USER MOD reduce.3.24.130724 H: found=0, std=0, add=1001, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 997 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 13 HIS : no HD1:sc= -0.687 K(o=-2.9,f=-3.9!) USER MOD Set 1.2: A 17 MET CE :methyl -177:sc= -1.21 (180deg=-1.25) USER MOD Set 1.3: A 101 TYR OH : rot 15:sc= 0 USER MOD Set 1.4: A 113 HIS : no HD1:sc= -1.01 X(o=-2.9,f=-3) USER MOD Set 2.1: A 37 TYR OH : rot 46:sc= 0.247 USER MOD Set 2.2: A 49 HIS : no HD1:sc= -0.949 X(o=-0.99,f=-1.5) USER MOD Set 2.3: A 77 HIS : no HD1:sc= -0.178 X(o=-0.99,f=-1) USER MOD Set 2.4: A 78 MET CE :methyl -117:sc= -0.114 (180deg=-2.67!) USER MOD Set 2.5: A 81 MET CE :methyl 169:sc= 0 (180deg=0) USER MOD Set 3.1: A 31 THR OG1 : rot 180:sc= 1 USER MOD Set 3.2: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 3.3: A 54 GLN : amide:sc= -0.501 K(o=1.7,f=1.1) USER MOD Set 3.4: A 93 LYS NZ :NH3+ 175:sc= 1.17 (180deg=0) USER MOD Set 4.1: A 36 SER OG : rot 67:sc= 0.884 USER MOD Set 4.2: A 48 HIS :FLIP no HE2:sc= 0.146 F(o=-0.61,f=1) USER MOD Set 5.1: A 25 THR OG1 : rot -29:sc= 0.873 USER MOD Set 5.2: A 28 TYR OH : rot 180:sc=-0.00212 USER MOD Set 5.3: A 98 MET CE :methyl 156:sc= -0.258 (180deg=-0.791) USER MOD Set 6.1: A 10 ASN : amide:sc= 0.478 X(o=1.1,f=1) USER MOD Set 6.2: A 11 THR OG1 : rot 58:sc= 0.485 USER MOD Set 6.3: A 122 SER OG : rot 180:sc= 0.183 USER MOD Set 7.1: A 1 MET N :NH3+ -172:sc= 0.712 (180deg=0.0333) USER MOD Set 7.2: A 97 TYR OH : rot -126:sc= 0.922 USER MOD Single : A 1 MET CE :methyl -137:sc= 0 (180deg=-0.275) USER MOD Single : A 2 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0414) USER MOD Single : A 5 SER OG : rot 91:sc= 0.824 USER MOD Single : A 6 GLN : amide:sc= 0.21 X(o=0.21,f=0) USER MOD Single : A 12 SER OG : rot 31:sc= 0.119 USER MOD Single : A 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -131:sc= -0.632 (180deg=-2.73!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.307 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 41 ASN : amide:sc= -0.151 X(o=-0.15,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0879 X(o=-0.088,f=-0.28) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -162:sc= 0.487 (180deg=0.351) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.339 K(o=-0.34,f=-6.3!) USER MOD Single : A 70 GLN : amide:sc= -1.31 K(o=-1.3,f=-2.1) USER MOD Single : A 76 SER OG : rot 52:sc= 0.28 USER MOD Single : A 79 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00196) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc=-0.00691 USER MOD Single : A 95 THR OG1 : rot -33:sc= 0.176 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= -0.611 USER MOD Single : A 104 THR OG1 : rot -150:sc= 0.576 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ -168:sc= 0.731 (180deg=0.504) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 ASN : amide:sc= -0.0795 X(o=-0.08,f=-0.076) USER MOD Single : A 114 LYS NZ :NH3+ -131:sc= 1.46 (180deg=-1.33!) USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.191 USER MOD Single : A 124 LYS NZ :NH3+ 160:sc=-0.00871 (180deg=-0.0506) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.0048) USER MOD Single : A 128 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 129 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 130 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 131 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.552 15.840 -1.745 1.00 52.24 N ATOM 2 CA MET A 1 -4.466 15.873 -3.227 1.00 34.15 C ATOM 3 C MET A 1 -5.772 15.334 -3.851 1.00 65.42 C ATOM 4 O MET A 1 -6.342 14.356 -3.367 1.00 22.43 O ATOM 5 CB MET A 1 -3.237 15.055 -3.709 1.00 12.22 C ATOM 6 CG MET A 1 -1.885 15.585 -3.205 1.00 35.00 C ATOM 7 SD MET A 1 -0.495 14.548 -3.703 1.00 14.43 S ATOM 8 CE MET A 1 0.892 15.450 -3.002 1.00 11.23 C ATOM 0 H1 MET A 1 -3.728 16.328 -1.339 1.00 52.24 H new ATOM 0 H2 MET A 1 -5.423 16.317 -1.437 1.00 52.24 H new ATOM 0 H3 MET A 1 -4.565 14.852 -1.420 1.00 52.24 H new ATOM 0 HA MET A 1 -4.337 16.905 -3.553 1.00 34.15 H new ATOM 0 HB2 MET A 1 -3.353 14.021 -3.383 1.00 12.22 H new ATOM 0 HB3 MET A 1 -3.227 15.046 -4.799 1.00 12.22 H new ATOM 0 HG2 MET A 1 -1.732 16.595 -3.584 1.00 35.00 H new ATOM 0 HG3 MET A 1 -1.910 15.653 -2.117 1.00 35.00 H new ATOM 0 HE1 MET A 1 1.707 15.483 -3.725 1.00 11.23 H new ATOM 0 HE2 MET A 1 0.580 16.466 -2.760 1.00 11.23 H new ATOM 0 HE3 MET A 1 1.231 14.949 -2.095 1.00 11.23 H new ATOM 20 N LYS A 2 -6.248 15.999 -4.919 1.00 0.13 N ATOM 21 CA LYS A 2 -7.500 15.619 -5.630 1.00 30.13 C ATOM 22 C LYS A 2 -7.198 14.694 -6.839 1.00 54.21 C ATOM 23 O LYS A 2 -6.058 14.622 -7.310 1.00 41.13 O ATOM 24 CB LYS A 2 -8.272 16.896 -6.099 1.00 3.02 C ATOM 25 CG LYS A 2 -8.972 17.723 -4.980 1.00 3.23 C ATOM 26 CD LYS A 2 -7.994 18.428 -4.004 1.00 3.33 C ATOM 27 CE LYS A 2 -8.712 19.306 -2.960 1.00 43.13 C ATOM 28 NZ LYS A 2 -9.413 20.465 -3.580 1.00 64.51 N ATOM 0 H LYS A 2 -5.783 16.814 -5.319 1.00 0.13 H new ATOM 0 HA LYS A 2 -8.129 15.067 -4.932 1.00 30.13 H new ATOM 0 HB2 LYS A 2 -7.571 17.548 -6.620 1.00 3.02 H new ATOM 0 HB3 LYS A 2 -9.027 16.593 -6.825 1.00 3.02 H new ATOM 0 HG2 LYS A 2 -9.609 18.475 -5.445 1.00 3.23 H new ATOM 0 HG3 LYS A 2 -9.624 17.062 -4.409 1.00 3.23 H new ATOM 0 