USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 798 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 74 THR OG1 : rot -51:sc= 0.738 USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 26 ASN : amide:sc= -2.3! C(o=-1.6!,f=-4.7!) USER MOD Set 2.2: A 84 ASN : amide:sc= 0.687 K(o=-1.6,f=-5) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.0514 K(o=0.051,f=-3.7!) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= 1.08 (180deg=0.325) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -55:sc= 0.494 USER MOD Single : A 34 LYS NZ :NH3+ -144:sc= 0.761 (180deg=-0.697) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 46 ASN : amide:sc= -1.03 K(o=-1,f=-0.46) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.0073) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.0923 K(o=-0.092,f=-2.2!) USER MOD Single : A 59 THR OG1 : rot 170:sc= 0 USER MOD Single : A 66 THR OG1 : rot -50:sc= 1.22 USER MOD Single : A 67 ASN : amide:sc= 0.521 K(o=0.52,f=-4.9!) USER MOD Single : A 70 ASN : amide:sc= 0.3 K(o=0.3,f=-7.6!) USER MOD Single : A 79 GLN : amide:sc= -0.0506 K(o=-0.051,f=-0.67) USER MOD Single : A 93 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 94 HIS : no HE2:sc= 0.259 K(o=0.26,f=-3.3!) USER MOD Single : A 95 HIS : no HD1:sc=-0.000645 X(o=-0.00064,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HE2:sc= -0.0147 K(o=-0.015,f=-0.85) USER MOD Single : A 98 HIS : no HD1:sc= -0.606 K(o=-0.61,f=-1.3) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.802 41.151 -33.952 1.00 14.11 N ATOM 2 CA GLY A 1 -12.345 40.090 -33.010 1.00 52.42 C ATOM 3 C GLY A 1 -12.180 40.600 -31.582 1.00 72.14 C ATOM 4 O GLY A 1 -13.160 40.680 -30.845 1.00 31.22 O ATOM 0 H1 GLY A 1 -12.897 40.750 -34.907 1.00 14.11 H new ATOM 0 H2 GLY A 1 -13.722 41.521 -33.638 1.00 14.11 H new ATOM 0 H3 GLY A 1 -12.106 41.923 -33.969 1.00 14.11 H new ATOM 0 HA2 GLY A 1 -13.063 39.270 -33.018 1.00 52.42 H new ATOM 0 HA3 GLY A 1 -11.395 39.685 -33.359 1.00 52.42 H new ATOM 10 N ASP A 2 -10.936 40.959 -31.219 1.00 42.22 N ATOM 11 CA ASP A 2 -10.554 41.464 -29.877 1.00 4.02 C ATOM 12 C ASP A 2 -11.177 40.688 -28.685 1.00 52.43 C ATOM 13 O ASP A 2 -10.451 40.031 -27.934 1.00 73.21 O ATOM 14 CB ASP A 2 -10.789 42.986 -29.750 1.00 54.23 C ATOM 15 CG ASP A 2 -12.222 43.432 -29.998 1.00 62.21 C ATOM 16 OD1 ASP A 2 -12.586 43.663 -31.168 1.00 15.15 O ATOM 17 OD2 ASP A 2 -12.984 43.574 -29.022 1.00 42.41 O ATOM 0 H ASP A 2 -10.146 40.907 -31.862 1.00 42.22 H new ATOM 0 HA ASP A 2 -9.483 41.273 -29.805 1.00 4.02 H new ATOM 0 HB2 ASP A 2 -10.492 43.303 -28.750 1.00 54.23 H new ATOM 0 HB3 ASP A 2 -10.136 43.501 -30.455 1.00 54.23 H new ATOM 22 N ARG A 3 -12.495 40.780 -28.494 1.00 63.34 N ATOM 23 CA ARG A 3 -13.180 40.091 -27.384 1.00 51.45 C ATOM 24 C ARG A 3 -12.943 38.568 -27.400 1.00 2.34 C ATOM 25 O ARG A 3 -13.667 37.822 -28.060 1.00 5.10 O ATOM 26 CB ARG A 3 -14.691 40.370 -27.428 1.00 31.14 C ATOM 27 CG ARG A 3 -15.044 41.851 -27.486 1.00 22.22 C ATOM 28 CD ARG A 3 -14.506 42.622 -26.281 1.00 1.33 C ATOM 29 NE ARG A 3 -14.542 44.065 -26.504 1.00 32.02 N ATOM 30 CZ ARG A 3 -15.001 44.936 -25.646 1.00 34.52 C ATOM 31 NH1 ARG A 3 -15.495 44.556 -24.510 1.00 71.24 N ATOM 32 NH2 ARG A 3 -14.978 46.196 -25.934 1.00 12.33 N ATOM 0 H ARG A 3 -13.116 41.325 -29.092 1.00 63.34 H new ATOM 0 HA ARG A 3 -12.755 40.487 -26.462 1.00 51.45 H new ATOM 0 HB2 ARG A 3 -15.118 39.871 -28.298 1.00 31.14 H new ATOM 0 HB3 ARG A 3 -15.158 39.930 -26.547 1.00 31.14 H new ATOM 0 HG2 ARG A 3 -14.640 42.283 -28.401 1.00 22.22 H new ATOM 0 HG3 ARG A 3 -16.127 41.963 -27.532 1.00 22.22 H new ATOM 0 HD2 ARG A 3 -15.096 42.375 -25.398 1.00 1.33 H new ATOM 0 HD3 ARG A 3 -13.481 42.311 -26.077 1.00 1.33 H new ATOM 0 HE ARG A 3 -14.184 44.417 -27.392 1.00 32.02 H new ATOM 0 HH11 ARG A 3 -15.529 43.564 -24.275 1.00 71.24 H new ATOM 0 HH12 ARG A 3 -15.849 45.249 -23.851 1.00 71.24 H new ATOM 0 HH21 ARG A 3 -14.602 46.508 -26.829 1.00 12.33 H new ATOM 0 HH22 ARG A 3 -15.336 46.878 -25.266 1.00 12.33 H new ATOM 46 N ARG A 4 -11.924 38.118 -26.676 1.00 13.34 N ATOM 47 CA ARG A 4 -11.629 36.686 -26.545 1.00 50.11 C ATOM 48 C ARG A 4 -12.106 36.146 -25.186 1.00 20.42 C ATOM 49 O ARG A 4 -11.710 36.649 -24.134 1.00 43.23 O ATOM 50 CB ARG A 4 -10.124 36.441 -26.724 1.00 65.25 C ATOM 51 CG ARG A 4 -9.613 36.764 -28.126 1.00 42.33 C ATOM 52 CD ARG A 4 -8.110 36.535 -28.248 1.00 31.11 C ATOM 53 NE ARG A 4 -7.339 37.483 -27.442 1.00 3.30 N ATOM 54 CZ ARG A 4 -6.535 37.145 -26.470 1.00 20.13 C ATOM 55 NH1 ARG A 4 -6.414 35.910 -26.105 1.00 71.35 N ATOM 56 NH2 ARG A 4 -5.860 38.053 -25.852 1.00 63.22 N ATOM 0 H ARG A 4 -11.282 38.724 -26.166 1.00 13.34 H new ATOM 0 HA ARG A 4 -12.169 36.151 -27.326 1.00 50.11 H new ATOM 0 HB2 ARG A 4 -9.578 37.045 -26.000 1.00 65.25 H new ATOM 0 HB3 ARG A 4 -9.905 35.397 -26.498 1.00 65.25 H new ATOM 0 HG2 ARG A 4 -10.135 36.144 -28.855 1.00 42.33 H new ATOM 0 HG3 ARG A 4 -9.843 37.802 -28.367 1.00 42.33 H new ATOM 0 HD2 ARG A 4 -7.873 35.518 -27.936 1.00 31.11 H new ATOM 0 HD3 ARG A 4 -7.814 36.625 -29.293 1.00 31.11 H new ATOM 0 HE ARG A 4 -7.436 38.476 -27.654 1.00 3.30 H new ATOM 0 HH11 ARG A 4 -6.951 35.183 -26.578 1.00 71.35 H new ATOM 0 HH12 ARG A 4 -5.782 35.663 -25.344 1.00 71.35 H new ATOM 0 HH21 ARG A 4 -5.955 39.032 -26.123 1.00 63.22 H new ATOM 0 HH22 ARG A 4 -5.231 37.793 -25.092 1.00 63.22 H new ATOM 70 N VAL A 5 -12.958 35.121 -25.218 1.00 75.10 N ATOM 71 CA VAL A 5 -13.553 34.558 -23.996 1.00 25.04 C ATOM 72 C VAL A 5 -12.826 33.276 -23.532 1.00 71.33 C ATOM 73 O VAL A 5 -11.828 32.861 -24.126 1.00 31.24 O ATOM 74 CB VAL A 5 -15.063 34.255 -24.199 1.00 73.34 C ATOM 75 CG1 VAL A 5 -15.833 35.538 -24.514 1.00 64.04 C ATOM 76 CG2 VAL A 5 -15.268 33.211 -25.296 1.00 11.02 C ATOM 0 H VAL A 5 -13.255 34.659 -26.078 1.00 75.10 H new ATOM 0 HA VAL A 5 -13.439 35.313 -23.218 1.00 25.04 H new ATOM 0 HB VAL A 5 -15.455 33.843 -23.269 1.00 73.34 H new ATOM 0 HG11 VAL A 5 -16.889 35.304 -24.653 1.00 64.04 H new ATOM 0 HG12 VAL A 5 -15.722 36.241 -23.688 1.00 64.04 H new ATOM 0 HG13 VAL A 5 -15.438 35.985 -25.426 1.00 64.04 H new ATOM 0 HG21 VAL A 5 -16.333 33.016 -25.419 1.00 11.02 H new ATOM 0 HG22 VAL A 5 -14.857 33.584 -26.234 1.00 11.02 H new ATOM 0 HG23 VAL A 5 -14.760 32.287 -25.019 1.00 11.02 H new ATOM 86 N ARG A 6 -13.340 32.662 -22.464 1.00 1.00 N ATOM 87 CA ARG A 6 -12.728 31.461 -21.869 1.00 61.21 C ATOM 88 C ARG A 6 -12.950 30.188 -22.714 1.00 43.53 C ATOM 89 O ARG A 6 -12.045 29.363 -22.834 1.00 75.03 O ATOM 90 CB ARG A 6 -13.268 31.258 -20.445 1.00 31.13 C ATOM 91 CG ARG A 6 -12.714 32.260 -19.431 1.00 23.24 C ATOM 92 CD ARG A 6 -13.417 32.162 -18.079 1.00 74.54 C ATOM 93 NE ARG A 6 -14.689 32.888 -18.061 1.00 75.51 N ATOM 94 CZ ARG A 6 -15.784 32.455 -17.496 1.00 33.12 C ATOM 95 NH1 ARG A 6 -15.857 31.255 -17.022 1.00 64.13 N ATOM 96 NH2 ARG A 6 -16.821 33.221 -17.431 1.00 24.52 N ATOM 0 H ARG A 6 -14.185 32.976 -21.987 1.00 1.00 H new ATOM 0 HA ARG A 6 -11.651 31.628 -21.840 1.00 61.21 H new ATOM 0 HB2 ARG A 6 -14.355 31.336 -20.463 1.00 31.13 H new ATOM 0 HB3 ARG A 6 -13.026 30.248 -20.114 1.00 31.13 H new ATOM 0 HG2 ARG A 6 -11.646 32.086 -19.297 1.00 23.24 H new ATOM 0 HG3 ARG A 6 -12.825 33.271 -19.824 1.00 23.24 H new ATOM 0 HD2 ARG A 6 -13.596 31.114 -17.840 1.00 74.54 H new ATOM 0 HD3 ARG A 6 -12.763 32.559 -17.302 1.00 74.54 H new ATOM 0 HE ARG A 6 -14.722 33.797 -18.523 1.00 75.51 H new ATOM 0 HH11 ARG A 6 -15.052 30.631 -17.086 1.00 64.13 H new ATOM 0 HH12 ARG A 6 -16.719 30.931 -16.584 1.00 64.13 H new ATOM 0 HH21 ARG A 6 -16.784 34.163 -17.821 1.00 24.52 H new ATOM 0 HH22 ARG A 6 -17.677 32.884 -16.990 1.00 24.52 H new ATOM 110 N LEU A 7 -14.162 30.012 -23.255 1.00 32.23 N ATOM 111 CA LEU A 7 -14.483 28.878 -24.158 1.00 62.43 C ATOM 112 C LEU A 7 -14.581 27.511 -23.434 1.00 33.33 C ATOM 113 O LEU A 7 -15.272 26.607 -23.908 1.00 74.41 O ATOM 114 CB LEU A 7 -13.449 28.777 -25.296 1.00 64.23 C ATOM 115 CG LEU A 7 -13.358 29.997 -26.228 1.00 43.43 C ATOM 116 CD1 LEU A 7 -12.166 29.863 -27.174 1.00 51.34 C ATOM 117 CD2 LEU A 7 -14.650 30.164 -27.022 1.00 71.00 C ATOM 0 H LEU A 7 -14.948 30.640 -23.087 1.00 32.23 H new ATOM 0 HA LEU A 7 -15.471 29.098 -24.562 1.00 62.43 H new ATOM 0 HB2 LEU A 7 -12.467 28.606 -24.855 1.00 64.23 H new ATOM 0 HB3 LEU A 7 -13.685 27.900 -25.899 1.00 64.23 H new ATOM 0 HG LEU A 7 -13.213 30.885 -25.613 1.00 43.43 H new ATOM 0 HD11 LEU A 7 -12.119 30.736 -27.825 1.00 51.34 H new ATOM 0 HD12 LEU A 7 -11.246 29.793 -26.593 1.00 51.34 H new ATOM 0 HD13 LEU A 7 -12.281 28.964 -27.780 1.00 51.34 H new ATOM 0 HD21 LEU A 7 -14.566 31.032 -27.675 1.00 71.00 H new ATOM 0 HD22 LEU A 7 -14.825 29.272 -27.624 1.00 71.00 H new ATOM 0 HD23 LEU A 7 -15.484 30.307 -26.334 1.00 71.00 H new ATOM 129 N ILE A 8 -13.870 27.356 -22.315 1.00 40.03 N ATOM 130 CA ILE A 8 -13.849 26.095 -21.550 1.00 2.15 C ATOM 131 C ILE A 8 -15.266 25.568 -21.217 1.00 33.01 C ATOM 132 O ILE A 8 -16.074 26.250 -20.582 1.00 61.55 O ATOM 133 CB ILE A 8 -13.030 26.269 -20.239 1.00 11.51 C ATOM 134 CG1 ILE A 8 -13.082 24.997 -19.371 1.00 63.00 C ATOM 135 CG2 ILE A 8 -13.525 27.479 -19.451 1.00 62.10 C ATOM 136 CD1 ILE A 8 -12.424 23.790 -20.007 1.00 32.54 C ATOM 0 H ILE A 8 -13.293 28.094 -21.910 1.00 40.03 H new ATOM 0 HA ILE A 8 -13.371 25.353 -22.189 1.00 2.15 H new ATOM 0 HB ILE A 8 -11.990 26.439 -20.517 1.00 11.51 H new ATOM 0 HG12 ILE A 8 -12.598 25.201 -18.416 1.00 63.00 H new ATOM 0 HG13 ILE A 8 -14.124 24.759 -19.156 1.00 63.00 H new ATOM 0 HG21 ILE A 8 -12.939 27.583 -18.538 1.00 62.10 H new ATOM 0 HG22 ILE A 8 -13.415 28.378 -20.057 1.00 62.10 H new ATOM 0 HG23 ILE A 8 -14.575 27.341 -19.194 1.00 62.10 H new ATOM 0 HD11 ILE A 8 -12.503 22.936 -19.334 1.00 32.54 H new ATOM 0 HD12 ILE A 8 -12.922 23.558 -20.948 1.00 32.54 H new ATOM 0 HD13 ILE A 8 -11.373 24.007 -20.197 1.00 32.54 H new ATOM 148 N ARG A 9 -15.551 24.339 -21.653 1.00 74.24 N ATOM 149 CA ARG A 9 -16.847 23.696 -21.397 1.00 72.01 C ATOM 150 C ARG A 9 -16.765 22.697 -20.232 1.00 70.04 C ATOM 151 O ARG A 9 -17.272 22.951 -19.137 1.00 54.25 O ATOM 152 CB ARG A 9 -17.332 22.954 -22.653 1.00 11.23 C ATOM 153 CG ARG A 9 -17.553 23.841 -23.872 1.00 33.42 C ATOM 154 CD ARG A 9 -17.889 23.010 -25.108 1.00 41.10 C ATOM 155 NE ARG A 9 -18.250 23.841 -26.254 1.00 43.10 N ATOM 156 CZ ARG A 9 -17.569 23.903 -27.365 1.00 32.33 C ATOM 157 NH1 ARG A 9 -16.456 23.256 -27.501 1.00 32.14 N ATOM 158 NH2 ARG A 9 -17.996 24.631 -28.342 1.00 24.23 N ATOM 0 H ARG A 9 -14.900 23.765 -22.188 1.00 74.24 H new ATOM 0 HA ARG A 9 -17.551 24.485 -21.132 1.00 72.01 H new ATOM 0 HB2 ARG A 9 -16.603 22.185 -22.908 1.00 11.23 H new ATOM 0 HB3 ARG A 9 -18.266 22.443 -22.418 1.00 11.23 H new ATOM 0 HG2 ARG A 9 -18.362 24.543 -23.672 1.00 33.42 H new ATOM 0 HG3 ARG A 9 -16.657 24.433 -24.061 1.00 33.42 H new ATOM 0 HD2 ARG A 9 -17.033 22.388 -25.369 1.00 41.10 H new ATOM 0 HD3 ARG A 9 -18.714 22.336 -24.877 1.00 41.10 H new ATOM 0 HE ARG A 9 -19.092 24.412 -26.180 1.00 43.10 H new ATOM 0 HH11 ARG A 9 -16.100 22.687 -26.733 1.00 32.14 H new ATOM 0 HH12 ARG A 9 -15.935 23.315 -28.376 1.00 32.14 H new ATOM 0 HH21 ARG A 9 -18.865 25.157 -28.245 