USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=13 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 180:sc= 0.0827 USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.298 USER MOD Single : A 14 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.0066) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 167:sc= 0.746 (180deg=0.553) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot -25:sc= 0.162 USER MOD Single : A 26 ASN : amide:sc= -3.33! C(o=-3.3!,f=-3.4!) USER MOD Single : A 32 THR OG1 : rot -140:sc= -0.86 USER MOD Single : A 34 LYS NZ :NH3+ 165:sc= 1.12 (180deg=0.926) USER MOD Single : A 42 ASN : amide:sc= -1.15 K(o=-1.2,f=-3.6!) USER MOD Single : A 46 ASN : amide:sc= 0.381 K(o=0.38,f=-0.37) USER MOD Single : A 47 THR OG1 : rot 44:sc= 0.0861 USER MOD Single : A 49 ASN : amide:sc= -0.0447 K(o=-0.045,f=-1.5!) USER MOD Single : A 51 HIS : no HD1:sc=-0.00561 X(o=-0.0056,f=0) USER MOD Single : A 56 ASN : amide:sc= -0.532 K(o=-0.53,f=-7.7!) USER MOD Single : A 59 THR OG1 : rot -69:sc= 1.22 USER MOD Single : A 66 THR OG1 : rot -48:sc= 1.17 USER MOD Single : A 67 ASN : amide:sc= 0.666 K(o=0.67,f=-4.8!) USER MOD Single : A 70 ASN : amide:sc= 0.0532 K(o=0.053,f=-7.6!) USER MOD Single : A 79 GLN : amide:sc= 0.819 K(o=0.82,f=-0.4) USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 93 HIS : no HD1:sc= 0.0658 K(o=0.066,f=-1.4) USER MOD Single : A 94 HIS : no HE2:sc= -0.251 K(o=-0.25,f=-3.1!) USER MOD Single : A 95 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.007) USER MOD Single : A 96 HIS : no HD1:sc= 0.0531 K(o=0.053,f=-1.1) USER MOD Single : A 97 HIS : no HD1:sc= -0.462 X(o=-0.46,f=-0.078) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -54.431 -6.237 -21.324 1.00 1.23 N ATOM 2 CA GLY A 1 -53.017 -6.570 -20.988 1.00 20.04 C ATOM 3 C GLY A 1 -52.045 -6.365 -22.150 1.00 23.25 C ATOM 4 O GLY A 1 -51.125 -7.162 -22.339 1.00 4.21 O ATOM 0 H1 GLY A 1 -55.033 -6.399 -20.492 1.00 1.23 H new ATOM 0 H2 GLY A 1 -54.494 -5.239 -21.608 1.00 1.23 H new ATOM 0 H3 GLY A 1 -54.753 -6.841 -22.107 1.00 1.23 H new ATOM 0 HA2 GLY A 1 -52.698 -5.955 -20.146 1.00 20.04 H new ATOM 0 HA3 GLY A 1 -52.965 -7.609 -20.661 1.00 20.04 H new ATOM 10 N ASP A 2 -52.241 -5.298 -22.925 1.00 10.13 N ATOM 11 CA ASP A 2 -51.353 -4.985 -24.051 1.00 63.20 C ATOM 12 C ASP A 2 -50.059 -4.320 -23.551 1.00 14.31 C ATOM 13 O ASP A 2 -50.047 -3.134 -23.207 1.00 21.05 O ATOM 14 CB ASP A 2 -52.064 -4.064 -25.051 1.00 22.33 C ATOM 15 CG ASP A 2 -53.410 -4.615 -25.494 1.00 53.22 C ATOM 16 OD1 ASP A 2 -53.453 -5.441 -26.431 1.00 33.13 O ATOM 17 OD2 ASP A 2 -54.437 -4.223 -24.906 1.00 21.33 O ATOM 0 H ASP A 2 -53.005 -4.635 -22.796 1.00 10.13 H new ATOM 0 HA ASP A 2 -51.094 -5.918 -24.552 1.00 63.20 H new ATOM 0 HB2 ASP A 2 -52.208 -3.083 -24.598 1.00 22.33 H new ATOM 0 HB3 ASP A 2 -51.428 -3.921 -25.925 1.00 22.33 H new ATOM 22 N ARG A 3 -48.977 -5.091 -23.498 1.00 73.42 N ATOM 23 CA ARG A 3 -47.700 -4.605 -22.957 1.00 25.33 C ATOM 24 C ARG A 3 -46.612 -4.533 -24.041 1.00 15.02 C ATOM 25 O ARG A 3 -45.985 -5.541 -24.379 1.00 62.30 O ATOM 26 CB ARG A 3 -47.248 -5.516 -21.805 1.00 0.01 C ATOM 27 CG ARG A 3 -48.234 -5.554 -20.639 1.00 41.21 C ATOM 28 CD ARG A 3 -47.832 -6.569 -19.571 1.00 32.54 C ATOM 29 NE ARG A 3 -48.743 -6.544 -18.423 1.00 63.13 N ATOM 30 CZ ARG A 3 -49.713 -7.397 -18.222 1.00 13.21 C ATOM 31 NH1 ARG A 3 -49.909 -8.382 -19.038 1.00 35.11 N ATOM 32 NH2 ARG A 3 -50.472 -7.275 -17.184 1.00 54.52 N ATOM 0 H ARG A 3 -48.953 -6.058 -23.822 1.00 73.42 H new ATOM 0 HA ARG A 3 -47.853 -3.593 -22.583 1.00 25.33 H new ATOM 0 HB2 ARG A 3 -47.107 -6.528 -22.185 1.00 0.01 H new ATOM 0 HB3 ARG A 3 -46.279 -5.175 -21.441 1.00 0.01 H new ATOM 0 HG2 ARG A 3 -48.299 -4.563 -20.189 1.00 41.21 H new ATOM 0 HG3 ARG A 3 -49.227 -5.799 -21.014 1.00 41.21 H new ATOM 0 HD2 ARG A 3 -47.823 -7.569 -20.005 1.00 32.54 H new ATOM 0 HD3 ARG A 3 -46.817 -6.359 -19.234 1.00 32.54 H new ATOM 0 HE ARG A 3 -48.610 -5.807 -17.730 1.00 63.13 H new ATOM 0 HH11 ARG A 3 -49.303 -8.500 -19.850 1.00 35.11 H new ATOM 0 HH12 ARG A 3 -50.670 -9.040 -18.869 1.00 35.11 H new ATOM 0 HH21 ARG A 3 -50.314 -6.514 -16.523 1.00 54.52 H new ATOM 0 HH22 ARG A 3 -51.229 -7.939 -17.025 1.00 54.52 H new ATOM 46 N ARG A 4 -46.400 -3.339 -24.592 1.00 14.20 N ATOM 47 CA ARG A 4 -45.343 -3.117 -25.587 1.00 20.35 C ATOM 48 C ARG A 4 -44.014 -2.785 -24.884 1.00 14.25 C ATOM 49 O ARG A 4 -43.859 -1.711 -24.304 1.00 4.04 O ATOM 50 CB ARG A 4 -45.762 -1.984 -26.550 1.00 73.51 C ATOM 51 CG ARG A 4 -44.946 -1.876 -27.849 1.00 61.14 C ATOM 52 CD ARG A 4 -43.554 -1.278 -27.638 1.00 0.32 C ATOM 53 NE ARG A 4 -42.910 -0.913 -28.903 1.00 62.42 N ATOM 54 CZ ARG A 4 -41.669 -0.515 -29.013 1.00 60.43 C ATOM 55 NH1 ARG A 4 -40.874 -0.542 -27.995 1.00 12.13 N ATOM 56 NH2 ARG A 4 -41.214 -0.135 -30.163 1.00 0.12 N ATOM 0 H ARG A 4 -46.945 -2.507 -24.368 1.00 14.20 H new ATOM 0 HA ARG A 4 -45.197 -4.027 -26.169 1.00 20.35 H new ATOM 0 HB2 ARG A 4 -46.811 -2.124 -26.812 1.00 73.51 H new ATOM 0 HB3 ARG A 4 -45.691 -1.035 -26.018 1.00 73.51 H new ATOM 0 HG2 ARG A 4 -44.845 -2.867 -28.291 1.00 61.14 H new ATOM 0 HG3 ARG A 4 -45.493 -1.262 -28.564 1.00 61.14 H new ATOM 0 HD2 ARG A 4 -43.632 -0.395 -27.004 1.00 0.32 H new ATOM 0 HD3 ARG A 4 -42.929 -1.996 -27.108 1.00 0.32 H new ATOM 0 HE ARG A 4 -43.467 -0.973 -29.755 1.00 62.42 H new ATOM 0 HH11 ARG A 4 -41.212 -0.876 -27.093 1.00 12.13 H new ATOM 0 HH12 ARG A 4 -39.908 -0.229 -28.094 1.00 12.13 H new ATOM 0 HH21 ARG A 4 -41.823 -0.146 -30.981 1.00 0.12 H new ATOM 0 HH22 ARG A 4 -40.247 0.176 -30.251 1.00 0.12 H new ATOM 70 N VAL A 5 -43.064 -3.718 -24.932 1.00 44.32 N ATOM 71 CA VAL A 5 -41.758 -3.530 -24.291 1.00 52.11 C ATOM 72 C VAL A 5 -40.996 -2.341 -24.902 1.00 22.32 C ATOM 73 O VAL A 5 -40.685 -2.337 -26.092 1.00 23.33 O ATOM 74 CB VAL A 5 -40.888 -4.809 -24.412 1.00 3.23 C ATOM 75 CG1 VAL A 5 -39.536 -4.628 -23.720 1.00 60.10 C ATOM 76 CG2 VAL A 5 -41.629 -6.023 -23.848 1.00 61.12 C ATOM 0 H VAL A 5 -43.172 -4.614 -25.408 1.00 44.32 H new ATOM 0 HA VAL A 5 -41.949 -3.322 -23.238 1.00 52.11 H new ATOM 0 HB VAL A 5 -40.698 -4.985 -25.471 1.00 3.23 H new ATOM 0 HG11 VAL A 5 -38.950 -5.541 -23.822 1.00 60.10 H new ATOM 0 HG12 VAL A 5 -38.999 -3.799 -24.181 1.00 60.10 H new ATOM 0 HG13 VAL A 5 -39.694 -4.415 -22.663 1.00 60.10 H new ATOM 0 HG21 VAL A 5 -41.001 -6.909 -23.943 1.00 61.12 H new ATOM 0 HG22 VAL A 5 -41.859 -5.852 -22.796 1.00 61.12 H new ATOM 0 HG23 VAL A 5 -42.555 -6.174 -24.402 1.00 61.12 H new ATOM 86 N ARG A 6 -40.715 -1.327 -24.086 1.00 60.03 N ATOM 87 CA ARG A 6 -39.968 -0.148 -24.543 1.00 43.50 C ATOM 88 C ARG A 6 -38.549 -0.136 -23.955 1.00 50.42 C ATOM 89 O ARG A 6 -37.565 -0.044 -24.692 1.00 1.25 O ATOM 90 CB ARG A 6 -40.721 1.137 -24.165 1.00 24.45 C ATOM 91 CG ARG A 6 -42.125 1.224 -24.764 1.00 71.33 C ATOM 92 CD ARG A 6 -42.811 2.548 -24.430 1.00 32.50 C ATOM 93 NE ARG A 6 -42.068 3.698 -24.951 1.00 60.52 N ATOM 94 CZ ARG A 6 -42.612 4.839 -25.283 1.00 3.02 C ATOM 95 NH1 ARG A 6 -43.892 5.011 -25.219 1.00 2.32 N ATOM 96 NH2 ARG A 6 -41.870 5.803 -25.712 1.00 3.15 N ATOM 0 H ARG A 6 -40.991 -1.294 -23.105 1.00 60.03 H new ATOM 0 HA ARG A 6 -39.882 -0.196 -25.629 1.00 43.50 H new ATOM 0 HB2 ARG A 6 -40.794 1.199 -23.079 1.00 24.45 H new ATOM 0 HB3 ARG A 6 -40.140 1.998 -24.495 1.00 24.45 H new ATOM 0 HG2 ARG A 6 -42.065 1.110 -25.846 1.00 71.33 H new ATOM 0 HG3 ARG A 6 -42.730 0.398 -24.390 1.00 71.33 H new ATOM 0 HD2 ARG A 6 -43.819 2.549 -24.846 1.00 32.50 H new ATOM 0 HD3 ARG A 6 -42.912 2.641 -23.349 1.00 32.50 H new ATOM 0 HE ARG A 6 -41.059 3.602 -25.062 1.00 60.52 H new ATOM 0 HH11 ARG A 6 -44.494 4.249 -24.906 1.00 2.32 H new ATOM 0 HH12 ARG A 6 -44.300 5.908 -25.482 1.00 2.32 H new ATOM 0 HH21 ARG A 6 -40.861 5.674 -25.791 1.00 3.15 H new ATOM 0 HH22 ARG A 6 -42.292 6.695 -25.972 1.00 3.15 H new ATOM 110 N LEU A 7 -38.457 -0.206 -22.622 1.00 34.13 N ATOM 111 CA LEU A 7 -37.166 -0.308 -21.915 1.00 52.44 C ATOM 112 C LEU A 7 -36.251 0.918 -22.156 1.00 64.21 C ATOM 113 O LEU A 7 -35.108 0.949 -21.697 1.00 3.32 O ATOM 114 CB LEU A 7 -36.446 -1.609 -22.329 1.00 4.24 C ATOM 115 CG LEU A 7 -35.221 -1.996 -21.480 1.00 30.11 C ATOM 116 CD1 LEU A 7 -35.632 -2.260 -20.034 1.00 64.53 C ATOM 117 CD2 LEU A 7 -34.513 -3.212 -22.080 1.00 75.21 C ATOM 0 H LEU A 7 -39.267 -0.194 -22.002 1.00 34.13 H new ATOM 0 HA LEU A 7 -37.382 -0.329 -20.847 1.00 52.44 H new ATOM 0 HB2 LEU A 7 -37.165 -2.428 -22.290 1.00 4.24 H new ATOM 0 HB3 LEU A 7 -36.129 -1.512 -23.367 1.00 4.24 H new ATOM 0 HG LEU A 7 -34.520 -1.161 -21.484 1.00 30.11 H new ATOM 0 HD11 LEU A 7 -34.753 -2.532 -19.450 1.00 64.53 H new ATOM 0 HD12 LEU A 7 -36.083 -1.361 -19.614 1.00 64.53 H new ATOM 0 HD13 LEU A 7 -36.354 -3.076 -20.004 1.00 64.53 H new ATOM 0 HD21 LEU A 7 -33.650 -3.470 -21.466 1.00 75.21 H new ATOM 0 HD22 LEU A 7 -35.202 -4.056 -22.110 1.00 75.21 H new ATOM 0 HD23 LEU A 7 -34.182 -2.978 -23.092 1.00 75.21 H new ATOM 129 N ILE A 8 -36.775 1.937 -22.833 1.00 62.14 N ATOM 130 CA ILE A 8 -35.988 3.118 -23.216 1.00 4.14 C ATOM 131 C ILE A 8 -35.293 3.789 -22.013 1.00 55.32 C ATOM 132 O ILE A 8 -35.939 4.159 -21.031 1.00 72.53 O ATOM 133 CB ILE A 8 -36.880 4.158 -23.950 1.00 14.31 C ATOM 134 CG1 ILE A 8 -36.065 5.399 -24.361 1.00 12.32 C ATOM 135 CG2 ILE A 8 -38.078 4.557 -23.085 1.00 32.13 C ATOM 136 CD1 ILE A 8 -34.951 5.102 -25.346 1.00 12.25 C ATOM 0 H ILE A 8 -37.749 1.973 -23.132 1.00 62.14 H new ATOM 0 HA ILE A 8 -35.208 2.762 -23.889 1.00 4.14 H new ATOM 0 HB ILE A 8 -37.258 3.690 -24.859 1.00 14.31 H new ATOM 0 HG12 ILE A 8 -36.738 6.135 -24.800 1.00 12.32 H new ATOM 0 HG13 ILE A 8 -35.636 5.852 -23.467 1.00 12.32 H new ATOM 0 HG21 ILE A 8 -38.687 5.285 -23.620 1.00 32.13 H new ATOM 0 HG22 ILE A 8 -38.678 3.674 -22.865 1.00 32.13 H new ATOM 0 HG23 ILE A 8 -37.723 4.996 -22.152 1.00 32.13 H new ATOM 0 HD11 ILE A 8 -34.423 6.025 -25.587 1.00 12.25 H new ATOM 0 HD12 ILE A 8 -34.254 4.390 -24.903 1.00 12.25 H new ATOM 0 HD13 ILE A 8 -35.374 4.677 -26.256 1.00 12.25 H new ATOM 148 N ARG A 9 -33.969 3.937 -22.103 1.00 13.12 N ATOM 149 CA ARG A 9 -33.184 4.628 -21.071 1.00 42.12 C ATOM 150 C ARG A 9 -31.951 5.316 -21.685 1.00 43.23 C ATOM 151 O ARG A 9 -31.373 4.821 -22.658 1.00 20.24 O ATOM 152 CB ARG A 9 -32.768 3.652 -19.957 1.00 20.22 C ATOM 153 CG ARG A 9 -31.870 2.506 -20.417 1.00 75.41 C ATOM 154 CD ARG A 9 -31.583 1.528 -19.279 1.00 54.54 C ATOM 155 NE ARG A 9 -30.621 0.495 -19.660 1.00 32.20 N ATOM 156 CZ ARG A 9 -30.365 -0.572 -18.947 1.00 13.21 C ATOM 157 NH1 ARG A 9 -31.024 -0.817 -17.859 1.00 51.23 N ATOM 158 NH2 ARG A 9 -29.462 -1.404 -19.338 1.00 63.32 N ATOM 0 H ARG A 9 -33.414 3.586 -22.883 1.00 13.12 H new ATOM 0 HA ARG A 9 -33.814 5.400 -20.629 1.00 42.12 H new ATOM 0 HB2 ARG A 9 -32.251 4.211 -19.177 1.00 20.22 H new ATOM 0 HB3 ARG A 9 -33.667 3.233 -19.505 1.00 20.22 H new ATOM 0 HG2 ARG A 9 -32.348 1.977 -21.241 1.00 75.41 H new ATOM 0 HG3 ARG A 9 -30.931 2.908 -20.798 1.00 75.41 H new ATOM 0 HD2 ARG A 9 -31.200 2.078 -18.419 1.00 54.54 H new ATOM 0 HD3 ARG A 9 -32.514 1.056 -18.966 1.00 54.54 H new ATOM 0 HE ARG A 9 -30.117 0.614 -20.539 1.00 32.20 H new ATOM 0 HH11 ARG A 9 -31.753 -0.174 -17.549 1.00 51.23 H new ATOM 0 HH12 ARG A 9 -30.814 -1.653 -17.313 1.00 51.23 H new ATOM 0 HH21 ARG A 9 -28.948 -1.230 -20.202 1.00 63.32 H new ATOM 0 HH22 ARG A 9 -29.261 -2.236 -18.784 1.00 63.32 H new ATOM 172 N THR A 10 -31.560 6.461 -21.117 1.00 51.03 N ATOM 173 CA THR A 10 -30.477 7.292 -21.679 1.00 20.40 C ATOM 174 C THR A 10 -29.114 6.575 -21.712 1.00 32.23 C ATOM 175 O THR A 10 -28.908 5.545 -21.062 1.00 52.32 O ATOM 176 CB THR A 10 -30.314 8.619 -20.901 1.00 1.35 C ATOM 177 OG1 THR A 10 -29.309 9.436 -21.520 1.00 63.31 O ATOM 178 CG2 THR A 10 -29.934 8.358 -19.446 1.00 22.00 C ATOM 0 H THR A 10 -31.975 6.839 -20.266 1.00 51.03 H new ATOM 0 HA THR A 10 -30.782 7.495 -22.705 1.00 20.40 H new ATOM 0 HB THR A 10 -31.271 9.140 -20.923 1.00 1.35 H new ATOM 0 HG1 THR A 10 -29.215 10.274 -21.021 1.00 63.31 H new ATOM 0 HG21 THR A 10 -29.826 9.308 -18.922 1.00 22.00 H new ATOM 0 HG22 THR A 10 -30.714 7.766 -18.967 1.00 22.00 H new ATOM 0 HG23 THR A 10 -28.991 7.813 -19.408 1.00 22.00 H new ATOM 186 N ARG A 11 -28.173 7.150 -22.461 1.00 2.23 N ATOM 187 CA ARG A 11 -26.847 6.555 -22.649 1.00 22.22 C ATOM 188 C ARG A 11 -25.880 6.950 -21.518 1.00 72.13 C ATOM 189 O ARG A 11 -25.783 8.123 -21.146 1.00 21.40 O ATOM 190 CB ARG A 11 -26.265 6.988 -24.002 1.00 43.11 C ATOM 191 CG ARG A 11 -27.125 6.601 -25.203 1.00 75.50 C ATOM 192 CD ARG A 11 -27.277 5.089 -25.329 1.00 52.50 C ATOM 193 NE ARG A 11 -25.993 4.422 -25.544 1.00 12.10 N ATOM 194 CZ ARG A 11 -25.822 3.128 -25.504 1.00 54.31 C ATOM 195 NH1 ARG A 11 -26.812 2.342 -25.229 1.00 23.41 N ATOM 196 NH2 ARG A 11 -24.653 2.622 -25.728 1.00 54.20 N ATOM 0 H ARG A 11 -28.305 8.034 -22.952 1.00 2.23 H new ATOM 0 HA ARG A 11 -26.964 5.472 -22.628 1.00 22.22 H new ATOM 0 HB2 ARG A 11 -26.131 8.070 -23.998 1.00 43.11 H new ATOM 0 HB3 ARG A 11 -25.276 6.545 -24.119 1.00 43.11 H new ATOM 0 HG2 ARG A 11 -28.110 7.058 -25.107 1.00 75.50 H new ATOM 0 HG3 ARG A 11 -26.677 6.998 -26.114 1.00 75.50 H new ATOM 0 HD2 ARG A 11 -27.742 4.696 -24.425 1.00 52.50 H new ATOM 0 HD3 ARG A 11 -27.947 4.860 -26.158 1.00 52.50 H new ATOM 0 HE ARG A 11 -25.179 5.005 -25.738 1.00 12.10 H new ATOM 0 HH11 ARG A 11 -27.736 2.732 -25.041 1.00 23.41 H new ATOM 0 HH12 ARG A 11 -26.669 1.333 -25.200 1.00 23.41 H new ATOM 0 HH21 ARG A 11 -23.864 3.234 -25.936 1.00 54.20 H new ATOM 0 HH22 ARG A 11 -24.520 1.611 -25.697 1.00 54.20 H new ATOM 210 N GLY A 12 -25.159 5.966 -20.983 1.00 53.41 N ATOM 211 CA GLY A 12 -24.190 6.230 -19.924 1.00 24.04 C ATOM 212 C GLY A 12 -23.748 4.964 -19.193 1.00 43.04 C ATOM 213 O GLY A 12 -24.520 4.013 -19.065 1.00 72.11 O ATOM 0 H GLY A 12 -25.227 4.988 -21.263 1.00 53.41 H new ATOM 0 HA2 GLY A 12 -23.316 6.720 -20.353 1.00 24.04 H new ATOM 0 HA3 GLY A 12 -24.625 6.925 -19.206 1.00 24.04 H new ATOM 217 N GLY A 13 -22.496 4.947 -18.723 1.00 31.22 N ATOM 218 CA GLY A 13 -21.975 3.802 -17.974 1.00 24.13 C ATOM 219 C GLY A 13 -20.807 3.101 -18.668 1.00 55.21 C ATOM 220 O GLY A 13 -20.852 1.893 -18.906 1.00 34.15 O ATOM 0 H GLY A 13 -21.829 5.709 -18.848 1.00 31.22 H new ATOM 0 HA2 GLY A 13 -21.653 4.138 -16.989 1.00 24.13 H new ATOM 0 HA3 GLY A 13 -22.779 3.083 -17.818 1.00 24.13 H new ATOM 224 N ASN A 14 -19.749 3.852 -18.985 1.00 1.44 N ATOM 225 CA ASN A 14 -18.564 3.285 -19.651 1.00 64.44 C ATOM 226 C ASN A 14 -17.903 2.193 -18.787 1.00 24.30 C ATOM 227 O ASN A 14 -17.477 2.450 -17.663 1.00 34.42 O ATOM 228 CB ASN A 14 -17.557 4.390 -19.976 1.00 44.03 C ATOM 229 CG ASN A 14 -16.496 3.886 -20.929 1.00 53.31 C ATOM 230 OD1 ASN A 14 -16.593 4.052 -22.141 1.00 74.41 O ATOM 231 ND2 ASN A 14 -15.500 3.224 -20.396 1.00 52.54 N ATOM 0 H ASN A 14 -19.685 4.852 -18.794 1.00 1.44 H new ATOM 0 HA ASN A 14 -18.892 2.821 -20.581 1.00 64.44 H new ATOM 0 HB2 ASN A 14 -18.075 5.241 -20.418 1.00 44.03 H new ATOM 0 HB3 ASN A 14 -17.089 4.743 -19.057 1.00 44.03 H new ATOM 0 HD21 ASN A 14 -14.774 2.828 -20.993 1.00 52.54 H new ATOM 0 HD22 ASN A 14 -15.450 3.105 -19.384 1.00 52.54 H new ATOM 238 N THR A 15 -17.821 0.976 -19.329 1.00 62.02 N ATOM 239 CA THR A 15 -17.291 -0.180 -18.586 1.00 14.21 C ATOM 240 C THR A 15 -15.779 -0.054 -18.329 1.00 70.31 C ATOM 241 O THR A 15 -14.962 -0.230 -19.238 1.00 71.21 O ATOM 242 CB THR A 15 -17.564 -1.511 -19.331 1.00 40.43 C ATOM 243 OG1 THR A 15 -18.964 -1.634 -19.636 1.00 30.25 O ATOM 244 CG2 THR A 15 -17.127 -2.713 -18.497 1.00 13.12 C ATOM 0 H THR A 15 -18.114 0.761 -20.282 1.00 62.02 H new ATOM 0 HA THR A 15 -17.813 -0.189 -17.629 1.00 14.21 H new ATOM 0 HB THR A 15 -16.985 -1.495 -20.254 1.00 40.43 H new ATOM 0 HG1 THR A 15 -19.123 -2.478 -20.108 1.00 30.25 H new ATOM 0 HG21 THR A 15 -17.332 -3.631 -19.047 1.00 13.12 H new ATOM 0 HG22 THR A 15 -16.059 -2.644 -18.291 1.00 13.12 H new ATOM 0 HG23 THR A 15 -17.678 -2.723 -17.557 1.00 13.12 H new ATOM 252 N LYS A 16 -15.413 0.250 -17.087 1.00 55.11 N ATOM 253 CA LYS A 16 -14.001 0.395 -16.706 1.00 50.03 C ATOM 254 C LYS A 16 -13.390 -0.943 -16.261 1.00 14.11 C ATOM 255 O LYS A 16 -14.083 -1.824 -15.740 1.00 60.10 O ATOM 256 CB LYS A 16 -13.845 1.443 -15.592 1.00 23.41 C ATOM 257 CG LYS A 16 -14.529 1.076 -14.277 1.00 41.24 C ATOM 258 CD LYS A 16 -14.257 2.121 -13.196 1.00 63.44 C ATOM 259 CE LYS A 16 -14.890 1.744 -11.860 1.00 24.43 C ATOM 260 NZ LYS A 16 -16.375 1.705 -11.933 1.00 60.23 N ATOM 0 H LYS A 16 -16.071 0.402 -16.323 1.00 55.11 H new ATOM 0 HA LYS A 16 -13.460 0.732 -17.590 1.00 50.03 H new ATOM 0 HB2 LYS A 16 -12.783 1.599 -15.403 1.00 23.41 H new ATOM 0 HB3 LYS A 16 -14.249 2.392 -15.944 1.00 23.41 H new ATOM 0 HG2 LYS A 16 -15.604 0.987 -14.437 1.00 41.24 H new ATOM 0 HG3 LYS A 16 -14.175 0.102 -13.941 1.00 41.24 H new ATOM 0 HD2 LYS A 16 -13.181 2.236 -13.067 1.00 63.44 H new ATOM 0 HD3 LYS A 16 -14.645 3.087 -13.520 1.00 63.44 H new ATOM 0 HE2 LYS A 16 -14.518 0.769 -11.546 1.00 24.43 H new ATOM 0 HE3 LYS A 16 -14.584 2.462 -11.099 1.00 24.43 H new ATOM 0 HZ1 LYS A 16 -16.752 1.238 -11.084 1.00 60.23 H new ATOM 0 HZ2 LYS A 16 -16.745 2.675 -11.988 1.00 60.23 H new ATOM 0 HZ3 LYS A 16 -16.667 1.174 -12.778 1.00 60.23 H new ATOM 274 N VAL A 17 -12.084 -1.087 -16.461 1.00 51.40 N ATOM 275 CA VAL A 17 -11.378 -2.325 -16.123 1.00 64.24 C ATOM 276 C VAL A 17 -10.738 -2.254 -14.726 1.00 11.54 C ATOM 277 O VAL A 17 -10.299 -1.194 -14.281 1.00 61.33 O ATOM 278 CB VAL A 17 -10.286 -2.654 -17.177 1.00 21.02 C ATOM 279 CG1 VAL A 17 -9.207 -1.576 -17.204 1.00 23.31 C ATOM 280 CG2 VAL A 17 -9.675 -4.033 -16.922 1.00 43.13 C ATOM 0 H VAL A 17 -11.488 -0.360 -16.857 1.00 51.40 H new ATOM 0 HA VAL A 17 -12.124 -3.120 -16.121 1.00 64.24 H new ATOM 0 HB VAL A 17 -10.764 -2.674 -18.157 1.00 21.02 H new ATOM 0 HG11 VAL A 17 -8.455 -1.832 -17.951 1.00 23.31 H new ATOM 0 HG12 VAL A 17 -9.658 -0.616 -17.457 1.00 23.31 H new ATOM 0 HG13 VAL A 17 -8.736 -1.508 -16.223 1.00 23.31 H new ATOM 0 HG21 VAL A 17 -8.913 -4.238 -17.674 1.00 43.13 H new ATOM 0 HG22 VAL A 17 -9.221 -4.052 -15.931 1.00 43.13 H new ATOM 0 HG23 VAL A 17 -10.455 -4.793 -16.979 1.00 43.13 H new ATOM 290 N ARG A 18 -10.736 -3.383 -14.023 1.00 74.12 N ATOM 291 CA ARG A 18 -10.038 -3.496 -12.733 1.00 63.41 C ATOM 292 C ARG A 18 -8.505 -3.380 -12.895 1.00 51.52 C ATOM 293 O ARG A 18 -7.998 -3.123 -13.989 1.00 32.33 O ATOM 294 CB ARG A 18 -10.398 -4.827 -12.031 1.00 71.14 C ATOM 295 CG ARG A 18 -9.841 -6.093 -12.699 1.00 24.51 C ATOM 296 CD ARG A 18 -10.533 -6.420 -14.021 1.00 2.33 C ATOM 297 NE ARG A 18 -10.044 -7.667 -14.608 1.00 53.24 N ATOM 298 CZ ARG A 18 -10.406 -8.122 -15.778 1.00 52.24 C ATOM 299 NH1 ARG A 18 -11.289 -7.491 -16.488 1.00 73.12 N ATOM 300 NH2 ARG A 18 -9.896 -9.221 -16.229 1.00 62.32 N ATOM 0 H ARG A 18 -11.209 -4.237 -14.320 1.00 74.12 H new ATOM 0 HA ARG A 18 -10.372 -2.664 -12.113 1.00 63.41 H new ATOM 0 HB2 ARG A 18 -10.034 -4.787 -11.004 1.00 71.14 H new ATOM 0 HB3 ARG A 18 -11.484 -4.910 -11.981 1.00 71.14 H new ATOM 0 HG2 ARG A 18 -8.773 -5.965 -12.876 1.00 24.51 H new ATOM 0 HG3 ARG A 18 -9.953 -6.937 -12.018 1.00 24.51 H new ATOM 0 HD2 ARG A 18 -11.608 -6.495 -13.857 1.00 2.33 H new ATOM 0 HD3 ARG A 18 -10.374 -5.603 -14.724 1.00 2.33 H new ATOM 0 HE ARG A 18 -9.376 -8.218 -14.068 1.00 53.24 H new ATOM 0 HH11 ARG A 18 -11.708 -6.631 -16.134 1.00 73.12 H new ATOM 0 HH12 ARG A 18 -11.565 -7.855 -17.400 1.00 73.12 H new ATOM 0 HH21 ARG A 18 -9.212 -9.732 -15.672 1.00 62.32 H new ATOM 0 HH22 ARG A 18 -10.178 -9.577 -17.142 1.00 62.32 H new ATOM 314 N LEU A 19 -7.771 -3.619 -11.803 1.00 25.14 N ATOM 315 CA LEU A 19 -6.300 -3.468 -11.777 1.00 34.50 C ATOM 316 C LEU A 19 -5.560 -4.316 -12.838 1.00 71.22 C ATOM 317 O LEU A 19 -4.333 -4.254 -12.934 1.00 5.22 O ATOM 318 CB LEU A 19 -5.749 -3.823 -10.385 1.00 71.21 C ATOM 319 CG LEU A 19 -5.796 -5.320 -10.007 1.00 5.43 C ATOM 320 CD1 LEU A 19 -4.889 -5.598 -8.816 1.00 11.33 C ATOM 321 CD2 LEU A 19 -7.228 -5.774 -9.708 1.00 3.31 C ATOM 0 H LEU A 19 -8.170 -3.921 -10.914 1.00 25.14 H new ATOM 0 HA LEU A 19 -6.112 -2.421 -12.016 1.00 34.50 H new ATOM 0 HB2 LEU A 19 -4.714 -3.485 -10.327 1.00 71.21 H new ATOM 0 HB3 LEU A 19 -6.310 -3.261 -9.638 1.00 71.21 H new ATOM 0 HG LEU A 19 -5.436 -5.892 -10.862 1.00 5.43 H new ATOM 0 HD11 LEU A 19 -4.935 -6.657 -8.563 1.00 11.33 H new ATOM 0 HD12 LEU A 19 -3.863 -5.329 -9.069 1.00 11.33 H new ATOM 0 HD13 LEU A 19 -5.219 -5.007 -7.962 1.00 11.33 H new ATOM 0 HD21 LEU A 19 -7.227 -6.832 -9.445 1.00 3.31 H new ATOM 0 HD22 LEU A 19 -7.627 -5.194 -8.876 1.00 3.31 H new ATOM 0 HD23 LEU A 19 -7.850 -5.620 -10.590 1.00 3.31 H new ATOM 333 N ALA A 20 -6.298 -5.111 -13.611 1.00 32.34 N ATOM 334 CA ALA A 20 -5.711 -5.947 -14.663 1.00 41.10 C ATOM 335 C ALA A 20 -4.901 -5.121 -15.677 1.00 11.41 C ATOM 336 O ALA A 20 -3.815 -5.526 -16.100 1.00 33.24 O ATOM 337 CB ALA A 20 -6.809 -6.721 -15.380 1.00 14.22 C ATOM 0 H ALA A 20 -7.311 -5.195 -13.529 1.00 32.34 H new ATOM 0 HA ALA A 20 -5.021 -6.642 -14.184 1.00 41.10 H new ATOM 0 HB1 ALA A 20 -6.367 -7.340 -16.161 1.00 14.22 H new ATOM 0 HB2 ALA A 20 -7.332 -7.356 -14.665 1.00 14.22 H new ATOM 0 HB3 ALA A 20 -7.514 -6.021 -15.828 1.00 14.22 H new ATOM 343 N SER A 21 -5.440 -3.971 -16.073 1.00 45.14 N ATOM 344 CA SER A 21 -4.757 -3.078 -17.022 1.00 41.34 C ATOM 345 C SER A 21 -3.989 -1.967 -16.291 1.00 14.21 C ATOM 346 O SER A 21 -2.920 -1.537 -16.733 1.00 2.32 O ATOM 347 CB SER A 21 -5.765 -2.453 -17.996 1.00 42.13 C ATOM 348 OG SER A 21 -6.480 -3.449 -18.720 1.00 0.33 O ATOM 0 H SER A 21 -6.347 -3.630 -15.755 1.00 45.14 H new ATOM 0 HA SER A 21 -4.042 -3.681 -17.582 1.00 41.34 H new ATOM 0 HB2 SER A 21 -6.468 -1.829 -17.443 1.00 42.13 H new ATOM 0 HB3 SER A 21 -5.241 -1.801 -18.694 1.00 42.13 H new ATOM 0 HG SER A 21 -7.115 -3.018 -19.330 1.00 0.33 H new ATOM 354 N ASP A 22 -4.544 -1.499 -15.176 1.00 65.42 N ATOM 355 CA ASP A 22 -3.912 -0.456 -14.367 1.00 12.12 C ATOM 356 C ASP A 22 -3.827 -0.878 -12.890 1.00 41.40 C ATOM 357 O ASP A 22 -4.789 -0.755 -12.127 1.00 0.01 O ATOM 358 CB ASP A 22 -4.670 0.873 -14.527 1.00 73.20 C ATOM 359 CG ASP A 22 -6.176 0.719 -14.359 1.00 0.31 C ATOM 360 OD1 ASP A 22 -6.803 0.027 -15.191 1.00 42.44 O ATOM 361 OD2 ASP A 22 -6.746 1.302 -13.411 1.00 21.20 O ATOM 0 H ASP A 22 -5.437 -1.828 -14.809 1.00 65.42 H