HD2 LYS A 2 -7.398 17.675 -3.489 1.00 3.33 H new ATOM 0 HD3 LYS A 2 -7.302 19.046 -4.576 1.00 3.33 H new ATOM 0 HE2 LYS A 2 -9.433 18.699 -2.413 1.00 43.13 H new ATOM 0 HE3 LYS A 2 -7.985 19.670 -2.234 1.00 43.13 H new ATOM 0 HZ1 LYS A 2 -9.779 21.089 -2.833 1.00 64.51 H new ATOM 0 HZ2 LYS A 2 -8.747 20.994 -4.178 1.00 64.51 H new ATOM 0 HZ3 LYS A 2 -10.203 20.122 -4.163 1.00 64.51 H new ATOM 42 N VAL A 3 -8.232 13.982 -7.332 1.00 35.31 N ATOM 43 CA VAL A 3 -8.110 13.106 -8.526 1.00 30.31 C ATOM 44 C VAL A 3 -7.822 13.938 -9.812 1.00 41.25 C ATOM 45 O VAL A 3 -8.557 14.874 -10.145 1.00 24.25 O ATOM 46 CB VAL A 3 -9.396 12.208 -8.709 1.00 73.24 C ATOM 47 CG1 VAL A 3 -9.338 11.349 -10.003 1.00 22.21 C ATOM 48 CG2 VAL A 3 -9.614 11.305 -7.467 1.00 60.43 C ATOM 0 H VAL A 3 -9.166 13.994 -6.923 1.00 35.31 H new ATOM 0 HA VAL A 3 -7.260 12.444 -8.362 1.00 30.31 H new ATOM 0 HB VAL A 3 -10.245 12.884 -8.809 1.00 73.24 H new ATOM 0 HG11 VAL A 3 -10.245 10.750 -10.083 1.00 22.21 H new ATOM 0 HG12 VAL A 3 -9.258 12.004 -10.871 1.00 22.21 H new ATOM 0 HG13 VAL A 3 -8.470 10.691 -9.964 1.00 22.21 H new ATOM 0 HG21 VAL A 3 -10.505 10.694 -7.613 1.00 60.43 H new ATOM 0 HG22 VAL A 3 -8.748 10.657 -7.332 1.00 60.43 H new ATOM 0 HG23 VAL A 3 -9.742 11.928 -6.582 1.00 60.43 H new ATOM 58 N GLY A 4 -6.733 13.578 -10.514 1.00 3.23 N ATOM 59 CA GLY A 4 -6.243 14.316 -11.692 1.00 13.02 C ATOM 60 C GLY A 4 -4.964 15.113 -11.410 1.00 0.53 C ATOM 61 O GLY A 4 -4.419 15.758 -12.315 1.00 25.14 O ATOM 0 H GLY A 4 -6.166 12.764 -10.279 1.00 3.23 H new ATOM 0 HA2 GLY A 4 -6.055 13.612 -12.502 1.00 13.02 H new ATOM 0 HA3 GLY A 4 -7.021 14.998 -12.036 1.00 13.02 H new ATOM 65 N SER A 5 -4.480 15.070 -10.146 1.00 3.33 N ATOM 66 CA SER A 5 -3.229 15.752 -9.728 1.00 40.31 C ATOM 67 C SER A 5 -1.969 15.024 -10.259 1.00 20.43 C ATOM 68 O SER A 5 -1.832 13.805 -10.094 1.00 42.13 O ATOM 69 CB SER A 5 -3.153 15.856 -8.184 1.00 12.31 C ATOM 70 OG SER A 5 -4.171 16.706 -7.666 1.00 53.05 O ATOM 0 H SER A 5 -4.942 14.565 -9.390 1.00 3.33 H new ATOM 0 HA SER A 5 -3.252 16.752 -10.160 1.00 40.31 H new ATOM 0 HB2 SER A 5 -3.250 14.862 -7.746 1.00 12.31 H new ATOM 0 HB3 SER A 5 -2.175 16.239 -7.892 1.00 12.31 H new ATOM 0 HG SER A 5 -4.968 16.174 -7.460 1.00 53.05 H new ATOM 76 N GLN A 6 -1.057 15.789 -10.894 1.00 73.35 N ATOM 77 CA GLN A 6 0.255 15.277 -11.360 1.00 12.53 C ATOM 78 C GLN A 6 1.355 15.661 -10.341 1.00 24.01 C ATOM 79 O GLN A 6 1.634 16.846 -10.127 1.00 11.32 O ATOM 80 CB GLN A 6 0.589 15.825 -12.771 1.00 2.01 C ATOM 81 CG GLN A 6 -0.382 15.366 -13.874 1.00 73.33 C ATOM 82 CD GLN A 6 -0.035 15.934 -15.254 1.00 22.42 C ATOM 83 OE1 GLN A 6 -0.511 16.993 -15.644 1.00 50.44 O ATOM 84 NE2 GLN A 6 0.803 15.239 -15.998 1.00 51.01 N ATOM 0 H GLN A 6 -1.206 16.777 -11.099 1.00 73.35 H new ATOM 0 HA GLN A 6 0.207 14.190 -11.431 1.00 12.53 H new ATOM 0 HB2 GLN A 6 0.590 16.914 -12.734 1.00 2.01 H new ATOM 0 HB3 GLN A 6 1.599 15.514 -13.039 1.00 2.01 H new ATOM 0 HG2 GLN A 6 -0.377 14.277 -13.924 1.00 73.33 H new ATOM 0 HG3 GLN A 6 -1.395 15.668 -13.607 1.00 73.33 H new ATOM 0 HE21 GLN A 6 1.185 14.360 -15.650 1.00 51.01 H new ATOM 0 HE22 GLN A 6 1.069 15.581 -16.922 1.00 51.01 H new ATOM 93 N VAL A 7 1.985 14.639 -9.736 1.00 3.34 N ATOM 94 CA VAL A 7 2.881 14.791 -8.560 1.00 31.14 C ATOM 95 C VAL A 7 4.182 13.973 -8.747 1.00 12.01 C ATOM 96 O VAL A 7 4.198 12.996 -9.482 1.00 61.50 O ATOM 97 CB VAL A 7 2.145 14.357 -7.221 1.00 22.24 C ATOM 98 CG1 VAL A 7 0.957 15.302 -6.895 1.00 54.33 C ATOM 99 CG2 VAL A 7 1.677 12.875 -7.264 1.00 32.20 C ATOM 0 H VAL A 7 1.890 13.672 -10.047 1.00 3.34 H new ATOM 0 HA VAL A 7 3.145 15.846 -8.479 1.00 31.14 H new ATOM 0 HB VAL A 7 2.877 14.444 -6.418 1.00 22.24 H new ATOM 0 HG11 VAL A 7 0.476 14.976 -5.973 1.00 54.33 H new ATOM 0 HG12 VAL A 7 1.325 16.320 -6.772 1.00 54.33 H new ATOM 0 HG13 VAL A 7 0.235 15.273 -7.711 1.00 54.33 H new ATOM 0 HG21 VAL A 7 1.179 12.623 -6.327 1.00 32.20 H new ATOM 0 HG22 VAL A 7 0.982 12.737 -8.093 1.00 32.20 H new ATOM 0 HG23 VAL A 7 2.541 12.225 -7.402 1.00 32.20 H new ATOM 109 N ILE A 8 5.277 14.399 -8.088 1.00 25.32 N ATOM 110 CA ILE A 8 6.572 13.667 -8.097 1.00 22.40 C ATOM 111 C ILE A 8 6.733 12.854 -6.785 1.00 3.24 C ATOM 112 O ILE A 8 6.667 13.411 -5.697 1.00 73.10 O ATOM 113 CB ILE A 8 7.779 14.667 -8.279 1.00 4.23 C ATOM 114 CG1 ILE A 8 7.611 15.506 -9.590 1.00 13.14 C ATOM 115 CG2 ILE A 8 9.150 13.932 -8.261 1.00 14.24 C ATOM 116 CD1 ILE A 8 7.569 14.698 -10.883 1.00 63.31 C ATOM 0 H ILE A 8 5.296 15.256 -7.535 1.00 25.32 H new ATOM 0 HA ILE A 8 6.574 12.977 -8.941 1.00 22.40 H new ATOM 0 HB ILE A 8 7.768 15.349 -7.429 1.00 4.23 H new ATOM 0 HG12 ILE A 8 6.692 16.087 -9.514 1.00 13.14 H new ATOM 0 HG13 ILE A 8 8.434 16.218 -9.653 1.00 13.14 H new ATOM 0 HG21 ILE A 8 9.953 14.657 -8.389 1.00 14.24 H new ATOM 0 HG22 ILE A 8 9.274 13.417 -7.308 1.00 14.24 H new ATOM 0 HG23 ILE A 8 9.184 13.205 -9.073 1.00 14.24 H new ATOM 0 HD11 ILE A 8 7.450 15.373 -11.730 1.00 63.31 H new ATOM 0 HD12 ILE A 8 8.498 14.138 -10.992 1.00 63.31 H new ATOM 0 HD13 ILE A 8 6.729 14.004 -10.851 1.00 63.31 H new ATOM 128 N ILE A 9 6.995 11.545 -6.898 1.00 43.21 N ATOM 129 CA ILE A 9 6.979 10.621 -5.735 