1.00 24.23 H new ATOM 0 HH22 ARG A 9 -17.465 24.681 -29.211 1.00 24.23 H new ATOM 172 N THR A 10 -16.111 21.562 -20.478 1.00 23.15 N ATOM 173 CA THR A 10 -16.081 20.448 -19.514 1.00 22.41 C ATOM 174 C THR A 10 -14.720 20.306 -18.818 1.00 43.30 C ATOM 175 O THR A 10 -13.676 20.628 -19.389 1.00 4.24 O ATOM 176 CB THR A 10 -16.417 19.106 -20.202 1.00 43.14 C ATOM 177 OG1 THR A 10 -15.470 18.832 -21.247 1.00 32.42 O ATOM 178 CG2 THR A 10 -17.829 19.126 -20.779 1.00 33.23 C ATOM 0 H THR A 10 -15.592 21.384 -21.338 1.00 23.15 H new ATOM 0 HA THR A 10 -16.835 20.686 -18.763 1.00 22.41 H new ATOM 0 HB THR A 10 -16.361 18.319 -19.450 1.00 43.14 H new ATOM 0 HG1 THR A 10 -15.692 17.979 -21.674 1.00 32.42 H new ATOM 0 HG21 THR A 10 -18.040 18.170 -21.258 1.00 33.23 H new ATOM 0 HG22 THR A 10 -18.547 19.297 -19.977 1.00 33.23 H new ATOM 0 HG23 THR A 10 -17.910 19.926 -21.515 1.00 33.23 H new ATOM 186 N ARG A 11 -14.752 19.804 -17.582 1.00 55.03 N ATOM 187 CA ARG A 11 -13.546 19.590 -16.773 1.00 51.44 C ATOM 188 C ARG A 11 -13.882 18.761 -15.520 1.00 21.01 C ATOM 189 O ARG A 11 -14.740 19.144 -14.723 1.00 3.14 O ATOM 190 CB ARG A 11 -12.926 20.952 -16.397 1.00 34.21 C ATOM 191 CG ARG A 11 -11.739 20.891 -15.426 1.00 34.53 C ATOM 192 CD ARG A 11 -12.183 21.021 -13.969 1.00 60.34 C ATOM 193 NE ARG A 11 -13.034 22.195 -13.773 1.00 52.10 N ATOM 194 CZ ARG A 11 -13.184 22.826 -12.645 1.00 23.50 C ATOM 195 NH1 ARG A 11 -12.525 22.469 -11.594 1.00 14.42 N ATOM 196 NH2 ARG A 11 -13.980 23.839 -12.583 1.00 60.21 N ATOM 0 H ARG A 11 -15.615 19.533 -17.111 1.00 55.03 H new ATOM 0 HA ARG A 11 -12.814 19.028 -17.354 1.00 51.44 H new ATOM 0 HB2 ARG A 11 -12.600 21.448 -17.311 1.00 34.21 H new ATOM 0 HB3 ARG A 11 -13.703 21.576 -15.955 1.00 34.21 H new ATOM 0 HG2 ARG A 11 -11.209 19.948 -15.561 1.00 34.53 H new ATOM 0 HG3 ARG A 11 -11.035 21.689 -15.663 1.00 34.53 H new ATOM 0 HD2 ARG A 11 -12.725 20.123 -13.671 1.00 60.34 H new ATOM 0 HD3 ARG A 11 -11.307 21.093 -13.325 1.00 60.34 H new ATOM 0 HE ARG A 11 -13.548 22.545 -14.581 1.00 52.10 H new ATOM 0 HH11 ARG A 11 -11.877 21.683 -11.641 1.00 14.42 H new ATOM 0 HH12 ARG A 11 -12.653 22.973 -10.716 1.00 14.42 H new ATOM 0 HH21 ARG A 11 -14.487 24.141 -13.415 1.00 60.21 H new ATOM 0 HH22 ARG A 11 -14.102 24.338 -11.702 1.00 60.21 H new ATOM 210 N GLY A 12 -13.204 17.627 -15.358 1.00 23.32 N ATOM 211 CA GLY A 12 -13.473 16.727 -14.238 1.00 4.43 C ATOM 212 C GLY A 12 -13.604 15.269 -14.677 1.00 11.24 C ATOM 213 O GLY A 12 -13.921 14.993 -15.838 1.00 71.51 O ATOM 0 H GLY A 12 -12.466 17.310 -15.986 1.00 23.32 H new ATOM 0 HA2 GLY A 12 -12.669 16.812 -13.507 1.00 4.43 H new ATOM 0 HA3 GLY A 12 -14.392 17.037 -13.740 1.00 4.43 H new ATOM 217 N GLY A 13 -13.368 14.336 -13.755 1.00 3.24 N ATOM 218 CA GLY A 13 -13.429 12.912 -14.084 1.00 64.24 C ATOM 219 C GLY A 13 -14.839 12.320 -14.036 1.00 33.13 C ATOM 220 O GLY A 13 -15.832 13.026 -14.232 1.00 0.14 O ATOM 0 H GLY A 13 -13.135 14.538 -12.783 1.00 3.24 H new ATOM 0 HA2 GLY A 13 -13.018 12.763 -15.082 1.00 64.24 H new ATOM 0 HA3 GLY A 13 -12.792 12.362 -13.391 1.00 64.24 H new ATOM 224 N ASN A 14 -14.923 11.016 -13.771 1.00 30.41 N ATOM 225 CA ASN A 14 -16.207 10.302 -13.719 1.00 34.24 C ATOM 226 C ASN A 14 -16.060 9.004 -12.891 1.00 13.01 C ATOM 227 O ASN A 14 -15.041 8.805 -12.224 1.00 61.33 O ATOM 228 CB ASN A 14 -16.680 9.995 -15.155 1.00 10.22 C ATOM 229 CG ASN A 14 -18.177 9.750 -15.256 1.00 62.44 C ATOM 230 OD1 ASN A 14 -18.651 8.629 -15.115 1.00 32.40 O ATOM 231 ND2 ASN A 14 -18.940 10.797 -15.494 1.00 73.31 N ATOM 0 H ASN A 14 -14.112 10.425 -13.587 1.00 30.41 H new ATOM 0 HA ASN A 14 -16.955 10.927 -13.232 1.00 34.24 H new ATOM 0 HB2 ASN A 14 -16.411 10.828 -15.805 1.00 10.22 H new ATOM 0 HB3 ASN A 14 -16.150 9.118 -15.525 1.00 10.22 H new ATOM 0 HD21 ASN A 14 -19.951 10.685 -15.565 1.00 73.31 H new ATOM 0 HD22 ASN A 14 -18.519 11.719 -15.607 1.00 73.31 H new ATOM 238 N THR A 15 -17.072 8.132 -12.913 1.00 33.43 N ATOM 239 CA THR A 15 -16.992 6.834 -12.220 1.00 23.43 C ATOM 240 C THR A 15 -15.912 5.938 -12.845 1.00 63.24 C ATOM 241 O THR A 15 -16.017 5.534 -14.005 1.00 71.10 O ATOM 242 CB THR A 15 -18.352 6.082 -12.237 1.00 53.32 C ATOM 243 OG1 THR A 15 -19.348 6.838 -11.525 1.00 65.32 O ATOM 244 CG2 THR A 15 -18.231 4.694 -11.609 1.00 54.34 C ATOM 0 H THR A 15 -17.954 8.296 -13.399 1.00 33.43 H new ATOM 0 HA THR A 15 -16.728 7.051 -11.185 1.00 23.43 H new ATOM 0 HB THR A 15 -18.650 5.967 -13.279 1.00 53.32 H new ATOM 0 HG1 THR A 15 -20.201 6.355 -11.544 1.00 65.32 H new ATOM 0 HG21 THR A 15 -19.200 4.196 -11.637 1.00 54.34 H new ATOM 0 HG22 THR A 15 -17.504 4.104 -12.167 1.00 54.34 H new ATOM 0 HG23 THR A 15 -17.903 4.790 -10.574 1.00 54.34 H new ATOM 252 N LYS A 16 -14.866 5.646 -12.075 1.00 75.33 N ATOM 253 CA LYS A 16 -13.743 4.835 -12.567 1.00 20.03 C ATOM 254 C LYS A 16 -14.087 3.336 -12.586 1.00 40.12 C ATOM 255 O LYS A 16 -14.993 2.880 -11.884 1.00 63.51 O ATOM 256 CB LYS A 16 -12.484 5.068 -11.704 1.00 22.32 C ATOM 257 CG LYS A 16 -12.448 4.291 -10.380 1.00 23.43 C ATOM 258 CD LYS A 16 -13.546 4.720 -9.405 1.00 1.34 C ATOM 259 CE LYS A 16 -13.479 3.929 -8.100 1.00 45.10 C ATOM 260 NZ LYS A 16 -14.526 4.352 -7.129 1.00 72.44 N ATOM 0 H LYS A 16 -14.768 5.956 -11.108 1.00 75.33 H new ATOM 0 HA LYS A 16 -13.543 5.151 -13.591 1.00 20.03 H new ATOM 0 HB2 LYS A 16 -11.606 4.797 -12.290 1.00 22.32 H new ATOM 0 HB3 LYS A 16 -12.405 6.133 -11.485 1.00 22.32 H new ATOM 0 HG2 LYS A 16 -12.550 3.226 -10.587 1.00 23.43 H new ATOM 0 HG3 LYS A 16 -11.475 4.432 -9.908 1.00 23.43 H new ATOM 0 HD2 LYS A 16 -13.448 5.784 -9.191 1.00 1.34 H new ATOM 0 HD3 LYS A 16 -14.522 4.576 -9.869 1.00 1.34 H new ATOM 0 HE2 LYS A 16 -13.594 2.867 -8.315 1.00 45.10 H new ATOM 0 HE3 LYS A 16 -12.495 4.058 -7.649 1.00 45.10 H new ATOM 0 HZ1 LYS A 16 -14.235 4.086 -6.167 1.00 72.44 H new ATOM 0 HZ2 LYS A 16 -14.651 5.383 -7.180 1.00 72.44 H new ATOM 0 HZ3 LYS A 16 -15.425 3.883 -7.361 1.00 72.44 H new ATOM 274 N VAL A 17 -13.359 2.581 -13.402 1.00 23.33 N ATOM 275 CA VAL A 17 -13.490 1.120 -13.439 1.00 24.23 C ATOM 276 C VAL A 17 -12.601 0.474 -12.356 1.00 2.24 C ATOM 277 O VAL A 17 -11.687 1.116 -11.836 1.00 44.12 O ATOM 278 CB VAL A 17 -13.103 0.565 -14.840 1.00 43.03 C ATOM 279 CG1 VAL A 17 -11.632 0.838 -15.152 1.00 32.21 C ATOM 280 CG2 VAL A 17 -13.416 -0.928 -14.956 1.00 33.32 C ATOM 0 H VAL A 17 -12.667 2.955 -14.052 1.00 23.33 H new ATOM 0 HA VAL A 17 -14.532 0.869 -13.241 1.00 24.23 H new ATOM 0 HB VAL A 17 -13.709 1.089 -15.579 1.00 43.03 H new ATOM 0 HG11 VAL A 17 -11.389 0.439 -16.137 1.00 32.21 H new ATOM 0 HG12 VAL A 17 -11.451 1.913 -15.141 1.00 32.21 H new ATOM 0 HG13 VAL A 17 -11.005 0.357 -14.401 1.00 32.21 H new ATOM 0 HG21 VAL A 17 -13.133 -1.283 -15.947 1.00 33.32 H new ATOM 0 HG22 VAL A 17 -12.855 -1.477 -14.200 1.00 33.32 H new ATOM 0 HG23 VAL A 17 -14.483 -1.089 -14.804 1.00 33.32 H new ATOM 290 N ARG A 18 -12.874 -0.786 -12.010 1.00 42.40 N ATOM 291 CA ARG A 18 -12.066 -1.502 -11.013 1.00 52.34 C ATOM 292 C ARG A 18 -10.629 -1.750 -11.509 1.00 32.21 C ATOM 293 O ARG A 18 -10.322 -1.575 -12.693 1.00 31.12 O ATOM 294 CB ARG A 18 -12.703 -2.855 -10.673 1.00 40.40 C ATOM 295 CG ARG A 18 -12.696 -3.842 -11.838 1.00 2.43 C ATOM 296 CD ARG A 18 -13.002 -5.264 -11.382 1.00 44.11 C ATOM 297 NE ARG A 18 -13.025 -6.204 -12.499 1.00 65.24 N ATOM 298 CZ ARG A 18 -12.021 -6.963 -12.851 1.00 4.42 C ATOM 299 NH1 ARG A 18 -10.892 -6.909 -12.216 1.00 40.21 N ATOM 300 NH2 ARG A 18 -12.149 -7.770 -13.851 1.00 31.20 N ATOM 0 H ARG A 18 -13.643 -1.331 -12.401 1.00 42.40 H new ATOM 0 HA ARG A 18 -12.029 -0.869 -10.126 1.00 52.34 H new ATOM 0 HB2 ARG A 18 -12.171 -3.296 -9.830 1.00 40.40 H new ATOM 0 HB3 ARG A 18 -13.732 -2.693 -10.351 1.00 40.40 H new ATOM 0 HG2 ARG A 18 -13.432 -3.533 -12.580 1.00 2.43 H new ATOM 0 HG3 ARG A 18 -11.722 -3.819 -12.327 1.00 2.43 H new ATOM 0 HD2 ARG A 18 -12.253 -5.581 -10.657 1.00 44.11 H new ATOM 0 HD3 ARG A 18 -13.966 -5.282 -10.873 1.00 44.11 H new ATOM 0 HE ARG A 18 -13.885 -6.273 -13.043 1.00 65.24 H new ATOM 0 HH11 ARG A 18 -10.779 -6.268 -11.431 1.00 40.21 H new ATOM 0 HH12 ARG A 18 -10.117 -7.507 -12.502 1.00 40.21 H new ATOM 0 HH21 ARG A 18 -13.031 -7.813 -14.362 1.00 31.20 H new ATOM 0 HH22 ARG A 18 -11.368 -8.364 -14.130 1.00 31.20 H new ATOM 314 N LEU A 19 -9.760 -2.182 -10.597 1.00 1.03 N ATOM 315 CA LEU A 19 -8.399 -2.588 -10.954 1.00 0.34 C ATOM 316 C LEU A 19 -8.436 -3.733 -11.981 1.00 70.42 C ATOM 317 O LEU A 19 -8.706 -4.888 -11.642 1.00 62.34 O ATOM 318 CB LEU A 19 -7.624 -2.997 -9.685 1.00 63.22 C ATOM 319 CG LEU A 19 -6.098 -3.208 -9.850 1.00 42.44 C ATOM 320 CD1 LEU A 19 -5.389 -3.090 -8.503 1.00 51.30 C ATOM 321 CD2 LEU A 19 -5.783 -4.567 -10.485 1.00 63.40 C ATOM 0 H LEU A 19 -9.973 -2.261 -9.603 1.00 1.03 H new ATOM 0 HA LEU A 19 -7.881 -1.746 -11.413 1.00 0.34 H new ATOM 0 HB2 LEU A 19 -7.783 -2.232 -8.925 1.00 63.22 H new ATOM 0 HB3 LEU A 19 -8.058 -3.921 -9.302 1.00 63.22 H new ATOM 0 HG LEU A 19 -5.732 -2.427 -10.517 1.00 42.44 H new ATOM 0 HD11 LEU A 19 -4.318 -3.241 -8.641 1.00 51.30 H new ATOM 0 HD12 LEU A 19 -5.564 -2.099 -8.085 1.00 51.30 H new ATOM 0 HD13 LEU A 19 -5.777 -3.846 -7.820 1.00 51.30 H new ATOM 0 HD21 LEU A 19 -4.704 -4.680 -10.585 1.00 63.40 H new ATOM 0 HD22 LEU A 19 -6.174 -5.364 -9.852 1.00 63.40 H new ATOM 0 HD23 LEU A 19 -6.247 -4.625 -11.470 1.00 63.40 H new ATOM 333 N ALA A 20 -8.204 -3.380 -13.241 1.00 32.32 N ATOM 334 CA ALA A 20 -8.178 -4.344 -14.350 1.00 2.32 C ATOM 335 C ALA A 20 -7.418 -3.756 -15.545 1.00 1.35 C ATOM 336 O ALA A 20 -6.474 -4.359 -16.061 1.00 23.00 O ATOM 337 CB ALA A 20 -9.600 -4.726 -14.751 1.00 53.53 C ATOM 0 H ALA A 20 -8.028 -2.417 -13.529 1.00 32.32 H new ATOM 0 HA ALA A 20 -7.660 -5.245 -14.022 1.00 2.32 H new ATOM 0 HB1 ALA A 20 -9.567 -5.441 -15.573 1.00 53.53 H new ATOM 0 HB2 ALA A 20 -10.110 -5.177 -13.899 1.00 53.53 H new ATOM 0 HB3 ALA A 20 -10.141 -3.834 -15.067 1.00 53.53 H new ATOM 343 N SER A 21 -7.840 -2.567 -15.975 1.00 65.22 N ATOM 344 CA SER A 21 -7.135 -1.819 -17.031 1.00 40.32 C ATOM 345 C SER A 21 -6.095 -0.861 -16.428 1.00 73.21 C ATOM 346 O SER A 21 -5.584 0.032 -17.110 1.00 34.34 O ATOM 347 CB SER A 21 -8.138 -1.024 -17.879 1.00 15.31 C ATOM 348 OG SER A 21 -9.104 -1.878 -18.477 1.00 11.44 O ATOM 0 H SER A 21 -8.668 -2.095 -15.611 1.00 65.22 H new ATOM 0 HA SER A 21 -6.617 -2.540 -17.664 1.00 40.32 H new ATOM 0 HB2 SER A 21 -8.640 -0.286 -17.254 1.00 15.31 H new ATOM 0 HB3 SER A 21 -7.605 -0.475 -18.655 1.00 15.31 H new ATOM 0 HG SER A 21 -9.729 -1.343 -19.009 1.00 11.44 H new ATOM 354 N ASP A 22 -5.782 -1.060 -15.150 1.00 54.41 N ATOM 355 CA ASP A 22 -4.818 -0.221 -14.434 1.00 4.31 C ATOM 356 C ASP A 22 -4.344 -0.913 -13.145 1.00 74.13 C ATOM 357 O ASP A 22 -5.010 -1.812 -12.633 1.00 51.23 O ATOM 358 CB ASP A 22 -5.435 1.147 -14.111 1.00 10.23 C ATOM 359 CG ASP A 22 -4.473 2.049 -13.358 1.00 14.51 C ATOM 360 OD1 ASP A 22 -3.425 2.412 -13.930 1.00 34.35 O ATOM 361 OD2 ASP A 22 -4.745 2.375 -12.187 1.00 35.23 O ATOM 0 H ASP A 22 -6.186 -1.804 -14.581 1.00 54.41 H new ATOM 0 HA ASP A 22 -3.952 -0.070 -15.079 1.00 4.31 H new ATOM 0 HB2 ASP A 22 -5.737 1.635 -15.038 1.00 10.23 H new ATOM 0 HB3 ASP A 22 -6.337 1.005 -13.516 1.00 10.23 H new ATOM 366 N THR A 23 -3.183 -0.501 -12.633 1.00 55.31 N ATOM 367 CA THR A 23 -2.625 -1.084 -11.403 1.00 43.23 C ATOM 368 C THR A 23 -2.172 0.003 -10.421 1.00 44.25 C ATOM 369 O THR A 23 -1.215 0.734 -10.692 1.00 53.21 O ATOM 370 CB THR A 23 -1.415 -1.999 -11.719 1.00 1.02 C ATOM 371 OG1 THR A 23 -1.788 -2.994 -12.682 1.00 4.41 O ATOM 372 CG2 THR A 23 -0.885 -2.685 -10.461 1.00 44.12 C ATOM 0 H THR A 23 -2.609 0.233 -13.047 1.00 55.31 H new ATOM 0 HA THR A 23 -3.421 -1.672 -10.947 1.00 43.23 H new ATOM 0 HB THR A 23 -0.623 -1.369 -12.125 1.00 1.02 H new ATOM 0 HG1 THR A 23 -1.017 -3.566 -12.877 1.00 4.41 H new ATOM 0 HG21 THR A 23 -0.037 -3.318 -10.722 1.00 44.12 H new ATOM 0 HG22 THR A 23 -0.567 -1.930 -9.742 1.00 44.12 H new ATOM 0 HG23 THR A 23 -1.673 -3.296 -10.021 1.00 44.12 H new ATOM 380 N ARG A 24 -2.858 0.088 -9.278 1.00 14.22 N ATOM 381 CA ARG A 24 -2.541 1.060 -8.215 1.00 51.21 C ATOM 382 C ARG A 24 -3.194 0.658 -6.881 1.00 53.21 C ATOM 383 O ARG A 24 -4.028 -0.248 -6.833 1.00 22.20 O ATOM 384 CB ARG A 24 -2.993 2.481 -8.609 1.00 24.15 C ATOM 385 CG ARG A 24 -1.922 3.300 -9.333 1.00 53.44 C ATOM 386 CD ARG A 24 -2.460 4.643 -9.812 1.00 63.23 C ATOM 387 NE ARG A 24 -3.514 4.471 -10.804 1.00 45.25 N ATOM 388 CZ ARG A 24 -4.036 5.434 -11.506 1.00 14.04 C ATOM 389 NH1 ARG A 24 -3.669 6.664 -11.331 1.00 42.32 N ATOM 390 NH2 ARG A 24 -4.946 5.156 -12.377 1.00 44.12 N ATOM 0 H ARG A 24 -3.651 -0.514 -9.058 1.00 14.22 H new ATOM 0 HA ARG A 24 -1.458 1.059 -8.088 1.00 51.21 H new ATOM 0 HB2 ARG A 24 -3.872 2.406 -9.249 1.00 24.15 H new ATOM 0 HB3 ARG A 24 -3.298 3.016 -7.710 1.00 24.15 H new ATOM 0 HG2 ARG A 24 -1.077 3.465 -8.664 1.00 53.44 H new ATOM 0 HG3 ARG A 24 -1.547 2.734 -10.186 1.00 53.44 H new ATOM 0 HD2 ARG A 24 -2.846 5.206 -8.962 1.00 63.23 H new ATOM 0 HD3 ARG A 24 -1.648 5.230 -10.240 1.00 63.23 H new ATOM 0 HE ARG A 24 -3.868 3.527 -10.959 1.00 45.25 H new ATOM 0 HH11 ARG A 24 -2.960 6.890 -10.634 1.00 42.32 H new ATOM 0 HH12 ARG A 24 -4.089 7.406 -11.891 1.00 42.32 H new ATOM 0 HH21 ARG A 24 -5.248 4.191 -12.509 1.00 44.12 H new ATOM 0 HH22 ARG A 24 -5.364 5.902 -12.934 1.00 44.12 H new ATOM 404 N ILE A 25 -2.811 1.344 -5.803 1.00 30.22 N ATOM 405 CA ILE A 25 -3.334 1.055 -4.462 1.00 71.32 C ATOM 406 C ILE A 25 -3.436 2.333 -3.608 1.00 12.23 C ATOM 407 O ILE A 25 -2.551 3.192 -3.650 1.00 21.12 O ATOM 408 CB ILE A 25 -2.440 0.013 -3.731 1.00 14.42 C ATOM 409 CG1 ILE A 25 -2.987 -0.291 -2.324 1.00 22.04 C ATOM 410 CG2 ILE A 25 -0.990 0.498 -3.657 1.00 25.40 C ATOM 411 CD1 ILE A 25 -2.196 -1.342 -1.570 1.00 5.43 C ATOM 0 H ILE A 25 -2.136 2.109 -5.831 1.00 30.22 H new ATOM 0 HA ILE A 25 -4.335 0.642 -4.590 1.00 71.32 H new ATOM 0 HB ILE A 25 -2.460 -0.912 -4.308 1.00 14.42 H new ATOM 0 HG12 ILE A 25 -2.995 0.630 -1.742 1.00 22.04 H new ATOM 0 HG13 ILE A 25 -4.022 -0.622 -2.411 1.00 22.04 H new ATOM 0 HG21 ILE A 25 -0.383 -0.247 -3.142 1.00 25.40 H new ATOM 0 HG22 ILE A 25 -0.604 0.646 -4.666 1.00 25.40 H new ATOM 0 HG23 ILE A 25 -0.949 1.440 -3.111 1.00 25.40 H new ATOM 0 HD11 ILE A 25 -2.644 -1.500 -0.589 1.00 5.43 H new ATOM 0 HD12 ILE A 25 -2.209 -2.278 -2.129 1.00 5.43 H new ATOM 0 HD13 ILE A 25 -1.166 -1.005 -1.449 1.00 5.43 H new ATOM 423 N ASN A 26 -4.523 2.457 -2.845 1.00 72.14 N ATOM 424 CA ASN A 26 -4.699 3.588 -1.928 1.00 54.33 C ATOM 425 C ASN A 26 -3.792 3.435 -0.699 1.00 34.11 C ATOM 426 O ASN A 26 -4.041 2.594 0.169 1.00 71.44 O ATOM 427 CB ASN A 26 -6.162 3.706 -1.483 1.00 52.24 C ATOM 428 CG ASN A 26 -7.118 3.912 -2.642 1.00 33.04 C ATOM 429 OD1 ASN A 26 -6.755 4.449 -3.678 1.00 41.30 O ATOM 430 ND2 ASN A 26 -8.354 3.494 -2.469 1.00 10.35 N ATOM 0 H ASN A 26 -5.295 1.790 -2.843 1.00 72.14 H new ATOM 0 HA ASN A 26 -4.421 4.497 -2.461 1.00 54.33 H new ATOM 0 HB2 ASN A 26 -6.445 2.804 -0.941 1.00 52.24 H new ATOM 0 HB3 ASN A 26 -6.258 4.539 -0.787 1.00 52.24 H new ATOM 0 HD21 ASN A 26 -9.042 3.614 -3.212 1.00 10.35 H new ATOM 0 HD22 ASN A 26 -8.624 3.050 -1.591 1.00 10.35 H new ATOM 437 N VAL A 27 -2.738 4.238 -0.639 1.00 75.34 N ATOM 438 CA VAL A 27 -1.757 4.151 0.444 1.00 62.34 C ATOM 439 C VAL A 27 -2.023 5.185 1.548 1.00 73.25 C ATOM 440 O VAL A 27 -2.087 6.389 1.291 1.00 21.20 O ATOM 441 CB VAL A 27 -0.322 4.350 -0.102 1.00 44.43 C ATOM 442 CG1 VAL A 27 0.713 4.203 1.010 1.00 3.11 C ATOM 443 CG2 VAL A 27 -0.038 3.375 -1.239 1.00 25.14 C ATOM 0 H VAL A 27 -2.537 4.961 -1.329 1.00 75.34 H new ATOM 0 HA VAL A 27 -1.854 3.155 0.876 1.00 62.34 H new ATOM 0 HB VAL A 27 -0.249 5.364 -0.495 1.00 44.43 H new ATOM 0 HG11 VAL A 27 1.712 4.348 0.599 1.00 3.11 H new ATOM 0 HG12 VAL A 27 0.527 4.950 1.782 1.00 3.11 H new ATOM 0 HG13 VAL A 27 0.641 3.206 1.445 1.00 3.11 H new ATOM 0 HG21 VAL A 27 0.976 3.532 -1.608 1.00 25.14 H new ATOM 0 HG22 VAL A 27 -0.137 2.352 -0.875 1.00 25.14 H new ATOM 0 HG23 VAL A 27 -0.749 3.543 -2.048 1.00 25.14 H new ATOM 453 N VAL A 28 -2.181 4.704 2.781 1.00 2.10 N ATOM 454 CA VAL A 28 -2.325 5.585 3.940 1.00 60.43 C ATOM 455 C VAL A 28 -0.967 5.801 4.627 1.00 42.41 C ATOM 456 O VAL A 28 -0.382 4.870 5.183 1.00 1.25 O ATOM 457 CB VAL A 28 -3.337 5.018 4.969 1.00 21.00 C ATOM 458 CG1 VAL A 28 -3.513 5.982 6.146 1.00 24.02 C ATOM 459 CG2 VAL A 28 -4.679 4.726 4.296 1.00 32.52 C ATOM 0 H VAL A 28 -2.213 3.709 3.003 1.00 2.10 H new ATOM 0 HA VAL A 28 -2.705 6.539 3.573 1.00 60.43 H new ATOM 0 HB VAL A 28 -2.941 4.081 5.360 1.00 21.00 H new ATOM 0 HG11 VAL A 28 -4.227 5.564 6.855 1.00 24.02 H new ATOM 0 HG12 VAL A 28 -2.554 6.130 6.642 1.00 24.02 H new ATOM 0 HG13 VAL A 28 -3.884 6.939 5.780 1.00 24.02 H new ATOM 0 HG21 VAL A 28 -5.377 4.329 5.033 1.00 32.52 H new ATOM 0 HG22 VAL A 28 -5.082 5.646 3.874 1.00 32.52 H new ATOM 0 HG23 VAL A 28 -4.536 3.994 3.501 1.00 32.52 H new ATOM 469 N ASP A 29 -0.470 7.029 4.560 1.00 32.04 N ATOM 470 CA ASP A 29 0.826 7.393 5.138 1.00 34.12 C ATOM 471 C ASP A 29 0.713 7.609 6.663 1.00 33.11 C ATOM 472 O ASP A 29 0.041 8.536 7.110 1.00 12.40 O ATOM 473 CB ASP A 29 1.321 8.669 4.446 1.00 51.55 C ATOM 474 CG ASP A 29 2.742 9.053 4.813 1.00 73.23 C ATOM 475 OD1 ASP A 29 2.964 9.516 5.942 1.00 75.14 O ATOM 476 OD2 ASP A 29 3.633 8.933 3.949 1.00 61.05 O ATOM 0 H ASP A 29 -0.951 7.804 4.104 1.00 32.04 H new ATOM 0 HA ASP A 29 1.537 6.583 4.979 1.00 34.12 H new ATOM 0 HB2 ASP A 29 1.259 8.533 3.366 1.00 51.55 H new ATOM 0 HB3 ASP A 29 0.654 9.492 4.703 1.00 51.55 H new ATOM 481 N PRO A 30 1.374 6.766 7.483 1.00 14.32 N ATOM 482 CA PRO A 30 1.306 6.867 8.952 1.00 23.10 C ATOM 483 C PRO A 30 2.278 7.917 9.530 1.00 75.31 C ATOM 484 O PRO A 30 2.193 8.281 10.709 1.00 33.23 O ATOM 485 CB PRO A 30 1.711 5.456 9.386 1.00 24.03 C ATOM 486 CG PRO A 30 2.721 5.054 8.367 1.00 5.25 C ATOM 487 CD PRO A 30 2.243 5.647 7.059 1.00 73.51 C ATOM 0 HA PRO A 30 0.326 7.190 9.305 1.00 23.10 H new ATOM 0 HB2 PRO A 30 2.132 5.451 10.392 1.00 24.03 H new ATOM 0 HB3 PRO A 30 0.857 4.778 9.394 1.00 24.03 H new ATOM 0 HG2 PRO A 30 3.711 5.429 8.628 1.00 5.25 H new ATOM 0 HG3 PRO A 30 2.798 3.969 8.300 1.00 5.25 H new ATOM 0 HD2 PRO A 30 3.076 5.995 6.448 1.00 73.51 H new ATOM 0 HD3 PRO A 30 1.695 4.917 6.464 1.00 73.51 H new ATOM 495 N GLU A 31 3.197 8.402 8.693 1.00 32.54 N ATOM 496 CA GLU A 31 4.205 9.382 9.115 1.00 52.44 C ATOM 497 C GLU A 31 3.595 10.788 9.209 1.00 71.32 C ATOM 498 O GLU A 31 3.905 11.557 10.118 1.00 43.42 O ATOM 499 CB GLU A 31 5.372 9.396 8.112 1.00 62.44 C ATOM 500 CG GLU A 31 6.007 8.031 7.865 1.00 75.31 C ATOM 501 CD GLU A 31 6.792 7.513 9.058 1.00 23.24 C ATOM 502 OE1 GLU A 31 7.986 7.856 9.185 1.00 23.42 O ATOM 503 OE2 GLU A 31 6.238 6.739 9.861 1.00 61.21 O ATOM 0 H GLU A 31 3.266 8.131 7.712 1.00 32.54 H new ATOM 0 HA GLU A 31 4.570 9.093 10.101 1.00 52.44 H new ATOM 0 HB2 GLU A 31 5.014 9.794 7.162 1.00 62.44 H new ATOM 0 HB3 GLU A 31 6.139 10.080 8.475 1.00 62.44 H new ATOM 0 HG2 GLU A 31 5.226 7.314 7.613 1.00 75.31 H new ATOM 0 HG3 GLU A 31 6.670 8.096 7.002 1.00 75.31 H new ATOM 510 N THR A 32 2.729 11.107 8.250 1.00 1.41 N ATOM 511 CA THR A 32 2.083 12.428 8.165 1.00 3.23 C ATOM 512 C THR A 32 0.552 12.331 8.218 1.00 45.32 C ATOM 513 O THR A 32 -0.126 13.274 8.640 1.00 2.43 O ATOM 514 CB THR A 32 2.475 13.151 6.856 1.00 73.34 C ATOM 515 OG1 THR A 32 2.168 12.316 5.726 1.00 75.04 O ATOM 516 CG2 THR A 32 3.958 13.501 6.849 1.00 72.54 C ATOM 0 H THR A 32 2.451 10.464 7.509 1.00 1.41 H new ATOM 0 HA THR A 32 2.433 12.992 9.030 1.00 3.23 H new ATOM 0 HB THR A 32 1.903 14.076 6.792 1.00 73.34 H new ATOM 0 HG1 THR A 32 2.600 11.444 5.837 1.00 75.04 H new ATOM 0 HG21 THR A 32 4.208 14.009 5.917 1.00 72.54 H new ATOM 0 HG22 THR A 32 4.181 14.157 7.691 1.00 72.54 H new ATOM 0 HG23 THR A 32 4.548 12.588 6.934 1.00 72.54 H new ATOM 524 N GLY A 33 0.008 11.199 7.781 1.00 21.21 N ATOM 525 CA GLY A 33 -1.441 11.007 7.766 1.00 40.34 C ATOM 526 C GLY A 33 -2.091 11.412 6.443 1.00 13.24 C ATOM 527 O GLY A 33 -3.245 11.837 6.418 1.00 34.42 O ATOM 0 H GLY A 33 0.544 10.404 7.434 1.00 21.21 H new ATOM 0 HA2 GLY A 33 -1.664 9.959 7.966 1.00 40.34 H new ATOM 0 HA3 GLY A 33 -1.886 11.588 8.574 1.00 40.34 H new ATOM 531 N LYS A 34 -1.345 11.300 5.343 1.00 23.34 N ATOM 532 CA LYS A 34 -1.885 11.613 4.011 1.00 25.55 C ATOM 533 C LYS A 34 -2.300 10.331 3.263 1.00 34.22 C ATOM 534 O LYS A 34 -1.631 9.302 3.354 1.00 41.34 O ATOM 535 CB LYS A 34 -0.856 12.397 3.172 1.00 25.04 C ATOM 536 CG LYS A 34 0.369 11.585 2.746 1.00 30.45 C ATOM 537 CD LYS A 34 1.261 12.362 1.774 1.00 71.02 C ATOM 538 CE LYS A 34 2.384 11.497 1.198 1.00 74.11 C ATOM 539 NZ LYS A 34 3.346 11.048 2.238 1.00 24.54 N ATOM 0 H LYS A 34 -0.371 10.997 5.343 1.00 23.34 H new ATOM 0 HA LYS A 34 -2.770 12.233 4.154 1.00 25.55 H new ATOM 0 HB2 LYS A 34 -1.351 12.780 2.279 1.00 25.04 H new ATOM 0 HB3 LYS A 34 -0.521 13.261 3.746 1.00 25.04 H new ATOM 0 HG2 LYS A 34 0.947 11.310 3.628 1.00 30.45 H new ATOM 0 HG3 LYS A 34 0.044 10.657 2.277 1.00 30.45 H new ATOM 0 HD2 LYS A 34 0.652 12.753 0.959 1.00 71.02 H new ATOM 0 HD3 LYS A 34 1.694 13.220 2.288 1.00 71.02 H new ATOM 0 HE2 LYS A 34 1.952 10.625 0.707 1.00 74.11 H new ATOM 0 HE3 LYS A 34 2.918 12.062 0.433 1.00 74.11 H new ATOM 0 HZ1 LYS A 34 4.306 11.029 1.838 1.00 24.54 H new ATOM 0 HZ2 LYS A 34 3.319 11.706 3.043 1.00 24.54 H new ATOM 0 HZ3 LYS A 34 3.087 10.094 2.562 1.00 24.54 H new ATOM 553 N VAL A 35 -3.404 10.396 2.522 1.00 62.23 N ATOM 554 CA VAL A 35 -3.874 9.255 1.725 1.00 2.43 C ATOM 555 C VAL A 35 -3.642 9.505 0.224 1.00 44.52 C ATOM 556 O VAL A 35 -4.272 10.382 -0.377 1.00 45.55 O ATOM 557 CB VAL A 35 -5.379 8.970 1.975 1.00 11.44 C ATOM 558 CG1 VAL A 35 -5.831 7.724 1.209 1.00 44.53 C ATOM 559 CG2 VAL A 35 -5.657 8.823 3.474 1.00 63.05 C ATOM 0 H VAL A 35 -3.993 11.226 2.454 1.00 62.23 H new ATOM 0 HA VAL A 35 -3.299 8.384 2.038 1.00 2.43 H new ATOM 0 HB VAL A 35 -5.955 9.818 1.604 1.00 11.44 H new ATOM 0 HG11 VAL A 35 -6.889 7.544 1.399 1.00 44.53 H new ATOM 0 HG12 VAL A 35 -5.675 7.877 0.141 1.00 44.53 H new ATOM 0 HG13 VAL A 35 -5.251 6.863 1.540 1.00 44.53 H new ATOM 0 HG21 VAL A 35 -6.717 8.624 3.630 1.00 63.05 H new ATOM 0 HG22 VAL A 35 -5.070 7.996 3.874 1.00 63.05 H new ATOM 0 