18.535 -2.199 0.398 1.00 1.25 H new ATOM 0 HG3 GLU A 53 18.492 -3.377 1.694 1.00 1.25 H new ATOM 807 N PHE A 54 14.562 -5.163 -0.416 1.00 22.13 N ATOM 808 CA PHE A 54 13.133 -5.174 -0.705 1.00 40.43 C ATOM 809 C PHE A 54 12.458 -6.384 -0.067 1.00 15.44 C ATOM 810 O PHE A 54 11.231 -6.494 -0.063 1.00 43.52 O ATOM 811 CB PHE A 54 12.898 -5.183 -2.217 1.00 54.12 C ATOM 812 CG PHE A 54 12.952 -3.818 -2.841 1.00 2.42 C ATOM 813 CD1 PHE A 54 11.844 -2.986 -2.818 1.00 21.03 C ATOM 814 CD2 PHE A 54 14.112 -3.366 -3.451 1.00 15.14 C ATOM 815 CE1 PHE A 54 11.891 -1.729 -3.390 1.00 41.13 C ATOM 816 CE2 PHE A 54 14.165 -2.110 -4.024 1.00 55.33 C ATOM 817 CZ PHE A 54 13.053 -1.291 -3.995 1.00 53.33 C ATOM 0 H PHE A 54 15.155 -5.402 -1.211 1.00 22.13 H new ATOM 0 HA PHE A 54 12.695 -4.271 -0.281 1.00 40.43 H new ATOM 0 HB2 PHE A 54 13.647 -5.819 -2.689 1.00 54.12 H new ATOM 0 HB3 PHE A 54 11.925 -5.629 -2.423 1.00 54.12 H new ATOM 0 HD1 PHE A 54 10.933 -3.324 -2.347 1.00 21.03 H new ATOM 0 HD2 PHE A 54 14.984 -4.003 -3.479 1.00 15.14 H new ATOM 0 HE1 PHE A 54 11.021 -1.090 -3.364 1.00 41.13 H new ATOM 0 HE2 PHE A 54 15.075 -1.769 -4.494 1.00 55.33 H new ATOM 0 HZ PHE A 54 13.092 -0.310 -4.445 1.00 53.33 H new ATOM 827 N ASP A 55 13.267 -7.289 0.472 1.00 35.03 N ATOM 828 CA ASP A 55 12.748 -8.491 1.115 1.00 64.44 C ATOM 829 C ASP A 55 11.811 -9.247 0.178 1.00 13.20 C ATOM 830 O ASP A 55 10.791 -9.789 0.606 1.00 3.03 O ATOM 831 CB ASP A 55 12.015 -8.129 2.407 1.00 24.33 C ATOM 832 CG ASP A 55 11.977 -9.281 3.393 1.00 50.50 C ATOM 833 OD1 ASP A 55 13.036 -9.901 3.621 1.00 21.13 O ATOM 834 OD2 ASP A 55 10.888 -9.561 3.935 1.00 35.55 O ATOM 0 H ASP A 55 14.284 -7.214 0.477 1.00 35.03 H new ATOM 0 HA ASP A 55 13.592 -9.138 1.355 1.00 64.44 H new ATOM 0 HB2 ASP A 55 12.504 -7.273 2.871 1.00 24.33 H new ATOM 0 HB3 ASP A 55 10.996 -7.824 2.170 1.00 24.33 H new ATOM 839 N THR A 56 12.162 -9.278 -1.104 1.00 15.20 N ATOM 840 CA THR A 56 11.351 -9.964 -2.102 1.00 32.32 C ATOM 841 C THR A 56 11.800 -11.411 -2.275 1.00 11.34 C ATOM 842 O THR A 56 12.895 -11.784 -1.856 1.00 43.33 O ATOM 843 CB THR A 56 11.417 -9.252 -3.466 1.00 15.21 C ATOM 844 OG1 THR A 56 12.759 -9.269 -3.964 1.00 21.35 O ATOM 845 CG2 THR A 56 10.932 -7.814 -3.350 1.00 21.55 C ATOM 0 H THR A 56 13.003 -8.836 -1.475 1.00 15.20 H new ATOM 0 HA THR A 56 10.323 -9.946 -1.740 1.00 32.32 H new ATOM 0 HB THR A 56 10.766 -9.784 -4.160 1.00 15.21 H new ATOM 0 HG1 THR A 56 12.791 -8.816 -4.832 1.00 21.35 H new ATOM 0 HG21 THR A 56 10.988 -7.331 -4.326 1.00 21.55 H new ATOM 0 HG22 THR A 56 9.900 -7.805 -2.999 1.00 21.55 H new ATOM 0 HG23 THR A 56 11.560 -7.274 -2.642 1.00 21.55 H new ATOM 853 N GLU A 57 10.947 -12.220 -2.894 1.00 72.51 N ATOM 854 CA GLU A 57 11.258 -13.627 -3.122 1.00 14.14 C ATOM 855 C GLU A 57 11.861 -13.833 -4.508 1.00 25.33 C ATOM 856 O GLU A 57 11.154 -14.159 -5.462 1.00 4.11 O ATOM 857 CB GLU A 57 9.998 -14.482 -2.970 1.00 13.44 C ATOM 