new ATOM 0 HA ASP A 22 -2.892 -0.312 -14.723 1.00 12.12 H new ATOM 0 HB2 ASP A 22 -4.299 1.588 -13.793 1.00 73.20 H new ATOM 0 HB3 ASP A 22 -4.460 1.289 -15.512 1.00 73.20 H new ATOM 366 N THR A 23 -2.670 -1.411 -12.502 1.00 32.33 N ATOM 367 CA THR A 23 -2.451 -1.885 -11.127 1.00 40.12 C ATOM 368 C THR A 23 -2.227 -0.705 -10.173 1.00 51.41 C ATOM 369 O THR A 23 -1.209 -0.019 -10.253 1.00 23.22 O ATOM 370 CB THR A 23 -1.227 -2.830 -11.057 1.00 51.23 C ATOM 371 OG1 THR A 23 -1.316 -3.829 -12.087 1.00 54.12 O ATOM 372 CG2 THR A 23 -1.123 -3.512 -9.698 1.00 64.01 C ATOM 0 H THR A 23 -1.865 -1.528 -13.118 1.00 32.33 H new ATOM 0 HA THR A 23 -3.344 -2.431 -10.823 1.00 40.12 H new ATOM 0 HB THR A 23 -0.333 -2.224 -11.205 1.00 51.23 H new ATOM 0 HG1 THR A 23 -2.254 -3.954 -12.341 1.00 54.12 H new ATOM 0 HG21 THR A 23 -0.252 -4.168 -9.686 1.00 64.01 H new ATOM 0 HG22 THR A 23 -1.020 -2.757 -8.919 1.00 64.01 H new ATOM 0 HG23 THR A 23 -2.023 -4.100 -9.516 1.00 64.01 H new ATOM 380 N ARG A 24 -3.158 -0.490 -9.250 1.00 34.42 N ATOM 381 CA ARG A 24 -3.120 0.697 -8.392 1.00 50.31 C ATOM 382 C ARG A 24 -3.703 0.417 -6.996 1.00 12.23 C ATOM 383 O ARG A 24 -4.533 -0.473 -6.825 1.00 31.12 O ATOM 384 CB ARG A 24 -3.890 1.829 -9.085 1.00 2.42 C ATOM 385 CG ARG A 24 -3.697 3.203 -8.460 1.00 32.43 C ATOM 386 CD ARG A 24 -4.316 4.294 -9.325 1.00 50.10 C ATOM 387 NE ARG A 24 -3.764 4.287 -10.682 1.00 10.23 N ATOM 388 CZ ARG A 24 -4.319 4.879 -11.703 1.00 52.21 C ATOM 389 NH1 ARG A 24 -5.430 5.527 -11.563 1.00 74.12 N ATOM 390 NH2 ARG A 24 -3.759 4.815 -12.866 1.00 63.24 N ATOM 0 H ARG A 24 -3.945 -1.115 -9.074 1.00 34.42 H new ATOM 0 HA ARG A 24 -2.080 0.989 -8.243 1.00 50.31 H new ATOM 0 HB2 ARG A 24 -3.582 1.873 -10.130 1.00 2.42 H new ATOM 0 HB3 ARG A 24 -4.953 1.586 -9.076 1.00 2.42 H new ATOM 0 HG2 ARG A 24 -4.149 3.221 -7.468 1.00 32.43 H new ATOM 0 HG3 ARG A 24 -2.633 3.399 -8.329 1.00 32.43 H new ATOM 0 HD2 ARG A 24 -5.396 4.154 -9.371 1.00 50.10 H new ATOM 0 HD3 ARG A 24 -4.140 5.267 -8.865 1.00 50.10 H new ATOM 0 HE ARG A 24 -2.889 3.787 -10.838 1.00 10.23 H new ATOM 0 HH11 ARG A 24 -5.879 5.578 -10.649 1.00 74.12 H new ATOM 0 HH12 ARG A 24 -5.857 5.987 -12.367 1.00 74.12 H new ATOM 0 HH21 ARG A 24 -2.885 4.302 -12.984 1.00 63.24 H new ATOM 0 HH22 ARG A 24 -4.191 5.277 -13.666 1.00 63.24 H new ATOM 404 N ILE A 25 -3.258 1.187 -6.004 1.00 30.34 N ATOM 405 CA ILE A 25 -3.684 1.000 -4.614 1.00 42.34 C ATOM 406 C ILE A 25 -3.702 2.334 -3.841 1.00 62.31 C ATOM 407 O ILE A 25 -2.884 3.222 -4.090 1.00 61.35 O ATOM 408 CB ILE A 25 -2.750 -0.007 -3.884 1.00 33.25 C ATOM 409 CG1 ILE A 25 -3.220 -0.248 -2.439 1.00 73.23 C ATOM 410 CG2 ILE A 25 -1.303 0.489 -3.905 1.00 64.22 C ATOM 411 CD1 ILE A 25 -2.403 -1.284 -1.692 1.00 62.05 C ATOM 0 H ILE A 25 -2.597 1.953 -6.137 1.00 30.34 H new ATOM 0 HA ILE A 25 -4.698 0.602 -4.640 1.00 42.34 H new ATOM 0 HB ILE A 25 -2.797 -0.957 -4.416 1.00 33.25 H new ATOM 0 HG12 ILE A 25 -3.181 0.694 -1.893 1.00 73.23 H new ATOM 0 HG13 ILE A 25 -4.263 -0.564 -2.455 1.00 73.23 H new ATOM 0 HG21 ILE A 25 -0.665 -0.229 -3.390 1.00 64.22 H new ATOM 0 HG22 ILE A 25 -0.970 0.595 -4.937 1.00 64.22 H new ATOM 0 HG23 ILE A 25 -1.242 1.455 -3.403 1.00 64.22 H new ATOM 0 HD11 ILE A 25 -2.796 -1.398 -0.682 1.00 62.05 H new ATOM 0 HD12 ILE A 25 -2.462 -2.239 -2.214 1.00 62.05 H new ATOM 0 HD13 ILE A 25 -1.363 -0.961 -1.643 1.00 62.05 H new ATOM 423 N ASN A 26 -4.644 2.470 -2.911 1.00 52.13 N ATOM 424 CA ASN A 26 -4.727 3.652 -2.048 1.00 72.14 C ATOM 425 C ASN A 26 -3.986 3.395 -0.732 1.00 63.35 C ATOM 426 O ASN A 26 -4.401 2.559 0.076 1.00 42.25 O ATOM 427 CB ASN A 26 -6.190 4.014 -1.777 1.00 71.44 C ATOM 428 CG ASN A 26 -6.938 4.331 -3.054 1.00 72.54 C ATOM 429 OD1 ASN A 26 -7.015 5.474 -3.477 1.00 21.24 O ATOM 430 ND2 ASN A 26 -7.486 3.315 -3.687 1.00 43.23 N ATOM 0 H ASN A 26 -5.367 1.773 -2.733 1.00 52.13 H new ATOM 0 HA ASN A 26 -4.254 4.492 -2.557 1.00 72.14 H new ATOM 0 HB2 ASN A 26 -6.680 3.186 -1.265 1.00 71.44 H new ATOM 0 HB3 ASN A 26 -6.234 4.873 -1.108 1.00 71.44 H new ATOM 0 HD21 ASN A 26 -7.993 3.471 -4.558 1.00 43.23 H new ATOM 0 HD22 ASN A 26 -7.403 2.372 -3.306 1.00 43.23 H new ATOM 437 N VAL A 27 -2.888 4.110 -0.533 1.00 43.21 N ATOM 438 CA VAL A 27 -1.999 3.877 0.607 1.00 40.22 C ATOM 439 C VAL A 27 -2.197 4.923 1.717 1.00 72.54 C ATOM 440 O VAL A 27 -2.204 6.126 1.461 1.00 44.03 O ATOM 441 CB VAL A 27 -0.522 3.905 0.147 1.00 54.41 C ATOM 442 CG1 VAL A 27 0.419 3.507 1.281 1.00 51.44 C ATOM 443 CG2 VAL A 27 -0.320 3.009 -1.074 1.00 13.44 C ATOM 0 H VAL A 27 -2.586 4.864 -1.150 1.00 43.21 H new ATOM 0 HA VAL A 27 -2.249 2.896 1.012 1.00 40.22 H new ATOM 0 HB VAL A 27 -0.278 4.928 -0.138 1.00 54.41 H new ATOM 0 HG11 VAL A 27 1.449 3.536 0.926 1.00 51.44 H new ATOM 0 HG12 VAL A 27 0.302 4.202 2.112 1.00 51.44 H new ATOM 0 HG13 VAL A 27 0.179 2.498 1.616 1.00 51.44 H new ATOM 0 HG21 VAL A 27 0.725 3.043 -1.381 1.00 13.44 H new ATOM 0 HG22 VAL A 27 -0.591 1.984 -0.822 1.00 13.44 H new ATOM 0 HG23 VAL A 27 -0.950 3.360 -1.891 1.00 13.44 H new ATOM 453 N VAL A 28 -2.346 4.456 2.954 1.00 45.43 N ATOM 454 CA VAL A 28 -2.471 5.353 4.107 1.00 54.54 C ATOM 455 C VAL A 28 -1.109 5.572 4.780 1.00 22.31 C ATOM 456 O VAL A 28 -0.463 4.624 5.233 1.00 32.15 O ATOM 457 CB VAL A 28 -3.473 4.805 5.152 1.00 52.14 C ATOM 458 CG1 VAL A 28 -3.645 5.792 6.314 1.00 13.21 C ATOM 459 CG2 VAL A 28 -4.816 4.499 4.495 1.00 64.35 C ATOM 0 H VAL A 28 -2.383 3.464 3.187 1.00 45.43 H new ATOM 0 HA VAL A 28 -2.847 6.304 3.729 1.00 54.54 H new ATOM 0 HB VAL A 28 -3.071 3.877 5.558 1.00 52.14 H new ATOM 0 HG11 VAL A 28 -4.354 5.385 7.035 1.00 13.21 H new ATOM 0 HG12 VAL A 28 -2.683 5.952 6.801 1.00 13.21 H new ATOM 0 HG13 VAL A 28 -4.021 6.741 5.932 1.00 13.21 H new ATOM 0 HG21 VAL A 28 -5.508 4.115 5.244 1.00 64.35 H new ATOM 0 HG22 VAL A 28 -5.223 5.411 4.058 1.00 64.35 H new ATOM 0 HG23 VAL A 28 -4.677 3.753 3.713 1.00 64.35 H new ATOM 469 N ASP A 29 -0.682 6.826 4.832 1.00 22.21 N ATOM 470 CA ASP A 29 0.603 7.193 5.426 1.00 34.35 C ATOM 471 C ASP A 29 0.516 7.210 6.970 1.00 1.31 C ATOM 472 O ASP A 29 -0.230 8.007 7.545 1.00 53.33 O ATOM 473 CB ASP A 29 1.016 8.576 4.895 1.00 72.45 C ATOM 474 CG ASP A 29 2.474 8.919 5.151 1.00 42.51 C ATOM 475 OD1 ASP A 29 2.978 8.631 6.252 1.00 73.15 O ATOM 476 OD2 ASP A 29 3.111 9.507 4.252 1.00 42.13 O ATOM 0 H ASP A 29 -1.212 7.617 4.466 1.00 22.21 H new ATOM 0 HA ASP A 29 1.352 6.452 5.148 1.00 34.35 H new ATOM 0 HB2 ASP A 29 0.826 8.615 3.822 1.00 72.45 H new ATOM 0 HB3 ASP A 29 0.387 9.336 5.358 1.00 72.45 H new ATOM 481 N PRO A 30 1.274 6.335 7.666 1.00 44.21 N ATOM 482 CA PRO A 30 1.279 6.282 9.138 1.00 11.12 C ATOM 483 C PRO A 30 2.161 7.376 9.776 1.00 52.32 C ATOM 484 O PRO A 30 2.034 7.678 10.967 1.00 41.21 O ATOM 485 CB PRO A 30 1.852 4.888 9.415 1.00 4.41 C ATOM 486 CG PRO A 30 2.801 4.658 8.291 1.00 55.53 C ATOM 487 CD PRO A 30 2.183 5.323 7.082 1.00 74.04 C ATOM 0 HA PRO A 30 0.290 6.455 9.563 1.00 11.12 H new ATOM 0 HB2 PRO A 30 2.359 4.849 10.379 1.00 4.41 H new ATOM 0 HB3 PRO A 30 1.068 4.131 9.436 1.00 4.41 H new ATOM 0 HG2 PRO A 30 3.780 5.084 8.513 1.00 55.53 H new ATOM 0 HG3 PRO A 30 2.949 3.592 8.117 1.00 55.53 H new ATOM 0 HD2 PRO A 30 2.940 5.783 6.447 1.00 74.04 H new ATOM 0 HD3 PRO A 30 1.641 4.607 6.464 1.00 74.04 H new ATOM 495 N GLU A 31 3.048 7.970 8.978 1.00 53.23 N ATOM 496 CA GLU A 31 3.957 9.017 9.460 1.00 32.20 C ATOM 497 C GLU A 31 3.316 10.416 9.356 1.00 40.13 C ATOM 498 O GLU A 31 3.437 11.237 10.270 1.00 14.43 O ATOM 499 CB GLU A 31 5.269 8.992 8.655 1.00 31.51 C ATOM 500 CG GLU A 31 6.051 7.682 8.759 1.00 23.43 C ATOM 501 CD GLU A 31 6.659 7.458 10.136 1.00 4.42 C ATOM 502 OE1 GLU A 31 7.734 8.035 10.421 1.00 24.04 O ATOM 503 OE2 GLU A 31 6.068 6.708 10.942 1.00 55.23 O ATOM 0 H GLU A 31 3.159 7.744 7.989 1.00 53.23 H new ATOM 0 HA GLU A 31 4.166 8.814 10.510 1.00 32.20 H new ATOM 0 HB2 GLU A 31 5.041 9.182 7.606 1.00 31.51 H new ATOM 0 HB3 GLU A 31 5.905 9.809 8.996 1.00 31.51 H new ATOM 0 HG2 GLU A 31 5.388 6.850 8.521 1.00 23.43 H new ATOM 0 HG3 GLU A 31 6.845 7.680 8.013 1.00 23.43 H new ATOM 510 N THR A 32 2.649 10.689 8.235 1.00 74.34 N ATOM 511 CA THR A 32 2.043 12.015 7.993 1.00 71.23 C ATOM 512 C THR A 32 0.511 11.998 8.129 1.00 13.02 C ATOM 513 O THR A 32 -0.102 13.023 8.436 1.00 22.42 O ATOM 514 CB THR A 32 2.412 12.563 6.591 1.00 62.32 C ATOM 515 OG1 THR A 32 1.729 11.822 5.565 1.00 52.45 O ATOM 516 CG2 THR A 32 3.919 12.487 6.354 1.00 22.03 C ATOM 0 H THR A 32 2.510 10.019 7.478 1.00 74.34 H new ATOM 0 HA THR A 32 2.453 12.669 8.762 1.00 71.23 H new ATOM 0 HB THR A 32 2.101 13.607 6.550 1.00 62.32 H new ATOM 0 HG1 THR A 32 2.334 11.678 4.808 1.00 52.45 H new ATOM 0 HG21 THR A 32 4.152 12.877 5.363 1.00 22.03 H new ATOM 0 HG22 THR A 32 4.436 13.080 7.108 1.00 22.03 H new ATOM 0 HG23 THR A 32 4.246 11.449 6.421 1.00 22.03 H new ATOM 524 N GLY A 33 -0.108 10.842 7.887 1.00 34.11 N ATOM 525 CA GLY A 33 -1.559 10.711 8.049 1.00 30.42 C ATOM 526 C GLY A 33 -2.366 11.040 6.791 1.00 70.35 C ATOM 527 O GLY A 33 -3.580 11.256 6.865 1.00 40.12 O ATOM 0 H GLY A 33 0.365 9.991 7.582 1.00 34.11 H new ATOM 0 HA2 GLY A 33 -1.788 9.691 8.357 1.00 30.42 H new ATOM 0 HA3 GLY A 33 -1.883 11.368 8.856 1.00 30.42 H new ATOM 531 N LYS A 34 -1.706 11.082 5.635 1.00 74.40 N ATOM 532 CA LYS A 34 -2.400 11.334 4.363 1.00 70.31 C ATOM 533 C LYS A 34 -2.706 10.023 3.622 1.00 14.24 C ATOM 534 O LYS A 34 -1.919 9.076 3.665 1.00 61.30 O ATOM 535 CB LYS A 34 -1.560 12.245 3.450 1.00 23.24 C ATOM 536 CG LYS A 34 -0.280 11.593 2.922 1.00 31.01 C ATOM 537 CD LYS A 34 0.359 12.411 1.803 1.00 73.51 C ATOM 538 CE LYS A 34 1.608 11.731 1.250 1.00 32.04 C ATOM 539 NZ LYS A 34 2.156 12.445 0.063 1.00 64.13 N ATOM 0 H LYS A 34 -0.699 10.946 5.547 1.00 74.40 H new ATOM 0 HA LYS A 34 -3.340 11.831 4.605 1.00 70.31 H new ATOM 0 HB2 LYS A 34 -2.172 12.556 2.603 1.00 23.24 H new ATOM 0 HB3 LYS A 34 -1.295 13.148 4.001 1.00 23.24 H new ATOM 0 HG2 LYS A 34 0.432 11.478 3.739 1.00 31.01 H new ATOM 0 HG3 LYS A 34 -0.508 10.592 2.555 1.00 31.01 H new ATOM 0 HD2 LYS A 34 -0.363 12.555 0.999 1.00 73.51 H new ATOM 0 HD3 LYS A 34 0.619 13.401 2.179 1.00 73.51 H new ATOM 0 HE2 LYS A 34 2.370 11.685 2.028 1.00 32.04 H new ATOM 0 HE3 LYS A 34 1.370 10.703 0.976 1.00 32.04 H new ATOM 0 HZ1 LYS A 34 3.124 12.114 -0.125 1.00 64.13 H new ATOM 0 HZ2 LYS A 34 1.557 12.253 -0.765 1.00 64.13 H new ATOM 0 HZ3 LYS A 34 2.171 13.468 0.249 1.00 64.13 H new ATOM 553 N VAL A 35 -3.853 9.964 2.951 1.00 23.54 N ATOM 554 CA VAL A 35 -4.157 8.840 2.063 1.00 64.43 C ATOM 555 C VAL A 35 -3.623 9.130 0.650 1.00 10.32 C ATOM 556 O VAL A 35 -4.241 9.862 -0.129 1.00 22.41 O ATOM 557 CB VAL A 35 -5.677 8.534 2.002 1.00 21.25 C ATOM 558 CG1 VAL A 35 -5.958 7.357 1.065 1.00 71.01 C ATOM 559 CG2 VAL A 35 -6.224 8.259 3.406 1.00 2.52 C ATOM 0 H VAL A 35 -4.584 10.674 3.003 1.00 23.54 H new ATOM 0 HA VAL A 35 -3.663 7.958 2.471 1.00 64.43 H new ATOM 0 HB VAL A 35 -6.188 9.409 1.602 1.00 21.25 H new ATOM 0 HG11 VAL A 35 -7.030 7.161 1.038 1.00 71.01 H new ATOM 0 HG12 VAL A 35 -5.608 7.599 0.061 1.00 71.01 H new ATOM 0 HG13 VAL A 35 -5.436 6.471 1.427 1.00 71.01 H new ATOM 0 HG21 