HG23 VAL A 35 -5.382 9.745 3.987 1.00 63.05 H new ATOM 569 N GLU A 36 -2.734 8.740 -0.376 1.00 11.10 N ATOM 570 CA GLU A 36 -2.377 8.925 -1.787 1.00 5.50 C ATOM 571 C GLU A 36 -2.342 7.586 -2.539 1.00 65.33 C ATOM 572 O GLU A 36 -1.908 6.567 -1.998 1.00 64.24 O ATOM 573 CB GLU A 36 -1.016 9.632 -1.893 1.00 53.11 C ATOM 574 CG GLU A 36 -0.532 9.846 -3.328 1.00 71.33 C ATOM 575 CD GLU A 36 0.757 10.653 -3.407 1.00 31.54 C ATOM 576 OE1 GLU A 36 1.823 10.126 -3.030 1.00 15.44 O ATOM 577 OE2 GLU A 36 0.711 11.820 -3.857 1.00 62.51 O ATOM 0 H GLU A 36 -2.230 7.985 0.089 1.00 11.10 H new ATOM 0 HA GLU A 36 -3.143 9.545 -2.252 1.00 5.50 H new ATOM 0 HB2 GLU A 36 -1.082 10.600 -1.395 1.00 53.11 H new ATOM 0 HB3 GLU A 36 -0.272 9.046 -1.354 1.00 53.11 H new ATOM 0 HG2 GLU A 36 -0.377 8.877 -3.802 1.00 71.33 H new ATOM 0 HG3 GLU A 36 -1.310 10.357 -3.895 1.00 71.33 H new ATOM 584 N ILE A 37 -2.808 7.591 -3.788 1.00 32.45 N ATOM 585 CA ILE A 37 -2.836 6.380 -4.617 1.00 5.24 C ATOM 586 C ILE A 37 -1.472 6.129 -5.289 1.00 45.31 C ATOM 587 O ILE A 37 -1.053 6.883 -6.171 1.00 40.30 O ATOM 588 CB ILE A 37 -3.937 6.480 -5.706 1.00 13.31 C ATOM 589 CG1 ILE A 37 -5.286 6.863 -5.069 1.00 71.33 C ATOM 590 CG2 ILE A 37 -4.056 5.160 -6.472 1.00 64.21 C ATOM 591 CD1 ILE A 37 -6.410 7.051 -6.069 1.00 30.40 C ATOM 0 H ILE A 37 -3.173 8.423 -4.252 1.00 32.45 H new ATOM 0 HA ILE A 37 -3.060 5.542 -3.956 1.00 5.24 H new ATOM 0 HB ILE A 37 -3.656 7.260 -6.414 1.00 13.31 H new ATOM 0 HG12 ILE A 37 -5.573 6.089 -4.357 1.00 71.33 H new ATOM 0 HG13 ILE A 37 -5.160 7.786 -4.503 1.00 71.33 H new ATOM 0 HG21 ILE A 37 -4.833 5.249 -7.231 1.00 64.21 H new ATOM 0 HG22 ILE A 37 -3.104 4.930 -6.951 1.00 64.21 H new ATOM 0 HG23 ILE A 37 -4.316 4.359 -5.779 1.00 64.21 H new ATOM 0 HD11 ILE A 37 -7.325 7.319 -5.541 1.00 30.40 H new ATOM 0 HD12 ILE A 37 -6.147 7.846 -6.767 1.00 30.40 H new ATOM 0 HD13 ILE A 37 -6.567 6.123 -6.619 1.00 30.40 H new ATOM 603 N ALA A 38 -0.781 5.071 -4.867 1.00 60.20 N ATOM 604 CA ALA A 38 0.552 4.749 -5.400 1.00 3.32 C ATOM 605 C ALA A 38 0.507 3.585 -6.400 1.00 55.53 C ATOM 606 O ALA A 38 -0.414 2.765 -6.380 1.00 50.21 O ATOM 607 CB ALA A 38 1.506 4.420 -4.258 1.00 62.12 C ATOM 0 H ALA A 38 -1.118 4.419 -4.158 1.00 60.20 H new ATOM 0 HA ALA A 38 0.912 5.628 -5.935 1.00 3.32 H new ATOM 0 HB1 ALA A 38 2.490 4.183 -4.663 1.00 62.12 H new ATOM 0 HB2 ALA A 38 1.585 5.279 -3.591 1.00 62.12 H new ATOM 0 HB3 ALA A 38 1.126 3.563 -3.702 1.00 62.12 H new ATOM 613 N GLU A 39 1.514 3.518 -7.270 1.00 53.01 N ATOM 614 CA GLU A 39 1.617 2.449 -8.272 1.00 55.51 C ATOM 615 C GLU A 39 2.255 1.190 -7.669 1.00 13.14 C ATOM 616 O GLU A 39 3.261 1.276 -6.960 1.00 11.40 O ATOM 617 CB GLU A 39 2.462 2.922 -9.465 1.00 72.45 C ATOM 618 CG GLU A 39 1.991 4.235 -10.075 1.00 4.14 C ATOM 619 CD GLU A 39 2.902 4.730 -11.190 1.00 33.33 C ATOM 620 OE1 GLU A 39 4.059 5.106 -10.898 1.00 33.20 O ATOM 621 OE2 GLU A 39 2.460 4.763 -12.359 1.00 25.13 O ATOM 0 H GLU A 39 2.277 4.195 -7.304 1.00 53.01 H new ATOM 0 HA GLU A 39 0.609 2.207 -8.608 1.00 55.51 H new ATOM 0 HB2 GLU A 39 3.497 3.034 -9.142 1.00 72.45 H new ATOM 0 HB3 GLU A 39 2.449 2.150 -10.235 1.00 72.45 H new ATOM 0 HG2 GLU A 39 0.982 4.107 -10.467 1.00 4.14 H new ATOM 0 HG3 GLU A 39 1.935 4.993 -9.294 1.00 4.14 H new ATOM 628 N ILE A 40 1.682 0.023 -7.954 1.00 10.32 N ATOM 629 CA ILE A 40 2.239 -1.236 -7.450 1.00 5.31 C ATOM 630 C ILE A 40 3.371 -1.741 -8.359 1.00 51.01 C ATOM 631 O ILE A 40 3.144 -2.134 -9.506 1.00 31.41 O ATOM 632 CB ILE A 40 1.147 -2.332 -7.327 1.00 60.14 C ATOM 633 CG1 ILE A 40 -0.005 -1.845 -6.429 1.00 2.30 C ATOM 634 CG2 ILE A 40 1.743 -3.631 -6.783 1.00 43.12 C ATOM 635 CD1 ILE A 40 -1.143 -2.840 -6.284 1.00 43.11 C ATOM 0 H ILE A 40 0.842 -0.080 -8.524 1.00 10.32 H new ATOM 0 HA ILE A 40 2.641 -1.032 -6.458 1.00 5.31 H new ATOM 0 HB ILE A 40 0.748 -2.532 -8.321 1.00 60.14 H new ATOM 0 HG12 ILE A 40 0.392 -1.617 -5.440 1.00 2.30 H new ATOM 0 HG13 ILE A 40 -0.400 -0.914 -6.836 1.00 2.30 H new ATOM 0 HG21 ILE A 40 0.960 -4.386 -6.705 1.00 43.12 H new ATOM 0 HG22 ILE A 40 2.522 -3.985 -7.458 1.00 43.12 H new ATOM 0 HG23 ILE A 40 2.172 -3.450 -5.798 1.00 43.12 H new ATOM 0 HD11 ILE A 40 -1.913 -2.420 -5.636 1.00 43.11 H new ATOM 0 HD12 ILE A 40 -1.569 -3.051 -7.265 1.00 43.11 H new ATOM 0 HD13 ILE A 40 -0.765 -3.764 -5.846 1.00 43.11 H new ATOM 647 N ARG A 41 4.592 -1.722 -7.835 1.00 31.23 N ATOM 648 CA ARG A 41 5.770 -2.201 -8.565 1.00 61.34 C ATOM 649 C ARG A 41 5.904 -3.728 -8.454 1.00 55.34 C ATOM 650 O ARG A 41 6.007 -4.430 -9.459 1.00 15.11 O ATOM 651 CB ARG A 41 7.031 -1.515 -8.017 1.00 13.14 C ATOM 652 CG ARG A 41 6.956 0.011 -8.054 1.00 72.44 C ATOM 653 CD ARG A 41 8.179 0.663 -7.420 1.00 1.52 C ATOM 654 NE ARG A 41 9.416 0.333 -8.126 1.00 42.33 N ATOM 655 CZ ARG A 41 10.133 1.201 -8.786 1.00 34.10 C ATOM 656 NH1 ARG A 41 9.756 2.437 -8.876 1.00 44.54 N ATOM 657 NH2 ARG A 41 11.235 0.827 -9.347 1.00 3.41 N ATOM 0 H ARG A 41 4.797 -1.377 -6.897 1.00 31.23 H new ATOM 0 HA ARG A 41 5.651 -1.950 -9.619 1.00 61.34 H new ATOM 0 HB2 ARG A 41 7.194 -1.839 -6.989 1.00 13.14 H new ATOM 0 HB3 ARG A 41 7.895 -1.843 -8.595 1.00 13.14 H new ATOM 0 HG2 ARG A 41 6.864 0.344 -9.088 1.00 72.44 H new ATOM 0 HG3 ARG A 41 6.058 0.342 -7.532 1.00 72.44 H new ATOM 0 HD2 ARG A 41 8.047 1.745 -7.411 1.00 1.52 H new ATOM 0 HD3 ARG A 41 8.260 0.343 -6.381 1.00 1.52 H new ATOM 0 HE ARG A 41 9.738 -0.634 -8.101 1.00 42.33 H new ATOM 0 HH11 ARG A 41 8.891 2.740 -8.428 1.00 44.54 H new ATOM 0 HH12 ARG A 41 10.324 3.107 -9.394 1.00 44.54 H new ATOM 0 HH21 ARG A 41 11.541 -0.143 -9.273 1.00 3.41 H new ATOM 0 HH22 ARG A 41 11.799 1.502 -9.864 1.00 3.41 H new ATOM 671 N ASN A 42 5.899 -4.232 -7.221 1.00 50.42 N ATOM 672 CA ASN A 42 5.974 -5.677 -6.972 1.00 63.52 C ATOM 673 C ASN A 42 4.798 -6.143 -6.106 1.00 63.31 C ATOM 674 O ASN A 42 4.498 -5.541 -5.075 1.00 50.40 O ATOM 675 CB ASN A 42 7.291 -6.053 -6.281 1.00 73.13 C ATOM 676 CG ASN A 42 8.525 -5.665 -7.080 1.00 74.02 C ATOM 677 OD1 ASN A 42 8.484 -5.533 -8.299 1.00 54.11 O ATOM 678 ND2 ASN A 42 9.642 -5.509 -6.399 1.00 44.43 N ATOM 0 H ASN A 42 5.844 -3.663 -6.376 1.00 50.42 H new ATOM 0 HA ASN A 42 5.928 -6.175 -7.940 1.00 63.52 H new ATOM 0 HB2 ASN A 42 7.332 -5.569 -5.305 1.00 73.13 H new ATOM 0 HB3 ASN A 42 7.305 -7.128 -6.104 1.00 73.13 H new ATOM 0 HD21 ASN A 42 10.507 -5.271 -6.885 1.00 44.43 H new ATOM 0 HD22 ASN A 42 9.642 -5.626 -5.386 1.00 44.43 H new ATOM 685 N VAL A 43 4.146 -7.225 -6.525 1.00 61.01 N ATOM 686 CA VAL A 43 3.010 -7.791 -5.781 1.00 10.14 C ATOM 687 C VAL A 43 3.468 -8.806 -4.716 1.00 43.14 C ATOM 688 O VAL A 43 2.654 -9.527 -4.137 1.00 65.11 O ATOM 689 CB VAL A 43 2.001 -8.475 -6.742 1.00 40.30 C ATOM 690 CG1 VAL A 43 1.415 -7.457 -7.718 1.00 3.31 C ATOM 691 CG2 VAL A 43 2.659 -9.631 -7.494 1.00 21.40 C ATOM 0 H VAL A 43 4.382 -7.733 -7.378 1.00 61.01 H new ATOM 0 HA VAL A 43 2.521 -6.958 -5.276 1.00 10.14 H new ATOM 0 HB VAL A 43 1.187 -8.885 -6.144 1.00 40.30 H new ATOM 0 HG11 VAL A 43 0.710 -7.955 -8.384 1.00 3.31 H new ATOM 0 HG12 VAL A 43 0.898 -6.675 -7.162 1.00 3.31 H new ATOM 0 HG13 VAL A 43 2.218 -7.013 -8.307 1.00 3.31 H new ATOM 0 HG21 VAL A 43 1.931 -10.093 -8.160 1.00 21.40 H new ATOM 0 HG22 VAL A 43 3.498 -9.254 -8.079 1.00 21.40 H new ATOM 0 HG23 VAL A 43 3.019 -10.372 -6.780 1.00 21.40 H new ATOM 701 N VAL A 44 4.772 -8.844 -4.448 1.00 10.52 N ATOM 702 CA VAL A 44 5.339 -9.780 -3.472 1.00 62.04 C ATOM 703 C VAL A 44 6.419 -9.112 -2.602 1.00 64.42 C ATOM 704 O VAL A 44 7.283 -8.385 -3.099 1.00 32.24 O ATOM 705 CB VAL A 44 5.927 -11.032 -4.175 1.00 53.02 C ATOM 706 CG1 VAL A 44 6.982 -10.636 -5.205 1.00 2.34 C ATOM 707 CG2 VAL A 44 6.502 -12.020 -3.157 1.00 14.01 C ATOM 0 H VAL A 44 5.460 -8.236 -4.893 1.00 10.52 H new ATOM 0 HA VAL A 44 4.523 -10.092 -2.821 1.00 62.04 H new ATOM 0 HB VAL A 44 5.112 -11.531 -4.700 1.00 53.02 H new ATOM 0 HG11 VAL A 44 7.378 -11.532 -5.683 1.00 2.34 H new ATOM 0 HG12 VAL A 44 6.530 -9.992 -5.959 1.00 2.34 H new ATOM 0 HG13 VAL A 44 7.792 -10.101 -4.709 1.00 2.34 H new ATOM 0 HG21 VAL A 44 6.907 -12.887 -3.680 1.00 14.01 H new ATOM 0 HG22 VAL A 44 7.296 -11.536 -2.589 1.00 14.01 H new ATOM 0 HG23 VAL A 44 5.713 -12.342 -2.477 1.00 14.01 H new ATOM 717 N GLU A 45 6.372 -9.383 -1.299 1.00 31.52 N ATOM 718 CA GLU A 45 7.293 -8.777 -0.323 1.00 73.34 C ATOM 719 C GLU A 45 8.679 -9.463 -0.299 1.00 21.42 C ATOM 720 O GLU A 45 9.315 -9.559 0.754 1.00 51.32 O ATOM 721 CB GLU A 45 6.645 -8.820 1.072 1.00 50.32 C ATOM 722 CG GLU A 45 6.194 -10.211 1.502 1.00 14.22 C ATOM 723 CD GLU A 45 5.333 -10.190 2.756 1.00 34.55 C ATOM 724 OE1 GLU A 45 4.111 -9.962 2.639 1.00 63.11 O ATOM 725 OE2 GLU A 45 5.868 -10.419 3.859 1.00 75.13 O ATOM 0 H GLU A 45 5.698 -10.027 -0.885 1.00 31.52 H new ATOM 0 HA GLU A 45 7.469 -7.745 -0.626 1.00 73.34 H new ATOM 0 HB2 GLU A 45 7.356 -8.437 1.804 1.00 50.32 H new ATOM 0 HB3 GLU A 45 5.785 -8.151 1.083 1.00 50.32 H new ATOM 0 HG2 GLU A 45 5.633 -10.674 0.690 1.00 14.22 H new ATOM 0 HG3 GLU A 45 7.071 -10.834 1.679 1.00 14.22 H new ATOM 732 N ASN A 46 9.144 -9.924 -1.465 1.00 33.10 N ATOM 733 CA ASN A 46 10.493 -10.503 -1.618 1.00 10.44 C ATOM 734 C ASN A 46 10.724 -11.705 -0.673 1.00 61.11 C ATOM 735 O ASN A 46 11.859 -12.028 -0.319 1.00 3.12 O ATOM 736 CB ASN A 46 11.552 -9.404 -1.398 1.00 70.40 C ATOM 737 CG ASN A 46 12.943 -9.810 -1.864 1.00 65.45 C ATOM 738 OD1 ASN A 46 13.292 -9.656 -3.029 1.00 55.24 O ATOM 739 ND2 ASN A 46 13.752 -10.328 -0.963 1.00 61.21 N ATOM 0 H ASN A 46 8.602 -9.909 -2.329 1.00 33.10 H new ATOM 0 HA ASN A 46 10.585 -10.891 -2.633 1.00 10.44 H new ATOM 0 HB2 ASN A 46 11.247 -8.503 -1.929 1.00 70.40 H new ATOM 0 HB3 ASN A 46 11.590 -9.152 -0.338 1.00 70.40 H new ATOM 0 HD21 ASN A 46 14.695 -10.612 -1.228 1.00 61.21 H new ATOM 0 HD22 ASN A 46 13.435 -10.445 -0.000 1.00 61.21 H new ATOM 746 N THR A 47 9.647 -12.385 -0.287 1.00 3.02 N ATOM 747 CA THR A 47 9.755 -13.562 0.589 1.00 70.31 C ATOM 748 C THR A 47 10.112 -14.828 -0.207 1.00 13.03 C ATOM 749 O THR A 47 10.051 -14.837 -1.439 1.00 53.24 O ATOM 750 CB THR A 47 8.447 -13.813 1.380 1.00 74.54 C ATOM 751 OG1 THR A 47 8.625 -14.908 2.293 1.00 73.34 O ATOM 752 CG2 THR A 47 7.280 -14.112 0.440 1.00 43.22 C ATOM 0 H THR A 47 8.694 -12.148 -0.561 1.00 3.02 H new ATOM 0 HA THR A 47 10.557 -13.345 1.294 1.00 70.31 H new ATOM 0 HB THR A 47 8.214 -12.906 1.939 1.00 74.54 H new ATOM 0 HG1 THR A 47 7.794 -15.058 2.790 1.00 73.34 H new ATOM 0 HG21 THR A 47 6.376 -14.284 1.025 1.00 43.22 H new ATOM 0 HG22 THR A 47 7.124 -13.265 -0.228 1.00 43.22 H new ATOM 0 HG23 THR A 47 7.506 -15.001 -0.149 1.00 43.22 H new ATOM 760 N ALA A 48 10.477 -15.896 0.500 1.00 24.11 N ATOM 761 CA ALA A 48 10.868 -17.159 -0.141 1.00 74.23 C ATOM 762 C ALA A 48 9.789 -18.240 0.026 1.00 60.32 C ATOM 763 O ALA A 48 9.583 -18.748 1.128 1.00 52.20 O ATOM 764 CB ALA A 48 12.198 -17.643 0.429 1.00 12.15 C ATOM 0 H ALA A 48 10.511 -15.916 1.519 1.00 24.11 H new ATOM 0 HA ALA A 48 10.980 -16.972 -1.209 1.00 74.23 H new ATOM 0 HB1 ALA A 48 12.480 -18.580 -0.052 1.00 12.15 H new ATOM 0 HB2 ALA A 48 12.968 -16.894 0.244 1.00 12.15 H new ATOM 0 HB3 ALA A 48 12.097 -17.802 