858 CG GLU A 57 9.621 -14.759 -1.524 1.00 61.20 C ATOM 859 CD GLU A 57 8.294 -15.482 -1.395 1.00 43.12 C ATOM 860 OE1 GLU A 57 7.244 -14.822 -1.539 1.00 73.10 O ATOM 861 OE2 GLU A 57 8.306 -16.706 -1.150 1.00 62.35 O ATOM 0 H GLU A 57 10.036 -11.926 -3.247 1.00 72.51 H new ATOM 0 HA GLU A 57 11.990 -13.936 -2.376 1.00 14.14 H new ATOM 0 HB2 GLU A 57 9.166 -13.979 -3.464 1.00 13.44 H new ATOM 0 HB3 GLU A 57 10.148 -15.431 -3.486 1.00 13.44 H new ATOM 0 HG2 GLU A 57 10.403 -15.357 -1.057 1.00 61.20 H new ATOM 0 HG3 GLU A 57 9.572 -13.817 -0.978 1.00 61.20 H new ATOM 868 N ILE A 58 13.172 -13.641 -4.610 1.00 62.12 N ATOM 869 CA ILE A 58 13.871 -13.806 -5.878 1.00 62.55 C ATOM 870 C ILE A 58 14.798 -15.016 -5.841 1.00 65.54 C ATOM 871 O ILE A 58 16.015 -14.894 -5.693 1.00 55.52 O ATOM 872 CB ILE A 58 14.694 -12.554 -6.235 1.00 73.35 C ATOM 873 CG1 ILE A 58 13.792 -11.319 -6.274 1.00 53.05 C ATOM 874 CG2 ILE A 58 15.397 -12.746 -7.571 1.00 1.41 C ATOM 875 CD1 ILE A 58 12.657 -11.431 -7.268 1.00 52.53 C ATOM 0 H ILE A 58 13.771 -13.371 -3.830 1.00 62.12 H new ATOM 0 HA ILE A 58 13.108 -13.959 -6.641 1.00 62.55 H new ATOM 0 HB ILE A 58 15.452 -12.403 -5.466 1.00 73.35 H new ATOM 0 HG12 ILE A 58 13.378 -11.150 -5.280 1.00 53.05 H new ATOM 0 HG13 ILE A 58 14.396 -10.446 -6.521 1.00 53.05 H new ATOM 0 HG21 ILE A 58 15.975 -11.853 -7.810 1.00 1.41 H new ATOM 0 HG22 ILE A 58 16.065 -13.605 -7.510 1.00 1.41 H new ATOM 0 HG23 ILE A 58 14.655 -12.918 -8.351 1.00 1.41 H new ATOM 0 HD11 ILE A 58 12.059 -10.520 -7.242 1.00 52.53 H new ATOM 0 HD12 ILE A 58 13.063 -11.569 -8.270 1.00 52.53 H new ATOM 0 HD13 ILE A 58 12.030 -12.284 -7.010 1.00 52.53 H new ATOM 887 N PRO A 59 14.213 -16.215 -5.981 1.00 30.11 N ATOM 888 CA PRO A 59 14.968 -17.471 -5.969 1.00 64.31 C ATOM 889 C PRO A 59 15.833 -17.640 -7.214 1.00 10.51 C ATOM 890 O PRO A 59 15.982 -16.710 -8.008 1.00 24.43 O ATOM 891 CB PRO A 59 13.875 -18.542 -5.929 1.00 24.25 C ATOM 892 CG PRO A 59 12.683 -17.890 -6.538 1.00 51.40 C ATOM 893 CD PRO A 59 12.768 -16.436 -6.161 1.00 64.34 C ATOM 0 HA PRO A 59 15.663 -17.520 -5.131 1.00 64.31 H new ATOM 0 HB2 PRO A 59 14.170 -19.430 -6.489 1.00 24.25 H new ATOM 0 HB3 PRO A 59 13.672 -18.862 -4.907 1.00 24.25 H new ATOM 0 HG2 PRO A 59 12.682 -18.013 -7.621 1.00 51.40 H new ATOM 0 HG3 PRO A 59 11.761 -18.336 -6.165 1.00 51.40 H new ATOM 0 HD2 PRO A 59 12.357 -15.794 -6.940 1.00 64.34 H new ATOM 0 HD3 PRO A 59 12.212 -16.224 -5.248 1.00 64.34 H new ATOM 901 N ASP A 60 16.400 -18.830 -7.378 1.00 54.35 N ATOM 902 CA ASP A 60 17.248 -19.120 -8.528 1.00 64.02 C ATOM 903 C ASP A 60 16.514 -18.829 -9.833 1.00 51.22 C ATOM 904 O ASP A 60 17.039 -18.147 -10.713 1.00 23.33 O ATOM 905 CB ASP A 60 17.702 -20.581 -8.499 1.00 14.54 C ATOM 906 CG ASP A 60 18.612 -20.880 -7.324 1.00 65.34 C ATOM 907 OD1 ASP A 60 19.595 -20.135 -7.131 1.00 1.22 O ATOM 908 OD2 ASP A 60 18.343 -21.861 -6.599 1.00 61.24 O ATOM 0 H ASP A 60 16.288 -19.609 -6.729 1.00 54.35 H new ATOM 0 HA ASP A 60 18.124 -18.474 -8.473 1.00 64.02 H new ATOM 0 HB2 ASP A 60 16.827 -21.230 -8.452 1.00 14.54 H new ATOM 0 HB3 ASP A 60 18.223 -20.815 -9.427 1.00 14.54 H new ATOM 913 N GLU A 61 15.297 -19.351 -9.951 1.00 1.11 N ATOM 914 CA GLU A 61 14.492 -19.148 -11.150 1.00 1.13 C ATOM 915 C GLU A 61 14.326 -17.661 -11.448 1.00 42.41 C ATOM 916 O GLU A 61 14.789 -17.169 -12.477 1.00 14.31 O ATOM 917 CB GLU A 61 13.119 -19.803 -10.986 1.00 11.32 C ATOM 918 CG GLU A 61 13.182 -21.308 -10.790 1.00 31.11 C ATOM 919 CD GLU A 61 13.400 -22.057 -12.090 1.00 73.03 C ATOM 920 OE1 GLU A 61 12.630 -21.824 -13.046 1.00 20.54 O ATOM 921 OE2 GLU A 61 14.341 -22.876 -12.152 1.00 53.11 O ATOM 0 H GLU A 61 14.847 -19.917 -9.232 1.00 1.11 H new ATOM 0 HA GLU A 61 15.011 -19.613 -11.988 1.00 1.13 H new ATOM 0 HB2 GLU A 61 12.612 -19.355 -10.132 1.00 11.32 H new ATOM 0 HB3 GLU A 61 12.514 -19.585 -11.866 1.00 11.32 H new ATOM 0 HG2 GLU A 61 13.989 -21.547 -10.098 1.00 31.11 H new ATOM 0 HG3 GLU A 61 12.255 -21.650 -10.329 1.00 31.11 H new ATOM 928 N GLU A 62 13.662 -16.951 -10.541 1.00 24.34 N ATOM 929 CA GLU A 62 13.434 -15.521 -10.708 1.00 2.24 C ATOM 930 C GLU A 62 14.755 -14.775 -10.877 1.00 71.34 C ATOM 931 O GLU A 62 14.795 -13.682 -11.440 1.00 55.25 O ATOM 932 CB GLU A 62 12.670 -14.960 -9.506 1.00 62.03 C ATOM 933 CG GLU A 62 11.303 -15.591 -9.306 1.00 73.11 C ATOM 934 CD GLU A 62 10.560 -15.801 -10.612 1.00 24.44 C ATOM 935 OE1 GLU A 62 10.893 -16.763 -11.336 1.00 11.24 O ATOM 936 OE2 GLU A 62 9.646 -15.004 -10.909 1.00 4.33 O ATOM 0 H GLU A 62 13.273 -17.343 -9.684 1.00 24.34 H new ATOM 0 HA GLU A 62 12.837 -15.377 -11.609 1.00 2.24 H new ATOM 0 HB2 GLU A 62 13.265 -15.110 -8.605 1.00 62.03 H new ATOM 0 HB3 GLU A 62 12.549 -13.884 -9.633 1.00 62.03 H new ATOM 0 HG2 GLU A 62 11.420 -16.550 -8.801 1.00 73.11 H new ATOM 0 HG3 GLU A 62 10.706 -14.956 -8.651 1.00 73.11 H new ATOM 943 N ALA A 63 15.834 -15.376 -10.386 1.00 12.54 N ATOM 944 CA ALA A 63 17.156 -14.770 -10.484 1.00 22.33 C ATOM 945 C ALA A 63 17.735 -14.939 -11.885 1.00 14.05 C ATOM 946 O ALA A 63 18.535 -14.122 -12.337 1.00 44.22 O ATOM 947 CB ALA A 63 18.092 -15.376 -9.448 1.00 12.32 C ATOM 0 H ALA A 63 15.818 -16.281 -9.917 1.00 12.54 H new ATOM 0 HA ALA A 63 17.055 -13.703 -10.287 1.00 22.33 H new ATOM 0 HB1 ALA A 63 19.076 -14.914 -9.532 1.00 12.32 H new ATOM 0 HB2 ALA A 63 17.693 -15.199 -8.449 1.00 12.32 H new ATOM 0 HB3 ALA A 63 18.179 -16.449 -9.619 1.00 12.32 H new ATOM 953 N GLU A 64 17.324 -16.004 -12.565 1.00 72.51 N ATOM 954 CA GLU A 64 17.804 -16.280 -13.914 1.00 55.23 C ATOM 955 C GLU A 64 17.072 -15.417 -14.939 1.00 5.55 C ATOM 956 O GLU A 64 17.624 -15.072 -15.984 1.00 10.52 O ATOM 957 CB GLU A 64 17.618 -17.760 -14.253 1.00 74.34 C ATOM 958 CG GLU A 64 18.663 -18.665 -13.623 1.00 43.04 C ATOM 959 CD GLU A 64 20.014 -18.559 -14.305 1.00 54.22 C ATOM 960 OE1 GLU A 64 20.137 -17.762 -15.259 1.00 15.04 O ATOM 961 OE2 GLU A 64 20.948 -19.273 -13.884 1.00 73.24 O ATOM 0 H GLU A 64 16.660 -16.690 -12.205 1.00 72.51 H new ATOM 0 HA GLU A 64 18.866 -16.037 -13.951 1.00 55.23 H new ATOM 0 HB2 GLU A 64 16.629 -18.078 -13.924 1.00 74.34 H new ATOM 0 HB3 GLU A 64 17.649 -17.883 -15.336 1.00 74.34 H new ATOM 0 HG2 GLU A 64 18.771 -18.410 -12.569 1.00 43.04 H new ATOM 0 HG3 GLU A 64 18.318 -19.698 -13.667 1.00 43.04 H new ATOM 968 N LYS A 65 15.827 -15.071 -14.631 1.00 31.21 N ATOM 969 CA LYS A 65 15.018 -14.248 -15.522 1.00 44.13 C ATOM 970 C LYS A 65 15.295 -12.765 -15.294 1.00 65.44 C ATOM 971 O LYS A 65 15.235 -11.963 -16.226 1.00 54.23 O ATOM 972 CB LYS A 65 13.531 -14.538 -15.309 1.00 70.32 C ATOM 973 CG LYS A 65 12.959 -13.896 -14.057 1.00 63.20 C ATOM 974 CD LYS A 65 11.474 -14.182 -13.912 1.00 51.14 C ATOM 975 CE LYS A 65 10.755 -13.046 -13.201 1.00 55.14 C ATOM 976 NZ LYS A 65 9.279 -13.245 -13.190 1.00 32.12 N ATOM 0 H LYS A 65 15.356 -15.348 -13.770 1.00 31.21 H new ATOM 0 HA LYS A 65 15.287 -14.497 -16.549 1.00 44.13 H new ATOM 0 HB2 LYS A 65 12.973 -14.184 -16.176 1.00 70.32 H new ATOM 0 HB3 LYS A 65 13.384 -15.617 -15.254 1.00 70.32 H new ATOM 0 HG2 LYS A 65 13.489 -14.269 -13.181 1.00 63.20 H new ATOM 0 HG3 LYS A 65 13.121 -12.819 -14.093 1.00 63.20 H new ATOM 0 HD2 LYS A 65 11.033 -14.333 -14.898 1.00 51.14 H new ATOM 0 HD3 LYS A 65 11.333 -15.108 -13.355 1.00 51.14 H new ATOM 0 HE2 LYS A 65 11.119 -12.971 -12.176 1.00 55.14 H new ATOM 0 HE3 LYS A 65 10.991 -12.102 -13.693 1.00 55.14 H new ATOM 0 HZ1 LYS A 65 8.806 -12.329 -13.050 1.00 32.12 H new ATOM 0 HZ2 LYS A 65 8.977 -13.656 -14.097 1.00 32.12 H new ATOM 0 HZ3 LYS A 65 9.021 -13.889 -12.415 1.00 32.12 H new ATOM 990 N ILE A 66 15.601 -12.410 -14.051 1.00 50.42 N ATOM 991 CA ILE A 66 15.890 -11.024 -13.703 1.00 31.02 C ATOM 992 C ILE A 66 17.381 -10.727 -13.822 1.00 12.31 C ATOM 993 O ILE A 66 18.107 -10.727 -12.827 1.00 63.45 O ATOM 994 CB ILE A 66 15.425 -10.695 -12.272 1.00 51.50 C ATOM 995 CG1 ILE A 66 13.919 -10.928 -12.135 1.00 51.14 C ATOM 996 CG2 ILE A 66 15.778 -9.258 -11.918 1.00 50.30 C ATOM 997 CD1 ILE A 66 13.084 -9.999 -12.988 1.00 73.15 C ATOM 0 H ILE A 66 15.655 -13.062 -13.269 1.00 50.42 H new ATOM 0 HA ILE A 66 15.340 -10.400 -14.408 1.00 31.02 H new ATOM 0 HB ILE A 66 15.941 -11.358 -11.577 1.00 51.50 H new ATOM 0 HG12 ILE A 66 13.693 -11.959 -12.407 1.00 51.14 H new ATOM 0 HG13 ILE A 66 13.634 -10.804 -11.090 1.00 51.14 H new ATOM 0 HG21 ILE A 66 15.443 -9.040 -10.904 1.00 50.30 H new ATOM 0 HG22 ILE A 66 16.858 -9.123 -11.980 1.00 50.30 H new ATOM 0 HG23 ILE A 66 15.286 -8.580 -12.616 1.00 50.30 H new ATOM 0 HD11 ILE A 66 12.027 -10.221 -12.840 1.00 73.15 H new ATOM 0 HD12 ILE A 66 13.281 -8.966 -12.701 1.00 73.15 H new ATOM 0 HD13 ILE A 66 13.341 -10.139 -14.038 1.00 73.15 H new ATOM 1009 N THR A 67 17.832 -10.471 -15.046 1.00 52.41 N ATOM 1010 CA THR A 67 19.236 -10.171 -15.296 1.00 