1.00 12.04 C ATOM 130 C ILE A 9 8.340 10.656 -4.981 1.00 42.12 C ATOM 131 O ILE A 9 9.393 10.549 -5.613 1.00 43.52 O ATOM 132 CB ILE A 9 6.667 9.150 -6.192 1.00 34.35 C ATOM 133 CG1 ILE A 9 5.438 9.097 -7.157 1.00 2.22 C ATOM 134 CG2 ILE A 9 6.443 8.230 -4.969 1.00 70.35 C ATOM 135 CD1 ILE A 9 5.156 7.721 -7.752 1.00 11.25 C ATOM 0 H ILE A 9 7.222 11.092 -7.783 1.00 43.21 H new ATOM 0 HA ILE A 9 6.192 10.955 -5.059 1.00 12.04 H new ATOM 0 HB ILE A 9 7.535 8.786 -6.742 1.00 34.35 H new ATOM 0 HG12 ILE A 9 4.553 9.433 -6.616 1.00 2.22 H new ATOM 0 HG13 ILE A 9 5.601 9.804 -7.971 1.00 2.22 H new ATOM 0 HG21 ILE A 9 6.229 7.217 -5.310 1.00 70.35 H new ATOM 0 HG22 ILE A 9 7.340 8.222 -4.350 1.00 70.35 H new ATOM 0 HG23 ILE A 9 5.602 8.601 -4.384 1.00 70.35 H new ATOM 0 HD11 ILE A 9 4.287 7.779 -8.408 1.00 11.25 H new ATOM 0 HD12 ILE A 9 6.021 7.388 -8.325 1.00 11.25 H new ATOM 0 HD13 ILE A 9 4.957 7.011 -6.949 1.00 11.25 H new ATOM 147 N ASN A 10 8.320 10.796 -3.633 1.00 23.13 N ATOM 148 CA ASN A 10 9.566 10.864 -2.819 1.00 31.52 C ATOM 149 C ASN A 10 9.945 9.475 -2.229 1.00 70.33 C ATOM 150 O ASN A 10 11.086 9.017 -2.391 1.00 60.02 O ATOM 151 CB ASN A 10 9.451 11.950 -1.704 1.00 71.41 C ATOM 152 CG ASN A 10 8.222 11.801 -0.804 1.00 45.43 C ATOM 153 OD1 ASN A 10 8.250 11.112 0.211 1.00 53.30 O ATOM 154 ND2 ASN A 10 7.133 12.453 -1.160 1.00 33.10 N ATOM 0 H ASN A 10 7.462 10.864 -3.086 1.00 23.13 H new ATOM 0 HA ASN A 10 10.377 11.159 -3.485 1.00 31.52 H new ATOM 0 HB2 ASN A 10 10.347 11.914 -1.084 1.00 71.41 H new ATOM 0 HB3 ASN A 10 9.427 12.934 -2.173 1.00 71.41 H new ATOM 0 HD21 ASN A 10 6.291 12.391 -0.588 1.00 33.10 H new ATOM 0 HD22 ASN A 10 7.132 13.020 -2.008 1.00 33.10 H new ATOM 161 N THR A 11 8.985 8.802 -1.559 1.00 71.44 N ATOM 162 CA THR A 11 9.202 7.452 -0.966 1.00 3.11 C ATOM 163 C THR A 11 8.766 6.370 -1.973 1.00 12.00 C ATOM 164 O THR A 11 7.735 6.518 -2.629 1.00 53.43 O ATOM 165 CB THR A 11 8.392 7.277 0.366 1.00 44.43 C ATOM 166 OG1 THR A 11 8.668 8.370 1.256 1.00 63.02 O ATOM 167 CG2 THR A 11 8.700 5.946 1.084 1.00 52.22 C ATOM 0 H THR A 11 8.045 9.169 -1.411 1.00 71.44 H new ATOM 0 HA THR A 11 10.263 7.349 -0.739 1.00 3.11 H new ATOM 0 HB THR A 11 7.337 7.265 0.092 1.00 44.43 H new ATOM 0 HG1 THR A 11 8.434 9.215 0.819 1.00 63.02 H new ATOM 0 HG21 THR A 11 8.111 5.881 1.999 1.00 52.22 H new ATOM 0 HG22 THR A 11 8.447 5.112 0.429 1.00 52.22 H new ATOM 0 HG23 THR A 11 9.761 5.903 1.332 1.00 52.22 H new ATOM 175 N SER A 12 9.524 5.259 -2.065 1.00 33.04 N ATOM 176 CA SER A 12 9.308 4.238 -3.116 1.00 64.31 C ATOM 177 C SER A 12 9.182 2.812 -2.545 1.00 63.21 C ATOM 178 O SER A 12 10.055 2.340 -1.805 1.00 40.21 O ATOM 179 CB SER A 12 10.458 4.297 -4.146 1.00 30.11 C ATOM 180 OG SER A 12 11.709 3.919 -3.590 1.00 20.44 O ATOM 0 H SER A 12 10.290 5.044 -1.427 1.00 33.04 H new ATOM 0 HA SER A 12 8.360 4.470 -3.601 1.00 64.31 H new ATOM 0 HB2 SER A 12 10.224 3.641 -4.984 1.00 30.11 H new ATOM 0 HB3 SER A 12 10.532 5.309 -4.544 1.00 30.11 H new ATOM 0 HG SER A 12 11.565 3.262 -2.878 1.00 20.44 H new ATOM 186 N HIS A 13 8.069 2.142 -2.897 1.00 2.53 N ATOM 187 CA HIS A 13 7.845 0.706 -2.605 1.00 14.33 C ATOM 188 C HIS A 13 8.520 -0.139 -3.709 1.00 45.41 C ATOM 189 O HIS A 13 9.138 -1.171 -3.441 1.00 72.24 O ATOM 190 CB HIS A 13 6.322 0.398 -2.543 1.00 41.14 C ATOM 191 CG HIS A 13 5.524 1.286 -1.616 1.00 31.40 C ATOM 192 ND1 HIS A 13 4.159 1.214 -1.579 1.00 53.33 N ATOM 193 CD2 HIS A 13 5.934 2.235 -0.729 1.00 43.44 C ATOM 194 CE1 HIS A 13 3.777 2.103 -0.686 1.00 31.44 C ATOM 195 NE2 HIS A 13 4.811 2.739 -0.146 1.00 20.53 N ATOM 0 H HIS A 13 7.294 2.580 -3.394 1.00 2.53 H new ATOM 0 HA HIS A 13 8.280 0.457 -1.637 1.00 14.33 H new ATOM 0 HB2 HIS A 13 5.909 0.484 -3.548 1.00 41.14 H new ATOM 0 HB3 HIS A 13 6.189 -0.638 -2.232 1.00 41.14 H new ATOM 0 HD2 HIS A 13 6.953 2.531 -0.527 1.00 43.44 H new ATOM 0 HE1 HIS A 13 2.747 2.293 -0.424 1.00 31.44 H new ATOM 0 HE2 HIS A 13 4.771 3.466 0.569 1.00 20.53 H new ATOM 203 N MET A 14 8.370 0.336 -4.963 1.00 10.14 N ATOM 204 CA MET A 14 9.066 -0.209 -6.152 1.00 21.44 C ATOM 205 C MET A 14 10.258 0.711 -6.520 1.00 65.34 C ATOM 206 O MET A 14 10.220 1.909 -6.238 1.00 42.35 O ATOM 207 CB MET A 14 8.071 -0.329 -7.342 1.00 5.41 C ATOM 208 CG MET A 14 6.871 -1.250 -7.064 1.00 0.15 C ATOM 209 SD MET A 14 7.388 -2.924 -6.608 1.00 20.52 S ATOM 210 CE MET A 14 5.816 -3.717 -6.255 1.00 54.13 C ATOM 0 H MET A 14 7.755 1.119 -5.183 1.00 10.14 H new ATOM 0 HA MET A 14 9.449 -1.204 -5.927 1.00 21.44 H new ATOM 0 HB2 MET A 14 7.702 0.665 -7.595 1.00 5.41 H new ATOM 0 HB3 MET A 14 8.607 -0.702 -8.215 1.00 5.41 H new ATOM 0 HG2 MET A 14 6.268 -0.826 -6.261 1.00 0.15 H new ATOM 0 HG3 MET A 14 6.237 -1.296 -7.949 1.00 0.15 H new ATOM 0 HE1 MET A 14 5.989 -4.753 -5.962 1.00 54.13 H new ATOM 0 HE2 MET A 14 5.316 -3.189 -5.443 1.00 54.13 H new ATOM 0 HE3 MET A 14 5.188 -3.692 -7.145 1.00 54.13 H new ATOM 220 N LYS A 15 11.301 0.156 -7.165 1.00 64.22 N ATOM 221 CA LYS A 15 12.548 0.911 -7.483 1.00 73.21 C ATOM 222 C LYS A 15 12.314 2.096 -8.462 1.00 41.34 C ATOM 223 O LYS A 15 12.933 3.157 -8.318 1.00 43.30 O ATOM 224 CB LYS A 15 13.646 -0.050 -8.013 1.00 43.43 C ATOM 225 CG LYS A 15 13.252 -0.915 -9.236 1.00 44.41 C ATOM 226 CD LYS A 15 14.408 -1.842 -9.697 1.00 3.01 C ATOM 227 CE LYS A 15 14.854 -2.828 -8.595 1.00 72.44 C ATOM 228 NZ LYS A 15 16.015 -3.656 -9.003 1.00 73.25 N ATOM 0 H LYS A 15 11.314 -0.814 -7.481 1.00 64.22 H new ATOM 0 HA LYS A 15 12.891 1.358 -6.550 1.00 73.21 H new ATOM 0 HB2 LYS A 15 14.523 0.541 -8.277 1.00 43.43 H new ATOM 0 HB3 LYS A 15 13.943 -0.715 -7.202 1.00 43.43 H new ATOM 0 HG2 LYS A 15 12.381 -1.521 -8.985 1.00 44.41 H new ATOM 0 HG3 LYS A 15 12.960 -0.264 -10.060 1.00 44.41 H new ATOM 0 HD2 LYS A 15 14.090 -2.404 -10.575 1.00 3.01 H new ATOM 0 HD3 LYS A 15 15.259 -1.232 -10.000 1.00 3.01 H new ATOM 0 HE2 LYS A 15 15.110 -2.269 -7.695 1.00 72.44 H new ATOM 0 HE3 LYS A 15 14.020 -3.481 -8.338 1.00 72.44 H new ATOM 0 HZ1 LYS A 15 16.272 -4.299 -8.227 1.00 73.25 H new ATOM 0 HZ2 LYS A 15 15.766 -4.212 -9.846 1.00 73.25 H new ATOM 0 HZ3 LYS A 15 16.822 -3.038 -9.222 1.00 73.25 H new ATOM 242 N GLY A 16 11.388 1.912 -9.422 1.00 54.24 N ATOM 243 CA GLY A 16 11.039 2.961 -10.400 1.00 52.15 C ATOM 244 C GLY A 16 9.994 3.962 -9.905 1.00 3.11 C ATOM 245 O GLY A 16 9.656 4.911 -10.619 1.00 63.42 O ATOM 0 H GLY A 16 10.866 1.044 -9.542 1.00 54.24 H new ATOM 0 HA2 GLY A 16 11.945 3.504 -10.672 1.00 52.15 H new ATOM 0 HA3 GLY A 16 10.668 2.486 -11.308 1.00 52.15 H new ATOM 249 N MET A 17 9.502 3.763 -8.672 1.00 12.44 N ATOM 250 CA MET A 17 8.505 4.658 -8.050 1.00 54.40 C ATOM 251 C MET A 17 9.185 5.974 -7.591 1.00 62.22 C ATOM 252 O MET A 17 8.570 7.042 -7.602 1.00 43.32 O ATOM 253 CB MET A 17 7.821 3.930 -6.862 1.00 50.30 C ATOM 254 CG MET A 17 6.708 4.720 -6.160 1.00 5.35 C ATOM 255 SD MET A 17 6.014 3.851 -4.738 1.00 2.12 S ATOM 256 CE MET A 17 5.306 2.402 -5.513 1.00 32.25 C ATOM 0 H MET A 17 9.780 2.982 -8.078 1.00 12.44 H new ATOM 0 HA MET A 17 7.738 4.916 -8.780 1.00 54.40 H new ATOM 0 HB2 MET A 17 7.403 2.991 -7.225 1.00 50.30 H new ATOM 0 HB3 MET A 17 8.583 3.676 -6.126 1.00 50.30 H new ATOM 0 HG2 MET A 17 7.103 5.682 -5.833 1.00 5.35 H new ATOM 0 HG3 MET A 17 5.912 4.929 -6.875 1.00 5.35 H new ATOM 0 HE1 MET A 17 4.796 1.800 -4.761 1.00 32.25 H new ATOM 0 HE2 MET A 17 4.592 2.710 -6.277 1.00 32.25 H new ATOM 0 HE3 MET A 17 6.098 1.812 -5.974 1.00 32.25 H new ATOM 266 N LYS A 18 10.482 5.872 -7.230 1.00 33.44 N ATOM 267 CA LYS A 18 11.311 7.018 -6.803 1.00 13.42 C ATOM 268 C LYS A 18 11.483 8.063 -7.943 1.00 35.32 C ATOM 269 O LYS A 18 12.008 7.744 -9.016 1.00 74.45 O ATOM 270 CB LYS A 18 12.698 6.491 -6.343 1.00 40.45 C ATOM 271 CG LYS A 18 13.710 7.577 -5.907 1.00 70.25 C ATOM 272 CD LYS A 18 15.100 7.010 -5.497 1.00 51.30 C ATOM 273 CE LYS A 18 15.884 6.335 -6.656 1.00 25.45 C ATOM 274 NZ LYS A 18 15.399 4.965 -6.992 1.00 52.02 N ATOM 0 H LYS A 18 10.986 4.985 -7.227 1.00 33.44 H new ATOM 0 HA LYS A 18 10.808 7.522 -5.978 1.00 13.42 H new ATOM 0 HB2 LYS A 18 12.548 5.803 -5.511 1.00 40.45 H new ATOM 0 HB3 LYS A 18 13.137 5.915 -7.158 1.00 40.45 H new ATOM 0 HG2 LYS A 18 13.844 8.285 -6.725 1.00 70.25 H new ATOM 0 HG3 LYS A 18 13.293 8.134 -5.068 1.00 70.25 H new ATOM 0 HD2 LYS A 18 15.704 7.821 -5.090 1.00 51.30 H new ATOM 0 HD3 LYS A 18 14.961 6.283 -4.697 1.00 51.30 H new ATOM 0 HE2 LYS A 18 15.814 6.963 -7.544 1.00 25.45 H new ATOM 0 HE3 LYS A 18 16.939 6.281 -6.386 1.00 25.45 H new ATOM 0 HZ1 LYS A 18 16.208 4.313 -7.042 1.00 52.02 H new ATOM 0 HZ2 LYS A 18 14.738 4.641 -6.258 1.00 52.02 H new ATOM 0 HZ3 LYS A 18 14.913 4.985 -7.911 1.00 52.02 H new ATOM 288 N GLY A 19 11.014 9.300 -7.692 1.00 33.11 N ATOM 289 CA GLY A 19 11.155 10.418 -8.647 1.00 14.01 C ATOM 290 C GLY A 19 10.168 10.383 -9.827 1.00 41.01 C ATOM 291 O GLY A 19 10.229 11.243 -10.716 1.00 51.35 O ATOM 0 H GLY A 19 10.531 9.552 -6.830 1.00 33.11 H new ATOM 0 HA2 GLY A 19 11.024 11.357 -8.109 1.00 14.01 H new ATOM 0 HA3 GLY A 19 12.171 10.416 -9.041 1.00 14.01 H new ATOM 295 N ALA A 20 9.266 9.386 -9.843 1.00 63.23 N ATOM 296 CA ALA A 20 8.292 9.192 -10.939 1.00 54.51 C ATOM 297 C ALA A 20 7.134 10.210 -10.868 1.00 5.34 C ATOM 298 O ALA A 20 6.749 10.642 -9.778 1.00 55.44 O ATOM 299 CB ALA A 20 7.744 7.761 -10.891 1.00 50.32 C ATOM 0 H ALA A 20 9.189 8.692 -9.100 1.00 63.23 H new ATOM 0 HA ALA A 20 8.810 9.357 -11.884 1.00 54.51 H new ATOM 0 HB1 ALA A 20 7.026 7.619 -11.699 1.00 50.32 H new ATOM 0 HB2 ALA A 20 8.565 7.053 -11.006 1.00 50.32 H new ATOM 0 HB3 ALA A 20 7.251 7.592 -9.934 1.00 50.32 H new ATOM 305 N GLU A 21 6.577 10.582 -12.038 1.00 14.55 N ATOM 306 CA GLU A 21 5.391 11.459 -12.100 1.00 63.00 C ATOM 307 C GLU A 21 4.108 10.609 -11.958 1.00 2.01 C ATOM 308 O GLU A 21 3.690 9.934 -12.911 1.00 2.23 O ATOM 309 CB GLU A 21 5.334 12.282 -13.418 1.00 12.32 C ATOM 310 CG GLU A 21 4.188 13.329 -13.447 1.00 54.00 C ATOM 311 CD GLU A 21 3.913 13.898 -14.846 1.00 65.14 C ATOM 312 OE1 GLU A 21 4.537 14.912 -15.229 1.00 12.32 O ATOM 313 OE2 GLU A 21 3.072 13.330 -15.575 1.00 11.01 O ATOM 0 H GLU A 21 6.928 10.290 -12.950 1.00 14.55 H new ATOM 0 HA GLU A 21 5.464 12.169 -11.276 1.00 63.00 H new ATOM 0 HB2 GLU A 21 6.286 12.794 -13.559 1.00 12.32 H new ATOM 0 HB3 GLU A 21 5.212 11.599 -14.258 1.00 12.32 H new ATOM 0 HG2 GLU A 21 3.277 12.869 -13.065 1.00 54.00 H new ATOM 0 HG3 GLU A 21 4.438 