1.503 1.00 12.15 H new ATOM 770 N ASN A 49 9.111 -18.583 -1.076 1.00 31.11 N ATOM 771 CA ASN A 49 8.047 -19.602 -1.074 1.00 34.52 C ATOM 772 C ASN A 49 6.946 -19.275 -0.042 1.00 43.42 C ATOM 773 O ASN A 49 7.013 -19.701 1.112 1.00 60.13 O ATOM 774 CB ASN A 49 8.628 -21.000 -0.807 1.00 22.32 C ATOM 775 CG ASN A 49 7.593 -22.103 -0.970 1.00 20.23 C ATOM 776 OD1 ASN A 49 6.890 -22.465 -0.033 1.00 62.44 O ATOM 777 ND2 ASN A 49 7.481 -22.639 -2.168 1.00 1.15 N ATOM 0 H ASN A 49 9.281 -18.166 -1.991 1.00 31.11 H new ATOM 0 HA ASN A 49 7.591 -19.595 -2.064 1.00 34.52 H new ATOM 0 HB2 ASN A 49 9.458 -21.181 -1.490 1.00 22.32 H new ATOM 0 HB3 ASN A 49 9.034 -21.034 0.204 1.00 22.32 H new ATOM 0 HD21 ASN A 49 6.796 -23.376 -2.335 1.00 1.15 H new ATOM 0 HD22 ASN A 49 8.080 -22.317 -2.929 1.00 1.15 H new ATOM 784 N PRO A 50 5.926 -18.494 -0.441 1.00 55.44 N ATOM 785 CA PRO A 50 4.824 -18.105 0.459 1.00 2.34 C ATOM 786 C PRO A 50 4.010 -19.311 0.963 1.00 64.12 C ATOM 787 O PRO A 50 3.283 -19.943 0.194 1.00 70.24 O ATOM 788 CB PRO A 50 3.948 -17.186 -0.415 1.00 73.42 C ATOM 789 CG PRO A 50 4.825 -16.773 -1.554 1.00 73.51 C ATOM 790 CD PRO A 50 5.760 -17.925 -1.789 1.00 14.31 C ATOM 0 HA PRO A 50 5.197 -17.625 1.364 1.00 2.34 H new ATOM 0 HB2 PRO A 50 3.061 -17.710 -0.771 1.00 73.42 H new ATOM 0 HB3 PRO A 50 3.601 -16.320 0.149 1.00 73.42 H new ATOM 0 HG2 PRO A 50 4.234 -16.561 -2.445 1.00 73.51 H new ATOM 0 HG3 PRO A 50 5.377 -15.864 -1.313 1.00 73.51 H new ATOM 0 HD2 PRO A 50 5.340 -18.651 -2.485 1.00 14.31 H new ATOM 0 HD3 PRO A 50 6.711 -17.595 -2.208 1.00 14.31 H new ATOM 798 N HIS A 51 4.130 -19.626 2.255 1.00 61.21 N ATOM 799 CA HIS A 51 3.421 -20.773 2.845 1.00 0.12 C ATOM 800 C HIS A 51 1.927 -20.476 3.083 1.00 0.11 C ATOM 801 O HIS A 51 1.185 -21.334 3.557 1.00 42.31 O ATOM 802 CB HIS A 51 4.090 -21.197 4.160 1.00 11.32 C ATOM 803 CG HIS A 51 5.498 -21.684 3.991 1.00 13.40 C ATOM 804 ND1 HIS A 51 6.599 -20.949 4.365 1.00 45.25 N ATOM 805 CD2 HIS A 51 5.980 -22.853 3.504 1.00 74.00 C ATOM 806 CE1 HIS A 51 7.694 -21.638 4.116 1.00 21.24 C ATOM 807 NE2 HIS A 51 7.349 -22.797 3.594 1.00 20.10 N ATOM 0 H HIS A 51 4.709 -19.106 2.915 1.00 61.21 H new ATOM 0 HA HIS A 51 3.482 -21.591 2.127 1.00 0.12 H new ATOM 0 HB2 HIS A 51 4.088 -20.351 4.848 1.00 11.32 H new ATOM 0 HB3 HIS A 51 3.495 -21.985 4.622 1.00 11.32 H new ATOM 0 HD2 HIS A 51 5.396 -23.675 3.117 1.00 74.00 H new ATOM 0 HE1 HIS A 51 8.704 -21.308 4.308 1.00 21.24 H new ATOM 0 HE2 HIS A 51 7.993 -23.533 3.304 1.00 20.10 H new ATOM 816 N PHE A 52 1.498 -19.259 2.758 1.00 41.31 N ATOM 817 CA PHE A 52 0.079 -18.881 2.842 1.00 2.44 C ATOM 818 C PHE A 52 -0.616 -19.030 1.471 1.00 23.00 C ATOM 819 O PHE A 52 -1.711 -18.507 1.251 1.00 14.43 O ATOM 820 CB PHE A 52 -0.044 -17.436 3.364 1.00 1.33 C ATOM 821 CG PHE A 52 -1.459 -16.998 3.670 1.00 72.21 C ATOM 822 CD1 PHE A 52 -2.196 -17.640 4.655 1.00 54.12 C ATOM 823 CD2 PHE A 52 -2.055 -15.955 2.970 1.00 52.14 C ATOM 824 CE1 PHE A 52 -3.489 -17.246 4.943 1.00 61.24 C ATOM 825 CE2 PHE A 52 -3.348 -15.559 3.256 1.00 22.11 C ATOM 826 CZ PHE A 52 -4.067 -16.207 4.239 1.00 63.22 C ATOM 0 H PHE A 52 2.111 -18.511 2.432 1.00 41.31 H new ATOM 0 HA PHE A 52 -0.421 -19.553 3.539 1.00 2.44 H new ATOM 0 HB2 PHE A 52 0.557 -17.337 4.268 1.00 1.33 H new ATOM 0 HB3 PHE A 52 0.381 -16.758 2.623 1.00 1.33 H new ATOM 0 HD1 PHE A 52 -1.753 -18.458 5.204 1.00 54.12 H new ATOM 0 HD2 PHE A 52 -1.501 -15.448 2.194 1.00 52.14 H new ATOM 0 HE1 PHE A 52 -4.047 -17.750 5.718 1.00 61.24 H new ATOM 0 HE2 PHE A 52 -3.796 -14.742 2.710 1.00 22.11 H new ATOM 0 HZ PHE A 52 -5.080 -15.903 4.458 1.00 63.22 H new ATOM 836 N VAL A 53 0.024 -19.774 0.559 1.00 52.55 N ATOM 837 CA VAL A 53 -0.507 -20.006 -0.799 1.00 13.54 C ATOM 838 C VAL A 53 -0.630 -18.685 -1.588 1.00 13.45 C ATOM 839 O VAL A 53 -1.436 -18.554 -2.510 1.00 50.02 O ATOM 840 CB VAL A 53 -1.879 -20.747 -0.754 1.00 13.13 C ATOM 841 CG1 VAL A 53 -2.296 -21.251 -2.140 1.00 32.30 C ATOM 842 CG2 VAL A 53 -1.829 -21.908 0.237 1.00 41.42 C ATOM 0 H VAL A 53 0.919 -20.231 0.736 1.00 52.55 H new ATOM 0 HA VAL A 53 0.206 -20.646 -1.319 1.00 13.54 H new ATOM 0 HB VAL A 53 -2.628 -20.028 -0.421 1.00 13.13 H new ATOM 0 HG11 VAL A 53 -3.256 -21.762 -2.068 1.00 32.30 H new ATOM 0 HG12 VAL A 53 -2.385 -20.406 -2.823 1.00 32.30 H new ATOM 0 HG13 VAL A 53 -1.544 -21.944 -2.516 1.00 32.30 H new ATOM 0 HG21 VAL A 53 -2.795 -22.413 0.255 1.00 41.42 H new ATOM 0 HG22 VAL A 53 -1.056 -22.614 -0.068 1.00 41.42 H new ATOM 0 HG23 VAL A 53 -1.600 -21.527 1.232 1.00 41.42 H new ATOM 852 N ARG A 54 0.204 -17.704 -1.240 1.00 33.34 N ATOM 853 CA ARG A 54 0.193 -16.409 -1.930 1.00 41.31 C ATOM 854 C ARG A 54 0.913 -16.481 -3.288 1.00 63.04 C ATOM 855 O ARG A 54 2.023 -15.971 -3.449 1.00 73.33 O ATOM 856 CB ARG A 54 0.819 -15.311 -1.054 1.00 33.33 C ATOM 857 CG ARG A 54 0.025 -15.005 0.210 1.00 75.04 C ATOM 858 CD ARG A 54 0.642 -13.860 1.010 1.00 62.21 C ATOM 859 NE ARG A 54 1.967 -14.193 1.530 1.00 44.12 N ATOM 860 CZ ARG A 54 2.798 -13.319 2.036 1.00 2.25 C ATOM 861 NH1 ARG A 54 2.477 -12.066 2.096 1.00 34.34 N ATOM 862 NH2 ARG A 54 3.945 -13.708 2.497 1.00 43.21 N ATOM 0 H ARG A 54 0.892 -17.778 -0.490 1.00 33.34 H new ATOM 0 HA ARG A 54 -0.850 -16.154 -2.116 1.00 41.31 H new ATOM 0 HB2 ARG A 54 1.828 -15.614 -0.774 1.00 33.33 H new ATOM 0 HB3 ARG A 54 0.912 -14.399 -1.643 1.00 33.33 H new ATOM 0 HG2 ARG A 54 -1.000 -14.748 -0.059 1.00 75.04 H new ATOM 0 HG3 ARG A 54 -0.023 -15.898 0.833 1.00 75.04 H new ATOM 0 HD2 ARG A 54 0.715 -12.976 0.376 1.00 62.21 H new ATOM 0 HD3 ARG A 54 -0.017 -13.604 1.840 1.00 62.21 H new ATOM 0 HE ARG A 54 2.262 -15.169 1.496 1.00 44.12 H new ATOM 0 HH11 ARG A 54 1.571 -11.754 1.747 1.00 34.34 H new ATOM 0 HH12 ARG A 54 3.131 -11.390 2.492 1.00 34.34 H new ATOM 0 HH21 ARG A 54 4.199 -14.695 2.465 1.00 43.21 H new ATOM 0 HH22 ARG A 54 4.594 -13.027 2.892 1.00 43.21 H new ATOM 876 N ARG A 55 0.275 -17.132 -4.258 1.00 34.35 N ATOM 877 CA ARG A 55 0.800 -17.211 -5.625 1.00 63.34 C ATOM 878 C ARG A 55 0.643 -15.855 -6.343 1.00 23.23 C ATOM 879 O ARG A 55 -0.255 -15.669 -7.167 1.00 4.15 O ATOM 880 CB ARG A 55 0.080 -18.337 -6.390 1.00 62.42 C ATOM 881 CG ARG A 55 0.439 -18.437 -7.870 1.00 64.44 C ATOM 882 CD ARG A 55 -0.270 -19.610 -8.535 1.00 51.33 C ATOM 883 NE ARG A 55 -0.229 -19.525 -9.992 1.00 63.20 N ATOM 884 CZ ARG A 55 -0.385 -20.542 -10.796 1.00 3.22 C ATOM 885 NH1 ARG A 55 -0.480 -21.749 -10.335 1.00 2.12 N ATOM 886 NH2 ARG A 55 -0.418 -20.348 -12.071 1.00 72.20 N ATOM 0 H ARG A 55 -0.613 -17.616 -4.124 1.00 34.35 H new ATOM 0 HA ARG A 55 1.865 -17.443 -5.590 1.00 63.34 H new ATOM 0 HB2 ARG A 55 0.310 -19.288 -5.910 1.00 62.42 H new ATOM 0 HB3 ARG A 55 -0.996 -18.187 -6.301 1.00 62.42 H new ATOM 0 HG2 ARG A 55 0.166 -17.511 -8.376 1.00 64.44 H new ATOM 0 HG3 ARG A 55 1.517 -18.553 -7.977 1.00 64.44 H new ATOM 0 HD2 ARG A 55 0.194 -20.542 -8.214 1.00 51.33 H new ATOM 0 HD3 ARG A 55 -1.308 -19.640 -8.204 1.00 51.33 H new ATOM 0 HE ARG A 55 -0.068 -18.609 -10.410 1.00 63.20 H new ATOM 0 HH11 ARG A 55 -0.433 -21.916 -9.330 1.00 2.12 H new ATOM 0 HH12 ARG A 55 -0.602 -22.532 -10.977 1.00 2.12 H new ATOM 0 HH21 ARG A 55 -0.322 -19.404 -12.446 1.00 72.20 H new ATOM 0 HH22 ARG A 55 -0.540 -21.138 -12.704 1.00 72.20 H new ATOM 900 N ASN A 56 1.503 -14.899 -5.974 1.00 34.31 N ATOM 901 CA ASN A 56 1.453 -13.525 -6.510 1.00 40.24 C ATOM 902 C ASN A 56 0.067 -12.874 -6.332 1.00 1.32 C ATOM 903 O ASN A 56 -0.245 -11.871 -6.976 1.00 44.44 O ATOM 904 CB ASN A 56 1.854 -13.505 -7.991 1.00 41.30 C ATOM 905 CG ASN A 56 3.320 -13.849 -8.203 1.00 11.04 C ATOM 906 OD1 ASN A 56 3.913 -14.609 -7.445 1.00 21.43 O ATOM 907 ND2 ASN A 56 3.918 -13.294 -9.235 1.00 34.14 N ATOM 0 H ASN A 56 2.252 -15.050 -5.298 1.00 34.31 H new ATOM 0 HA ASN A 56 2.168 -12.938 -5.934 1.00 40.24 H new ATOM 0 HB2 ASN A 56 1.235 -14.214 -8.541 1.00 41.30 H new ATOM 0 HB3 ASN A 56 1.653 -12.517 -8.405 1.00 41.30 H new ATOM 0 HD21 ASN A 56 4.901 -13.492 -9.422 1.00 34.14 H new ATOM 0 HD22 ASN A 56 3.399 -12.666 -9.848 1.00 34.14 H new ATOM 914 N ILE A 57 -0.751 -13.439 -5.446 1.00 53.23 N ATOM 915 CA ILE A 57 -2.103 -12.930 -5.203 1.00 11.14 C ATOM 916 C ILE A 57 -2.128 -11.916 -4.049 1.00 11.44 C ATOM 917 O ILE A 57 -1.666 -12.193 -2.938 1.00 42.42 O ATOM 918 CB ILE A 57 -3.101 -14.085 -4.914 1.00 54.01 C ATOM 919 CG1 ILE A 57 -4.507 -13.529 -4.620 1.00 3.21 C ATOM 920 CG2 ILE A 57 -2.609 -14.966 -3.766 1.00 62.20 C ATOM 921 CD1 ILE A 57 -5.550 -14.598 -4.362 1.00 12.31 C ATOM 0 H ILE A 57 -0.502 -14.252 -4.882 1.00 53.23 H new ATOM 0 HA ILE A 57 -2.415 -12.421 -6.115 1.00 11.14 H new ATOM 0 HB ILE A 57 -3.162 -14.708 -5.806 1.00 54.01 H new ATOM 0 HG12 ILE A 57 -4.453 -12.872 -3.752 1.00 3.21 H new ATOM 0 HG13 ILE A 57 -4.829 -12.918 -5.463 1.00 3.21 H new ATOM 0 HG21 ILE A 57 -3.328 -15.765 -3.587 1.00 62.20 H new ATOM 0 HG22 ILE A 57 -1.643 -15.398 -4.027 1.00 62.20 H new ATOM 0 HG23 ILE A 57 -2.504 -14.363 -2.864 1.00 62.20 H new ATOM 0 HD11 ILE A 57 -6.513 -14.127 -4.163 1.00 12.31 H new ATOM 0 HD12 ILE A 57 -5.635 -15.242 -5.237 1.00 12.31 H new ATOM 0 HD13 ILE A 57 -5.253 -15.195 -3.500 1.00 12.31 H new ATOM 933 N ILE A 58 -2.664 -10.734 -4.331 1.00 31.54 N ATOM 934 CA ILE A 58 -2.772 -9.666 -3.335 1.00 33.13 C ATOM 935 C ILE A 58 -3.782 -10.035 -2.227 1.00 72.14 C ATOM 936 O ILE A 58 -4.985 -10.162 -2.472 1.00 74.03 O ATOM 937 CB ILE A 58 -3.169 -8.329 -4.015 1.00 4.20 C ATOM 938 CG1 ILE A 58 -2.113 -7.952 -5.075 1.00 41.14 C ATOM 939 CG2 ILE A 58 -3.337 -7.213 -2.981 1.00 44.21 C ATOM 940 CD1 ILE A 58 -2.435 -6.692 -5.850 1.00 71.44 C ATOM 0 H ILE A 58 -3.034 -10.487 -5.249 1.00 31.54 H new ATOM 0 HA ILE A 58 -1.796 -9.541 -2.867 1.00 33.13 H new ATOM 0 HB ILE A 58 -4.132 -8.459 -4.510 1.00 4.20 H new ATOM 0 HG12 ILE A 58 -1.149 -7.826 -4.582 1.00 41.14 H new ATOM 0 HG13 ILE A 58 -2.007 -8.780 -5.776 1.00 41.14 H new ATOM 0 HG21 ILE A 58 -3.615 -6.288 -3.486 1.00 44.21 H new ATOM 0 HG22 ILE A 58 -4.118 -7.488 -2.272 1.00 44.21 H new ATOM 0 HG23 ILE A 58 -2.398 -7.067 -2.448 1.00 44.21 H new ATOM 0 HD11 ILE A 58 -1.644 -6.498 -6.574 1.00 71.44 H new ATOM 0 HD12 ILE A 58 -3.382 -6.819 -6.374 1.00 71.44 H new ATOM 0 HD13 ILE A 58 -2.511 -5.851 -5.161 1.00 71.44 H new ATOM 952 N THR A 59 -3.276 -10.218 -1.005 1.00 23.21 N ATOM 953 CA THR A 59 -4.095 -10.695 0.125 1.00 52.25 C ATOM 954 C THR A 59 -3.833 -9.892 1.407 1.00 51.31 C ATOM 955 O THR A 59 -2.792 -9.253 1.552 1.00 14.01 O ATOM 956 CB THR A 59 -3.820 -12.191 0.425 1.00 53.24 C ATOM 957 OG1 THR A 59 -2.424 -12.388 0.702 1.00 14.13 O ATOM 958 CG2 THR A 59 -4.231 -13.073 -0.747 1.00 33.14 C ATOM 0 H THR A 59 -2.300 -10.044 -0.767 1.00 23.21 H new ATOM 0 HA THR A 59 -5.134 -10.559 -0.177 1.00 52.25 H new ATOM 0 HB THR A 59 -4.413 -12.472 1.295 1.00 53.24 H new ATOM 0 HG1 THR A 59 -2.284 -13.295 1.046 1.00 14.13 H new ATOM 0 HG21 THR A 59 -4.026 -14.116 -0.507 1.00 33.14 H new ATOM 0 HG22 THR A 59 -5.296 -12.948 -0.941 1.00 33.14 H new ATOM 0 HG23 THR A 59 -3.665 -12.787 -1.634 1.00 33.14 H new ATOM 966 N ARG A 60 -4.786 -9.947 2.340 1.00 52.55 N ATOM 967 CA ARG A 60 -4.664 -9.256 3.633 1.00 51.15 C ATOM 968 C ARG