51.41 C ATOM 1011 C THR A 67 19.395 -8.826 -15.997 1.00 35.13 C ATOM 1012 O THR A 67 20.470 -8.499 -16.500 1.00 73.14 O ATOM 1013 CB THR A 67 19.900 -11.265 -16.153 1.00 2.30 C ATOM 1014 OG1 THR A 67 21.289 -10.967 -16.338 1.00 14.24 O ATOM 1015 CG2 THR A 67 19.217 -11.381 -17.507 1.00 52.01 C ATOM 0 H THR A 67 17.245 -10.465 -15.880 1.00 52.41 H new ATOM 0 HA THR A 67 19.728 -10.132 -14.324 1.00 51.41 H new ATOM 0 HB THR A 67 19.799 -12.216 -15.630 1.00 2.30 H new ATOM 0 HG1 THR A 67 21.388 -10.035 -16.624 1.00 14.24 H new ATOM 0 HG21 THR A 67 19.703 -12.160 -18.094 1.00 52.01 H new ATOM 0 HG22 THR A 67 18.167 -11.637 -17.364 1.00 52.01 H new ATOM 0 HG23 THR A 67 19.290 -10.430 -18.034 1.00 52.01 H new ATOM 1023 N THR A 68 18.317 -8.048 -16.025 1.00 51.03 N ATOM 1024 CA THR A 68 18.336 -6.738 -16.665 1.00 25.53 C ATOM 1025 C THR A 68 17.655 -5.690 -15.793 1.00 32.54 C ATOM 1026 O THR A 68 16.806 -6.016 -14.962 1.00 43.11 O ATOM 1027 CB THR A 68 17.644 -6.774 -18.040 1.00 70.52 C ATOM 1028 OG1 THR A 68 16.225 -6.865 -17.872 1.00 31.00 O ATOM 1029 CG2 THR A 68 18.138 -7.954 -18.864 1.00 44.22 C ATOM 0 H THR A 68 17.420 -8.302 -15.612 1.00 51.03 H new ATOM 0 HA THR A 68 19.383 -6.468 -16.801 1.00 25.53 H new ATOM 0 HB THR A 68 17.889 -5.853 -18.569 1.00 70.52 H new ATOM 0 HG1 THR A 68 15.792 -6.121 -18.341 1.00 31.00 H new ATOM 0 HG21 THR A 68 17.635 -7.959 -19.831 1.00 44.22 H new ATOM 0 HG22 THR A 68 19.214 -7.867 -19.015 1.00 44.22 H new ATOM 0 HG23 THR A 68 17.919 -8.883 -18.337 1.00 44.22 H new ATOM 1037 N VAL A 69 18.031 -4.430 -15.987 1.00 34.33 N ATOM 1038 CA VAL A 69 17.454 -3.334 -15.219 1.00 13.54 C ATOM 1039 C VAL A 69 15.932 -3.339 -15.310 1.00 71.40 C ATOM 1040 O VAL A 69 15.241 -3.467 -14.300 1.00 13.11 O ATOM 1041 CB VAL A 69 17.981 -1.970 -15.704 1.00 31.10 C ATOM 1042 CG1 VAL A 69 17.360 -0.840 -14.898 1.00 12.50 C ATOM 1043 CG2 VAL A 69 19.499 -1.925 -15.618 1.00 61.45 C ATOM 0 H VAL A 69 18.733 -4.143 -16.670 1.00 34.33 H new ATOM 0 HA VAL A 69 17.753 -3.484 -14.182 1.00 13.54 H new ATOM 0 HB VAL A 69 17.694 -1.840 -16.748 1.00 31.10 H new ATOM 0 HG11 VAL A 69 17.744 0.115 -15.255 1.00 12.50 H new ATOM 0 HG12 VAL A 69 16.277 -0.862 -15.015 1.00 12.50 H new ATOM 0 HG13 VAL A 69 17.613 -0.962 -13.845 1.00 12.50 H new ATOM 0 HG21 VAL A 69 19.854 -0.955 -15.964 1.00 61.45 H new ATOM 0 HG22 VAL A 69 19.810 -2.077 -14.584 1.00 61.45 H new ATOM 0 HG23 VAL A 69 19.922 -2.711 -16.244 1.00 61.45 H new ATOM 1053 N GLN A 70 15.417 -3.201 -16.528 1.00 22.04 N ATOM 1054 CA GLN A 70 13.976 -3.190 -16.751 1.00 23.34 C ATOM 1055 C GLN A 70 13.314 -4.395 -16.090 1.00 2.00 C ATOM 1056 O GLN A 70 12.240 -4.279 -15.500 1.00 64.41 O ATOM 1057 CB GLN A 70 13.671 -3.184 -18.249 1.00 51.34 C ATOM 1058 CG GLN A 70 12.185 -3.151 -18.567 1.00 52.44 C ATOM 1059 CD GLN A 70 11.577 -1.775 -18.373 1.00 71.41 C ATOM 1060 OE1 GLN A 70 11.309 -1.060 -19.339 1.00 72.41 O ATOM 1061 NE2 GLN A 70 11.356 -1.397 -17.120 1.00 33.45 N ATOM 0 H GLN A 70 15.976 -3.095 -17.375 1.00 22.04 H new ATOM 0 HA GLN A 70 13.571 -2.284 -16.301 1.00 23.34 H new ATOM 0 HB2 GLN A 70 14.151 -2.319 -18.706 1.00 51.34 H new ATOM 0 HB3 GLN A 70 14.112 -4.071 -18.705 1.00 51.34 H new ATOM 0 HG2 GLN A 70 12.031 -3.470 -19.598 1.00 52.44 H new ATOM 0 HG3 GLN A 70 11.665 -3.867 -17.930 1.00 52.44 H new ATOM 0 HE21 GLN A 70 11.593 -2.022 -16.349 1.00 33.45 H new ATOM 0 HE22 GLN A 70 10.949 -0.482 -16.928 1.00 33.45 H new ATOM 1070 N ALA A 71 13.962 -5.551 -16.194 1.00 0.23 N ATOM 1071 CA ALA A 71 13.437 -6.776 -15.605 1.00 32.40 C ATOM 1072 C ALA A 71 13.372 -6.671 -14.085 1.00 74.21 C ATOM 1073 O ALA A 71 12.361 -7.016 -13.472 1.00 45.35 O ATOM 1074 CB ALA A 71 14.289 -7.967 -16.018 1.00 20.45 C ATOM 0 H ALA A 71 14.851 -5.664 -16.681 1.00 0.23 H new ATOM 0 HA ALA A 71 12.423 -6.923 -15.976 1.00 32.40 H new ATOM 0 HB1 ALA A 71 13.885 -8.876 -15.571 1.00 20.45 H new ATOM 0 HB2 ALA A 71 14.280 -8.062 -17.104 1.00 20.45 H new ATOM 0 HB3 ALA A 71 15.313 -7.818 -15.676 1.00 20.45 H new ATOM 1080 N ALA A 72 14.456 -6.194 -13.483 1.00 13.14 N ATOM 1081 CA ALA A 72 14.521 -6.042 -12.034 1.00 74.43 C ATOM 1082 C ALA A 72 13.515 -5.006 -11.545 1.00 40.42 C ATOM 1083 O ALA A 72 12.672 -5.297 -10.696 1.00 25.12 O ATOM 1084 CB ALA A 72 15.929 -5.657 -11.606 1.00 60.45 C ATOM 0 H ALA A 72 15.301 -5.906 -13.976 1.00 13.14 H new ATOM 0 HA ALA A 72 14.265 -7.000 -11.581 1.00 74.43 H new ATOM 0 HB1 ALA A 72 15.963 -5.547 -10.522 1.00 60.45 H new ATOM 0 HB2 ALA A 72 16.628 -6.435 -11.914 1.00 60.45 H new ATOM 0 HB3 ALA A 72 16.207 -4.713 -12.075 1.00 60.45 H new ATOM 1090 N ILE A 73 13.610 -3.796 -12.086 1.00 13.53 N ATOM 1091 CA ILE A 73 12.708 -2.716 -11.704 1.00 34.22 C ATOM 1092 C ILE A 73 11.250 -3.129 -11.880 1.00 64.35 C ATOM 1093 O ILE A 73 10.377 -2.703 -11.124 1.00 45.44 O ATOM 1094 CB ILE A 73 12.972 -1.443 -12.529 1.00 2.12 C ATOM 1095 CG1 ILE A 73 12.189 -0.262 -11.950 1.00 65.34 C ATOM 1096 CG2 ILE A 73 12.599 -1.669 -13.986 1.00 65.34 C ATOM 1097 CD1 ILE A 73 12.871 0.395 -10.771 1.00 22.33 C ATOM 0 H ILE A 73 14.302 -3.539 -12.790 1.00 13.53 H new ATOM 0 HA ILE A 73 12.899 -2.503 -10.652 1.00 34.22 H new ATOM 0 HB ILE A 73 14.036 -1.209 -12.479 1.00 2.12 H new ATOM 0 HG12 ILE A 73 12.038 0.482 -12.732 1.00 65.34 H new ATOM 0 HG13 ILE A 73 11.202 -0.607 -11.642 1.00 65.34 H new ATOM 0 HG21 ILE A 73 12.791 -0.760 -14.556 1.00 65.34 H new ATOM 0 HG22 ILE A 73 13.196 -2.485 -14.392 1.00 65.34 H new ATOM 0 HG23 ILE A 73 11.542 -1.924 -14.056 1.00 65.34 H new ATOM 0 HD11 ILE A 73 12.260 1.223 -10.412 1.00 22.33 H new ATOM 0 HD12 ILE A 73 12.998 -0.335 -9.971 1.00 22.33 H new ATOM 0 HD13 ILE A 73 13.847 0.771 -11.078 1.00 22.33 H new ATOM 1109 N ASP A 74 10.995 -3.963 -12.882 1.00 60.25 N ATOM 1110 CA ASP A 74 9.644 -4.437 -13.157 1.00 74.23 C ATOM 1111 C ASP A 74 9.166 -5.384 -12.061 1.00 24.24 C ATOM 1112 O ASP A 74 8.053 -5.251 -11.553 1.00 34.21 O ATOM 1113 CB ASP A 74 9.593 -5.141 -14.514 1.00 62.50 C ATOM 1114 CG ASP A 74 8.188 -5.565 -14.895 1.00 1.41 C ATOM 1115 OD1 ASP A 74 7.237 -4.822 -14.573 1.00 33.23 O ATOM 1116 OD2 ASP A 74 8.040 -6.638 -15.516 1.00 11.41 O ATOM 0 H ASP A 74 11.706 -4.325 -13.517 1.00 60.25 H new ATOM 0 HA ASP A 74 8.981 -3.572 -13.180 1.00 74.23 H new ATOM 0 HB2 ASP A 74 9.989 -4.475 -15.281 1.00 62.50 H new ATOM 0 HB3 ASP A 74 10.240 -6.018 -14.489 1.00 62.50 H new ATOM 1121 N TYR A 75 10.016 -6.340 -11.701 1.00 75.30 N ATOM 1122 CA TYR A 75 9.679 -7.312 -10.667 1.00 43.12 C ATOM 1123 C TYR A 75 9.338 -6.614 -9.354 1.00 62.30 C ATOM 1124 O TYR A 75 8.224 -6.734 -8.845 1.00 13.11 O ATOM 1125 CB TYR A 75 10.841 -8.284 -10.454 1.00 71.14 C ATOM 1126 CG TYR A 75 10.443 -9.555 -9.738 1.00 64.02 C ATOM 1127 CD1 TYR A 75 9.963 -9.520 -8.435 1.00 2.12 C ATOM 1128 CD2 TYR A 75 10.549 -10.791 -10.364 1.00 51.23 C ATOM 1129 CE1 TYR A 75 9.599 -10.678 -7.776 1.00 65.51 C ATOM 1130 CE2 TYR A 75 10.186 -11.954 -9.714 1.00 21.31 C ATOM 1131 CZ TYR A 75 9.712 -11.893 -8.420 1.00 22.00 C ATOM 1132 OH TYR A 75 9.351 -13.050 -7.768 1.00 41.11 O ATOM 0 H TYR A 75 10.943 -6.463 -12.110 1.00 75.30 H new ATOM 0 HA TYR A 75 8.803 -7.870 -10.999 1.00 43.12 H new ATOM 0 HB2 TYR A 75 11.271 -8.541 -11.422 1.00 71.14 H new ATOM 0 HB3 TYR A 75 11.622 -7.784 -9.882 1.00 71.14 H new ATOM 0 HD1 TYR A 75 9.873 -8.571 -7.928 1.00 2.12 H new ATOM 0 HD2 TYR A 75 10.922 -10.843 -11.376 1.00 51.23 H new ATOM 0 HE1 TYR A 75 9.228 -10.633 -6.763 1.00 65.51 H new ATOM 0 HE2 TYR A 75 10.273 -12.906 -10.216 1.00 21.31 H new ATOM 0 HH TYR A 75 10.025 -13.268 -7.091 1.00 41.11 H new ATOM 1142 N VAL A 76 10.307 -5.884 -8.811 1.00 12.15 N ATOM 1143 CA VAL A 76 10.111 -5.165 -7.558 1.00 14.54 C ATOM 1144 C VAL A 76 8.875 -4.274 -7.623 1.00 32.21 C ATOM 1145 O VAL A 76 8.008 -4.334 -6.752 1.00 50.41 O ATOM 1146 CB VAL A 76 11.336 -4.299 -7.210 1.00 10.43 C ATOM 1147 CG1 VAL A 76 11.105 -3.544 -5.910 1.00 12.24 C ATOM 1148 CG2 VAL A 76 12.588 -5.159 -7.121 1.00 53.43 C ATOM 0 H VAL A 76 11.235 -5.775 -9.219 1.00 12.15 H new ATOM 0 HA VAL A 76 9.974 -5.916 -6.780 1.00 14.54 H new ATOM 0 HB VAL A 76 11.480 -3.568 -8.006 1.00 10.43 H new ATOM 0 HG11 VAL A 76 11.981 -2.938 -5.681 1.00 12.24 H new ATOM 0 HG12 VAL A 76 10.234 -2.897 -6.015 1.00 12.24 H new ATOM 0 HG13 VAL A 76 10.934 -4.255 -5.102 1.00 12.24 H new ATOM 0 HG21 VAL A 76 13.444 -4.531 -6.874 1.00 53.43 H new ATOM 0 HG22 VAL A 76 12.456 -5.914 -6.346 1.00 53.43 H new ATOM 0 HG23 VAL A 76 12.762 -5.649 -8.079 1.00 53.43 H new ATOM 1158 N ASN A 77 8.801 -3.449 -8.662 1.00 40.02 N ATOM 1159 CA ASN A 77 7.671 -2.545 -8.842 1.00 34.13 C ATOM 1160 C ASN A 77 6.356 -3.318 -8.875 1.00 72.41 C ATOM 1161 O ASN A 77 5.318 -2.818 -8.442 1.00 2.32 O ATOM 1162 CB ASN A 77 7.835 -1.740 -10.132 1.00 54.04 C ATOM 1163 CG ASN A 77 6.676 -0.791 -10.373 1.00 24.10 C ATOM 1164 OD1 ASN