14.148 -12.773 1.00 54.00 H new ATOM 320 N ALA A 22 3.511 10.629 -10.759 1.00 5.12 N ATOM 321 CA ALA A 22 2.250 9.931 -10.467 1.00 35.43 C ATOM 322 C ALA A 22 1.031 10.784 -10.850 1.00 53.21 C ATOM 323 O ALA A 22 1.053 12.012 -10.758 1.00 14.31 O ATOM 324 CB ALA A 22 2.189 9.563 -8.978 1.00 24.05 C ATOM 0 H ALA A 22 3.891 11.133 -9.958 1.00 5.12 H new ATOM 0 HA ALA A 22 2.222 9.022 -11.068 1.00 35.43 H new ATOM 0 HB1 ALA A 22 1.252 9.046 -8.769 1.00 24.05 H new ATOM 0 HB2 ALA A 22 3.026 8.911 -8.730 1.00 24.05 H new ATOM 0 HB3 ALA A 22 2.245 10.470 -8.376 1.00 24.05 H new ATOM 330 N THR A 23 -0.031 10.104 -11.277 1.00 41.52 N ATOM 331 CA THR A 23 -1.326 10.718 -11.598 1.00 72.43 C ATOM 332 C THR A 23 -2.384 10.110 -10.671 1.00 70.33 C ATOM 333 O THR A 23 -2.628 8.900 -10.721 1.00 23.30 O ATOM 334 CB THR A 23 -1.714 10.478 -13.100 1.00 21.15 C ATOM 335 OG1 THR A 23 -0.702 11.035 -13.963 1.00 35.54 O ATOM 336 CG2 THR A 23 -3.082 11.093 -13.456 1.00 34.14 C ATOM 0 H THR A 23 -0.020 9.093 -11.413 1.00 41.52 H new ATOM 0 HA THR A 23 -1.264 11.796 -11.449 1.00 72.43 H new ATOM 0 HB THR A 23 -1.785 9.400 -13.246 1.00 21.15 H new ATOM 0 HG1 THR A 23 -0.949 10.881 -14.899 1.00 35.54 H new ATOM 0 HG21 THR A 23 -3.306 10.900 -14.505 1.00 34.14 H new ATOM 0 HG22 THR A 23 -3.856 10.645 -12.832 1.00 34.14 H new ATOM 0 HG23 THR A 23 -3.053 12.169 -13.283 1.00 34.14 H new ATOM 344 N VAL A 24 -2.991 10.942 -9.813 1.00 34.03 N ATOM 345 CA VAL A 24 -3.987 10.479 -8.827 1.00 33.23 C ATOM 346 C VAL A 24 -5.272 10.020 -9.562 1.00 2.05 C ATOM 347 O VAL A 24 -6.069 10.836 -10.010 1.00 3.50 O ATOM 348 CB VAL A 24 -4.314 11.594 -7.761 1.00 13.54 C ATOM 349 CG1 VAL A 24 -5.368 11.102 -6.731 1.00 34.03 C ATOM 350 CG2 VAL A 24 -3.022 12.082 -7.048 1.00 71.40 C ATOM 0 H VAL A 24 -2.810 11.945 -9.780 1.00 34.03 H new ATOM 0 HA VAL A 24 -3.565 9.634 -8.283 1.00 33.23 H new ATOM 0 HB VAL A 24 -4.744 12.442 -8.293 1.00 13.54 H new ATOM 0 HG11 VAL A 24 -5.570 11.895 -6.011 1.00 34.03 H new ATOM 0 HG12 VAL A 24 -6.290 10.840 -7.251 1.00 34.03 H new ATOM 0 HG13 VAL A 24 -4.984 10.226 -6.208 1.00 34.03 H new ATOM 0 HG21 VAL A 24 -3.277 12.851 -6.318 1.00 71.40 H new ATOM 0 HG22 VAL A 24 -2.548 11.242 -6.540 1.00 71.40 H new ATOM 0 HG23 VAL A 24 -2.334 12.496 -7.785 1.00 71.40 H new ATOM 360 N THR A 25 -5.429 8.700 -9.731 1.00 3.34 N ATOM 361 CA THR A 25 -6.606 8.102 -10.415 1.00 42.44 C ATOM 362 C THR A 25 -7.721 7.761 -9.399 1.00 1.25 C ATOM 363 O THR A 25 -8.839 7.408 -9.787 1.00 32.31 O ATOM 364 CB THR A 25 -6.218 6.813 -11.221 1.00 34.13 C ATOM 365 OG1 THR A 25 -5.767 5.770 -10.337 1.00 13.33 O ATOM 366 CG2 THR A 25 -5.121 7.098 -12.259 1.00 41.33 C ATOM 0 H THR A 25 -4.752 8.011 -9.403 1.00 3.34 H new ATOM 0 HA THR A 25 -6.977 8.848 -11.118 1.00 42.44 H new ATOM 0 HB THR A 25 -7.118 6.487 -11.743 1.00 34.13 H new ATOM 0 HG1 THR A 25 -5.362 6.170 -9.539 1.00 13.33 H new ATOM 0 HG21 THR A 25 -4.881 6.180 -12.796 1.00 41.33 H new ATOM 0 HG22 THR A 25 -5.475 7.849 -12.965 1.00 41.33 H new ATOM 0 HG23 THR A 25 -4.229 7.467 -11.753 1.00 41.33 H new ATOM 374 N GLY A 26 -7.393 7.867 -8.094 1.00 31.43 N ATOM 375 CA GLY A 26 -8.359 7.666 -7.016 1.00 2.10 C ATOM 376 C GLY A 26 -7.857 8.239 -5.687 1.00 23.03 C ATOM 377 O GLY A 26 -6.687 8.057 -5.338 1.00 3.14 O ATOM 0 H GLY A 26 -6.453 8.094 -7.769 1.00 31.43 H new ATOM 0 HA2 GLY A 26 -9.304 8.140 -7.282 1.00 2.10 H new ATOM 0 HA3 GLY A 26 -8.558 6.601 -6.900 1.00 2.10 H new ATOM 381 N ALA A 27 -8.750 8.917 -4.945 1.00 65.24 N ATOM 382 CA ALA A 27 -8.448 9.499 -3.617 1.00 11.13 C ATOM 383 C ALA A 27 -9.351 8.832 -2.548 1.00 64.51 C ATOM 384 O ALA A 27 -10.557 9.082 -2.497 1.00 2.34 O ATOM 385 CB ALA A 27 -8.651 11.028 -3.648 1.00 40.13 C ATOM 0 H ALA A 27 -9.710 9.080 -5.249 1.00 65.24 H new ATOM 0 HA ALA A 27 -7.406 9.308 -3.359 1.00 11.13 H new ATOM 0 HB1 ALA A 27 -8.426 11.445 -2.666 1.00 40.13 H new ATOM 0 HB2 ALA A 27 -7.985 11.468 -4.390 1.00 40.13 H new ATOM 0 HB3 ALA A 27 -9.685 11.253 -3.909 1.00 40.13 H new ATOM 391 N TYR A 28 -8.749 7.965 -1.716 1.00 22.00 N ATOM 392 CA TYR A 28 -9.477 7.121 -0.733 1.00 3.42 C ATOM 393 C TYR A 28 -9.139 7.562 0.704 1.00 2.32 C ATOM 394 O TYR A 28 -7.972 7.656 1.047 1.00 62.14 O ATOM 395 CB TYR A 28 -9.071 5.626 -0.915 1.00 71.34 C ATOM 396 CG TYR A 28 -9.388 5.014 -2.294 1.00 41.25 C ATOM 397 CD1 TYR A 28 -8.678 5.396 -3.438 1.00 35.04 C ATOM 398 CD2 TYR A 28 -10.387 4.046 -2.450 1.00 72.04 C ATOM 399 CE1 TYR A 28 -8.957 4.844 -4.675 1.00 11.14 C ATOM 400 CE2 TYR A 28 -10.664 3.493 -3.687 1.00 45.50 C ATOM 401 CZ TYR A 28 -9.946 3.895 -4.794 1.00 13.52 C ATOM 402 OH TYR A 28 -10.223 3.347 -6.031 1.00 63.22 O ATOM 0 H TYR A 28 -7.739 7.824 -1.701 1.00 22.00 H new ATOM 0 HA TYR A 28 -10.547 7.236 -0.904 1.00 3.42 H new ATOM 0 HB2 TYR A 28 -8.000 5.534 -0.734 1.00 71.34 H new ATOM 0 HB3 TYR A 28 -9.575 5.035 -0.150 1.00 71.34 H new ATOM 0 HD1 TYR A 28 -7.897 6.137 -3.353 1.00 35.04 H new ATOM 0 HD2 TYR A 28 -10.952 3.725 -1.588 1.00 72.04 H new ATOM 0 HE1 TYR A 28 -8.400 5.157 -5.546 1.00 11.14 H new ATOM 0 HE2 TYR A 28 -11.440 2.749 -3.786 1.00 45.50 H new ATOM 0 HH TYR A 28 -10.947 2.692 -5.944 1.00 63.22 H new ATOM 412 N ASP A 29 -10.152 7.821 1.546 