A 60 -3.367 -9.646 4.368 1.00 1.43 C ATOM 969 O ARG A 60 -3.070 -10.833 4.540 1.00 44.03 O ATOM 970 CB ARG A 60 -5.869 -9.597 4.523 1.00 14.05 C ATOM 971 CG ARG A 60 -5.821 -8.950 5.909 1.00 41.54 C ATOM 972 CD ARG A 60 -6.554 -9.794 6.945 1.00 62.31 C ATOM 973 NE ARG A 60 -5.954 -11.124 7.068 1.00 65.02 N ATOM 974 CZ ARG A 60 -6.630 -12.235 7.179 1.00 14.52 C ATOM 975 NH1 ARG A 60 -7.920 -12.216 7.273 1.00 0.13 N ATOM 976 NH2 ARG A 60 -6.003 -13.363 7.225 1.00 61.35 N ATOM 0 H ARG A 60 -5.657 -10.465 2.226 1.00 52.55 H new ATOM 0 HA ARG A 60 -4.635 -8.185 3.432 1.00 51.15 H new ATOM 0 HB2 ARG A 60 -6.782 -9.282 4.018 1.00 14.05 H new ATOM 0 HB3 ARG A 60 -5.927 -10.679 4.640 1.00 14.05 H new ATOM 0 HG2 ARG A 60 -4.783 -8.818 6.214 1.00 41.54 H new ATOM 0 HG3 ARG A 60 -6.269 -7.957 5.864 1.00 41.54 H new ATOM 0 HD2 ARG A 60 -6.529 -9.290 7.911 1.00 62.31 H new ATOM 0 HD3 ARG A 60 -7.602 -9.890 6.663 1.00 62.31 H new ATOM 0 HE ARG A 60 -4.936 -11.187 7.067 1.00 65.02 H new ATOM 0 HH11 ARG A 60 -8.419 -11.327 7.261 1.00 0.13 H new ATOM 0 HH12 ARG A 60 -8.438 -13.090 7.359 1.00 0.13 H new ATOM 0 HH21 ARG A 60 -4.984 -13.383 7.175 1.00 61.35 H new ATOM 0 HH22 ARG A 60 -6.526 -14.234 7.312 1.00 61.35 H new ATOM 990 N GLY A 61 -2.606 -8.645 4.805 1.00 3.24 N ATOM 991 CA GLY A 61 -1.368 -8.901 5.535 1.00 1.31 C ATOM 992 C GLY A 61 -0.136 -8.969 4.637 1.00 11.12 C ATOM 993 O GLY A 61 0.998 -8.981 5.126 1.00 23.12 O ATOM 0 H GLY A 61 -2.823 -7.658 4.668 1.00 3.24 H new ATOM 0 HA2 GLY A 61 -1.224 -8.116 6.277 1.00 1.31 H new ATOM 0 HA3 GLY A 61 -1.464 -9.841 6.079 1.00 1.31 H new ATOM 997 N ALA A 62 -0.354 -9.027 3.324 1.00 63.14 N ATOM 998 CA ALA A 62 0.749 -9.051 2.357 1.00 0.43 C ATOM 999 C ALA A 62 1.295 -7.643 2.108 1.00 31.21 C ATOM 1000 O ALA A 62 0.549 -6.663 2.130 1.00 4.45 O ATOM 1001 CB ALA A 62 0.293 -9.683 1.044 1.00 51.12 C ATOM 0 H ALA A 62 -1.283 -9.058 2.903 1.00 63.14 H new ATOM 0 HA ALA A 62 1.552 -9.656 2.778 1.00 0.43 H new ATOM 0 HB1 ALA A 62 1.123 -9.693 0.338 1.00 51.12 H new ATOM 0 HB2 ALA A 62 -0.039 -10.705 1.228 1.00 51.12 H new ATOM 0 HB3 ALA A 62 -0.531 -9.103 0.628 1.00 51.12 H new ATOM 1007 N VAL A 63 2.599 -7.543 1.887 1.00 74.42 N ATOM 1008 CA VAL A 63 3.244 -6.253 1.642 1.00 11.33 C ATOM 1009 C VAL A 63 3.692 -6.113 0.176 1.00 4.43 C ATOM 1010 O VAL A 63 4.428 -6.952 -0.346 1.00 23.30 O ATOM 1011 CB VAL A 63 4.463 -6.057 2.577 1.00 1.52 C ATOM 1012 CG1 VAL A 63 5.106 -4.687 2.358 1.00 61.20 C ATOM 1013 CG2 VAL A 63 4.050 -6.241 4.038 1.00 4.02 C ATOM 0 H VAL A 63 3.235 -8.340 1.872 1.00 74.42 H new ATOM 0 HA VAL A 63 2.504 -5.481 1.853 1.00 11.33 H new ATOM 0 HB VAL A 63 5.207 -6.815 2.334 1.00 1.52 H new ATOM 0 HG11 VAL A 63 5.959 -4.575 3.027 1.00 61.20 H new ATOM 0 HG12 VAL A 63 5.441 -4.604 1.324 1.00 61.20 H new ATOM 0 HG13 VAL A 63 4.376 -3.905 2.567 1.00 61.20 H new ATOM 0 HG21 VAL A 63 4.918 -6.100 4.682 1.00 4.02 H new ATOM 0 HG22 VAL A 63 3.285 -5.508 4.295 1.00 4.02 H new ATOM 0 HG23 VAL A 63 3.652 -7.246 4.180 1.00 4.02 H new ATOM 1023 N VAL A 64 3.236 -5.049 -0.482 1.00 52.12 N ATOM 1024 CA VAL A 64 3.610 -4.771 -1.874 1.00 11.33 C ATOM 1025 C VAL A 64 4.583 -3.583 -1.967 1.00 11.02 C ATOM 1026 O VAL A 64 4.619 -2.722 -1.086 1.00 45.45 O ATOM 1027 CB VAL A 64 2.361 -4.484 -2.750 1.00 13.31 C ATOM 1028 CG1 VAL A 64 1.423 -5.690 -2.766 1.00 64.33 C ATOM 1029 CG2 VAL A 64 1.629 -3.236 -2.263 1.00 52.00 C ATOM 0 H VAL A 64 2.604 -4.360 -0.074 1.00 52.12 H new ATOM 0 HA VAL A 64 4.107 -5.665 -2.251 1.00 11.33 H new ATOM 0 HB VAL A 64 2.699 -4.301 -3.770 1.00 13.31 H new ATOM 0 HG11 VAL A 64 0.554 -5.467 -3.386 1.00 64.33 H new ATOM 0 HG12 VAL A 64 1.948 -6.554 -3.174 1.00 64.33 H new ATOM 0 HG13 VAL A 64 1.097 -5.911 -1.750 1.00 64.33 H new ATOM 0 HG21 VAL A 64 0.758 -3.056 -2.893 1.00 52.00 H new ATOM 0 HG22 VAL A 64 1.307 -3.382 -1.232 1.00 52.00 H new ATOM 0 HG23 VAL A 64 2.299 -2.378 -2.316 1.00 52.00 H new ATOM 1039 N GLU A 65 5.377 -3.548 -3.034 1.00 55.42 N ATOM 1040 CA GLU A 65 6.330 -2.453 -3.260 1.00 5.04 C ATOM 1041 C GLU A 65 5.714 -1.371 -4.164 1.00 41.01 C ATOM 1042 O GLU A 65 5.124 -1.686 -5.198 1.00 61.24 O ATOM 1043 CB GLU A 65 7.619 -3.003 -3.894 1.00 43.01 C ATOM 1044 CG GLU A 65 8.711 -1.955 -4.108 1.00 12.23 C ATOM 1045 CD GLU A 65 9.192 -1.326 -2.808 1.00 31.35 C ATOM 1046 OE1 GLU A 65 10.023 -1.946 -2.109 1.00 3.32 O ATOM 1047 OE2 GLU A 65 8.743 -0.207 -2.481 1.00 4.42 O ATOM 0 H GLU A 65 5.383 -4.265 -3.760 1.00 55.42 H new ATOM 0 HA GLU A 65 6.570 -1.999 -2.299 1.00 5.04 H new ATOM 0 HB2 GLU A 65 8.013 -3.796 -3.259 1.00 43.01 H new ATOM 0 HB3 GLU A 65 7.373 -3.456 -4.854 1.00 43.01 H new ATOM 0 HG2 GLU A 65 9.557 -2.418 -4.616 1.00 12.23 H new ATOM 0 HG3 GLU A 65 8.333 -1.173 -4.766 1.00 12.23 H new ATOM 1054 N THR A 66 5.854 -0.098 -3.780 1.00 4.42 N ATOM 1055 CA THR A 66 5.247 1.020 -4.534 1.00 2.43 C ATOM 1056 C THR A 66 6.221 2.200 -4.680 1.00 24.41 C ATOM 1057 O THR A 66 7.344 2.159 -4.182 1.00 20.21 O ATOM 1058 CB THR A 66 3.963 1.552 -3.849 1.00 21.35 C ATOM 1059 OG1 THR A 66 4.293 2.196 -2.608 1.00 65.22 O ATOM 1060 CG2 THR A 66 2.961 0.430 -3.595 1.00 63.34 C ATOM 0 H THR A 66 6.380 0.190 -2.955 1.00 4.42 H new ATOM 0 HA THR A 66 5.000 0.614 -5.515 1.00 2.43 H new ATOM 0 HB THR A 66 3.503 2.274 -4.523 1.00 21.35 H new ATOM 0 HG1 THR A 66 4.872 1.609 -2.078 1.00 65.22 H new ATOM 0 HG21 THR A 66 2.072 0.838 -3.114 1.00 63.34 H new ATOM 0 HG22 THR A 66 2.682 -0.030 -4.543 1.00 63.34 H new ATOM 0 HG23 THR A 66 3.412 -0.321 -2.947 1.00 63.34 H new ATOM 1068 N ASN A 67 5.780 3.263 -5.363 1.00 25.31 N ATOM 1069 CA ASN A 67 6.606 4.473 -5.521 1.00 1.01 C ATOM 1070 C ASN A 67 6.776 5.228 -4.187 1.00 13.53 C ATOM 1071 O ASN A 67 7.648 6.090 -4.057 1.00 65.34 O ATOM 1072 CB ASN A 67 6.011 5.400 -6.593 1.00 64.12 C ATOM 1073 CG ASN A 67 4.633 5.927 -6.228 1.00 74.41 C ATOM 1074 OD1 ASN A 67 3.619 5.306 -6.523 1.00 22.23 O ATOM 1075 ND2 ASN A 67 4.586 7.083 -5.598 1.00 53.52 N ATOM 0 H ASN A 67 4.866 3.314 -5.812 1.00 25.31 H new ATOM 0 HA ASN A 67 7.596 4.152 -5.846 1.00 1.01 H new ATOM 0 HB2 ASN A 67 6.685 6.242 -6.751 1.00 64.12 H new ATOM 0 HB3 ASN A 67 5.948 4.860 -7.538 1.00 64.12 H new ATOM 0 HD21 ASN A 67 3.686 7.487 -5.341 1.00 53.52 H new ATOM 0 HD22 ASN A 67 5.450 7.574 -5.367 1.00 53.52 H new ATOM 1082 N LEU A 68 5.939 4.899 -3.201 1.00 53.54 N ATOM 1083 CA LEU A 68 6.025 5.504 -1.863 1.00 14.52 C ATOM 1084 C LEU A 68 6.771 4.592 -0.880 1.00 40.52 C ATOM 1085 O LEU A 68 7.167 5.026 0.205 1.00 0.35 O ATOM 1086 CB LEU A 68 4.618 5.806 -1.324 1.00 63.44 C ATOM 1087 CG LEU A 68 3.818 6.843 -2.128 1.00 31.24 C ATOM 1088 CD1 LEU A 68 2.427 7.036 -1.530 1.00 73.01 C ATOM 1089 CD2 LEU A 68 4.563 8.173 -2.186 1.00 13.54 C ATOM 0 H LEU A 68 5.190 4.214 -3.301 1.00 53.54 H new ATOM 0 HA LEU A 68 6.586 6.434 -1.957 1.00 14.52 H new ATOM 0 HB2 LEU A 68 4.050 4.876 -1.295 1.00 63.44 H new ATOM 0 HB3 LEU A 68 4.708 6.157 -0.296 1.00 63.44 H new ATOM 0 HG LEU A 68 3.705 6.468 -3.145 1.00 31.24 H new ATOM 0 HD11 LEU A 68 1.879 7.774 -2.115 1.00 73.01 H new ATOM 0 HD12 LEU A 68 1.889 6.088 -1.546 1.00 73.01 H new ATOM 0 HD13 LEU A 68 2.518 7.384 -0.501 1.00 73.01 H new ATOM 0 HD21 LEU A 68 3.979 8.892 -2.760 1.00 13.54 H new ATOM 0 HD22 LEU A 68 4.712 8.551 -1.175 1.00 13.54 H new ATOM 0 HD23 LEU A 68 5.531 8.027 -2.665 1.00 13.54 H new ATOM 1101 N GLY A 69 6.962 3.330 -1.266 1.00 21.12 N ATOM 1102 CA GLY A 69 7.623 2.360 -0.396 1.00 53.44 C ATOM 1103 C GLY A 69 6.809 1.085 -0.210 1.00 4.11 C ATOM 1104 O GLY A 69 6.024 0.710 -1.083 1.00 42.21 O ATOM 0 H GLY A 69 6.670 2.958 -2.170 1.00 21.12 H new ATOM 0 HA2 GLY A 69 8.597 2.106 -0.815 1.00 53.44 H new ATOM 0 HA3 GLY A 69 7.804 2.816 0.577 1.00 53.44 H new ATOM 1108 N ASN A 70 6.982 0.418 0.931 1.00 45.20 N ATOM 1109 CA ASN A 70 6.266 -0.832 1.213 1.00 61.41 C ATOM 1110 C ASN A 70 4.854 -0.553 1.754 1.00 75.33 C ATOM 1111 O ASN A 70 4.683 0.224 2.687 1.00 50.21 O ATOM 1112 CB ASN A 70 7.058 -1.673 2.220 1.00 70.31 C ATOM 1113 CG ASN A 70 8.471 -1.980 1.749 1.00 42.13 C ATOM 1114 OD1 ASN A 70 9.377 -2.150 2.556 1.00 11.15 O ATOM 1115 ND2 ASN A 70 8.671 -2.051 0.448 1.00 25.13 N ATOM 0 H ASN A 70 7.610 0.720 1.676 1.00 45.20 H new ATOM 0 HA ASN A 70 6.167 -1.386 0.279 1.00 61.41 H new ATOM 0 HB2 ASN A 70 7.104 -1.144 3.172 1.00 70.31 H new ATOM 0 HB3 ASN A 70 6.529 -2.609 2.401 1.00 70.31 H new ATOM 0 HD21 ASN A 70 9.603 -2.253 0.086 1.00 25.13 H new ATOM 0 HD22 ASN A 70 7.894 -1.904 -0.196 1.00 25.13 H new ATOM 1122 N VAL A 71 3.843 -1.184 1.162 1.00 74.33 N ATOM 1123 CA VAL A 71 2.451 -0.981 1.584 1.00 23.40 C ATOM 1124 C VAL A 71 1.786 -2.308 1.987 1.00 35.31 C ATOM 1125 O VAL A 71 1.900 -3.309 1.282 1.00 60.15 O ATOM 1126 CB VAL A 71 1.621 -0.310 0.460 1.00 45.52 C ATOM 1127 CG1 VAL A 71 0.191 -0.027 0.923 1.00 33.30 C ATOM 1128 CG2 VAL A 71 2.304 0.972 -0.019 1.00 60.24 C ATOM 0 H VAL A 71 3.957 -1.840 0.389 1.00 74.33 H new ATOM 0 HA VAL A 71 2.474 -0.323 2.453 1.00 23.40 H new ATOM 0 HB VAL A 71 1.566 -1.003 -0.379 1.00 45.52 H new ATOM 0 HG11 VAL A 71 -0.367 0.444 0.114 1.00 33.30 H new ATOM 0 HG12 VAL A 71 -0.293 -0.963 1.201 1.00 33.30 H new ATOM 0 HG13 VAL A 71 0.213 0.640 1.785 1.00 33.30 H new ATOM 0 HG21 VAL A 71 1.707 1.429 -0.808 1.00 60.24 H new ATOM 0 HG22 VAL A 71 2.398 1.668 0.815 1.00 60.24 H new ATOM 0 HG23 VAL A 71 3.295 0.734 -0.406 1.00 60.24 H new ATOM 1138 N ARG A 72 1.094 -2.307 3.124 1.00 41.33 N ATOM 1139 CA ARG A 72 0.429 -3.514 3.631 1.00 61.43 C ATOM 1140 C ARG A 72 -1.045 -3.576 3.200 1.00 54.32 C ATOM 1141 O ARG A 72 -1.829 -2.684 3.520 1.00 3.44 O ATOM 1142 CB ARG A 72 0.518 -3.557 5.161 1.00 4.21 C ATOM 1143 CG ARG A 72 -0.136 -4.788 5.783 1.00 12.44 C ATOM 1144 CD ARG A 72 0.127 -4.870 7.283 1.00 13.23 C ATOM 1145 NE ARG A 72 1.538 -5.121 7.577 1.00 43.22 N ATOM 1146 CZ ARG A 72 2.130 -4.776 8.687 1.00 41.00 C ATOM 1147 NH1 ARG A 72 1.493 -4.110 9.595 1.00 72.34 N ATOM 1148 NH2 ARG A 72 3.369 -5.093 8.879 1.00 50.12 N ATOM 0 H ARG A 72 0.977 -1.484 3.716 1.00 41.33 H new ATOM 0 HA ARG A 72 0.942 -4.376 3.205 1.00 61.43 H new ATOM 0 HB2 ARG A 72 1.567 -3.527 5.455 1.00 4.21 H new ATOM 0 HB3 ARG A 72 0.047 -2.662 5.568 1.00 4.21 H new ATOM 0 HG2 ARG A 72 -1.211 -4.759 5.603 1.00 12.44 H new ATOM 0 HG3 ARG A 72 0.244 -5.687 5.297 1.00 12.44 H new ATOM 0 HD2 ARG A 72 -0.182 -3.939 7.757 1.00 13.23 H new ATOM 0 HD3 ARG A 72 -0.481 -5.665 7.715 1.00 13.23 H new ATOM 0 HE ARG A 72 2.095 -5.597 6.868 1.00 43.22 H new ATOM 0 HH11 ARG A 72 0.518 -3.850 9.447 1.00 72.34 H new ATOM 0 HH12 ARG A 72 1.966 -3.845 10.459 1.00 72.34 H new ATOM 0 HH21 ARG A 72 3.880 -5.611 8.164 1.00 50.12 H new ATOM 0 HH22 ARG A 72 3.836 -4.825 9.746 1.00 50.12 H new ATOM 1162 N VAL A 73 -1.409 -4.639 2.485 1.00 75.32 N ATOM 1163 CA VAL A 73 -2.793 -4.853 2.044 1.00 54.53 C ATOM 1164 C VAL A 73 -3.727 -5.092 3.246 1.00 4.41 C ATOM 1165 O VAL A 73 -3.640 -6.124 3.916 1.00 31.22 O ATOM 1166 CB VAL A 73 -2.893 -6.068 1.087 1.00 45.25 C ATOM 1167 CG1 VAL A 73 -4.308 -6.210 0.529 1.00 63.14 C ATOM 1168 CG2 VAL A 73 -1.867 -5.968 -0.041 1.00 62.13 C ATOM 0 H VAL A 73 -0.762 -5.372 2.195 1.00 75.32 H new ATOM 0 HA VAL A 73 -3.102 -3.950 1.517 1.00 