A 77 5.587 -1.210 -10.763 1.00 73.42 O ATOM 1165 ND2 ASN A 77 6.908 0.496 -10.141 1.00 20.22 N ATOM 0 H ASN A 77 9.510 -3.388 -9.392 1.00 40.02 H new ATOM 0 HA ASN A 77 7.648 -1.859 -7.995 1.00 34.13 H new ATOM 0 HB2 ASN A 77 8.764 -1.171 -10.086 1.00 54.04 H new ATOM 0 HB3 ASN A 77 7.922 -2.425 -10.976 1.00 54.04 H new ATOM 0 HD21 ASN A 77 6.167 1.182 -10.286 1.00 20.22 H new ATOM 0 HD22 ASN A 77 7.827 0.798 -9.818 1.00 20.22 H new ATOM 1172 N SER A 78 6.408 -4.542 -9.392 1.00 41.21 N ATOM 1173 CA SER A 78 5.221 -5.384 -9.485 1.00 41.42 C ATOM 1174 C SER A 78 4.924 -6.054 -8.147 1.00 63.03 C ATOM 1175 O SER A 78 3.777 -6.386 -7.847 1.00 60.11 O ATOM 1176 CB SER A 78 5.407 -6.446 -10.571 1.00 1.34 C ATOM 1177 OG SER A 78 4.306 -7.337 -10.606 1.00 23.44 O ATOM 0 H SER A 78 7.260 -4.972 -9.753 1.00 41.21 H new ATOM 0 HA SER A 78 4.375 -4.749 -9.749 1.00 41.42 H new ATOM 0 HB2 SER A 78 5.519 -5.963 -11.542 1.00 1.34 H new ATOM 0 HB3 SER A 78 6.325 -7.004 -10.385 1.00 1.34 H new ATOM 0 HG SER A 78 4.448 -8.005 -11.309 1.00 23.44 H new ATOM 1183 N HIS A 79 5.967 -6.250 -7.347 1.00 20.34 N ATOM 1184 CA HIS A 79 5.819 -6.881 -6.040 1.00 4.34 C ATOM 1185 C HIS A 79 5.883 -5.841 -4.925 1.00 33.03 C ATOM 1186 O HIS A 79 6.796 -5.857 -4.100 1.00 62.43 O ATOM 1187 CB HIS A 79 6.907 -7.935 -5.832 1.00 44.44 C ATOM 1188 CG HIS A 79 6.730 -9.154 -6.683 1.00 74.41 C ATOM 1189 ND1 HIS A 79 6.649 -9.107 -8.059 1.00 30.22 N ATOM 1190 CD2 HIS A 79 6.618 -10.461 -6.346 1.00 4.52 C ATOM 1191 CE1 HIS A 79 6.494 -10.331 -8.531 1.00 22.32 C ATOM 1192 NE2 HIS A 79 6.473 -11.171 -7.512 1.00 31.33 N ATOM 0 H HIS A 79 6.923 -5.981 -7.580 1.00 20.34 H new ATOM 0 HA HIS A 79 4.843 -7.366 -6.007 1.00 4.34 H new ATOM 0 HB2 HIS A 79 7.878 -7.490 -6.047 1.00 44.44 H new ATOM 0 HB3 HIS A 79 6.918 -8.232 -4.783 1.00 44.44 H new ATOM 0 HD1 HIS A 79 6.701 -8.259 -8.624 1.00 30.22 H new ATOM 0 HD2 HIS A 79 6.639 -10.869 -5.346 1.00 4.52 H new ATOM 0 HE1 HIS A 79 6.400 -10.599 -9.573 1.00 22.32 H new ATOM 1200 N GLN A 80 4.907 -4.939 -4.907 1.00 50.34 N ATOM 1201 CA GLN A 80 4.854 -3.891 -3.895 1.00 32.14 C ATOM 1202 C GLN A 80 4.322 -4.438 -2.574 1.00 4.44 C ATOM 1203 O GLN A 80 3.472 -5.328 -2.555 1.00 53.01 O ATOM 1204 CB GLN A 80 3.974 -2.735 -4.372 1.00 40.45 C ATOM 1205 CG GLN A 80 4.314 -2.250 -5.773 1.00 34.32 C ATOM 1206 CD GLN A 80 4.012 -0.778 -5.970 1.00 51.22 C ATOM 1207 OE1 GLN A 80 3.189 -0.200 -5.259 1.00 62.11 O ATOM 1208 NE2 GLN A 80 4.678 -0.162 -6.940 1.00 1.54 N ATOM 0 H GLN A 80 4.142 -4.913 -5.582 1.00 50.34 H new ATOM 0 HA GLN A 80 5.868 -3.524 -3.735 1.00 32.14 H new ATOM 0 HB2 GLN A 80 2.931 -3.050 -4.349 1.00 40.45 H new ATOM 0 HB3 GLN A 80 4.072 -1.903 -3.675 1.00 40.45 H new ATOM 0 HG2 GLN A 80 5.371 -2.430 -5.969 1.00 34.32 H new ATOM 0 HG3 GLN A 80 3.751 -2.833 -6.502 1.00 34.32 H new ATOM 0 HE21 GLN A 80 5.351 -0.680 -7.505 1.00 1.54 H new ATOM 0 HE22 GLN A 80 4.516 0.829 -7.120 1.00 1.54 H new