1.00 0.42 N ATOM 413 CA ASP A 29 -9.937 8.119 2.982 1.00 52.24 C ATOM 414 C ASP A 29 -10.551 6.990 3.837 1.00 43.45 C ATOM 415 O ASP A 29 -11.756 6.982 4.121 1.00 12.32 O ATOM 416 CB ASP A 29 -10.528 9.500 3.350 1.00 54.45 C ATOM 417 CG ASP A 29 -10.137 9.944 4.772 1.00 60.42 C ATOM 418 OD1 ASP A 29 -9.027 10.494 4.950 1.00 42.53 O ATOM 419 OD2 ASP A 29 -10.917 9.719 5.722 1.00 12.35 O ATOM 0 H ASP A 29 -11.132 7.831 1.262 1.00 0.42 H new ATOM 0 HA ASP A 29 -8.867 8.165 3.187 1.00 52.24 H new ATOM 0 HB2 ASP A 29 -10.182 10.244 2.632 1.00 54.45 H new ATOM 0 HB3 ASP A 29 -11.614 9.461 3.270 1.00 54.45 H new ATOM 424 N THR A 30 -9.711 6.003 4.178 1.00 22.14 N ATOM 425 CA THR A 30 -10.123 4.787 4.922 1.00 11.31 C ATOM 426 C THR A 30 -9.093 4.423 6.025 1.00 5.44 C ATOM 427 O THR A 30 -8.093 5.130 6.214 1.00 10.34 O ATOM 428 CB THR A 30 -10.315 3.598 3.912 1.00 34.33 C ATOM 429 OG1 THR A 30 -10.706 2.390 4.593 1.00 5.34 O ATOM 430 CG2 THR A 30 -9.046 3.341 3.079 1.00 41.20 C ATOM 0 H THR A 30 -8.718 6.019 3.947 1.00 22.14 H new ATOM 0 HA THR A 30 -11.070 4.985 5.423 1.00 11.31 H new ATOM 0 HB THR A 30 -11.114 3.893 3.232 1.00 34.33 H new ATOM 0 HG1 THR A 30 -10.820 1.668 3.940 1.00 5.34 H new ATOM 0 HG21 THR A 30 -9.222 2.511 2.394 1.00 41.20 H new ATOM 0 HG22 THR A 30 -8.798 4.236 2.509 1.00 41.20 H new ATOM 0 HG23 THR A 30 -8.218 3.093 3.744 1.00 41.20 H new ATOM 438 N THR A 31 -9.356 3.325 6.765 1.00 75.43 N ATOM 439 CA THR A 31 -8.406 2.778 7.763 1.00 42.35 C ATOM 440 C THR A 31 -7.251 2.030 7.052 1.00 33.02 C ATOM 441 O THR A 31 -7.488 1.029 6.385 1.00 12.41 O ATOM 442 CB THR A 31 -9.108 1.781 8.758 1.00 43.41 C ATOM 443 OG1 THR A 31 -10.378 2.304 9.169 1.00 30.21 O ATOM 444 CG2 THR A 31 -8.253 1.518 10.018 1.00 4.42 C ATOM 0 H THR A 31 -10.224 2.795 6.690 1.00 75.43 H new ATOM 0 HA THR A 31 -8.019 3.625 8.330 1.00 42.35 H new ATOM 0 HB THR A 31 -9.237 0.840 8.224 1.00 43.41 H new ATOM 0 HG1 THR A 31 -10.807 1.675 9.786 1.00 30.21 H new ATOM 0 HG21 THR A 31 -8.777 0.825 10.675 1.00 4.42 H new ATOM 0 HG22 THR A 31 -7.296 1.087 9.725 1.00 4.42 H new ATOM 0 HG23 THR A 31 -8.082 2.457 10.544 1.00 4.42 H new ATOM 452 N ALA A 32 -6.013 2.513 7.206 1.00 4.42 N ATOM 453 CA ALA A 32 -4.812 1.873 6.629 1.00 43.25 C ATOM 454 C ALA A 32 -4.065 1.067 7.713 1.00 43.44 C ATOM 455 O ALA A 32 -4.121 1.398 8.901 1.00 44.42 O ATOM 456 CB ALA A 32 -3.895 2.929 6.000 1.00 24.13 C ATOM 0 H ALA A 32 -5.809 3.361 7.735 1.00 4.42 H new ATOM 0 HA ALA A 32 -5.122 1.183 5.844 1.00 43.25 H new ATOM 0 HB1 ALA A 32 -3.015 2.443 5.579 1.00 24.13 H new ATOM 0 HB2 ALA A 32 -4.432 3.453 5.210 1.00 24.13 H new ATOM 0 HB3 ALA A 32 -3.585 3.643 6.763 1.00 24.13 H new ATOM 462 N TYR A 33 -3.367 -0.001 7.292 1.00 45.33 N ATOM 463 CA TYR A 33 -2.637 -0.909 8.207 1.00 34.33 C ATOM 464 C TYR A 33 -1.187 -1.146 7.727 1.00 43.42 C ATOM 465 O TYR A 33 -0.898 -1.157 6.523 1.00 34.23 O ATOM 466 CB TYR A 33 -3.373 -2.276 8.331 1.00 40.24 C ATOM 467 CG TYR A 33 -4.799 -2.182 8.902 1.00 10.03 C ATOM 468 CD1 TYR A 33 -5.016 -1.918 10.256 1.00 63.13 C ATOM 469 CD2 TYR A 33 -5.923 -2.356 8.089 1.00 21.42 C ATOM 470 CE1 TYR A 33 -6.296 -1.829 10.773 1.00 31.31 C ATOM 471 CE2 TYR A 33 -7.201 -2.271 8.607 1.00 73.32 C ATOM 472 CZ TYR A 33 -7.384 -2.008 9.944 1.00 24.42 C ATOM 473 OH TYR A 33 -8.664 -1.923 10.456 1.00 63.41 O ATOM 0 H TYR A 33 -3.290 -0.263 6.309 1.00 45.33 H new ATOM 0 HA TYR A 33 -2.606 -0.427 9.184 1.00 34.33 H new ATOM 0 HB2 TYR A 33 -3.419 -2.740 7.346 1.00 40.24 H new ATOM 0 HB3 TYR A 33 -2.783 -2.936 8.967 1.00 40.24 H new ATOM 0 HD1 TYR A 33 -4.169 -1.781 10.912 1.00 63.13 H new ATOM 0 HD2 TYR A 33 -5.790 -2.561 7.037 1.00 21.42 H new ATOM 0 HE1 TYR A 33 -6.443 -1.620 11.822 1.00 31.31 H new ATOM 0 HE2 TYR A 33 -8.056 -2.411 7.962 1.00 73.32 H new ATOM 0 HH TYR A 33 -9.314 -2.073 9.738 1.00 63.41 H new ATOM 483 N VAL A 34 -0.286 -1.303 8.699 1.00 61.35 N ATOM 484 CA VAL A 34 1.091 -1.784 8.489 1.00 44.11 C ATOM 485 C VAL A 34 1.170 -3.228 9.028 1.00 44.11 C ATOM 486 O VAL A 34 0.902 -3.445 10.212 1.00 40.12 O ATOM 487 CB VAL A 34 2.125 -0.863 9.243 1.00 62.10 C ATOM 488 CG1 VAL A 34 3.578 -1.347 9.036 1.00 62.44 C ATOM 489 CG2 VAL A 34 1.964 0.615 8.811 1.00 24.40 C ATOM 0 H VAL A 34 -0.493 -1.096 9.676 1.00 61.35 H new ATOM 0 HA VAL A 34 1.340 -1.757 7.428 1.00 44.11 H new ATOM 0 HB VAL A 34 1.909 -0.932 10.309 1.00 62.10 H new ATOM 0 HG11 VAL A 34 4.261 -0.687 9.571 1.00 62.44 H new ATOM 0 HG12 VAL A 34 3.681 -2.363 9.418 1.00 62.44 H new ATOM 0 HG13 VAL A 34 3.818 -1.333 7.973 1.00 62.44 H new ATOM 0 HG21 VAL A 34 2.688 1.231 9.345 1.00 24.40 H new ATOM 0 HG22 VAL A 34 2.135 0.701 7.738 1.00 24.40 H new ATOM 0 HG23 VAL A 34 0.955 0.955 9.046 1.00 24.40 H new ATOM 499 N VAL A 35 1.485 -4.216 8.162 1.00 43.03 N ATOM 500 CA VAL A 35 1.491 -5.655 8.557 1.00 74.11 C ATOM 501 C VAL A 35 2.859 -6.335 8.286 1.00 52.11 C ATOM 502 O VAL A 35 3.525 -6.037 7.301 1.00 40.32 O ATOM 503 CB VAL A 35 0.341 -6.455 7.818 1.00 1.22 C ATOM 504 CG1 VAL A 35 -1.062 -5.981 8.278 1.00 72.24 C ATOM 505 CG2 VAL A 35 0.474 -6.348 6.273 1.00 74.53 C ATOM 0 H VAL A 35 1.738 -4.052 7.188 1.00 43.03 H new ATOM 0 HA VAL A 35 1.311 -5.680 9.632 1.00 74.11 H new ATOM 0 HB