54.53 H new ATOM 0 HB VAL A 73 -2.667 -6.965 1.663 1.00 45.25 H new ATOM 0 HG11 VAL A 73 -4.351 -7.070 -0.139 1.00 63.14 H new ATOM 0 HG12 VAL A 73 -5.010 -6.353 1.350 1.00 63.14 H new ATOM 0 HG13 VAL A 73 -4.574 -5.308 -0.022 1.00 63.14 H new ATOM 0 HG21 VAL A 73 -1.961 -6.834 -0.696 1.00 62.13 H new ATOM 0 HG22 VAL A 73 -2.044 -5.058 -0.614 1.00 62.13 H new ATOM 0 HG23 VAL A 73 -0.863 -5.940 0.382 1.00 62.13 H new ATOM 1178 N THR A 74 -4.617 -4.139 3.515 1.00 35.12 N ATOM 1179 CA THR A 74 -5.536 -4.245 4.659 1.00 44.43 C ATOM 1180 C THR A 74 -6.860 -4.909 4.266 1.00 13.42 C ATOM 1181 O THR A 74 -7.420 -5.701 5.026 1.00 44.43 O ATOM 1182 CB THR A 74 -5.846 -2.860 5.279 1.00 32.42 C ATOM 1183 OG1 THR A 74 -6.601 -2.053 4.356 1.00 43.01 O ATOM 1184 CG2 THR A 74 -4.561 -2.132 5.664 1.00 50.42 C ATOM 0 H THR A 74 -4.725 -3.288 2.964 1.00 35.12 H new ATOM 0 HA THR A 74 -5.025 -4.865 5.396 1.00 44.43 H new ATOM 0 HB THR A 74 -6.437 -3.024 6.180 1.00 32.42 H new ATOM 0 HG1 THR A 74 -6.149 -2.041 3.486 1.00 43.01 H new ATOM 0 HG21 THR A 74 -4.808 -1.162 6.097 1.00 50.42 H new ATOM 0 HG22 THR A 74 -4.011 -2.726 6.394 1.00 50.42 H new ATOM 0 HG23 THR A 74 -3.945 -1.987 4.776 1.00 50.42 H new ATOM 1192 N SER A 75 -7.357 -4.577 3.077 1.00 41.10 N ATOM 1193 CA SER A 75 -8.633 -5.118 2.584 1.00 40.33 C ATOM 1194 C SER A 75 -8.458 -5.937 1.301 1.00 52.32 C ATOM 1195 O SER A 75 -7.450 -5.824 0.604 1.00 74.14 O ATOM 1196 CB SER A 75 -9.630 -3.984 2.326 1.00 70.34 C ATOM 1197 OG SER A 75 -9.987 -3.329 3.533 1.00 41.25 O ATOM 0 H SER A 75 -6.898 -3.934 2.431 1.00 41.10 H new ATOM 0 HA SER A 75 -9.016 -5.781 3.360 1.00 40.33 H new ATOM 0 HB2 SER A 75 -9.194 -3.264 1.634 1.00 70.34 H new ATOM 0 HB3 SER A 75 -10.524 -4.384 1.848 1.00 70.34 H new ATOM 0 HG SER A 75 -10.623 -2.609 3.339 1.00 41.25 H new ATOM 1203 N ARG A 76 -9.465 -6.750 0.989 1.00 45.14 N ATOM 1204 CA ARG A 76 -9.443 -7.605 -0.204 1.00 45.43 C ATOM 1205 C ARG A 76 -9.526 -6.778 -1.503 1.00 74.24 C ATOM 1206 O ARG A 76 -10.298 -5.816 -1.593 1.00 60.41 O ATOM 1207 CB ARG A 76 -10.601 -8.617 -0.146 1.00 34.21 C ATOM 1208 CG ARG A 76 -10.525 -9.580 1.038 1.00 1.45 C ATOM 1209 CD ARG A 76 -9.319 -10.514 0.941 1.00 32.43 C ATOM 1210 NE ARG A 76 -9.258 -11.457 2.058 1.00 62.30 N ATOM 1211 CZ ARG A 76 -8.601 -12.592 2.031 1.00 30.12 C ATOM 1212 NH1 ARG A 76 -7.938 -12.943 0.972 1.00 73.12 N ATOM 1213 NH2 ARG A 76 -8.606 -13.365 3.068 1.00 25.52 N ATOM 0 H ARG A 76 -10.314 -6.837 1.548 1.00 45.14 H new ATOM 0 HA ARG A 76 -8.493 -8.139 -0.213 1.00 45.43 H new ATOM 0 HB2 ARG A 76 -11.544 -8.072 -0.098 1.00 34.21 H new ATOM 0 HB3 ARG A 76 -10.612 -9.194 -1.071 1.00 34.21 H new ATOM 0 HG2 ARG A 76 -10.468 -9.010 1.965 1.00 1.45 H new ATOM 0 HG3 ARG A 76 -11.439 -10.172 1.083 1.00 1.45 H new ATOM 0 HD2 ARG A 76 -9.365 -11.067 0.003 1.00 32.43 H new ATOM 0 HD3 ARG A 76 -8.404 -9.922 0.917 1.00 32.43 H new ATOM 0 HE ARG A 76 -9.759 -11.216 2.913 1.00 62.30 H new ATOM 0 HH11 ARG A 76 -7.925 -12.335 0.153 1.00 73.12 H new ATOM 0 HH12 ARG A 76 -7.429 -13.827 0.958 1.00 73.12 H new ATOM 0 HH21 ARG A 76 -9.120 -13.092 3.905 1.00 25.52 H new ATOM 0 HH22 ARG A 76 -8.096 -14.248 3.048 1.00 25.52 H new ATOM 1227 N PRO A 77 -8.730 -7.143 -2.532 1.00 3.33 N ATOM 1228 CA PRO A 77 -8.739 -6.444 -3.829 1.00 70.13 C ATOM 1229 C PRO A 77 -10.104 -6.518 -4.539 1.00 64.22 C ATOM 1230 O PRO A 77 -10.449 -7.531 -5.155 1.00 52.24 O ATOM 1231 CB PRO A 77 -7.653 -7.174 -4.643 1.00 1.24 C ATOM 1232 CG PRO A 77 -7.495 -8.499 -3.975 1.00 3.34 C ATOM 1233 CD PRO A 77 -7.761 -8.256 -2.514 1.00 43.33 C ATOM 0 HA PRO A 77 -8.551 -5.377 -3.712 1.00 70.13 H new ATOM 0 HB2 PRO A 77 -7.952 -7.290 -5.685 1.00 1.24 H new ATOM 0 HB3 PRO A 77 -6.716 -6.617 -4.641 1.00 1.24 H new ATOM 0 HG2 PRO A 77 -8.194 -9.229 -4.384 1.00 3.34 H new ATOM 0 HG3 PRO A 77 -6.492 -8.897 -4.129 1.00 3.34 H new ATOM 0 HD2 PRO A 77 -8.171 -9.140 -2.026 1.00 43.33 H new ATOM 0 HD3 PRO A 77 -6.851 -7.989 -1.977 1.00 43.33 H new ATOM 1241 N GLY A 78 -10.879 -5.442 -4.438 1.00 53.34 N ATOM 1242 CA GLY A 78 -12.211 -5.408 -5.040 1.00 43.41 C ATOM 1243 C GLY A 78 -13.120 -4.358 -4.410 1.00 63.42 C ATOM 1244 O GLY A 78 -14.057 -3.869 -5.047 1.00 34.33 O ATOM 0 H GLY A 78 -10.612 -4.588 -3.949 1.00 53.34 H new ATOM 0 HA2 GLY A 78 -12.117 -5.207 -6.107 1.00 43.41 H new ATOM 0 HA3 GLY A 78 -12.674 -6.390 -4.940 1.00 43.41 H new ATOM 1248 N GLN A 79 -12.843 -4.015 -3.154 1.00 3.14 N ATOM 1249 CA GLN A 79 -13.607 -2.985 -2.436 1.00 23.32 C ATOM 1250 C GLN A 79 -13.517 -1.625 -3.155 1.00 51.34 C ATOM 1251 O GLN A 79 -12.426 -1.084 -3.337 1.00 55.30 O ATOM 1252 CB GLN A 79 -13.088 -2.860 -0.993 1.00 72.34 C ATOM 1253 CG GLN A 79 -13.197 -4.153 -0.182 1.00 2.01 C ATOM 1254 CD GLN A 79 -14.633 -4.632 -0.025 1.00 55.30 C ATOM 1255 OE1 GLN A 79 -15.564 -3.839 0.003 1.00 22.22 O ATOM 1256 NE2 GLN A 79 -14.823 -5.931 0.080 1.00 33.13 N ATOM 0 H GLN A 79 -12.092 -4.435 -2.606 1.00 3.14 H new ATOM 0 HA GLN A 79 -14.654 -3.286 -2.416 1.00 23.32 H new ATOM 0 HB2 GLN A 79 -12.045 -2.545 -1.018 1.00 72.34 H new ATOM 0 HB3 GLN A 79 -13.646 -2.074 -0.483 1.00 72.34 H new ATOM 0 HG2 GLN A 79 -12.610 -4.932 -0.669 1.00 2.01 H new ATOM 0 HG3 GLN A 79 -12.762 -3.995 0.805 1.00 2.01 H new ATOM 0 HE21 GLN A 79 -14.026 -6.567 0.053 1.00 33.13 H new ATOM 0 HE22 GLN A 79 -15.767 -6.301 0.188 1.00 33.13 H new ATOM 1265 N ASP A 80 -14.670 -1.095 -3.579 1.00 61.30 N ATOM 1266 CA ASP A 80 -14.730 0.161 -4.352 1.00 52.41 C ATOM 1267 C ASP A 80 -13.995 0.018 -5.703 1.00 11.00 C ATOM 1268 O ASP A 80 -13.748 1.001 -6.406 1.00 55.31 O ATOM 1269 CB ASP A 80 -14.145 1.325 -3.528 1.00 61.10 C ATOM 1270 CG ASP A 80 -14.448 2.686 -4.136 1.00 32.43 C ATOM 1271 OD1 ASP A 80 -15.614 3.125 -4.067 1.00 61.12 O ATOM 1272 OD2 ASP A 80 -13.527 3.322 -4.693 1.00 75.31 O ATOM 0 H ASP A 80 -15.582 -1.516 -3.401 1.00 61.30 H new ATOM 0 HA ASP A 80 -15.776 0.381 -4.566 1.00 52.41 H new ATOM 0 HB2 ASP A 80 -14.547 1.286 -2.516 1.00 61.10 H new ATOM 0 HB3 ASP A 80 -13.065 1.200 -3.447 1.00 61.10 H new ATOM 1277 N GLY A 81 -13.679 -1.223 -6.073 1.00 4.04 N ATOM 1278 CA GLY A 81 -12.916 -1.487 -7.285 1.00 41.52 C ATOM 1279 C GLY A 81 -11.420 -1.226 -7.120 1.00 14.21 C ATOM 1280 O GLY A 81 -10.666 -1.284 -8.087 1.00 21.32 O ATOM 0 H GLY A 81 -13.941 -2.058 -5.549 1.00 4.04 H new ATOM 0 HA2 GLY A 81 -13.067 -2.524 -7.584 1.00 41.52 H new ATOM 0 HA3 GLY A 81 -13.301 -0.864 -8.092 1.00 41.52 H new ATOM 1284 N VAL A 82 -10.990 -0.969 -5.887 1.00 22.44 N ATOM 1285 CA VAL A 82 -9.596 -0.608 -5.606 1.00 60.25 C ATOM 1286 C VAL A 82 -9.046 -1.375 -4.383 1.00 1.15 C ATOM 1287 O VAL A 82 -9.792 -2.029 -3.653 1.00 33.23 O ATOM 1288 CB VAL A 82 -9.479 0.925 -5.358 1.00 50.52 C ATOM 1289 CG1 VAL A 82 -10.158 1.322 -4.051 1.00 31.22 C ATOM 1290 CG2 VAL A 82 -8.021 1.394 -5.385 1.00 4.21 C ATOM 0 H VAL A 82 -11.587 -1.003 -5.061 1.00 22.44 H new ATOM 0 HA VAL A 82 -9.001 -0.885 -6.476 1.00 60.25 H new ATOM 0 HB VAL A 82 -9.997 1.427 -6.175 1.00 50.52 H new ATOM 0 HG11 VAL A 82 -10.061 2.398 -3.903 1.00 31.22 H new ATOM 0 HG12 VAL A 82 -11.214 1.055 -4.094 1.00 31.22 H new ATOM 0 HG13 VAL A 82 -9.685 0.797 -3.221 1.00 31.22 H new ATOM 0 HG21 VAL A 82 -7.981 2.469 -5.208 1.00 4.21 H new ATOM 0 HG22 VAL A 82 -7.458 0.877 -4.608 1.00 4.21 H new ATOM 0 HG23 VAL A 82 -7.585 1.170 -6.358 1.00 4.21 H new ATOM 1300 N ILE A 83 -7.732 -1.310 -4.187 1.00 13.03 N ATOM 1301 CA ILE A 83 -7.082 -1.906 -3.015 1.00 51.43 C ATOM 1302 C ILE A 83 -6.676 -0.811 -2.013 1.00 75.23 C ATOM 1303 O ILE A 83 -6.273 0.282 -2.409 1.00 34.21 O ATOM 1304 CB ILE A 83 -5.826 -2.712 -3.428 1.00 14.15 C ATOM 1305 CG1 ILE A 83 -6.182 -3.708 -4.543 1.00 3.34 C ATOM 1306 CG2 ILE A 83 -5.227 -3.441 -2.222 1.00 12.13 C ATOM 1307 CD1 ILE A 83 -4.998 -4.494 -5.057 1.00 14.51 C ATOM 0 H ILE A 83 -7.088 -0.847 -4.829 1.00 13.03 H new ATOM 0 HA ILE A 83 -7.797 -2.582 -2.546 1.00 51.43 H new ATOM 0 HB ILE A 83 -5.076 -2.017 -3.806 1.00 14.15 H new ATOM 0 HG12 ILE A 83 -6.934 -4.403 -4.170 1.00 3.34 H new ATOM 0 HG13 ILE A 83 -6.634 -3.164 -5.373 1.00 3.34 H new ATOM 0 HG21 ILE A 83 -4.346 -4.001 -2.536 1.00 12.13 H new ATOM 0 HG22 ILE A 83 -4.943 -2.714 -1.461 1.00 12.13 H new ATOM 0 HG23 ILE A 83 -5.965 -4.128 -1.809 1.00 12.13 H new ATOM 0 HD11 ILE A 83 -5.327 -5.176 -5.841 1.00 14.51 H new ATOM 0 HD12 ILE A 83 -4.254 -3.808 -5.461 1.00 14.51 H new ATOM 0 HD13 ILE A 83 -4.559 -5.066 -4.240 1.00 14.51 H new ATOM 1319 N ASN A 84 -6.782 -1.108 -0.720 1.00 43.21 N ATOM 1320 CA ASN A 84 -6.429 -0.142 0.333 1.00 45.54 C ATOM 1321 C ASN A 84 -5.365 -0.718 1.284 1.00 22.14 C ATOM 1322 O ASN A 84 -5.452 -1.876 1.704 1.00 70.22 O ATOM 1323 CB ASN A 84 -7.685 0.261 1.122 1.00 14.34 C ATOM 1324 CG ASN A 84 -8.705 0.981 0.250 1.00 73.34 C ATOM 1325 OD1 ASN A 84 -8.683 2.201 0.119 1.00 32.10 O ATOM 1326 ND2 ASN A 84 -9.618 0.239 -0.342 1.00 45.34 N ATOM 0 H ASN A 84 -7.109 -2.009 -0.370 1.00 43.21 H new ATOM 0 HA ASN A 84 -6.008 0.742 -0.146 1.00 45.54 H new ATOM 0 HB2 ASN A 84 -8.142 -0.629 1.553 1.00 14.34 H new ATOM 0 HB3 ASN A 84 -7.399 0.907 1.952 1.00 14.34 H new ATOM 0 HD21 ASN A 84 -10.330 0.677 -0.927 1.00 45.34 H new ATOM 0 HD22 ASN A 84 -9.613 -0.773 -0.216 1.00 45.34 H new ATOM 1333 N GLY A 85 -4.360 0.094 1.621 1.00 2.53 N ATOM 1334 CA GLY A 85 -3.279 -0.369 2.490 1.00 63.54 C ATOM 1335 C GLY A 85 -2.588 0.753 3.267 1.00 14.04 C ATOM 1336 O GLY A 85 -2.939 1.925 3.132 1.00 4.33 O ATOM 0 H GLY A 85 -4.273 1.062 1.310 1.00 2.53 H new ATOM 0 HA2 GLY A 85 -3.680 -1.095 3.198 1.00 63.54 H new ATOM 0 HA3 GLY A 85 -2.537 -0.890 1.885 1.00 63.54 H new ATOM 1340 N VAL A 86 -1.599 0.388 4.090 1.00 31.40 N ATOM 1341 CA VAL A 86 -0.851 1.371 4.898 1.00 44.45 C ATOM 1342 C VAL A 86 0.639 1.376 4.521 1.00 54.33 C ATOM 1343 O VAL A 86 1.221 0.322 4.262 1.00 14.44 O ATOM 1344 CB VAL A 86 -0.968 1.080 6.421 1.00 61.14 C ATOM 1345 CG1 VAL A 86 -0.627 2.324 7.243 1.00 51.23 C ATOM 1346 CG2 VAL A 86 -2.350 0.536 6.778 1.00 10.24 C ATOM 0 H VAL A 86 -1.295 -0.577 4.218 1.00 31.40 H new ATOM 0 HA VAL A 86 -1.294 2.344 4.684 1.00 44.45 H new ATOM 0 HB VAL A 86 -0.241 0.307 6.671 1.00 61.14 H new ATOM 0 HG11 VAL A 86 -0.716 2.094 8.305 1.00 51.23 H new ATOM 0 HG12 VAL A 86 0.394 2.636 7.024 1.00 51.23 H new ATOM 0 HG13 VAL A 86 -1.315 3.129 6.987 1.00 51.23 H new ATOM 0 HG21 VAL A 86 -2.399 0.343 7.850 1.00 10.24 H new ATOM 0 HG22 VAL A 86 -3.111 1.268 6.506 1.00 10.24 H new ATOM 0 HG23 VAL A 86 -2.528 -0.391 6.234 1.00 10.24 H new ATOM 1356 N LEU A 87 1.248 2.559 4.497 1.00 12.14 N ATOM 1357 CA LEU A 87 2.679 2.687 4.193 1.00 2.33 C ATOM 1358 C LEU A 87 3.535 2.288 5.408 1.00 33.45 C ATOM 1359 O LEU A 87 3.373 2.831 6.497 1.00 14.45 O ATOM 1360 CB LEU A 87 3.000 4.128 3.773 1.00 30.41 C ATOM 1361 CG LEU A 87 4.448 4.381 3.315 1.00 23.11 C ATOM 1362 CD1 LEU A 87 4.793 3.513 2.108 1.00 55.11 C ATOM 1363 CD2 LEU A 87 4.660 5.858 2.993 1.00 22.05 C ATOM 0 H LEU A 87 0.777 3.444 4.684 1.00 12.14 H new ATOM 0 HA LEU A 87 2.917 2.013 3.370 1.00 2.33 H new ATOM 0 HB2 LEU A 87 2.327 4.410 2.963 1.00 30.41 H new ATOM 0 HB3 LEU A 87 2.783 4.789 4.612 1.00 30.41 H new ATOM 0 HG LEU A 87 5.116 4.109 4.132 1.00 23.11 H new ATOM 0 HD11 LEU