VAL A 35 -7.291 8.046 3.345 1.00 2.52 H new ATOM 0 HG22 VAL A 35 -5.707 7.401 3.836 1.00 2.52 H new ATOM 0 HG23 VAL A 35 -6.064 9.133 4.037 1.00 2.52 H new ATOM 569 N GLU A 36 -2.451 8.582 0.348 1.00 44.44 N ATOM 570 CA GLU A 36 -1.771 8.826 -0.928 1.00 62.11 C ATOM 571 C GLU A 36 -1.967 7.646 -1.888 1.00 32.35 C ATOM 572 O GLU A 36 -1.892 6.488 -1.484 1.00 35.43 O ATOM 573 CB GLU A 36 -0.273 9.058 -0.678 1.00 1.23 C ATOM 574 CG GLU A 36 0.529 9.392 -1.933 1.00 35.51 C ATOM 575 CD GLU A 36 0.076 10.682 -2.596 1.00 31.22 C ATOM 576 OE1 GLU A 36 0.395 11.767 -2.065 1.00 43.33 O ATOM 577 OE2 GLU A 36 -0.609 10.620 -3.641 1.00 24.44 O ATOM 0 H GLU A 36 -1.944 7.958 0.975 1.00 44.44 H new ATOM 0 HA GLU A 36 -2.205 9.714 -1.388 1.00 62.11 H new ATOM 0 HB2 GLU A 36 -0.158 9.870 0.039 1.00 1.23 H new ATOM 0 HB3 GLU A 36 0.149 8.165 -0.218 1.00 1.23 H new ATOM 0 HG2 GLU A 36 1.584 9.474 -1.673 1.00 35.51 H new ATOM 0 HG3 GLU A 36 0.439 8.572 -2.645 1.00 35.51 H new ATOM 584 N ILE A 37 -2.208 7.939 -3.161 1.00 53.43 N ATOM 585 CA ILE A 37 -2.438 6.887 -4.152 1.00 55.34 C ATOM 586 C ILE A 37 -1.132 6.477 -4.849 1.00 54.35 C ATOM 587 O ILE A 37 -0.398 7.318 -5.369 1.00 43.14 O ATOM 588 CB ILE A 37 -3.470 7.327 -5.220 1.00 22.32 C ATOM 589 CG1 ILE A 37 -4.798 7.720 -4.550 1.00 23.03 C ATOM 590 CG2 ILE A 37 -3.692 6.214 -6.247 1.00 64.43 C ATOM 591 CD1 ILE A 37 -5.880 8.141 -5.524 1.00 62.13 C ATOM 0 H ILE A 37 -2.250 8.888 -3.532 1.00 53.43 H new ATOM 0 HA ILE A 37 -2.835 6.030 -3.609 1.00 55.34 H new ATOM 0 HB ILE A 37 -3.076 8.198 -5.743 1.00 22.32 H new ATOM 0 HG12 ILE A 37 -5.160 6.876 -3.963 1.00 23.03 H new ATOM 0 HG13 ILE A 37 -4.613 8.537 -3.853 1.00 23.03 H new ATOM 0 HG21 ILE A 37 -4.420 6.543 -6.988 1.00 64.43 H new ATOM 0 HG22 ILE A 37 -2.749 5.983 -6.742 1.00 64.43 H new ATOM 0 HG23 ILE A 37 -4.065 5.323 -5.743 1.00 64.43 H new ATOM 0 HD11 ILE A 37 -6.784 8.402 -4.973 1.00 62.13 H new ATOM 0 HD12 ILE A 37 -5.540 9.005 -6.094 1.00 62.13 H new ATOM 0 HD13 ILE A 37 -6.096 7.319 -6.206 1.00 62.13 H new ATOM 603 N ALA A 38 -0.853 5.178 -4.854 1.00 32.31 N ATOM 604 CA ALA A 38 0.336 4.637 -5.517 1.00 53.52 C ATOM 605 C ALA A 38 -0.029 3.452 -6.418 1.00 52.33 C ATOM 606 O ALA A 38 -1.081 2.839 -6.261 1.00 44.10 O ATOM 607 CB ALA A 38 1.369 4.207 -4.481 1.00 41.42 C ATOM 0 H ALA A 38 -1.437 4.473 -4.404 1.00 32.31 H new ATOM 0 HA ALA A 38 0.763 5.423 -6.140 1.00 53.52 H new ATOM 0 HB1 ALA A 38 2.247 3.807 -4.987 1.00 41.42 H new ATOM 0 HB2 ALA A 38 1.659 5.067 -3.877 1.00 41.42 H new ATOM 0 HB3 ALA A 38 0.940 3.439 -3.837 1.00 41.42 H new ATOM 613 N GLU A 39 0.839 3.133 -7.368 1.00 62.21 N ATOM 614 CA GLU A 39 0.623 1.980 -8.243 1.00 15.45 C ATOM 615 C GLU A 39 1.617 0.861 -7.911 1.00 33.14 C ATOM 616 O GLU A 39 2.812 1.110 -7.723 1.00 23.33 O ATOM 617 CB GLU A 39 0.728 2.403 -9.715 1.00 61.44 C ATOM 618 CG GLU A 39 -0.252 3.516 -10.081 1.00 64.24 C ATOM 619 CD GLU A 39 -0.340 3.775 -11.575 1.00 41.55 C ATOM 620 OE1 GLU A 39 0.641 4.279 -12.157 1.00 32.03 O ATOM 621 OE2 GLU A 39 -1.397 3.488 -12.176 1.00 41.44 O ATOM 0 H GLU A 39 1.697 3.651 -7.555 1.00 62.21 H new ATOM 0 HA GLU A 39 -0.382 1.592 -8.075 1.00 15.45 H new ATOM 0 HB2 GLU A 39 1.745 2.738 -9.921 1.00 61.44 H new ATOM 0 HB3 GLU A 39 0.543 1.538 -10.351 1.00 61.44 H new ATOM 0 HG2 GLU A 39 -1.242 3.256 -9.706 1.00 64.24 H new ATOM 0 HG3 GLU A 39 0.049 4.435 -9.578 1.00 64.24 H new ATOM 628 N ILE A 40 1.118 -0.369 -7.826 1.00 62.10 N ATOM 629 CA ILE A 40 1.931 -1.495 -7.359 1.00 65.32 C ATOM 630 C ILE A 40 2.993 -1.907 -8.391 1.00 53.41 C ATOM 631 O ILE A 40 2.680 -2.409 -9.472 1.00 41.14 O ATOM 632 CB ILE A 40 1.049 -2.718 -6.997 1.00 42.12 C ATOM 633 CG1 ILE A 40 0.003 -2.322 -5.941 1.00 4.42 C ATOM 634 CG2 ILE A 40 1.912 -3.876 -6.495 1.00 45.11 C ATOM 635 CD1 ILE A 40 -0.935 -3.446 -5.550 1.00 72.44 C ATOM 0 H ILE A 40 0.159 -0.614 -8.073 1.00 62.10 H new ATOM 0 HA ILE A 40 2.445 -1.153 -6.461 1.00 65.32 H new ATOM 0 HB ILE A 40 0.528 -3.050 -7.895 1.00 42.12 H new ATOM 0 HG12 ILE A 40 0.519 -1.966 -5.049 1.00 4.42 H new ATOM 0 HG13 ILE A 40 -0.586 -1.488 -6.323 1.00 4.42 H new ATOM 0 HG21 ILE A 40 1.274 -4.724 -6.246 1.00 45.11 H new ATOM 0 HG22 ILE A 40 2.617 -4.168 -7.273 1.00 45.11 H new ATOM 0 HG23 ILE A 40 2.461 -3.562 -5.607 1.00 45.11 H new ATOM 0 HD11 ILE A 40 -1.642 -3.087 -4.802 1.00 72.44 H new ATOM 0 HD12 ILE A 40 -1.480 -3.788 -6.430 1.00 72.44 H new ATOM 0 HD13 ILE A 40 -0.359 -4.274 -5.136 1.00 72.44 H new ATOM 647 N ARG A 41 4.250 -1.702 -8.018 1.00 12.25 N ATOM 648 CA ARG A 41 5.399 -2.025 -8.866 1.00 31.22 C ATOM 649 C ARG A 41 5.690 -3.534 -8.818 1.00 25.23 C ATOM 650 O ARG A 41 6.054 -4.143 -9.823 1.00 22.31 O ATOM 651 CB ARG A 41 6.611 -1.198 -8.375 1.00 64.22 C ATOM 652 CG ARG A 41 7.832 -1.167 -9.304 1.00 14.04 C ATOM 653 CD ARG A 41 8.855 -2.265 -8.998 1.00 55.24 C ATOM 654 NE ARG A 41 8.594 -3.502 -9.729 1.00 12.44 N ATOM 655 CZ ARG A 41 9.266 -4.606 -9.558 1.00 22.15 C ATOM 656 NH1 ARG A 41 10.140 -4.707 -8.609 1.00 5.33 N ATOM 657 NH2 ARG A 41 9.035 -5.625 -10.316 1.00 73.01 N ATOM 0 H ARG A 41 4.506 -1.305 -7.114 1.00 12.25 H new ATOM 0 HA ARG A 41 5.189 -1.772 -9.905 1.00 31.22 H new ATOM 0 HB2 ARG A 41 6.281 -0.173 -8.209 1.00 64.22 H new ATOM 0 HB3 ARG A 41 6.926 -1.592 -7.409 1.00 64.22 H new ATOM 0 HG2 ARG A 41 7.497 -1.270 -10.336 1.00 14.04 H new ATOM 0 HG3 ARG A 41 8.318 -0.195 -9.222 1.00 14.04 H new ATOM 0 HD2 ARG A 41 9.853 -1.905 -9.247 1.00 55.24 H new ATOM 0 HD3 ARG A 41 8.849 -2.473 -7.928 1.00 55.24 H new ATOM 0 HE ARG A 41 7.840 -3.502 -10.416 1.00 12.44 H new ATOM 0 HH11 ARG A 41 10.309 -3.918 -7.985 1.00 5.33 H new ATOM 0 HH12 ARG A 41 10.660 -5.576 -8.485 1.00 5.33 H new ATOM 0 HH21 ARG A 41 8.327 -5.566 -11.048 1.00 73.01 H new ATOM 0 HH22 ARG A 41 9.560 -6.489 -10.183 1.00 73.01 H new ATOM 671 N ASN A 42 5.515 -4.125 -7.634 1.00 4.32 N ATOM 672 CA ASN A 42 5.709 -5.567 -7.431 1.00 50.20 C ATOM 673 C ASN A 42 4.639 -6.127 -6.476 1.00 64.41 C ATOM 674 O ASN A 42 4.546 -5.702 -5.325 1.00 0.45 O ATOM 675 CB ASN A 42 7.109 -5.832 -6.865 1.00 1.54 C ATOM 676 CG ASN A 42 7.425 -7.313 -6.771 1.00 54.04 C ATOM 677 OD1 ASN A 42 6.964 -8.111 -7.580 1.00 35.32 O ATOM 678 ND2 ASN A 42 8.213 -7.697 -5.786 1.00 24.22 N ATOM 0 H ASN A 42 5.236 -3.623 -6.791 1.00 4.32 H new ATOM 0 HA ASN A 42 5.612 -6.070 -8.393 1.00 50.20 H new ATOM 0 HB2 ASN A 42 7.851 -5.344 -7.497 1.00 1.54 H new ATOM 0 HB3 ASN A 42 7.189 -5.383 -5.875 1.00 1.54 H new ATOM 0 HD21 ASN A 42 8.455 -8.682 -5.681 1.00 24.22 H new ATOM 0 HD22 ASN A 42 8.581 -7.009 -5.129 1.00 24.22 H new ATOM 685 N VAL A 43 3.832 -7.072 -6.961 1.00 4.21 N ATOM 686 CA VAL A 43 2.727 -7.637 -6.167 1.00 63.15 C ATOM 687 C VAL A 43 3.217 -8.600 -5.073 1.00 11.02 C ATOM 688 O VAL A 43 2.554 -8.776 -4.053 1.00 25.34 O ATOM 689 CB VAL A 43 1.696 -8.372 -7.063 1.00 1.42 C ATOM 690 CG1 VAL A 43 1.027 -7.397 -8.027 1.00 64.13 C ATOM 691 CG2 VAL A 43 2.356 -9.521 -7.822 1.00 43.20 C ATOM 0 H VAL A 43 3.918 -7.465 -7.898 1.00 4.21 H new ATOM 0 HA VAL A 43 2.247 -6.785 -5.686 1.00 63.15 H new ATOM 0 HB VAL A 43 0.925 -8.794 -6.418 1.00 1.42 H new ATOM 0 HG11 VAL A 43 0.308 -7.933 -8.646 1.00 64.13 H new ATOM 0 HG12 VAL A 43 0.511 -6.621 -7.461 1.00 64.13 H new ATOM 0 HG13 VAL A 43 1.783 -6.939 -8.664 1.00 64.13 H new ATOM 0 HG21 VAL A 43 1.613 -10.021 -8.443 1.00 43.20 H new ATOM 0 HG22 VAL A 43 3.153 -9.129 -8.454 1.00 43.20 H new ATOM 0 HG23 VAL A 43 2.774 -10.234 -7.111 1.00 43.20 H new ATOM 701 N VAL A 44 4.374 -9.222 -5.289 1.00 0.13 N ATOM 702 CA VAL A 44 4.920 -10.178 -4.319 1.00 2.11 C ATOM 703 C VAL A 44 5.892 -9.490 -3.347 1.00 42.43 C ATOM 704 O VAL A 44 6.619 -8.567 -3.724 1.00 21.43 O ATOM 705 CB VAL A 44 5.631 -11.364 -5.027 1.00 1.21 C ATOM 706 CG1 VAL A 44 6.835 -10.883 -5.835 1.00 53.14 C ATOM 707 CG2 VAL A 44 6.047 -12.437 -4.020 1.00 10.23 C ATOM 0 H VAL A 44 4.950 -9.085 -6.119 1.00 0.13 H new ATOM 0 HA VAL A 44 4.078 -10.572 -3.750 1.00 2.11 H new ATOM 0 HB VAL A 44 4.918 -11.810 -5.720 1.00 1.21 H new ATOM 0 HG11 VAL A 44 7.312 -11.735 -6.319 1.00 53.14 H new ATOM 0 HG12 VAL A 44 6.504 -10.173 -6.593 1.00 53.14 H new ATOM 0 HG13 VAL A 44 7.549 -10.397 -5.170 1.00 53.14 H new ATOM 0 HG21 VAL A 44 6.542 -13.255 -4.543 1.00 10.23 H new ATOM 0 HG22 VAL A 44 6.732 -12.005 -3.291 1.00 10.23 H new ATOM 0 HG23 VAL A 44 5.163 -12.817 -3.507 1.00 10.23 H new ATOM 717 N GLU A 45 5.894 -9.944 -2.097 1.00 63.23 N ATOM 718 CA GLU A 45 6.751 -9.365 -1.055 1.00 75.13 C ATOM 719 C GLU A 45 8.244 -9.449 -1.422 1.00 34.43 C ATOM 720 O GLU A 45 8.683 -10.384 -2.098 1.00 75.01 O ATOM 721 CB GLU A 45 6.507 -10.077 0.288 1.00 35.44 C ATOM 722 CG GLU A 45 5.041 -10.122 0.713 1.00 11.15 C ATOM 723 CD GLU A 45 4.842 -10.724 2.100 1.00 64.01 C ATOM 724 OE1 GLU A 45 5.096 -11.935 2.275 1.00 4.41 O ATOM 725 OE2 GLU A 45 4.429 -9.982 3.020 1.00 61.43 O ATOM 0 H GLU A 45 5.310 -10.716 -1.775 1.00 63.23 H new ATOM 0 HA GLU A 45 6.488 -8.311 -0.967 1.00 75.13 H new ATOM 0 HB2 GLU A 45 6.886 -11.097 0.220 1.00 35.44 H new ATOM 0 HB3 GLU A 45 7.084 -9.573 1.064 1.00 35.44 H new ATOM 0 HG2 GLU A 45 4.633 -9.111 0.700 1.00 11.15 H new ATOM 0 HG3 GLU A 45 4.475 -10.704 -0.014 1.00 11.15 H new ATOM 732 N ASN A 46 9.021 -8.462 -0.973 1.00 70.53 N ATOM 733 CA ASN A 46 10.472 -8.449 -1.193 1.00 44.34 C ATOM 734 C ASN A 46 11.170 -9.504 -0.307 1.00 51.45 C ATOM 735 O ASN A 46 11.988 -9.167 0.554 1.00 64.35 O ATOM 736 CB ASN A 46 11.037 -7.055 -0.882 1.00 64.41 C ATOM 737 CG ASN A 46 10.382 -5.948 -1.688 1.00 23.53 C ATOM 738 OD1 ASN A 46 9.389 -5.364 -1.267 1.00 31.12 O ATOM 739 ND2 ASN A 46 10.933 -5.648 -2.847 1.00 75.20 N ATOM 0 H ASN A 46 8.670 -7.658 -0.453 1.00 70.53 H new ATOM 0 HA ASN A 46 10.663 -8.692 -2.238 1.00 44.34 H new ATOM 0 HB2 ASN A 46 10.908 -6.847 0.180 1.00 64.41 H new ATOM 0 HB3 ASN A 46 12.109 -7.053 -1.079 1.00 64.41 H new ATOM 0 HD21 ASN A 46 10.534 -4.909 -3.425 1.00 75.20 H new ATOM 0 HD22 ASN A 46 11.759 -6.155 -3.166 1.00 75.20 H new ATOM 746 N THR A 47 10.852 -10.777 -0.534 1.00 53.04 N ATOM 747 CA THR A 47 11.334 -11.869 0.326 1.00 31.31 C ATOM 748 C THR A 47 11.852 -13.062 -0.498 1.00 53.22 C ATOM 749 O THR A 47 11.966 -12.982 -1.724 1.00 1.41 O ATOM 750 CB THR A 47 10.208 -12.343 1.282 1.00 41.43 C ATOM 751 OG1 THR A 47 10.708 -13.319 2.211 1.00 70.12 O ATOM 752 CG2 THR A 47 9.035 -12.929 0.501 1.00 72.30 C ATOM 0 H THR A 47 10.261 -11.084 -1.307 1.00 53.04 H new ATOM 0 HA THR A 47 12.166 -11.477 0.910 1.00 31.31 H new ATOM 0 HB THR A 47 9.857 -11.472 1.836 1.00 41.43 H new ATOM 0 HG1 THR A 47 11.577 -13.026 2.557 1.00 70.12 H new ATOM 0 HG21 THR A 47 8.261 -13.253 1.196 1.00 72.30 H new ATOM 0 HG22 THR A 47 8.628 -12.171 -0.168 1.00 72.30 H new ATOM 0 HG23 THR A 47 9.378 -13.782 -0.084 1.00 72.30 H new ATOM 760 N ALA A 48 12.175 -14.163 0.177 1.00 64.11 N ATOM 761 CA ALA A 48 12.729 -15.348 -0.490 1.00 70.23 C ATOM 762 C ALA A 48 11.677 -16.449 -0.722 1.00 61.41 C ATOM 763 O ALA A 48 11.233 -16.657 -1.854 1.00 25.14 O ATOM 764 CB ALA A 48 13.903 -15.897 0.317 1.00 23.22 C ATOM 0 H ALA A 48 12.064 -14.263 1.186 1.00 64.11 H new ATOM 0 HA ALA A 48 13.074 -15.032 -1.475 1.00 70.23 H new ATOM 0 HB1 ALA A 48 14.309 -16.776 -0.184 1.00 23.22 H new ATOM 0 HB2 ALA A 48 14.678 -15.134 0.397 1.00 23.22 H new ATOM 0 HB3 ALA A 48 13.561 -16.173 1.315 1.00 23.22 H new ATOM 770 N ASN A 49 11.286 -17.151 0.352 1.00 34.10 N ATOM 771 CA ASN A 49 10.383 -18.312 0.257 1.00 1.35 C ATOM 772 C ASN A 49 10.992 -19.431 -0.610 1.00 20.32 C ATOM 773 O ASN A 49 10.811 -19.452 -1.831 1.00 63.45 O ATOM 774 CB ASN A 49 9.001 -17.906 -0.282 1.00 24.14 C ATOM 775 CG ASN A 49 8.168 -17.162 0.748 1.00 35.34 C ATOM 776 OD1 ASN A 49 8.249 -15.946 0.878 1.00 71.02 O ATOM 777 ND2 ASN A 49 7.348 -17.885 1.484 1.00 65.12 N ATOM 0 H ASN A 49 11.583 -16.934 1.304 1.00 34.10 H new ATOM 0 HA ASN A 49 10.253 -18.700 1.267 1.00 1.35 H new ATOM 0 HB2 ASN A 49 9.129 -17.277 -1.163 1.00 24.14 H new ATOM 0 HB3 ASN A 49 8.464 -18.798 -0.603 1.00 24.14 H new ATOM 0 HD21 ASN A 49 6.759 -17.434 2.184 1.00 65.12 H new ATOM 0 HD22 ASN A 49 7.302 -18.896 1.353 1.00 65.12 H new ATOM 784 N PRO A 50 11.741 -20.371 0.015 1.00 63.23 N ATOM 785 CA PRO A 50 12.389 -21.494 -0.701 1.00 65.40 C ATOM 786 C PRO A 50 11.397 -22.382 -1.475 1.00 43.22 C ATOM 787 O PRO A 50 11.771 -23.056 -2.436 1.00 23.20 O ATOM 788 CB PRO A 50 13.063 -22.296 0.426 1.00 30.32 C ATOM 789 CG PRO A 50 13.227 -21.321 1.543 1.00 14.43 C ATOM 790 CD PRO A 50 12.038 -20.403 1.461 1.00 12.10 C ATOM 0 HA PRO A 50 13.077 -21.131 -1.464 1.00 65.40 H new ATOM 0 HB2 PRO A 50 12.450 -23.145 0.729 1.00 30.32 H new ATOM 0 HB3 PRO A 50 14.025 -22.696 0.106 1.00 30.32 H new ATOM 0 HG2 PRO A 50 13.262 -21.831 2.506 1.00 14.43 H new ATOM 0 HG3 PRO A 50 14.159 -20.764 1.443 1.00 14.43 H new ATOM 0 HD2 PRO A 50 11.195 -20.783 2.038 1.00 12.10 H new ATOM 0 HD3 PRO A 50 12.267 -19.410 1.848 1.00 12.10 H new ATOM 798 N HIS A 51 10.140 -22.397 -1.039 1.00 64.20 N ATOM 799 CA HIS A 51 9.086 -23.148 -1.733 1.00 22.30 C ATOM 800 C HIS A 51 8.158 -22.211 -2.521 1.00 44.30 C ATOM 801 O HIS A 51 8.115 -21.006 -2.274 1.00 31.33 O ATOM 802 CB HIS A 51 8.262 -23.977 -0.737 1.00 14.40 C ATOM 803 CG HIS A 51 9.032 -25.089 -0.086 1.00 14.13 C ATOM 804 ND1 HIS A 51 8.639 -25.689 1.091 1.00 52.41 N ATOM 805 CD2 HIS A 51 10.172 -25.720 -0.461 1.00 34.14 C ATOM 806 CE1 HIS A 51 9.500 -26.633 1.413 1.00 32.45 C ATOM 807 NE2 HIS A 51 10.436 -26.673 0.487 1.00 24.33 N ATOM 0 H HIS A 51 9.822 -21.899 -0.208 1.00 64.20 H new ATOM 0 HA HIS A 51 9.575 -23.821 -2.437 1.00 22.30 H new ATOM 0 HB2 HIS A 51 7.874 -23.315 0.037 1.00 14.40 H new ATOM 0 HB3 HIS A 51 7.402 -24.400 -1.256 1.00 14.40 H new ATOM 0 HD2 HIS A 51 10.761 -25.511 -1.342 1.00 34.14 H new ATOM 0 HE1 HIS A 51 9.447 -27.266 2.287 1.00 32.45 H new ATOM 0 HE2 HIS A 51 11.231 -27.312 0.477 1.00 24.33 H new ATOM 816 N PHE A 52 7.401 -22.782 -3.458 1.00 51.30 N ATOM 817 CA PHE A 52 6.466 -22.010 -4.291 1.00 74.33 C ATOM 818 C PHE A 52 5.415 -21.259 -3.449 1.00 43.41 C ATOM 819 O PHE A 52 4.782 -20.317 -3.930 1.00 62.23 O ATOM 820 CB PHE A 52 5.764 -22.938 -5.295 1.00 1.11 C ATOM 821 CG PHE A 52 4.950 -24.042 -4.652 1.00 64.12 C ATOM 822 CD1 PHE A 52 5.536 -25.262 -4.332 1.00 54.32 C ATOM 823 CD2 PHE A 52 3.602 -23.860 -4.368 1.00 12.35 C ATOM 824 CE1 PHE A 52 4.796 -26.268 -3.744 1.00 62.54 C ATOM 825 CE2 PHE A 52 2.860 -24.866 -3.780 1.00 21.01 C ATOM 826 CZ PHE A 52 3.457 -26.072 -3.470 1.00 10.03 C ATOM 0 H PHE A 52 7.414 -23.781 -3.663 1.00 51.30 H new ATOM 0 HA PHE A 52 7.052 -21.262 -4.826 1.00 74.33 H new ATOM 0 HB2 PHE A 52 5.109 -22.341 -5.929 1.00 1.11 H new ATOM 0 HB3 PHE A 52 6.515 -23.387 -5.945 1.00 1.11 H new ATOM 0 HD1 PHE A 52 6.582 -25.424 -4.546 1.00 54.32 H new ATOM 0 HD2 PHE A 52 3.128 -22.920 -4.610 1.00 12.35 H new ATOM 0 HE1 PHE A 52 5.265 -27.209 -3.498 1.00 62.54 H new ATOM 0 HE2 PHE A 52 1.814 -24.709 -3.563 1.00 21.01 H new ATOM 0 HZ PHE A 52 2.877 -26.861 -3.014 1.00 10.03 H new ATOM 836 N VAL A 53 5.232 -21.681 -2.199 1.00 25.40 N ATOM 837 CA VAL A 53 4.255 -21.057 -1.306 1.00 72.14 C ATOM 838 C VAL A 53 4.702 -19.650 -0.871 1.00 54.50 C ATOM 839 O VAL A 53 5.330 -19.469 0.174 1.00 21.44 O ATOM 840 CB VAL A 53 3.986 -21.936 -0.057 1.00 44.41 C ATOM 841 CG1 VAL A 53 2.890 -21.325 0.819 1.00 42.23 C ATOM 842 CG2 VAL A 53 3.617 -23.359 -0.473 1.00 3.23 C ATOM 0 H VAL A 53 5.749 -22.454 -1.780 1.00 25.40 H new ATOM 0 HA VAL A 53 3.327 -20.964 -1.871 1.00 72.14 H new ATOM 0 HB VAL A 53 4.902 -21.976 0.533 1.00 44.41 H new ATOM 0 HG11 VAL A 53 2.721 -21.961 1.688 1.00 42.23 H new ATOM 0 HG12 VAL A 53 3.199 -20.334 1.150 1.00 42.23 H new ATOM 0 HG13 VAL A 53 1.968 -21.244 0.244 1.00 42.23 H new ATOM 0 HG21 VAL A 53 3.432 -23.962 0.416 1.00 3.23 H new ATOM 0 HG22 VAL A 53 2.719 -23.336 -1.090 1.00 3.23 H new ATOM 0 HG23 VAL A 53 4.437 -23.796 -1.043 1.00 3.23 H new ATOM 852 N ARG A 54 4.399 -18.663 -1.707 1.00 70.21 N ATOM 853 CA ARG A 54 4.682 -17.253 -1.408 1.00 5.04 C ATOM 854 C ARG A 54 3.482 -16.385 -1.801 1.00 75.23 C ATOM 855 O ARG A 54 2.873 -16.599 -2.854 1.00 35.04 O ATOM 856 CB ARG A 54 5.947 -16.793 -2.152 1.00 44.44 C ATOM 857 CG ARG A 54 5.847 -16.915 -3.668 1.00 12.10 C ATOM 858 CD ARG A 54 7.176 -16.617 -4.352 1.00 1.15 C ATOM 859 NE ARG A 54 8.218 -17.566 -3.953 1.00 61.04 N ATOM 860 CZ ARG A 54 8.557 -18.620 -4.650 1.00 63.31 C ATOM 861 NH1 ARG A 54 7.945 -18.905 -5.756 1.00 11.22 N ATOM 862 NH2 ARG A 54 9.495 -19.403 -4.228 1.00 24.20 N ATOM 0 H ARG A 54 3.951 -18.811 -2.611 1.00 70.21 H new ATOM 0 HA ARG A 54 4.856 -17.146 -0.337 1.00 5.04 H new ATOM 0 HB2 ARG A 54 6.152 -15.754 -1.893 1.00 44.44 H new ATOM 0 HB3 ARG A 54 6.796 -17.382 -1.805 1.00 44.44 H new ATOM 0 HG2 ARG A 54 5.522 -17.922 -3.930 1.00 12.10 H new ATOM 0 HG3 ARG A 54 5.086 -16.228 -4.038 1.00 12.10 H new ATOM 0 HD2 ARG A 54 7.045 -16.655 -5.433 1.00 1.15 H new ATOM 0 HD3 ARG A 54 7.493 -15.604 -4.105 1.00 1.15 H new ATOM 0 HE ARG A 54 8.710 -17.394 -3.076 1.00 61.04 H new ATOM 0 HH11 ARG A 54 7.191 -18.305 -6.091 1.00 11.22 H new ATOM 0 HH12 ARG A 54 8.217 -19.729 -6.292 1.00 11.22 H new ATOM 0 HH21 ARG A 54 9.973 -19.200 -3.350 1.00 24.20 H new ATOM 0 HH22 ARG A 54 9.758 -20.224 -4.773 1.00 24.20 H new ATOM 876 N ARG A 55 3.127 -15.414 -0.968 1.00 34.34 N ATOM 877 CA ARG A 55 1.913 -14.630 -1.207 1.00 63.00 C ATOM 878 C ARG A 55 2.135 -13.511 -2.245 1.00 30.21 C ATOM 879 O ARG A 55 2.466 -12.375 -1.913 1.00 0.01 O ATOM 880 CB ARG A 55 1.351 -14.083 0.117 1.00 23.20 C ATOM 881 CG ARG A 55 2.278 -13.129 0.868 1.00 2.31 C ATOM 882 CD ARG A 55 1.772 -12.849 2.279 1.00 52.44 C ATOM 883 NE ARG A 55 0.352 -12.491 2.295 1.00 14.13 N ATOM 884 CZ ARG A 55 -0.312 -12.159 3.369 1.00 41.51 C ATOM 885 NH1 ARG A 55 0.291 -12.023 4.508 1.00 12.32 N ATOM 886 NH2 ARG A 55 -1.582 -11.930 3.293 1.00 65.03 N ATOM 0 H ARG A 55 3.650 -15.150 -0.133 1.00 34.34 H new ATOM 0 HA ARG A 55 1.168 -15.299 -1.637 1.00 63.00 H new ATOM 0 HB2 ARG A 55 0.413 -13.567 -0.090 1.00 23.20 H new ATOM 0 HB3 ARG A 55 1.115 -14.924 0.769 1.00 23.20 H new ATOM 0 HG2 ARG A 55 3.279 -13.558 0.918 1.00 2.31 H new ATOM 0 HG3 ARG A 55 2.360 -12.192 0.318 1.00 2.31 H new ATOM 0 HD2 ARG A 55 1.930 -13.730 2.902 1.00 52.44 H new ATOM 0 HD3 ARG A 55 2.354 -12.039 2.718 1.00 52.44 H new ATOM 0 HE ARG A 55 -0.152 -12.502 1.408 1.00 14.13 H new ATOM 0 HH11 ARG A 55 1.297 -12.176 4.574 1.00 12.32 H new ATOM 0 HH12 ARG A 55 -0.241 -11.763 5.339 1.00 12.32 H new ATOM 0 HH21 ARG A 55 -2.062 -12.009 2.396 1.00 65.03 H new ATOM 0 HH22 ARG A 55 -2.104 -11.670 4.130 1.00 65.03 H new ATOM 900 N ASN A 56 1.980 -13.873 -3.517 1.00 13.24 N ATOM 901 CA ASN A 56 2.021 -12.906 -4.625 1.00 22.23 C ATOM 902 C ASN A 56 0.652 -12.235 -4.827 1.00 62.24 C ATOM 903 O ASN A 56 0.553 -11.141 -5.380 1.00 42.40 O ATOM 904 CB ASN A 56 2.471 -13.602 -5.922 1.00 63.30 C ATOM 905 CG ASN A 56 1.767 -14.932 -6.150 1.00 10.15 C ATOM 906 OD1 ASN A 56 0.670 -15.165 -5.653 1.00 51.24 O ATOM 907 ND2 ASN A 56 2.389 -15.812 -6.910 1.00 11.31 N ATOM 0 H ASN A 56 1.823 -14.836 -3.813 1.00 13.24 H new ATOM 0 HA ASN A 56 2.743 -12.130 -4.370 1.00 22.23 H new ATOM 0 HB2 ASN A 56 2.278 -12.943 -6.769 1.00 63.30 H new ATOM 0 HB3 ASN A 56 3.548 -13.767 -5.886 1.00 63.30 H new ATOM 0 HD21 ASN A 56 1.958 -16.717 -7.099 1.00 11.31 H new ATOM 0 HD22 ASN A 56 3.301 -15.588 -7.309 1.00 11.31 H new ATOM 914 N ILE A 57 -0.399 -12.918 -4.380 1.00 4.25 N ATOM 915 CA ILE A 57 -1.762 -12.388 -4.451 1.00 10.33 C ATOM 916 C ILE A 57 -2.008 -11.285 -3.401 1.00 20.21 C ATOM 917 O ILE A 57 -1.717 -11.459 -2.211 1.00 72.32 O ATOM 918 CB ILE A 57 -2.813 -13.521 -4.279 1.00 42.35 C ATOM 919 CG1 ILE A 57 -2.554 -14.315 -2.985 1.00 60.43 C ATOM 920 CG2 ILE A 57 -2.798 -14.448 -5.496 1.00 71.21 C ATOM 921 CD1 ILE A 57 -3.567 -15.414 -2.719 1.00 5.41 C ATOM 0 H ILE A 57 -0.334 -13.846 -3.962 1.00 4.25 H new ATOM 0 HA ILE A 57 -1.875 -11.945 -5.441 1.00 10.33 H new ATOM 0 HB ILE A 57 -3.801 -13.067 -4.203 1.00 42.35 H new ATOM 0 HG12 ILE A 57 -1.559 -14.757 -3.036 1.00 60.43 H new ATOM 0 HG13 ILE A 57 -2.553 -13.624 -2.142 1.00 60.43 H new ATOM 0 HG21 ILE A 57 -3.539 -15.236 -5.362 1.00 71.21 H new ATOM 0 HG22 ILE A 57 -3.036 -13.875 -6.392 1.00 71.21 H new ATOM 0 HG23 ILE A 57 -1.809 -14.894 -5.602 1.00 71.21 H new ATOM 0 HD11 ILE A 57 -3.314 -15.925 -1.790 1.00 5.41 H new ATOM 0 HD12 ILE A 57 -4.563 -14.978 -2.634 1.00 5.41 H new ATOM 0 HD13 ILE A 57 -3.553 -16.129 -3.542 1.00 5.41 H new ATOM 933 N ILE A 58 -2.549 -10.157 -3.861 1.00 24.03 N ATOM 934 CA ILE A 58 -2.850 -9.007 -2.997 1.00 42.43 C ATOM 935 C ILE A 58 -3.806 -9.388 -1.845 1.00 74.52 C ATOM 936 O ILE A 58 -5.033 -9.354 -1.993 1.00 54.35 O ATOM 937 CB ILE A 58 -3.466 -7.853 -3.834 1.00 21.43 C ATOM 938 CG1 ILE A 58 -2.510 -7.453 -4.972 1.00 73.32 C ATOM 939 CG2 ILE A 58 -3.791 -6.645 -2.956 1.00 40.25 C ATOM 940 CD1 ILE A 58 -3.048 -6.359 -5.871 1.00 31.33 C ATOM 0 H ILE A 58 -2.792 -10.011 -4.841 1.00 24.03 H new ATOM 0 HA ILE A 58 -1.910 -8.675 -2.555 1.00 42.43 H new ATOM 0 HB ILE A 58 -4.400 -8.209 -4.268 1.00 21.43 H new ATOM 0 HG12 ILE A 58 -1.565 -7.123 -4.540 1.00 73.32 H new ATOM 0 HG13 ILE A 58 -2.293 -8.333 -5.577 1.00 73.32 H new ATOM 0 HG21 ILE A 58 -4.221 -5.854 -3.570 1.00 40.25 H new ATOM 0 HG22 ILE A 58 -4.506 -6.936 -2.187 1.00 40.25 H new ATOM 0 HG23 ILE A 58 -2.878 -6.282 -2.484 1.00 40.25 H new ATOM 0 HD11 ILE A 58 -2.317 -6.134 -6.647 1.00 31.33 H new ATOM 0 HD12 ILE A 58 -3.977 -6.692 -6.333 1.00 31.33 H new ATOM 0 HD13 ILE A 58 -3.238 -5.463 -5.280 1.00 31.33 H new ATOM 952 N THR A 59 -3.237 -9.762 -0.699 1.00 63.13 N ATOM 953 CA THR A 59 -4.024 -10.247 0.451 1.00 73.41 C ATOM 954 C THR A 59 -3.681 -9.503 1.754 1.00 74.34 C ATOM 955 O THR A 59 -2.641 -8.856 1.861 1.00 12.21 O ATOM 956 CB THR A 59 -3.815 -11.766 0.669 1.00 50.23 C ATOM 957 OG1 THR A 59 -2.410 -12.070 0.719 1.00 13.41 O ATOM 958 CG2 THR A 59 -4.473 -12.577 -0.443 1.00 32.14 C ATOM 0 H THR A 59 -2.230 -9.741 -0.535 1.00 63.13 H new ATOM 0 HA THR A 59 -5.068 -10.049 0.207 1.00 73.41 H new ATOM 0 HB THR A 59 -4.281 -12.036 1.617 1.00 50.23 H new ATOM 0 HG1 THR A 59 -2.016 -11.942 -0.169 1.00 13.41 H new ATOM 0 HG21 THR A 59 -4.310 -13.640 -0.264 1.00 32.14 H new ATOM 0 HG22 THR A 59 -5.543 -12.372 -0.459 1.00 32.14 H new ATOM 0 HG23 THR A 59 -4.036 -12.300 -1.403 1.00 32.14 H new ATOM 966 N ARG A 60 -4.569 -9.614 2.746 1.00 43.50 N ATOM 967 CA ARG A 60 -4.401 -8.926 4.035 1.00 74.21 C ATOM 968 C ARG A 60 -3.072 -9.306 4.715 1.00 51.22 C ATOM 969 O ARG A 60 -2.849 -10.468 5.069 1.00 33.14 O ATOM 970 CB ARG A 60 -5.576 -9.263 4.968 1.00 61.41 C ATOM 971 CG ARG A 60 -5.475 -8.618 6.349 1.00 3.02 C ATOM 972 CD ARG A 60 -6.565 -9.120 7.293 1.00 62.22 C ATOM 973 NE ARG A 60 -6.552 -10.579 7.419 1.00 72.14 N ATOM 974 CZ ARG A 60 -6.779 -11.230 8.528 1.00 4.24 C ATOM 975 NH1 ARG A 60 -6.980 -10.604 9.642 1.00 14.13 N ATOM 976 NH2 ARG A 60 -6.789 -12.522 8.517 1.00 13.11 N ATOM 0 H ARG A 60 -5.417 -10.177 2.683 1.00 43.50 H new ATOM 0 HA ARG A 60 -4.383 -7.854 3.838 1.00 74.21 H new ATOM 0 HB2 ARG A 60 -6.505 -8.944 4.496 1.00 61.41 H new ATOM 0 HB3 ARG A 60 -5.634 -10.345 5.087 1.00 61.41 H new ATOM 0 HG2 ARG A 60 -4.496 -8.831 6.779 1.00 3.02 H new ATOM 0 HG3 ARG A 60 -5.551 -7.535 6.250 1.00 3.02 H new ATOM 0 HD2 ARG A 60 -6.429 -8.670 8.276 1.00 62.22 H new ATOM 0 HD3 ARG A 60 -7.539 -8.796 6.927 1.00 62.22 H new ATOM 0 HE ARG A 60 -6.351 -11.125 6.581 1.00 72.14 H new ATOM 0 HH11 ARG A 60 -6.963 -9.584 9.664 1.00 14.13 H new ATOM 0 HH12 ARG A 60 -7.156 -11.130 10.498 1.00 14.13 H new ATOM 0 HH21 ARG A 60 -6.620 -13.026 7.646 1.00 13.11 H new ATOM 0 HH22 ARG A 60 -6.966 -13.038 9.379 1.00 13.11 H new ATOM 990 N GLY A 61 -2.194 -8.321 4.898 1.00 14.23 N ATOM 991 CA GLY A 61 -0.900 -8.568 5.529 1.00 54.35 C ATOM 992 C GLY A 61 0.242 -8.695 4.528 1.00 63.32 C ATOM 993 O GLY A 61 1.413 -8.700 4.911 1.00 22.51 O ATOM 0 H GLY A 61 -2.354 -7.352 4.621 1.00 14.23 H new ATOM 0 HA2 GLY A 61 -0.679 -7.755 6.221 1.00 54.35 H new ATOM 0 HA3 GLY A 61 -0.960 -9.482 6.120 1.00 54.35 H new ATOM 997 N ALA A 62 -0.096 -8.803 3.243 1.00 74.44 N ATOM 998 CA ALA A 62 0.914 -8.914 2.184 1.00 74.41 C ATOM 999 C ALA A 62 1.586 -7.562 1.917 1.00 44.55 C ATOM 1000 O ALA A 62 0.911 -6.540 1.761 1.00 61.31 O ATOM 1001 CB ALA A 62 0.288 -9.450 0.898 1.00 24.42 C ATOM 0 H ALA A 62 -1.059 -8.816 2.908 1.00 74.44 H new ATOM 0 HA ALA A 62 1.676 -9.615 2.524 1.00 74.41 H new ATOM 0 HB1 ALA A 62 1.053 -9.525 0.125 1.00 24.42 H new ATOM 0 HB2 ALA A 62 -0.138 -10.436 1.084 1.00 24.42 H new ATOM 0 HB3 ALA A 62 -0.498 -8.772 0.566 1.00 24.42 H new ATOM 1007 N VAL A 63 2.913 -7.556 1.877 1.00 33.14 N ATOM 1008 CA VAL A 63 3.669 -6.333 1.605 1.00 22.04 C ATOM 1009 C VAL A 63 4.009 -6.206 0.112 1.00 40.55 C ATOM 1010 O VAL A 63 4.805 -6.978 -0.420 1.00 11.00 O ATOM 1011 CB VAL A 63 4.978 -6.300 2.426 1.00 20.33 C ATOM 1012 CG1 VAL A 63 5.745 -5.002 2.187 1.00 61.33 C ATOM 1013 CG2 VAL A 63 4.683 -6.497 3.909 1.00 12.21 C ATOM 0 H VAL A 63 3.491 -8.383 2.029 1.00 33.14 H new ATOM 0 HA VAL A 63 3.037 -5.494 1.897 1.00 22.04 H new ATOM 0 HB VAL A 63 5.610 -7.122 2.091 1.00 20.33 H new ATOM 0 HG11 VAL A 63 6.661 -5.007 2.777 1.00 61.33 H new ATOM 0 HG12 VAL A 63 5.995 -4.917 1.130 1.00 61.33 H new ATOM 0 HG13 VAL A 63 5.127 -4.154 2.483 1.00 61.33 H new ATOM 0 HG21 VAL A 63 5.616 -6.471 4.472 1.00 12.21 H new ATOM 0 HG22 VAL A 63 4.026 -5.700 4.258 1.00 12.21 H new ATOM 0 HG23 VAL A 63 4.196 -7.461 4.058 1.00 12.21 H new ATOM 1023 N VAL A 64 3.413 -5.222 -0.554 1.00 32.34 N ATOM 1024 CA VAL A 64 3.667 -4.986 -1.978 1.00 71.34 C ATOM 1025 C VAL A 64 4.607 -3.789 -2.185 1.00 25.44 C ATOM 1026 O VAL A 64 4.611 -2.838 -1.399 1.00 31.23 O ATOM 1027 CB VAL A 64 2.347 -4.743 -2.761 1.00 54.32 C ATOM 1028 CG1 VAL A 64 1.421 -5.954 -2.644 1.00 43.34 C ATOM 1029 CG2 VAL A 64 1.644 -3.472 -2.279 1.00 42.35 C ATOM 0 H VAL A 64 2.749 -4.572 -0.133 1.00 32.34 H new ATOM 0 HA VAL A 64 4.144 -5.886 -2.365 1.00 71.34 H new ATOM 0 HB VAL A 64 2.600 -4.605 -3.812 1.00 54.32 H new ATOM 0 HG11 VAL A 64 0.502 -5.764 -3.199 1.00 43.34 H new ATOM 0 HG12 VAL A 64 1.918 -6.833 -3.054 1.00 43.34 H new ATOM 0 HG13 VAL A 64 1.182 -6.129 -1.595 1.00 43.34 H new ATOM 0 HG21 VAL A 64 0.724 -3.328 -2.845 1.00 42.35 H new ATOM 0 HG22 VAL A 64 1.407 -3.567 -1.219 1.00 42.35 H new ATOM 0 HG23 VAL A 64 2.300 -2.614 -2.429 1.00 42.35 H new ATOM 1039 N GLU A 65 5.405 -3.842 -3.244 1.00 11.20 N ATOM 1040 CA GLU A 65 6.347 -2.763 -3.563 1.00 40.11 C ATOM 1041 C GLU A 65 5.711 -1.747 -4.524 1.00 34.11 C ATOM 1042 O GLU A 65 5.237 -2.108 -5.599 1.00 50.24 O ATOM 1043 CB GLU A 65 7.627 -3.358 -4.170 1.00 53.55 C ATOM 1044 CG GLU A 65 8.682 -2.328 -4.558 1.00 20.44 C ATOM 1045 CD GLU A 65 9.970 -2.982 -5.041 1.00 24.42 C ATOM 1046 OE1 GLU A 65 10.024 -3.423 -6.209 1.00 10.14 O ATOM 1047 OE2 GLU A 65 10.928 -3.083 -4.250 1.00 3.05 O ATOM 0 H GLU A 65 5.423 -4.621 -3.902 1.00 11.20 H new ATOM 0 HA GLU A 65 6.602 -2.235 -2.644 1.00 40.11 H new ATOM 0 HB2 GLU A 65 8.064 -4.054 -3.454 1.00 53.55 H new ATOM 0 HB3 GLU A 65 7.360 -3.936 -5.054 1.00 53.55 H new ATOM 0 HG2 GLU A 65 8.287 -1.683 -5.343 1.00 20.44 H new ATOM 0 HG3 GLU A 65 8.899 -1.691 -3.701 1.00 20.44 H new ATOM 1054 N THR A 66 5.691 -0.475 -4.125 1.00 54.50 N ATOM 1055 CA THR A 66 5.056 0.588 -4.925 1.00 61.20 C ATOM 1056 C THR A 66 6.019 1.755 -5.194 1.00 13.02 C ATOM 1057 O THR A 66 7.139 1.786 -4.682 1.00 10.41 O ATOM 1058 CB THR A 66 3.807 1.164 -4.213 1.00 11.54 C ATOM 1059 OG1 THR A 66 4.203 1.862 -3.021 1.00 52.44 O ATOM 1060 CG2 THR A 66 2.809 0.065 -3.860 1.00 41.44 C ATOM 0 H THR A 66 6.106 -0.149 -3.252 1.00 54.50 H new ATOM 0 HA THR A 66 4.770 0.121 -5.867 1.00 61.20 H new ATOM 0 HB THR A 66 3.319 1.856 -4.899 1.00 11.54 H new ATOM 0 HG1 THR A 66 4.822 1.304 -2.506 1.00 52.44 H new ATOM 0 HG21 THR A 66 1.945 0.505 -3.362 1.00 41.44 H new ATOM 0 HG22 THR A 66 2.485 -0.439 -4.771 1.00 41.44 H new ATOM 0 HG23 THR A 66 3.283 -0.657 -3.195 1.00 41.44 H new ATOM 1068 N ASN A 67 5.561 2.731 -5.978 1.00 24.10 N ATOM 1069 CA ASN A 67 6.369 3.922 -6.283 1.00 60.32 C ATOM 1070 C ASN A 67 6.639 4.773 -5.026 1.00 41.31 C ATOM 1071 O ASN A 67 7.513 5.641 -5.027 1.00 5.33 O ATOM 1072 CB ASN A 67 5.684 4.760 -7.370 1.00 52.30 C ATOM 1073 CG ASN A 67 4.308 5.252 -6.958 1.00 73.20 C ATOM 1074 OD1 ASN A 67 3.312 4.554 -7.121 1.00 41.03 O ATOM 1075 ND2 ASN A 67 4.237 6.461 -6.440 1.00 22.01 N ATOM 0 H ASN A 67 4.639 2.725 -6.414 1.00 24.10 H new ATOM 0 HA ASN A 67 7.336 3.582 -6.653 1.00 60.32 H new ATOM 0 HB2 ASN A 67 6.313 5.617 -7.612 1.00 52.30 H new ATOM 0 HB3 ASN A 67 5.594 4.164 -8.278 1.00 52.30 H new ATOM 0 HD21 ASN A 67 3.334 6.844 -6.160 1.00 22.01 H new ATOM 0 HD22 ASN A 67 5.085 7.014 -6.318 1.00 22.01 H new ATOM 1082 N LEU A 68 5.881 4.523 -3.956 1.00 11.04 N ATOM 1083 CA LEU A 68 6.117 5.183 -2.660 1.00 1.23 C ATOM 1084 C LEU A 68 7.046 4.341 -1.772 1.00 73.33 C ATOM 1085 O LEU A 68 7.825 4.873 -0.975 1.00 44.53 O ATOM 1086 CB LEU A 68 4.790 5.407 -1.922 1.00 4.12 C ATOM 1087 CG LEU A 68 3.770 6.304 -2.638 1.00 5.22 C ATOM 1088 CD1 LEU A 68 2.480 6.403 -1.828 1.00 21.11 C ATOM 1089 CD2 LEU A 68 4.349 7.694 -2.894 1.00 33.30 C ATOM 0 H LEU A 68 5.098 3.869 -3.956 1.00 11.04 H new ATOM 0 HA LEU A 68 6.592 6.143 -2.862 1.00 1.23 H new ATOM 0 HB2 LEU A 68 4.328 4.436 -1.741 1.00 4.12 H new ATOM 0 HB3 LEU A 68 5.007 5.843 -0.947 1.00 4.12 H new ATOM 0 HG LEU A 68 3.540 5.850 -3.602 1.00 5.22 H new ATOM 0 HD11 LEU A 68 1.770 7.043 -2.352 1.00 21.11 H new ATOM 0 HD12 LEU A 68 2.050 5.409 -1.705 1.00 21.11 H new ATOM 0 HD13 LEU A 68 2.697 6.828 -0.848 1.00 21.11 H new ATOM 0 HD21 LEU A 68 3.607 8.309 -3.402 1.00 33.30 H new ATOM 0 HD22 LEU A 68 4.616 8.157 -1.944 1.00 33.30 H new ATOM 0 HD23 LEU A 68 5.238 7.608 -3.519 1.00 33.30 H new ATOM 1101 N GLY A 69 6.951 3.020 -1.918 1.00 12.51 N ATOM 1102 CA GLY A 69 7.694 2.099 -1.065 1.00 62.41 C ATOM 1103 C GLY A 69 6.888 0.846 -0.726 1.00 43.41 C ATOM 1104 O GLY A 69 6.041 0.417 -1.509 1.00 13.43 O ATOM 0 H GLY A 69 6.366 2.566 -2.619 1.00 12.51 H new ATOM 0 HA2 GLY A 69 8.618 1.810 -1.565 1.00 62.41 H new ATOM 0 HA3 GLY A 69 7.976 2.608 -0.143 1.00 62.41 H new ATOM 1108 N ASN A 70 7.139 0.263 0.445 1.00 41.33 N ATOM 1109 CA ASN A 70 6.443 -0.960 0.865 1.00 63.31 C ATOM 1110 C ASN A 70 5.051 -0.641 1.427 1.00 23.44 C ATOM 1111 O ASN A 70 4.900 0.235 2.275 1.00 45.24 O ATOM 1112 CB ASN A 70 7.270 -1.707 1.913 1.00 23.35 C ATOM 1113 CG ASN A 70 8.679 -1.987 1.433 1.00 30.14 C ATOM 1114 OD1 ASN A 70 9.593 -1.210 1.676 1.00 52.12 O ATOM 1115 ND2 ASN A 70 8.861 -3.090 0.733 1.00 55.22 N ATOM 0 H ASN A 70 7.817 0.614 1.121 1.00 41.33 H new ATOM 0 HA ASN A 70 6.320 -1.594 -0.013 1.00 63.31 H new ATOM 0 HB2 ASN A 70 7.310 -1.118 2.830 1.00 23.35 H new ATOM 0 HB3 ASN A 70 6.778 -2.648 2.159 1.00 23.35 H new ATOM 0 HD21 ASN A 70 9.788 -3.319 0.374 1.00 55.22 H new ATOM 0 HD22 ASN A 70 8.075 -3.714 0.551 1.00 55.22 H new ATOM 1122 N VAL A 71 4.040 -1.354 0.942 1.00 51.12 N ATOM 1123 CA VAL A 71 2.654 -1.150 1.382 1.00 70.00 C ATOM 1124 C VAL A 71 2.015 -2.466 1.857 1.00 4.31 C ATOM 1125 O VAL A 71 2.054 -3.474 1.156 1.00 15.43 O ATOM 1126 CB VAL A 71 1.792 -0.551 0.239 1.00 40.10 C ATOM 1127 CG1 VAL A 71 0.351 -0.330 0.694 1.00 23.50 C ATOM 1128 CG2 VAL A 71 2.404 0.751 -0.275 1.00 74.23 C ATOM 0 H VAL A 71 4.150 -2.085 0.239 1.00 51.12 H new ATOM 0 HA VAL A 71 2.685 -0.451 2.218 1.00 70.00 H new ATOM 0 HB VAL A 71 1.777 -1.269 -0.581 1.00 40.10 H new ATOM 0 HG11 VAL A 71 -0.229 0.090 -0.127 1.00 23.50 H new ATOM 0 HG12 VAL A 71 -0.085 -1.282 0.997 1.00 23.50 H new ATOM 0 HG13 VAL A 71 0.338 0.360 1.538 1.00 23.50 H new ATOM 0 HG21 VAL A 71 1.784 1.153 -1.076 1.00 74.23 H new ATOM 0 HG22 VAL A 71 2.459 1.473 0.539 1.00 74.23 H new ATOM 0 HG23 VAL A 71 3.407 0.556 -0.656 1.00 74.23 H new ATOM 1138 N ARG A 72 1.432 -2.455 3.053 1.00 2.25 N ATOM 1139 CA ARG A 72 0.738 -3.632 3.579 1.00 21.42 C ATOM 1140 C ARG A 72 -0.751 -3.604 3.203 1.00 14.43 C ATOM 1141 O ARG A 72 -1.481 -2.703 3.612 1.00 31.15 O ATOM 1142 CB ARG A 72 0.881 -3.697 5.103 1.00 2.34 C ATOM 1143 CG ARG A 72 0.263 -4.948 5.719 1.00 10.23 C ATOM 1144 CD ARG A 72 0.353 -4.939 7.243 1.00 5.14 C ATOM 1145 NE ARG A 72 1.736 -4.958 7.721 1.00 44.42 N ATOM 1146 CZ ARG A 72 2.085 -4.858 8.978 1.00 32.11 C ATOM 1147 NH1 ARG A 72 1.189 -4.758 9.908 1.00 14.25 N ATOM 1148 NH2 ARG A 72 3.338 -4.880 9.302 1.00 34.03 N ATOM 0 H ARG A 72 1.425 -1.648 3.676 1.00 2.25 H new ATOM 0 HA ARG A 72 1.194 -4.517 3.136 1.00 21.42 H new ATOM 0 HB2 ARG A 72 1.939 -3.658 5.363 1.00 2.34 H new ATOM 0 HB3 ARG A 72 0.413 -2.816 5.542 1.00 2.34 H new ATOM 0 HG2 ARG A 72 -0.782 -5.022 5.418 1.00 10.23 H new ATOM 0 HG3 ARG A 72 0.770 -5.832 5.331 1.00 10.23 H new ATOM 0 HD2 ARG A 72 -0.149 -4.052 7.629 1.00 5.14 H new ATOM 0 HD3 ARG A 72 -0.178 -5.804 7.641 1.00 5.14 H new ATOM 0 HE ARG A 72 2.478 -5.056 7.028 1.00 44.42 H new ATOM 0 HH11 ARG A 72 0.199 -4.757 9.664 1.00 14.25 H new ATOM 0 HH12 ARG A 72 1.474 -4.681 10.884 1.00 14.25 H new ATOM 0 HH21 ARG A 72 4.050 -4.975 8.578 1.00 34.03 H new ATOM 0 HH22 ARG A 72 3.613 -4.802 10.281 1.00 34.03 H new ATOM 1162 N VAL A 73 -1.194 -4.591 2.429 1.00 33.54 N ATOM 1163 CA VAL A 73 -2.599 -4.680 2.008 1.00 31.04 C ATOM 1164 C VAL A 73 -3.536 -4.945 3.200 1.00 13.31 C ATOM 1165 O VAL A 73 -3.264 -5.813 4.036 1.00 42.20 O ATOM 1166 CB VAL A 73 -2.795 -5.801 0.959 1.00 12.33 C ATOM 1167 CG1 VAL A 73 -4.238 -5.835 0.458 1.00 1.13 C ATOM 1168 CG2 VAL A 73 -1.808 -5.637 -0.197 1.00 43.20 