A 87 5.821 3.708 1.801 1.00 55.11 H new ATOM 0 HD12 LEU A 87 4.687 2.461 2.374 1.00 55.11 H new ATOM 0 HD13 LEU A 87 4.118 3.749 1.285 1.00 55.11 H new ATOM 0 HD21 LEU A 87 5.689 6.016 2.671 1.00 22.05 H new ATOM 0 HD22 LEU A 87 3.980 6.158 2.195 1.00 22.05 H new ATOM 0 HD23 LEU A 87 4.462 6.456 3.882 1.00 22.05 H new ATOM 1375 N ILE A 88 4.442 1.334 5.214 1.00 61.13 N ATOM 1376 CA ILE A 88 5.276 0.809 6.304 1.00 13.14 C ATOM 1377 C ILE A 88 6.722 0.559 5.835 1.00 55.04 C ATOM 1378 O ILE A 88 7.085 0.872 4.698 1.00 65.42 O ATOM 1379 CB ILE A 88 4.693 -0.517 6.859 1.00 2.11 C ATOM 1380 CG1 ILE A 88 4.686 -1.591 5.759 1.00 73.21 C ATOM 1381 CG2 ILE A 88 3.291 -0.305 7.438 1.00 35.12 C ATOM 1382 CD1 ILE A 88 3.939 -2.854 6.132 1.00 13.33 C ATOM 0 H ILE A 88 4.623 0.903 4.307 1.00 61.13 H new ATOM 0 HA ILE A 88 5.281 1.563 7.091 1.00 13.14 H new ATOM 0 HB ILE A 88 5.330 -0.862 7.673 1.00 2.11 H new ATOM 0 HG12 ILE A 88 4.239 -1.170 4.858 1.00 73.21 H new ATOM 0 HG13 ILE A 88 5.716 -1.850 5.513 1.00 73.21 H new ATOM 0 HG21 ILE A 88 2.908 -1.252 7.819 1.00 35.12 H new ATOM 0 HG22 ILE A 88 3.339 0.421 8.250 1.00 35.12 H new ATOM 0 HG23 ILE A 88 2.627 0.067 6.657 1.00 35.12 H new ATOM 0 HD11 ILE A 88 3.981 -3.560 5.303 1.00 13.33 H new ATOM 0 HD12 ILE A 88 4.398 -3.301 7.013 1.00 13.33 H new ATOM 0 HD13 ILE A 88 2.899 -2.611 6.349 1.00 13.33 H new ATOM 1394 N ARG A 89 7.545 0.001 6.724 1.00 60.42 N ATOM 1395 CA ARG A 89 8.946 -0.325 6.410 1.00 20.42 C ATOM 1396 C ARG A 89 9.226 -1.823 6.637 1.00 10.12 C ATOM 1397 O ARG A 89 9.443 -2.259 7.768 1.00 23.13 O ATOM 1398 CB ARG A 89 9.913 0.516 7.274 1.00 70.04 C ATOM 1399 CG ARG A 89 10.228 1.914 6.729 1.00 62.11 C ATOM 1400 CD ARG A 89 9.007 2.826 6.670 1.00 20.44 C ATOM 1401 NE ARG A 89 8.357 2.991 7.972 1.00 33.22 N ATOM 1402 CZ ARG A 89 8.080 4.149 8.512 1.00 1.51 C ATOM 1403 NH1 ARG A 89 8.528 5.246 7.987 1.00 41.42 N ATOM 1404 NH2 ARG A 89 7.395 4.202 9.608 1.00 32.51 N ATOM 0 H ARG A 89 7.267 -0.238 7.676 1.00 60.42 H new ATOM 0 HA ARG A 89 9.111 -0.089 5.359 1.00 20.42 H new ATOM 0 HB2 ARG A 89 9.486 0.620 8.272 1.00 70.04 H new ATOM 0 HB3 ARG A 89 10.848 -0.033 7.383 1.00 70.04 H new ATOM 0 HG2 ARG A 89 10.990 2.378 7.356 1.00 62.11 H new ATOM 0 HG3 ARG A 89 10.652 1.820 5.729 1.00 62.11 H new ATOM 0 HD2 ARG A 89 9.308 3.804 6.293 1.00 20.44 H new ATOM 0 HD3 ARG A 89 8.288 2.417 5.960 1.00 20.44 H new ATOM 0 HE ARG A 89 8.105 2.149 8.490 1.00 33.22 H new ATOM 0 HH11 ARG A 89 9.102 5.211 7.145 1.00 41.42 H new ATOM 0 HH12 ARG A 89 8.306 6.144 8.416 1.00 41.42 H new ATOM 0 HH21 ARG A 89 7.072 3.341 10.050 1.00 32.51 H new ATOM 0 HH22 ARG A 89 7.178 5.105 10.031 1.00 32.51 H new ATOM 1418 N GLU A 90 9.228 -2.609 5.561 1.00 72.21 N ATOM 1419 CA GLU A 90 9.447 -4.060 5.664 1.00 25.24 C ATOM 1420 C GLU A 90 10.792 -4.477 5.055 1.00 4.24 C ATOM 1421 O GLU A 90 11.627 -5.083 5.727 1.00 64.33 O ATOM 1422 CB GLU A 90 8.306 -4.816 4.970 1.00 31.54 C ATOM 1423 CG GLU A 90 6.935 -4.561 5.585 1.00 74.13 C ATOM 1424 CD GLU A 90 6.824 -5.044 7.025 1.00 71.33 C ATOM 1425 OE1 GLU A 90 6.655 -6.263 7.234 1.00 31.12 O ATOM 1426 OE2 GLU A 90 6.899 -4.208 7.952 1.00 0.04 O ATOM 0 H GLU A 90 9.082 -2.272 4.610 1.00 72.21 H new ATOM 0 HA GLU A 90 9.465 -4.316 6.723 1.00 25.24 H new ATOM 0 HB2 GLU A 90 8.281 -4.531 3.918 1.00 31.54 H new ATOM 0 HB3 GLU A 90 8.517 -5.885 5.005 1.00 31.54 H new ATOM 0 HG2 GLU A 90 6.721 -3.493 5.549 1.00 74.13 H new ATOM 0 HG3 GLU A 90 6.175 -5.059 4.982 1.00 74.13 H new ATOM 1433 N LEU A 91 10.995 -4.152 3.782 1.00 74.43 N ATOM 1434 CA LEU A 91 12.216 -4.529 3.067 1.00 13.24 C ATOM 1435 C LEU A 91 13.375 -3.565 3.371 1.00 42.23 C ATOM 1436 O LEU A 91 13.160 -2.418 3.769 1.00 42.42 O ATOM 1437 CB LEU A 91 11.950 -4.561 1.554 1.00 23.44 C ATOM 1438 CG LEU A 91 10.864 -5.549 1.095 1.00 53.51 C ATOM 1439 CD1 LEU A 91 10.695 -5.503 -0.422 1.00 51.23 C ATOM 1440 CD2 LEU A 91 11.194 -6.965 1.562 1.00 74.50 C ATOM 0 H LEU A 91 10.327 -3.625 3.219 1.00 74.43 H new ATOM 0 HA LEU A 91 12.507 -5.522 3.410 1.00 13.24 H new ATOM 0 HB2 LEU A 91 11.666 -3.559 1.231 1.00 23.44 H new ATOM 0 HB3 LEU A 91 12.881 -4.808 1.044 1.00 23.44 H new ATOM 0 HG LEU A 91 9.918 -5.252 1.549 1.00 53.51 H new ATOM 0 HD11 LEU A 91 9.922 -6.210 -0.724 1.00 51.23 H new ATOM 0 HD12 LEU A 91 10.405 -4.497 -0.725 1.00 51.23 H new ATOM 0 HD13 LEU A 91 11.637 -5.769 -0.901 1.00 51.23 H new ATOM 0 HD21 LEU A 91 10.414 -7.649 1.228 1.00 74.50 H new ATOM 0 HD22 LEU A 91 12.152 -7.273 1.142 1.00 74.50 H new ATOM 0 HD23 LEU A 91 11.252 -6.985 2.650 1.00 74.50 H new ATOM 1452 N GLU A 92 14.602 -4.051 3.207 1.00 31.34 N ATOM 1453 CA GLU A 92 15.801 -3.222 3.357 1.00 73.24 C ATOM 1454 C GLU A 92 16.171 -2.610 1.995 1.00 20.32 C ATOM 1455 O GLU A 92 16.148 -3.299 0.973 1.00 71.32 O ATOM 1456 CB GLU A 92 16.961 -4.084 3.897 1.00 51.43 C ATOM 1457 CG GLU A 92 18.133 -3.301 4.497 1.00 52.05 C ATOM 1458 CD GLU A 92 18.847 -2.399 3.498 1.00 14.33 C ATOM 1459 OE1 GLU A 92 19.347 -2.917 2.477 1.00 61.32 O ATOM 1460 OE2 GLU A 92 18.914 -1.171 3.734 1.00 1.45 O ATOM 0 H GLU A 92 14.796 -5.023 2.968 1.00 31.34 H new ATOM 0 HA GLU A 92 15.608 -2.416 4.065 1.00 73.24 H new ATOM 0 HB2 GLU A 92 16.568 -4.758 4.658 1.00 51.43 H new ATOM 0 HB3 GLU A 92 17.338 -4.706 3.085 1.00 51.43 H new ATOM 0 HG2 GLU A 92 17.766 -2.693 5.324 1.00 52.05 H new ATOM 0 HG3 GLU A 92 18.852 -4.005 4.915 1.00 52.05 H new ATOM 1467 N HIS A 93 16.526 -1.327 1.975 1.00 72.23 N ATOM 1468 CA HIS A 93 16.820 -0.642 0.714 1.00 20.21 C ATOM 1469 C HIS A 93 17.855 0.484 0.891 1.00 72.52 C ATOM 1470 O HIS A 93 17.494 1.652 1.066 1.00 71.15 O ATOM 1471 CB HIS A 93 15.516 -0.090 0.110 1.00 43.12 C ATOM 1472 CG HIS A 93 15.669 0.513 -1.255 1.00 44.14 C ATOM 1473 ND1 HIS A 93 15.476 1.851 -1.508 1.00 74.40 N ATOM 1474 CD2 HIS A 93 15.971 -0.050 -2.452 1.00 32.34 C ATOM 1475 CE1 HIS A 93 15.648 2.087 -2.792 1.00 51.51 C ATOM 1476 NE2 HIS A 93 15.948 0.954 -3.391 1.00 4.34 N ATOM 0 H HIS A 93 16.617 -0.744 2.807 1.00 72.23 H new ATOM 0 HA HIS A 93 17.259 -1.370 0.032 1.00 20.21 H new ATOM 0 HB2 HIS A 93 14.785 -0.897 0.057 1.00 43.12 H new ATOM 0 HB3 HIS A 93 15.110 0.665 0.783 1.00 43.12 H new ATOM 0 HD2 HIS A 93 16.189 -1.092 -2.633 1.00 32.34 H new ATOM 0 HE1 HIS A 93 15.558 3.050 -3.273 1.00 51.51 H new ATOM 0 HE2 HIS A 93 16.133 0.840 -4.388 1.00 4.34 H new ATOM 1485 N HIS A 94 19.140 0.122 0.874 1.00 52.15 N ATOM 1486 CA HIS A 94 20.226 1.116 0.825 1.00 2.33 C ATOM 1487 C HIS A 94 20.939 1.063 -0.537 1.00 0.13 C ATOM 1488 O HIS A 94 20.727 0.136 -1.320 1.00 51.24 O ATOM 1489 CB HIS A 94 21.238 0.912 1.971 1.00 5.43 C ATOM 1490 CG HIS A 94 22.095 -0.317 1.848 1.00 32.43 C ATOM 1491 ND1 HIS A 94 23.197 -0.388 1.022 1.00 3.12 N ATOM 1492 CD2 HIS A 94 22.019 -1.519 2.465 1.00 73.23 C ATOM 1493 CE1 HIS A 94 23.755 -1.576 1.134 1.00 63.05 C ATOM 1494 NE2 HIS A 94 23.063 -2.281 2.003 1.00 45.42 N ATOM 0 H HIS A 94 19.458 -0.847 0.893 1.00 52.15 H new ATOM 0 HA HIS A 94 19.778 2.102 0.953 1.00 2.33 H new ATOM 0 HB2 HIS A 94 21.887 1.786 2.023 1.00 5.43 H new ATOM 0 HB3 HIS A 94 20.693 0.864 2.913 1.00 5.43 H new ATOM 0 HD1 HIS A 94 23.529 0.364 0.417 1.00 3.12 H new ATOM 0 HD2 HIS A 94 21.275 -1.822 3.187 1.00 73.23 H new ATOM 0 HE1 HIS A 94 24.632 -1.914 0.602 1.00 63.05 H new ATOM 1503 N HIS A 95 21.796 2.043 -0.809 1.00 65.22 N ATOM 1504 CA HIS A 95 22.465 2.150 -2.116 1.00 33.23 C ATOM 1505 C HIS A 95 23.614 1.135 -2.261 1.00 1.21 C ATOM 1506 O HIS A 95 24.273 0.780 -1.283 1.00 13.15 O ATOM 1507 CB HIS A 95 22.984 3.577 -2.323 1.00 23.23 C ATOM 1508 CG HIS A 95 21.903 4.612 -2.237 1.00 54.53 C ATOM 1509 ND1 HIS A 95 21.247 5.105 -3.341 1.00 43.45 N ATOM 1510 CD2 HIS A 95 21.345 5.230 -1.169 1.00 53.15 C ATOM 1511 CE1 HIS A 95 20.336 5.975 -2.961 1.00 73.43 C ATOM 1512 NE2 HIS A 95 20.369 6.070 -1.646 1.00 51.11 N ATOM 0 H HIS A 95 22.048 2.777 -0.147 1.00 65.22 H new ATOM 0 HA HIS A 95 21.729 1.917 -2.885 1.00 33.23 H new ATOM 0 HB2 HIS A 95 23.746 3.793 -1.574 1.00 23.23 H new ATOM 0 HB3 HIS A 95 23.467 3.644 -3.298 1.00 23.23 H new ATOM 0 HD2 HIS A 95 21.617 5.088 -0.134 1.00 53.15 H new ATOM 0 HE1 HIS A 95 19.672 6.520 -3.616 1.00 73.43 H new ATOM 0 HE2 HIS A 95 19.769 6.668 -1.078 1.00 51.11 H new ATOM 1521 N HIS A 96 23.841 0.671 -3.488 1.00 72.52 N ATOM 1522 CA HIS A 96 24.883 -0.324 -3.769 1.00 64.11 C ATOM 1523 C HIS A 96 25.968 0.234 -4.705 1.00 31.22 C ATOM 1524 O HIS A 96 25.693 0.586 -5.857 1.00 61.25 O ATOM 1525 CB HIS A 96 24.253 -1.581 -4.387 1.00 65.24 C ATOM 1526 CG HIS A 96 25.251 -2.609 -4.827 1.00 75.41 C ATOM 1527 ND1 HIS A 96 25.556 -2.834 -6.150 1.00 60.53 N ATOM 1528 CD2 HIS A 96 26.009 -3.476 -4.117 1.00 34.13 C ATOM 1529 CE1 HIS A 96 26.455 -3.793 -6.236 1.00 62.41 C ATOM 1530 NE2 HIS A 96 26.748 -4.202 -5.017 1.00 33.22 N ATOM 0 H HIS A 96 23.316 0.968 -4.310 1.00 72.52 H new ATOM 0 HA HIS A 96 25.361 -0.580 -2.824 1.00 64.11 H new ATOM 0 HB2 HIS A 96 23.579 -2.032 -3.659 1.00 65.24 H new ATOM 0 HB3 HIS A 96 23.647 -1.287 -5.244 1.00 65.24 H new ATOM 0 HD2 HIS A 96 26.029 -3.578 -3.042 1.00 34.13 H new ATOM 0 HE1 HIS A 96 26.880 -4.179 -7.151 1.00 62.41 H new ATOM 0 HE2 HIS A 96 27.415 -4.937 -4.782 1.00 33.22 H new ATOM 1539 N HIS A 97 27.201 0.305 -4.208 1.00 51.55 N ATOM 1540 CA HIS A 97 28.345 0.725 -5.024 1.00 34.22 C ATOM 1541 C HIS A 97 28.600 -0.274 -6.164 1.00 43.33 C ATOM 1542 O HIS A 97 29.310 -1.264 -5.988 1.00 75.51 O ATOM 1543 CB HIS A 97 29.601 0.864 -4.148 1.00 3.24 C ATOM 1544 CG HIS A 97 30.826 1.288 -4.905 1.00 64.14 C ATOM 1545 ND1 HIS A 97 31.648 0.400 -5.568 1.00 42.32 N ATOM 1546 CD2 HIS A 97 31.368 2.513 -5.106 1.00 50.13 C ATOM 1547 CE1 HIS A 97 32.637 1.058 -6.137 1.00 42.01 C ATOM 1548 NE2 HIS A 97 32.489 2.339 -5.872 1.00 64.45 N ATOM 0 H HIS A 97 27.437 0.077 -3.242 1.00 51.55 H new ATOM 0 HA HIS A 97 28.113 1.695 -5.465 1.00 34.22 H new ATOM 0 HB2 HIS A 97 29.404 1.590 -3.359 1.00 3.24 H new ATOM 0 HB3 HIS A 97 29.799 -0.090 -3.660 1.00 3.24 H new ATOM 0 HD1 HIS A 97 31.511 -0.610 -5.611 1.00 42.32 H new ATOM 0 HD2 HIS A 97 30.987 3.452 -4.732 1.00 50.13 H new ATOM 0 HE1 HIS A 97 33.433 0.621 -6.721 1.00 42.01 H new ATOM 1557 N HIS A 98 27.978 -0.025 -7.318 1.00 40.34 N ATOM 1558 CA HIS A 98 28.159 -0.882 -8.502 1.00 12.01 C ATOM 1559 C HIS A 98 29.635 -0.932 -8.967 1.00 54.30 C ATOM 1560 O HIS A 98 30.129 0.067 -9.526 1.00 38.64 O ATOM 1561 CB HIS A 98 27.237 -0.425 -9.654 1.00 21.41 C ATOM 1562 CG HIS A 98 27.370 1.026 -10.019 1.00 71.02 C ATOM 1563 ND1 HIS A 98 28.243 1.488 -10.980 1.00 2.30 N ATOM 1564 CD2 HIS A 98 26.725 2.121 -9.550 1.00 12.31 C ATOM 1565 CE1 HIS A 98 28.136 2.795 -11.082 1.00 30.24 C ATOM 1566 NE2 HIS A 98 27.221 3.206 -10.228 1.00 43.01 N ATOM 1567 OXT HIS A 98 30.287 -1.983 -8.784 1.00 38.64 O ATOM 0 H HIS A 98 27.344 0.761 -7.463 1.00 40.34 H new ATOM 0 HA HIS A 98 27.879 -1.895 -8.212 1.00 12.01 H new ATOM 0 HB2 HIS A 98 27.451 -1.030 -10.535 1.00 21.41 H new ATOM 0 HB3 HIS A 98 26.202 -0.623 -9.375 1.00 21.41 H new ATOM 0 HD2 HIS A 98 25.963 2.137 -8.785 1.00 12.31 H new ATOM 0 HE1 HIS A 98 28.702 3.425 -11.752 1.00 30.24 H new ATOM 0 HE2 HIS A 98 26.929 4.174 -10.093 1.00 43.01 H new TER 1576 HIS A 98