C ATOM 0 H VAL A 73 -0.603 -5.344 2.077 1.00 33.54 H new ATOM 0 HA VAL A 73 -2.853 -3.717 1.566 1.00 31.04 H new ATOM 0 HB VAL A 73 -2.591 -6.758 1.439 1.00 12.33 H new ATOM 0 HG11 VAL A 73 -4.349 -6.631 -0.278 1.00 1.13 H new ATOM 0 HG12 VAL A 73 -4.910 -6.019 1.296 1.00 1.13 H new ATOM 0 HG13 VAL A 73 -4.486 -4.879 -0.002 1.00 1.13 H new ATOM 0 HG21 VAL A 73 -1.962 -6.435 -0.923 1.00 43.20 H new ATOM 0 HG22 VAL A 73 -1.968 -4.672 -0.678 1.00 43.20 H new ATOM 0 HG23 VAL A 73 -0.788 -5.687 0.185 1.00 43.20 H new ATOM 1178 N THR A 74 -4.640 -4.198 3.273 1.00 22.34 N ATOM 1179 CA THR A 74 -5.630 -4.369 4.348 1.00 52.10 C ATOM 1180 C THR A 74 -6.944 -4.967 3.818 1.00 21.22 C ATOM 1181 O THR A 74 -7.239 -6.142 4.048 1.00 11.45 O ATOM 1182 CB THR A 74 -5.934 -3.025 5.064 1.00 44.54 C ATOM 1183 OG1 THR A 74 -6.418 -2.054 4.123 1.00 54.33 O ATOM 1184 CG2 THR A 74 -4.690 -2.480 5.761 1.00 73.04 C ATOM 0 H THR A 74 -4.874 -3.467 2.601 1.00 22.34 H new ATOM 0 HA THR A 74 -5.189 -5.061 5.065 1.00 52.10 H new ATOM 0 HB THR A 74 -6.701 -3.216 5.815 1.00 44.54 H new ATOM 0 HG1 THR A 74 -6.607 -1.213 4.589 1.00 54.33 H new ATOM 0 HG21 THR A 74 -4.932 -1.538 6.254 1.00 73.04 H new ATOM 0 HG22 THR A 74 -4.344 -3.200 6.503 1.00 73.04 H new ATOM 0 HG23 THR A 74 -3.904 -2.312 5.024 1.00 73.04 H new ATOM 1192 N SER A 75 -7.720 -4.159 3.095 1.00 32.52 N ATOM 1193 CA SER A 75 -9.014 -4.598 2.541 1.00 11.32 C ATOM 1194 C SER A 75 -8.831 -5.556 1.352 1.00 23.01 C ATOM 1195 O SER A 75 -7.707 -5.934 1.000 1.00 64.33 O ATOM 1196 CB SER A 75 -9.843 -3.381 2.096 1.00 1.23 C ATOM 1197 OG SER A 75 -10.098 -2.500 3.182 1.00 62.21 O ATOM 0 H SER A 75 -7.479 -3.192 2.875 1.00 32.52 H new ATOM 0 HA SER A 75 -9.540 -5.134 3.331 1.00 11.32 H new ATOM 0 HB2 SER A 75 -9.312 -2.846 1.309 1.00 1.23 H new ATOM 0 HB3 SER A 75 -10.788 -3.719 1.670 1.00 1.23 H new ATOM 0 HG SER A 75 -10.625 -1.736 2.867 1.00 62.21 H new ATOM 1203 N ARG A 76 -9.944 -5.963 0.741 1.00 43.02 N ATOM 1204 CA ARG A 76 -9.908 -6.832 -0.441 1.00 74.12 C ATOM 1205 C ARG A 76 -9.956 -6.010 -1.742 1.00 72.23 C ATOM 1206 O ARG A 76 -10.794 -5.123 -1.896 1.00 20.45 O ATOM 1207 CB ARG A 76 -11.066 -7.843 -0.395 1.00 61.21 C ATOM 1208 CG ARG A 76 -11.020 -8.801 0.802 1.00 53.14 C ATOM 1209 CD ARG A 76 -9.810 -9.740 0.757 1.00 41.22 C ATOM 1210 NE ARG A 76 -8.540 -9.022 0.873 1.00 30.41 N ATOM 1211 CZ ARG A 76 -7.523 -9.180 0.066 1.00 0.43 C ATOM 1212 NH1 ARG A 76 -7.579 -10.024 -0.917 1.00 35.31 N ATOM 1213 NH2 ARG A 76 -6.468 -8.451 0.212 1.00 34.22 N ATOM 0 H ARG A 76 -10.884 -5.706 1.044 1.00 43.02 H new ATOM 0 HA ARG A 76 -8.965 -7.379 -0.430 1.00 74.12 H new ATOM 0 HB2 ARG A 76 -12.009 -7.297 -0.372 1.00 61.21 H new ATOM 0 HB3 ARG A 76 -11.059 -8.428 -1.314 1.00 61.21 H new ATOM 0 HG2 ARG A 76 -10.992 -8.222 1.725 1.00 53.14 H new ATOM 0 HG3 ARG A 76 -11.935 -9.393 0.824 1.00 53.14 H new ATOM 0 HD2 ARG A 76 -9.888 -10.467 1.565 1.00 41.22 H new ATOM 0 HD3 ARG A 76 -9.823 -10.300 -0.178 1.00 41.22 H new ATOM 0 HE ARG A 76 -8.441 -8.352 1.636 1.00 30.41 H new ATOM 0 HH11 ARG A 76 -8.424 -10.575 -1.069 1.00 35.31 H new ATOM 0 HH12 ARG A 76 -6.778 -10.137 -1.539 1.00 35.31 H new ATOM 0 HH21 ARG A 76 -6.429 -7.754 0.955 1.00 34.22 H new ATOM 0 HH22 ARG A 76 -5.673 -8.572 -0.416 1.00 34.22 H new ATOM 1227 N PRO A 77 -9.064 -6.310 -2.706 1.00 61.23 N ATOM 1228 CA PRO A 77 -8.944 -5.530 -3.949 1.00 43.03 C ATOM 1229 C PRO A 77 -10.109 -5.761 -4.927 1.00 42.24 C ATOM 1230 O PRO A 77 -10.716 -6.833 -4.946 1.00 44.42 O ATOM 1231 CB PRO A 77 -7.626 -6.046 -4.541 1.00 12.51 C ATOM 1232 CG PRO A 77 -7.534 -7.452 -4.065 1.00 74.11 C ATOM 1233 CD PRO A 77 -8.117 -7.445 -2.677 1.00 35.21 C ATOM 0 HA PRO A 77 -8.965 -4.456 -3.762 1.00 43.03 H new ATOM 0 HB2 PRO A 77 -7.632 -5.994 -5.630 1.00 12.51 H new ATOM 0 HB3 PRO A 77 -6.777 -5.454 -4.198 1.00 12.51 H new ATOM 0 HG2 PRO A 77 -8.087 -8.125 -4.720 1.00 74.11 H new ATOM 0 HG3 PRO A 77 -6.500 -7.796 -4.055 1.00 74.11 H new ATOM 0 HD2 PRO A 77 -8.622 -8.384 -2.449 1.00 35.21 H new ATOM 0 HD3 PRO A 77 -7.346 -7.306 -1.919 1.00 35.21 H new ATOM 1241 N GLY A 78 -10.423 -4.746 -5.732 1.00 42.13 N ATOM 1242 CA GLY A 78 -11.449 -4.894 -6.763 1.00 1.25 C ATOM 1243 C GLY A 78 -12.813 -4.338 -6.367 1.00 41.53 C ATOM 1244 O GLY A 78 -13.804 -4.582 -7.055 1.00 43.34 O ATOM 0 H GLY A 78 -9.988 -3.824 -5.692 1.00 42.13 H new ATOM 0 HA2 GLY A 78 -11.113 -4.391 -7.670 1.00 1.25 H new ATOM 0 HA3 GLY A 78 -11.556 -5.951 -7.005 1.00 1.25 H new ATOM 1248 N GLN A 79 -12.877 -3.588 -5.267 1.00 42.42 N ATOM 1249 CA GLN A 79 -14.132 -2.950 -4.852 1.00 32.14 C ATOM 1250 C GLN A 79 -14.473 -1.789 -5.803 1.00 10.43 C ATOM 1251 O GLN A 79 -14.230 -0.625 -5.493 1.00 74.31 O ATOM 1252 CB GLN A 79 -14.035 -2.438 -3.405 1.00 11.11 C ATOM 1253 CG GLN A 79 -13.467 -3.451 -2.411 1.00 25.33 C ATOM 1254 CD GLN A 79 -14.258 -4.747 -2.346 1.00 0.03 C ATOM 1255 OE1 GLN A 79 -15.465 -4.772 -2.563 1.00 10.52 O ATOM 1256 NE2 GLN A 79 -13.583 -5.835 -2.040 1.00 54.32 N ATOM 0 H GLN A 79 -12.085 -3.407 -4.651 1.00 42.42 H new ATOM 0 HA GLN A 79 -14.927 -3.695 -4.898 1.00 32.14 H new ATOM 0 HB2 GLN A 79 -13.411 -1.544 -3.390 1.00 11.11 H new ATOM 0 HB3 GLN A 79 -15.029 -2.139 -3.072 1.00 11.11 H new ATOM 0 HG2 GLN A 79 -12.436 -3.677 -2.684 1.00 25.33 H new ATOM 0 HG3 GLN A 79 -13.442 -3.000 -1.419 1.00 25.33 H new ATOM 0 HE21 GLN A 79 -12.580 -5.780 -1.865 1.00 54.32 H new ATOM 0 HE22 GLN A 79 -14.063 -6.733 -1.978 1.00 54.32 H new ATOM 1265 N ASP A 80 -15.002 -2.125 -6.980 1.00 10.24 N ATOM 1266 CA ASP A 80 -15.232 -1.143 -8.053 1.00 20.35 C ATOM 1267 C ASP A 80 -13.896 -0.561 -8.572 1.00 33.54 C ATOM 1268 O ASP A 80 -13.869 0.418 -9.316 1.00 61.34 O ATOM 1269 CB ASP A 80 -16.180 -0.028 -7.570 1.00 0.34 C ATOM 1270 CG ASP A 80 -16.638 0.884 -8.695 1.00 64.04 C ATOM 1271 OD1 ASP A 80 -17.273 0.384 -9.643 1.00 1.11 O ATOM 1272 OD2 ASP A 80 -16.378 2.104 -8.639 1.00 63.02 O ATOM 0 H ASP A 80 -15.283 -3.076 -7.220 1.00 10.24 H new ATOM 0 HA ASP A 80 -15.710 -1.655 -8.888 1.00 20.35 H new ATOM 0 HB2 ASP A 80 -17.052 -0.479 -7.096 1.00 0.34 H new ATOM 0 HB3 ASP A 80 -15.675 0.567 -6.809 1.00 0.34 H new ATOM 1277 N GLY A 81 -12.788 -1.203 -8.196 1.00 33.40 N ATOM 1278 CA GLY A 81 -11.463 -0.754 -8.623 1.00 23.50 C ATOM 1279 C GLY A 81 -10.534 -0.405 -7.462 1.00 14.41 C ATOM 1280 O GLY A 81 -9.329 -0.654 -7.525 1.00 24.43 O ATOM 0 H GLY A 81 -12.782 -2.031 -7.600 1.00 33.40 H new ATOM 0 HA2 GLY A 81 -11.000 -1.535 -9.226 1.00 23.50 H new ATOM 0 HA3 GLY A 81 -11.574 0.120 -9.265 1.00 23.50 H new ATOM 1284 N VAL A 82 -11.093 0.155 -6.391 1.00 72.23 N ATOM 1285 CA VAL A 82 -10.288 0.636 -5.262 1.00 72.42 C ATOM 1286 C VAL A 82 -9.626 -0.509 -4.468 1.00 73.23 C ATOM 1287 O VAL A 82 -10.239 -1.547 -4.199 1.00 73.21 O ATOM 1288 CB VAL A 82 -11.131 1.521 -4.298 1.00 70.23 C ATOM 1289 CG1 VAL A 82 -12.292 0.738 -3.695 1.00 72.12 C ATOM 1290 CG2 VAL A 82 -10.259 2.117 -3.193 1.00 52.45 C ATOM 0 H VAL A 82 -12.098 0.288 -6.278 1.00 72.23 H new ATOM 0 HA VAL A 82 -9.493 1.239 -5.701 1.00 72.42 H new ATOM 0 HB VAL A 82 -11.545 2.339 -4.888 1.00 70.23 H new ATOM 0 HG11 VAL A 82 -12.860 1.386 -3.027 1.00 72.12 H new ATOM 0 HG12 VAL A 82 -12.943 0.380 -4.493 1.00 72.12 H new ATOM 0 HG13 VAL A 82 -11.905 -0.112 -3.133 1.00 72.12 H new ATOM 0 HG21 VAL A 82 -10.874 2.730 -2.535 1.00 52.45 H new ATOM 0 HG22 VAL A 82 -9.802 1.313 -2.617 1.00 52.45 H new ATOM 0 HG23 VAL A 82 -9.478 2.734 -3.638 1.00 52.45 H new ATOM 1300 N ILE A 83 -8.349 -0.312 -4.133 1.00 33.45 N ATOM 1301 CA ILE A 83 -7.607 -1.209 -3.237 1.00 62.31 C ATOM 1302 C ILE A 83 -7.057 -0.406 -2.041 1.00 41.34 C ATOM 1303 O ILE A 83 -6.734 0.773 -2.189 1.00 3.04 O ATOM 1304 CB ILE A 83 -6.430 -1.901 -3.977 1.00 51.43 C ATOM 1305 CG1 ILE A 83 -6.925 -2.554 -5.282 1.00 12.22 C ATOM 1306 CG2 ILE A 83 -5.762 -2.942 -3.076 1.00 73.41 C ATOM 1307 CD1 ILE A 83 -5.836 -3.253 -6.073 1.00 2.40 C ATOM 0 H ILE A 83 -7.797 0.475 -4.475 1.00 33.45 H new ATOM 0 HA ILE A 83 -8.293 -1.981 -2.887 1.00 62.31 H new ATOM 0 HB ILE A 83 -5.689 -1.142 -4.229 1.00 51.43 H new ATOM 0 HG12 ILE A 83 -7.706 -3.276 -5.042 1.00 12.22 H new ATOM 0 HG13 ILE A 83 -7.381 -1.788 -5.909 1.00 12.22 H new ATOM 0 HG21 ILE A 83 -4.940 -3.415 -3.614 1.00 73.41 H new ATOM 0 HG22 ILE A 83 -5.377 -2.455 -2.180 1.00 73.41 H new ATOM 0 HG23 ILE A 83 -6.493 -3.699 -2.791 1.00 73.41 H new ATOM 0 HD11 ILE A 83 -6.264 -3.687 -6.977 1.00 2.40 H new ATOM 0 HD12 ILE A 83 -5.065 -2.532 -6.346 1.00 2.40 H new ATOM 0 HD13 ILE A 83 -5.395 -4.043 -5.465 1.00 2.40 H new ATOM 1319 N ASN A 84 -6.961 -1.027 -0.861 1.00 51.35 N ATOM 1320 CA ASN A 84 -6.537 -0.311 0.360 1.00 34.14 C ATOM 1321 C ASN A 84 -5.286 -0.943 1.011 1.00 41.23 C ATOM 1322 O ASN A 84 -5.153 -2.167 1.078 1.00 35.10 O ATOM 1323 CB ASN A 84 -7.689 -0.288 1.374 1.00 72.33 C ATOM 1324 CG ASN A 84 -8.944 0.363 0.814 1.00 44.32 C ATOM 1325 OD1 ASN A 84 -9.788 -0.295 0.223 1.00 60.23 O ATOM 1326 ND2 ASN A 84 -9.074 1.664 0.988 1.00 44.01 N ATOM 0 H ASN A 84 -7.168 -2.016 -0.719 1.00 51.35 H new ATOM 0 HA ASN A 84 -6.273 0.705 0.065 1.00 34.14 H new ATOM 0 HB2 ASN A 84 -7.919 -1.308 1.681 1.00 72.33 H new ATOM 0 HB3 ASN A 84 -7.372 0.250 2.267 1.00 72.33 H new ATOM 0 HD21 ASN A 84 -9.896 2.147 0.625 1.00 44.01 H new ATOM 0 HD22 ASN A 84 -8.353 2.187 1.485 1.00 44.01 H new ATOM 1333 N GLY A 85 -4.378 -0.088 1.495 1.00 23.10 N ATOM 1334 CA GLY A 85 -3.176 -0.559 2.181 1.00 54.30 C ATOM 1335 C GLY A 85 -2.510 0.527 3.030 1.00 10.23 C ATOM 1336 O GLY A 85 -2.893 1.697 2.965 1.00 30.11 O ATOM 0 H GLY A 85 -4.454 0.927 1.424 1.00 23.10 H new ATOM 0 HA2 GLY A 85 -3.436 -1.404 2.819 1.00 54.30 H new ATOM 0 HA3 GLY A 85 -2.462 -0.925 1.443 1.00 54.30 H new ATOM 1340 N VAL A 86 -1.509 0.141 3.830 1.00 70.41 N ATOM 1341 CA VAL A 86 -0.776 1.094 4.688 1.00 71.32 C ATOM 1342 C VAL A 86 0.710 1.172 4.299 1.00 51.22 C ATOM 1343 O VAL A 86 1.331 0.157 3.986 1.00 2.43 O ATOM 1344 CB VAL A 86 -0.863 0.704 6.189 1.00 31.51 C ATOM 1345 CG1 VAL A 86 -0.549 1.902 7.085 1.00 42.31 C ATOM 1346 CG2 VAL A 86 -2.226 0.105 6.525 1.00 30.02 C ATOM 0 H VAL A 86 -1.184 -0.823 3.905 1.00 70.41 H new ATOM 0 HA VAL A 86 -1.251 2.063 4.536 1.00 71.32 H new ATOM 0 HB VAL A 86 -0.111 -0.061 6.380 1.00 31.51 H new ATOM 0 HG11 VAL A 86 -0.617 1.602 8.131 1.00 42.31 H new ATOM 0 HG12 VAL A 86 0.459 2.259 6.875 1.00 42.31 H new ATOM 0 HG13 VAL A 86 -1.265 2.700 6.889 1.00 42.31 H new ATOM 0 HG21 VAL A 86 -2.257 -0.158 7.582 1.00 30.02 H new ATOM 0 HG22 VAL A 86 -3.007 0.834 6.309 1.00 30.02 H new ATOM 0 HG23 VAL A 86 -2.389 -0.789 5.924 1.00 30.02 H new ATOM 1356 N LEU A 87 1.282 2.372 4.338 1.00 3.02 N ATOM 1357 CA LEU A 87 2.698 2.566 4.000 1.00 42.11 C ATOM 1358 C LEU A 87 3.615 2.116 5.152 1.00 23.22 C ATOM 1359 O LEU A 87 3.558 2.661 6.247 1.00 0.24 O ATOM 1360 CB LEU A 87 2.957 4.043 3.666 1.00 11.40 C ATOM 1361 CG LEU A 87 4.391 4.389 3.226 1.00 3.22 C ATOM 1362 CD1 LEU A 87 4.769 3.635 1.952 1.00 60.31 C ATOM 1363 CD2 LEU A 87 4.537 5.896 3.024 1.00 15.30 C ATOM 0 H LEU A 87 0.791 3.227 4.599 1.00 3.02 H new ATOM 0 HA LEU A 87 2.927 1.952 3.129 1.00 42.11 H new ATOM 0 HB2 LEU A 87 2.272 4.342 2.873 1.00 11.40 H new ATOM 0 HB3 LEU A 87 2.711 4.643 4.543 1.00 11.40 H new ATOM 0 HG LEU A 87 5.074 4.077 4.016 1.00 3.22 H new ATOM 0 HD11 LEU A 87 5.787 3.897 1.662 1.00 60.31 H new ATOM 0 HD12 LEU A 87 4.708 2.562 2.133 1.00 60.31 H new ATOM 0 HD13 LEU A 87 4.082 3.907 1.151 1.00 60.31 H new ATOM 0 HD21 LEU A 87 5.556 6.124 2.713 1.00 15.30 H new ATOM 0 HD22 LEU A 87 3.840 6.229 2.255 1.00 15.30 H new ATOM 0 HD23 LEU A 87 4.319 6.411 3.959 1.00 15.30 H new ATOM 1375 N ILE A 88 4.451 1.109 4.900 1.00 23.14 N ATOM 1376 CA ILE A 88 5.391 0.607 5.916 1.00 13.31 C ATOM 1377 C ILE A 88 6.808 0.456 5.340 1.00 73.13 C ATOM 1378 O ILE A 88 7.033 0.633 4.142 1.00 53.41 O ATOM 1379 CB ILE A 88 4.940 -0.758 6.507 1.00 51.24 C ATOM 1380 CG1 ILE A 88 5.032 -1.860 5.439 1.00 11.21 C ATOM 1381 CG2 ILE A 88 3.524 -0.662 7.079 1.00 15.43 C ATOM 1382 CD1 ILE A 88 4.546 -3.215 5.913 1.00 40.31 C ATOM 0 H ILE A 88 4.501 0.622 4.005 1.00 23.14 H new ATOM 0 HA ILE A 88 5.399 1.349 6.715 1.00 13.31 H new ATOM 0 HB ILE A 88 5.611 -1.019 7.325 1.00 51.24 H new ATOM 0 HG12 ILE A 88 4.448 -1.559 4.569 1.00 11.21 H new ATOM 0 HG13 ILE A 88 6.068 -1.950 5.112 1.00 11.21 H new ATOM 0 HG21 ILE A 88 3.230 -1.629 7.487 1.00 15.43 H new ATOM 0 HG22 ILE A 88 3.501 0.088 7.870 1.00 15.43 H new ATOM 0 HG23 ILE A 88 2.831 -0.376 6.288 1.00 15.43 H new ATOM 0 HD11 ILE A 88 4.642 -3.939 5.104 1.00 40.31 H new ATOM 0 HD12 ILE A 88 5.145 -3.539 6.764 1.00 40.31 H new ATOM 0 HD13 ILE A 88 3.500 -3.142 6.212 1.00 40.31 H new ATOM 1394 N ARG A 89 7.756 0.105 6.205 1.00 55.42 N ATOM 1395 CA ARG A 89 9.169 -0.041 5.818 1.00 51.14 C ATOM 1396 C ARG A 89 9.877 -1.109 6.669 1.00 22.35 C ATOM 1397 O ARG A 89 10.720 -0.794 7.510 1.00 42.33 O ATOM 1398 CB ARG A 89 9.912 1.306 5.933 1.00 14.23 C ATOM 1399 CG ARG A 89 9.535 2.326 4.858 1.00 63.51 C ATOM 1400 CD ARG A 89 10.008 1.888 3.473 1.00 43.53 C ATOM 1401 NE ARG A 89 11.466 1.898 3.369 1.00 4.34 N ATOM 1402 CZ ARG A 89 12.151 1.246 2.470 1.00 54.21 C ATOM 1403 NH1 ARG A 89 11.567 0.442 1.641 1.00 60.22 N ATOM 1404 NH2 ARG A 89 13.433 1.391 2.419 1.00 65.55 N ATOM 0 H ARG A 89 7.575 -0.087 7.190 1.00 55.42 H new ATOM 0 HA ARG A 89 9.190 -0.366 4.778 1.00 51.14 H new ATOM 0 HB2 ARG A 89 9.709 1.737 6.913 1.00 14.23 H new ATOM 0 HB3 ARG A 89 10.985 1.121 5.882 1.00 14.23 H new ATOM 0 HG2 ARG A 89 8.453 2.461 4.847 1.00 63.51 H new ATOM 0 HG3 ARG A 89 9.974 3.293 5.104 1.00 63.51 H new ATOM 0 HD2 ARG A 89 9.635 0.886 3.262 1.00 43.53 H new ATOM 0 HD3 ARG A 89 9.585 2.551 2.718 1.00 43.53 H new ATOM 0 HE ARG A 89 11.985 2.455 4.048 1.00 4.34 H new ATOM 0 HH11 ARG A 89 10.556 0.310 1.684 1.00 60.22 H new ATOM 0 HH12 ARG A 89 12.117 -0.060 0.944 1.00 60.22 H new ATOM 0 HH21 ARG A 89 13.903 2.011 3.078 1.00 65.55 H new ATOM 0 HH22 ARG A 89 13.976 0.885 1.719 1.00 65.55 H new ATOM 1418 N GLU A 90 9.518 -2.373 6.449 1.00 62.51 N ATOM 1419 CA GLU A 90 10.133 -3.493 7.176 1.00 3.54 C ATOM 1420 C GLU A 90 11.544 -3.812 6.651 1.00 24.24 C ATOM 1421 O GLU A 90 12.283 -4.586 7.265 1.00 45.21 O ATOM 1422 CB GLU A 90 9.252 -4.747 7.075 1.00 70.03 C ATOM 1423 CG GLU A 90 7.857 -4.577 7.665 1.00 51.24 C ATOM 1424 CD GLU A 90 7.074 -5.880 7.690 1.00 43.22 C ATOM 1425 OE1 GLU A 90 6.388 -6.192 6.696 1.00 2.31 O ATOM 1426 OE2 GLU A 90 7.153 -6.609 8.701 1.00 42.11 O ATOM 0 H GLU A 90 8.805 -2.651 5.775 1.00 62.51 H new ATOM 0 HA GLU A 90 10.220 -3.190 8.219 1.00 3.54 H new ATOM 0 HB2 GLU A 90 9.159 -5.029 6.026 1.00 70.03 H new ATOM 0 HB3 GLU A 90 9.752 -5.571 7.584 1.00 70.03 H new ATOM 0 HG2 GLU A 90 7.940 -4.187 8.679 1.00 51.24 H new ATOM 0 HG3 GLU A 90 7.307 -3.837 7.083 1.00 51.24 H new ATOM 1433 N LEU A 91 11.900 -3.221 5.511 1.00 25.00 N ATOM 1434 CA LEU A 91 13.221 -3.425 4.902 1.00 63.24 C ATOM 1435 C LEU A 91 14.237 -2.388 5.410 1.00 0.35 C ATOM 1436 O LEU A 91 13.924 -1.565 6.274 1.00 52.42 O ATOM 1437 CB LEU A 91 13.111 -3.339 3.370 1.00 64.14 C ATOM 1438 CG LEU A 91 12.151 -4.350 2.717 1.00 53.40 C ATOM 1439 CD1 LEU A 91 12.091 -4.137 1.207 1.00 52.35 C ATOM 1440 CD2 LEU A 91 12.562 -5.786 3.046 1.00 23.40 C ATOM 0 H LEU A 91 11.291 -2.593 4.986 1.00 25.00 H new ATOM 0 HA LEU A 91 13.575 -4.416 5.188 1.00 63.24 H new ATOM 0 HB2 LEU A 91 12.788 -2.333 3.102 1.00 64.14 H new ATOM 0 HB3 LEU A 91 14.104 -3.480 2.943 1.00 64.14 H new ATOM 0 HG LEU A 91 11.155 -4.183 3.126 1.00 53.40 H new ATOM 0 HD11 LEU A 91 11.407 -4.861 0.764 1.00 52.35 H new ATOM 0 HD12 LEU A 91 11.737 -3.128 0.996 1.00 52.35 H new ATOM 0 HD13 LEU A 91 13.086 -4.270 0.781 1.00 52.35 H new ATOM 0 HD21 LEU A 91 11.868 -6.481 2.573 1.00 23.40 H new ATOM 0 HD22 LEU A 91 13.570 -5.970 2.674 1.00 23.40 H new ATOM 0 HD23 LEU A 91 12.542 -5.932 4.126 1.00 23.40 H new ATOM 1452 N GLU A 92 15.452 -2.425 4.858 1.00 41.52 N ATOM 1453 CA GLU A 92 16.507 -1.481 5.246 1.00 65.33 C ATOM 1454 C GLU A 92 16.085 -0.025 5.007 1.00 42.01 C ATOM 1455 O GLU A 92 15.650 0.348 3.918 1.00 52.45 O ATOM 1456 CB GLU A 92 17.813 -1.775 4.490 1.00 2.44 C ATOM 1457 CG GLU A 92 18.529 -3.038 4.959 1.00 73.42 C ATOM 1458 CD GLU A 92 18.881 -2.994 6.442 1.00 42.22 C ATOM 1459 OE1 GLU A 92 19.648 -2.094 6.854 1.00 54.04 O ATOM 1460 OE2 GLU A 92 18.399 -3.859 7.200 1.00 61.42 O ATOM 0 H GLU A 92 15.731 -3.096 4.142 1.00 41.52 H new ATOM 0 HA GLU A 92 16.676 -1.615 6.314 1.00 65.33 H new ATOM 0 HB2 GLU A 92 17.592 -1.868 3.427 1.00 2.44 H new ATOM 0 HB3 GLU A 92 18.486 -0.925 4.603 1.00 2.44 H new ATOM 0 HG2 GLU A 92 17.896 -3.904 4.765 1.00 73.42 H new ATOM 0 HG3 GLU A 92 19.440 -3.172 4.377 1.00 73.42 H new ATOM 1467 N HIS A 93 16.245 0.797 6.034 1.00 23.20 N ATOM 1468 CA HIS A 93 15.872 2.212 5.966 1.00 5.23 C ATOM 1469 C HIS A 93 17.010 3.065 5.370 1.00 31.24 C ATOM 1470 O HIS A 93 17.193 4.222 5.744 1.00 3.11 O ATOM 1471 CB HIS A 93 15.510 2.694 7.374 1.00 74.11 C ATOM 1472 CG HIS A 93 14.469 1.837 8.038 1.00 32.01 C ATOM 1473 ND1 HIS A 93 14.779 0.826 8.926 1.00 62.53 N ATOM 1474 CD2 HIS A 93 13.118 1.822 7.919 1.00 1.21 C ATOM 1475 CE1 HIS A 93 13.671 0.228 9.318 1.00 25.23 C ATOM 1476 NE2 HIS A 93 12.649 0.812 8.726 1.00 13.33 N ATOM 0 H HIS A 93 16.633 0.510 6.933 1.00 23.20 H new ATOM 0 HA HIS A 93 15.011 2.324 5.307 1.00 5.23 H new ATOM 0 HB2 HIS A 93 16.409 2.707 7.990 1.00 74.11 H new ATOM 0 HB3 HIS A 93 15.147 3.720 7.319 1.00 74.11 H new ATOM 0 HD2 HIS A 93 12.522 2.481 7.305 1.00 1.21 H new ATOM 0 HE1 HIS A 93 13.611 -0.601 10.008 1.00 25.23 H new ATOM 0 HE2 HIS A 93 11.669 0.556 8.847 1.00 13.33 H new ATOM 1485 N HIS A 94 17.732 2.481 4.405 1.00 13.41 N ATOM 1486 CA HIS A 94 18.894 3.108 3.744 1.00 60.31 C ATOM 1487 C HIS A 94 19.803 3.903 4.708 1.00 4.31 C ATOM 1488 O HIS A 94 19.812 5.134 4.713 1.00 5.34 O ATOM 1489 CB HIS A 94 18.463 3.970 2.538 1.00 40.12 C ATOM 1490 CG HIS A 94 17.420 5.004 2.835 1.00 32.05 C ATOM 1491 ND1 HIS A 94 17.686 6.170 3.516 1.00 30.22 N ATOM 1492 CD2 HIS A 94 16.099 5.042 2.536 1.00 2.40 C ATOM 1493 CE1 HIS A 94 16.581 6.880 3.623 1.00 12.32 C ATOM 1494 NE2 HIS A 94 15.602 6.219 3.037 1.00 4.51 N ATOM 0 H HIS A 94 17.526 1.546 4.053 1.00 13.41 H new ATOM 0 HA HIS A 94 19.502 2.283 3.374 1.00 60.31 H new ATOM 0 HB2 HIS A 94 19.344 4.470 2.136 1.00 40.12 H new ATOM 0 HB3 HIS A 94 18.086 3.311 1.756 1.00 40.12 H new ATOM 0 HD1 HIS A 94 18.598 6.443 3.882 1.00 30.22 H new ATOM 0 HD2 HIS A 94 15.541 4.287 2.003 1.00 2.40 H new ATOM 0 HE1 HIS A 94 16.492 7.841 4.108 1.00 12.32 H new ATOM 1503 N HIS A 95 20.550 3.172 5.537 1.00 4.31 N ATOM 1504 CA HIS A 95 21.571 3.756 6.420 1.00 0.43 C ATOM 1505 C HIS A 95 22.764 2.802 6.572 1.00 24.24 C ATOM 1506 O HIS A 95 22.585 1.622 6.879 1.00 62.02 O ATOM 1507 CB HIS A 95 20.995 4.072 7.811 1.00 22.44 C ATOM 1508 CG HIS A 95 20.000 5.190 7.824 1.00 72.43 C ATOM 1509 ND1 HIS A 95 20.333 6.493 7.528 1.00 30.34 N ATOM 1510 CD2 HIS A 95 18.675 5.201 8.102 1.00 3.14 C ATOM 1511 CE1 HIS A 95 19.262 7.252 7.625 1.00 3.35 C ATOM 1512 NE2 HIS A 95 18.241 6.497 7.972 1.00 72.43 N ATOM 0 H HIS A 95 20.467 2.159 5.618 1.00 4.31 H new ATOM 0 HA HIS A 95 21.904 4.686 5.959 1.00 0.43 H new ATOM 0 HB2 HIS A 95 20.521 3.174 8.208 1.00 22.44 H new ATOM 0 HB3 HIS A 95 21.816 4.323 8.483 1.00 22.44 H new ATOM 0 HD2 HIS A 95 18.071 4.348 8.375 1.00 3.14 H new ATOM 0 HE1 HIS A 95 19.227 8.317 7.449 1.00 3.35 H new ATOM 0 HE2 HIS A 95 17.285 6.821 8.120 1.00 72.43 H new ATOM 1521 N HIS A 96 23.974 3.316 6.357 1.00 2.12 N ATOM 1522 CA HIS A 96 25.193 2.511 6.510 1.00 61.12 C ATOM 1523 C HIS A 96 25.411 2.088 7.978 1.00 23.30 C ATOM 1524 O HIS A 96 25.566 2.931 8.862 1.00 32.01 O ATOM 1525 CB HIS A 96 26.414 3.283 5.977 1.00 62.31 C ATOM 1526 CG HIS A 96 26.640 4.616 6.630 1.00 41.25 C ATOM 1527 ND1 HIS A 96 25.955 5.759 6.276 1.00 33.24 N ATOM 1528 CD2 HIS A 96 27.489 4.988 7.618 1.00 32.44 C ATOM 1529 CE1 HIS A 96 26.373 6.769 7.010 1.00 32.53 C ATOM 1530 NE2 HIS A 96 27.301 6.331 7.834 1.00 54.35 N ATOM 0 H HIS A 96 24.140 4.283 6.077 1.00 2.12 H new ATOM 0 HA HIS A 96 25.071 1.601 5.922 1.00 61.12 H new ATOM 0 HB2 HIS A 96 27.304 2.669 6.114 1.00 62.31 H new ATOM 0 HB3 HIS A 96 26.293 3.434 4.904 1.00 62.31 H new ATOM 0 HD2 HIS A 96 28.185 4.347 8.139 1.00 32.44 H new ATOM 0 HE1 HIS A 96 26.015 7.786 6.947 1.00 32.53 H new ATOM 0 HE2 HIS A 96 27.799 6.897 8.521 1.00 54.35 H new ATOM 1539 N HIS A 97 25.414 0.777 8.226 1.00 21.41 N ATOM 1540 CA HIS A 97 25.582 0.239 9.585 1.00 50.11 C ATOM 1541 C HIS A 97 27.058 -0.048 9.914 1.00 2.14 C ATOM 1542 O HIS A 97 27.916 -0.034 9.031 1.00 61.33 O ATOM 1543 CB HIS A 97 24.749 -1.043 9.754 1.00 2.32 C ATOM 1544 CG HIS A 97 25.092 -2.147 8.786 1.00 72.45 C ATOM 1545 ND1 HIS A 97 24.184 -2.673 7.893 1.00 41.42 N ATOM 1546 CD2 HIS A 97 26.241 -2.849 8.594 1.00 34.30 C ATOM 1547 CE1 HIS A 97 24.751 -3.641 7.203 1.00 53.32 C ATOM 1548 NE2 HIS A 97 25.995 -3.765 7.606 1.00 63.10 N ATOM 0 H HIS A 97 25.302 0.064 7.505 1.00 21.41 H new ATOM 0 HA HIS A 97 25.230 0.999 10.282 1.00 50.11 H new ATOM 0 HB2 HIS A 97 24.881 -1.415 10.770 1.00 2.32 H new ATOM 0 HB3 HIS A 97 23.694 -0.793 9.640 1.00 2.32 H new ATOM 0 HD2 HIS A 97 27.173 -2.710 9.122 1.00 34.30 H new ATOM 0 HE1 HIS A 97 24.274 -4.233 6.436 1.00 53.32 H new ATOM 0 HE2 HIS A 97 26.670 -4.437 7.241 1.00 63.10 H new ATOM 1557 N HIS A 98 27.343 -0.322 11.188 1.00 63.35 N ATOM 1558 CA HIS A 98 28.704 -0.671 11.626 1.00 4.21 C ATOM 1559 C HIS A 98 28.927 -2.199 11.598 1.00 2.05 C ATOM 1560 O HIS A 98 29.526 -2.700 10.623 1.00 37.55 O ATOM 1561 CB HIS A 98 28.967 -0.109 13.035 1.00 1.33 C ATOM 1562 CG HIS A 98 30.312 -0.469 13.599 1.00 74.45 C ATOM 1563 ND1 HIS A 98 31.499 0.033 13.107 1.00 53.55 N ATOM 1564 CD2 HIS A 98 30.658 -1.294 14.621 1.00 64.24 C ATOM 1565 CE1 HIS A 98 32.507 -0.463 13.798 1.00 4.33 C ATOM 1566 NE2 HIS A 98 32.026 -1.269 14.718 1.00 5.30 N ATOM 1567 OXT HIS A 98 28.496 -2.893 12.547 1.00 37.55 O ATOM 0 H HIS A 98 26.652 -0.310 11.938 1.00 63.35 H new ATOM 0 HA HIS A 98 29.412 -0.221 10.930 1.00 4.21 H new ATOM 0 HB2 HIS A 98 28.877 0.977 13.004 1.00 1.33 H new ATOM 0 HB3 HIS A 98 28.193 -0.474 13.710 1.00 1.33 H new ATOM 0 HD2 HIS A 98 29.982 -1.864 15.242 1.00 64.24 H new ATOM 0 HE1 HIS A 98 33.552 -0.244 13.635 1.00 4.33 H new ATOM 0 HE2 HIS A 98 32.581 -1.792 15.395 1.00 5.30 H new TER 1576 HIS A 98