VAL A 35 0.452 -7.504 8.093 1.00 1.22 H new ATOM 0 HG11 VAL A 35 -1.829 -6.550 7.752 1.00 72.24 H new ATOM 0 HG12 VAL A 35 -1.165 -6.139 9.352 1.00 72.24 H new ATOM 0 HG13 VAL A 35 -1.179 -4.921 8.054 1.00 72.24 H new ATOM 0 HG21 VAL A 35 -0.331 -6.909 5.799 1.00 74.53 H new ATOM 0 HG22 VAL A 35 0.413 -5.302 5.974 1.00 74.53 H new ATOM 0 HG23 VAL A 35 1.434 -6.759 5.961 1.00 74.53 H new ATOM 515 N SER A 36 3.250 -7.271 9.173 1.00 65.21 N ATOM 516 CA SER A 36 4.467 -8.112 9.005 1.00 61.42 C ATOM 517 C SER A 36 4.075 -9.588 8.826 1.00 74.21 C ATOM 518 O SER A 36 3.280 -10.116 9.600 1.00 33.42 O ATOM 519 CB SER A 36 5.422 -7.963 10.216 1.00 14.34 C ATOM 520 OG SER A 36 6.012 -6.683 10.253 1.00 74.43 O ATOM 0 H SER A 36 2.734 -7.471 10.030 1.00 65.21 H new ATOM 0 HA SER A 36 4.990 -7.769 8.112 1.00 61.42 H new ATOM 0 HB2 SER A 36 4.870 -8.138 11.140 1.00 14.34 H new ATOM 0 HB3 SER A 36 6.202 -8.723 10.162 1.00 14.34 H new ATOM 0 HG SER A 36 5.322 -6.010 10.430 1.00 74.43 H new ATOM 526 N TYR A 37 4.667 -10.252 7.818 1.00 54.13 N ATOM 527 CA TYR A 37 4.304 -11.635 7.439 1.00 25.14 C ATOM 528 C TYR A 37 5.418 -12.298 6.619 1.00 64.44 C ATOM 529 O TYR A 37 6.269 -11.622 6.030 1.00 34.12 O ATOM 530 CB TYR A 37 2.948 -11.687 6.665 1.00 40.21 C ATOM 531 CG TYR A 37 2.889 -10.898 5.343 1.00 12.32 C ATOM 532 CD1 TYR A 37 2.600 -9.529 5.332 1.00 21.23 C ATOM 533 CD2 TYR A 37 3.108 -11.522 4.107 1.00 11.43 C ATOM 534 CE1 TYR A 37 2.534 -8.819 4.151 1.00 40.40 C ATOM 535 CE2 TYR A 37 3.043 -10.811 2.926 1.00 51.40 C ATOM 536 CZ TYR A 37 2.756 -9.459 2.951 1.00 53.53 C ATOM 537 OH TYR A 37 2.696 -8.744 1.774 1.00 23.11 O ATOM 0 H TYR A 37 5.408 -9.850 7.243 1.00 54.13 H new ATOM 0 HA TYR A 37 4.180 -12.197 8.365 1.00 25.14 H new ATOM 0 HB2 TYR A 37 2.715 -12.730 6.452 1.00 40.21 H new ATOM 0 HB3 TYR A 37 2.163 -11.313 7.323 1.00 40.21 H new ATOM 0 HD1 TYR A 37 2.425 -9.018 6.267 1.00 21.23 H new ATOM 0 HD2 TYR A 37 3.332 -12.578 4.078 1.00 11.43 H new ATOM 0 HE1 TYR A 37 2.309 -7.763 4.167 1.00 40.40 H new ATOM 0 HE2 TYR A 37 3.216 -11.310 1.984 1.00 51.40 H new ATOM 0 HH TYR A 37 3.200 -7.910 1.872 1.00 23.11 H new ATOM 547 N THR A 38 5.385 -13.631 6.573 1.00 51.42 N ATOM 548 CA THR A 38 6.353 -14.434 5.809 1.00 45.41 C ATOM 549 C THR A 38 5.601 -15.145 4.657 1.00 23.31 C ATOM 550 O THR A 38 4.709 -15.956 4.930 1.00 34.21 O ATOM 551 CB THR A 38 7.078 -15.484 6.716 1.00 4.32 C ATOM 552 OG1 THR A 38 7.616 -14.823 7.875 1.00 61.31 O ATOM 553 CG2 THR A 38 8.218 -16.215 5.972 1.00 3.01 C ATOM 0 H THR A 38 4.687 -14.189 7.064 1.00 51.42 H new ATOM 0 HA THR A 38 7.122 -13.774 5.408 1.00 45.41 H new ATOM 0 HB THR A 38 6.340 -16.232 7.006 1.00 4.32 H new ATOM 0 HG1 THR A 38 8.069 -15.479 8.445 1.00 61.31 H new ATOM 0 HG21 THR A 38 8.689 -16.932 6.644 1.00 3.01 H new ATOM 0 HG22 THR A 38 7.811 -16.740 5.108 1.00 3.01 H new ATOM 0 HG23 THR A 38 8.959 -15.489 5.639 1.00 3.01 H new ATOM 561 N PRO A 39 5.906 -14.811 3.358 1.00 35.41 N ATOM 562 CA PRO A 39 5.246 -15.449 2.177 1.00 1.23 C ATOM 563 C PRO A 39 5.385 -17.005 2.166 1.00 33.14 C ATOM 564 O PRO A 39 6.499 -17.541 2.249 1.00 72.21 O ATOM 565 CB PRO A 39 5.948 -14.779 0.957 1.00 64.10 C ATOM 566 CG PRO A 39 7.200 -14.157 1.512 1.00 24.34 C ATOM 567 CD PRO A 39 6.882 -13.769 2.933 1.00 5.31 C ATOM 0 HA PRO A 39 4.167 -15.295 2.177 1.00 1.23 H new ATOM 0 HB2 PRO A 39 6.182 -15.513 0.186 1.00 64.10 H new ATOM 0 HB3 PRO A 39 5.306 -14.028 0.498 1.00 64.10 H new ATOM 0 HG2 PRO A 39 8.032 -14.860 1.477 1.00 24.34 H new ATOM 0 HG3 PRO A 39 7.494 -13.286 0.927 1.00 24.34 H new ATOM 0 HD2 PRO A 39 7.773 -13.772 3.561 1.00 5.31 H new ATOM 0 HD3 PRO A 39 6.454 -12.768 2.991 1.00 5.31 H new ATOM 575 N THR A 40 4.231 -17.704 2.036 1.00 20.41 N ATOM 576 CA THR A 40 4.114 -19.184 2.212 1.00 44.10 C ATOM 577 C THR A 40 4.907 -20.006 1.159 1.00 51.23 C ATOM 578 O THR A 40 5.170 -21.196 1.365 1.00 32.21 O ATOM 579 CB THR A 40 2.615 -19.642 2.176 1.00 0.44 C ATOM 580 OG1 THR A 40 2.060 -19.386 0.874 1.00 30.22 O ATOM 581 CG2 THR A 40 1.761 -18.916 3.235 1.00 20.43 C ATOM 0 H THR A 40 3.344 -17.258 1.804 1.00 20.41 H new ATOM 0 HA THR A 40 4.553 -19.385 3.189 1.00 44.10 H new ATOM 0 HB THR A 40 2.596 -20.709 2.398 1.00 0.44 H new ATOM 0 HG1 THR A 40 1.124 -19.675 0.855 1.00 30.22 H new ATOM 0 HG21 THR A 40 0.730 -19.265 3.173 1.00 20.43 H new ATOM 0 HG22 THR A 40 2.156 -19.127 4.229 1.00 20.43 H new ATOM 0 HG23 THR A 40 1.792 -17.842 3.053 1.00 20.43 H new ATOM 589 N ASN A 41 5.290 -19.362 0.039 1.00 25.05 N ATOM 590 CA ASN A 41 6.116 -19.997 -1.027 1.00 74.53 C ATOM 591 C ASN A 41 7.640 -19.960 -0.697 1.00 25.30 C ATOM 592 O ASN A 41 8.473 -20.288 -1.550 1.00 22.14 O ATOM 593 CB ASN A 41 5.811 -19.325 -2.398 1.00 61.23 C ATOM 594 CG ASN A 41 4.413 -19.668 -2.926 1.00 32.35 C ATOM 595 OD1 ASN A 41 4.242 -20.571 -3.739 1.00 42.21 O ATOM 596 ND2 ASN A 41 3.400 -18.983 -2.439 1.00 30.43 N ATOM 0 H ASN A 41 5.041 -18.393 -0.159 1.00 25.05 H new ATOM 0 HA ASN A 41 5.844 -21.051 -1.082 1.00 74.53 H new ATOM 0 HB2 ASN A 41 5.901 -18.244 -2.296 1.00 61.23 H new ATOM 0 HB3 ASN A 41 6.558 -19.640 -3.127 1.00 61.23 H new ATOM 0 HD21 ASN A 41 2.448 -19.199 -2.737 1.00 30.43 H new ATOM 0 HD22 ASN A 41 3.567 -18.237 -1.764 1.00 30.43 H new ATOM 603 N GLY A 42 7.986 -19.594 0.558 1.00 14.44 N ATOM 604 CA GLY A 42 9.374 -19.628 1.042 1.00 64.33 C ATOM 605 C GLY A 42 10.208 -18.441 0.568 1.00 71.21 C ATOM 606 O GLY A 42 11.304 -18.615 0.025 1.00 55.13 O ATOM 0 H GLY A 42 7.314 -19.271 1.254 1.00 14.44 H new ATOM 0 HA2 GLY A 42 9.371 -19.649 2.132 1.00 64.33 H new ATOM 0 HA3 GLY A 42 9.846 -20.552 0.707 1.00 64.33 H new ATOM 610 N GLY A 43 9.679 -17.226 0.777 1.00 54.44 N ATOM 611 CA GLY A 43 10.362 -15.984 0.375 1.00 63.54 C ATOM 612 C GLY A 43 11.015 -15.251 1.550 1.00 2.41 C ATOM 613 O GLY A 43 11.094 -15.784 2.662 1.00 22.45 O ATOM 0 H GLY A 43 8.775 -17.075 1.225 1.00 54.44 H new ATOM 0 HA2 GLY A 43 11.124 -16.220 -0.368 1.00 63.54 H new ATOM 0 HA3 GLY A 43 9.643 -15.320 -0.106 1.00 63.54 H new ATOM 617 N GLN A 44 11.504 -14.028 1.291 1.00 15.21 N ATOM 618 CA GLN A 44 12.064 -13.147 2.344 1.00 11.01 C ATOM 619 C GLN A 44 10.883 -12.532 3.136 1.00 21.41 C ATOM 620 O GLN A 44 9.971 -11.948 2.531 1.00 4.12 O ATOM 621 CB GLN A 44 12.972 -12.038 1.706 1.00 62.43 C ATOM 622 CG GLN A 44 14.074 -11.423 2.619 1.00 14.11 C ATOM 623 CD GLN A 44 13.571 -10.746 3.900 1.00 3.55 C ATOM 624 OE1 GLN A 44 13.489 -11.366 4.956 1.00 53.31 O ATOM 625 NE2 GLN A 44 13.184 -9.487 3.809 1.00 34.22 N ATOM 0 H GLN A 44 11.525 -13.619 0.357 1.00 15.21 H new ATOM 0 HA GLN A 44 12.694 -13.720 3.024 1.00 11.01 H new ATOM 0 HB2 GLN A 44 13.457 -12.460 0.826 1.00 62.43 H new ATOM 0 HB3 GLN A 44 12.328 -11.230 1.359 1.00 62.43 H new ATOM 0 HG2 GLN A 44 14.773 -12.212 2.897 1.00 14.11 H new ATOM 0 HG3 GLN A 44 14.635 -10.691 2.038 1.00 14.11 H new ATOM 0 HE21 GLN A 44 13.262 -8.992 2.920 1.00 34.22 H new ATOM 0 HE22 GLN A 44 12.807 -9.009 4.627 1.00 34.22 H new ATOM 634 N ARG A 45 10.888 -12.716 4.476 1.00 20.24 N ATOM 635 CA ARG A 45 9.866 -12.153 5.389 1.00 73.42 C ATOM 636 C ARG A 45 9.642 -10.635 5.164 1.00 25.12 C ATOM 637 O ARG A 45 10.537 -9.815 5.410 1.00 62.02 O ATOM 638 CB ARG A 45 10.263 -12.420 6.869 1.00 3.44 C ATOM 639 CG ARG A 45 9.259 -11.861 7.911 1.00 41.24 C ATOM 640 CD ARG A 45 9.673 -12.162 9.363 1.00 21.44 C ATOM 641 NE ARG A 45 10.965 -11.546 9.733 1.00 32.12 N ATOM 642 CZ ARG A 45 11.888 -12.094 10.509 1.00 32.50 C ATOM 643 NH1 ARG A 45 11.762 -13.310 10.959 1.00 33.10 N ATOM 644 NH2 ARG A 45 12.944 -11.418 10.815 1.00 43.04 N ATOM 0 H ARG A 45 11.604 -13.261 4.957 1.00 20.24 H new ATOM 0 HA ARG A 45 8.925 -12.655 5.165 1.00 73.42 H new ATOM 0 HB2 ARG A 45 10.362 -13.495 7.018 1.00 3.44 H new ATOM 0 HB3 ARG A 45 11.243 -11.981 7.055 1.00 3.44 H new ATOM 0 HG2 ARG A 45 9.170 -10.783 7.780 1.00 41.24 H new ATOM 0 HG3 ARG A 45 8.274 -12.287 7.724 1.00 41.24 H new ATOM 0 HD2 ARG A 45 8.898 -11.801 10.039 1.00 21.44 H new ATOM 0 HD3 ARG A 45 9.738 -13.241 9.500 1.00 21.44 H new ATOM 0 HE ARG A 45 11.163 -10.618 9.358 1.00 32.12 H new ATOM 0 HH11 ARG A 45 10.939 -13.861 10.715 1.00 33.10 H new ATOM 0 HH12 ARG A 45 12.486 -13.711 11.555 1.00 33.10 H new ATOM 0 HH21 ARG A 45 13.063 -10.469 10.460 1.00 43.04 H new ATOM 0 HH22 ARG A 45 13.660 -11.832 11.412 1.00 43.04 H new ATOM 658 N VAL A 46 8.430 -10.293 4.695 1.00 54.01 N ATOM 659 CA VAL A 46 8.038 -8.906 4.398 1.00 33.40 C ATOM 660 C VAL A 46 7.767 -8.142 5.719 1.00 14.03 C ATOM 661 O VAL A 46 6.688 -8.255 6.313 1.00 33.44 O ATOM 662 CB VAL A 46 6.780 -8.859 3.451 1.00 53.02 C ATOM 663 CG1 VAL A 46 6.445 -7.409 3.010 1.00 24.31 C ATOM 664 CG2 VAL A 46 6.980 -9.784 2.223 1.00 44.21 C ATOM 0 H VAL A 46 7.693 -10.973 4.511 1.00 54.01 H new ATOM 0 HA VAL A 46 8.859 -8.419 3.872 1.00 33.40 H new ATOM 0 HB VAL A 46 5.927 -9.228 4.020 1.00 53.02 H new ATOM 0 HG11 VAL A 46 5.572 -7.420 2.358 1.00 24.31 H new ATOM 0 HG12 VAL A 46 6.234 -6.801 3.890 1.00 24.31 H new ATOM 0 HG13 VAL A 46 7.294 -6.987 2.472 1.00 24.31 H new ATOM 0 HG21 VAL A 46 6.099 -9.735 1.583 1.00 44.21 H new ATOM 0 HG22 VAL A 46 7.855 -9.458 1.661 1.00 44.21 H new ATOM 0 HG23 VAL A 46 7.127 -10.810 2.560 1.00 44.21 H new ATOM 674 N ASP A 47 8.789 -7.402 6.179 1.00 33.21 N ATOM 675 CA ASP A 47 8.741 -6.640 7.437 1.00 70.35 C ATOM 676 C ASP A 47 8.104 -5.250 7.188 1.00 63.13 C ATOM 677 O ASP A 47 8.656 -4.443 6.422 1.00 42.44 O ATOM 678 CB ASP A 47 10.172 -6.483 8.008 1.00 14.22 C ATOM 679 CG ASP A 47 10.206 -5.733 9.356 1.00 53.00 C ATOM 680 OD1 ASP A 47 10.041 -6.381 10.413 1.00 52.02 O ATOM 681 OD2 ASP A 47 10.386 -4.495 9.362 1.00 13.11 O ATOM 0 H ASP A 47 9.677 -7.315 5.685 1.00 33.21 H new ATOM 0 HA ASP A 47 8.130 -7.179 8.162 1.00 70.35 H new ATOM 0 HB2 ASP A 47 10.616 -7.470 8.137 1.00 14.22 H new ATOM 0 HB3 ASP A 47 10.789 -5.948 7.286 1.00 14.22 H new ATOM 686 N HIS A 48 6.958 -4.992 7.849 1.00 44.35 N ATOM 687 CA HIS A 48 6.217 -3.710 7.761 1.00 51.21 C ATOM 688 C HIS A 48 5.802 -3.371 6.298 1.00 42.45 C ATOM 689 O HIS A 48 6.235 -2.360 5.723 1.00 11.45 O ATOM 690 CB HIS A 48 7.027 -2.546 8.413 1.00 13.22 C ATOM 691 CG HIS A 48 7.348 -2.717 9.877 1.00 25.53 C ATOM 692 ND1 HIS A 48 7.297 -3.797 10.693 1.00 74.42 N flip ATOM 693 CD2 HIS A 48 7.770 -1.677 10.669 1.00 43.32 C flip ATOM 694 CE1 HIS A 48 7.691 -3.390 11.940 1.00 3.51 C flip ATOM 695 NE2 HIS A 48 7.976 -2.112 11.892 1.00 24.14 N flip ATOM 0 H HIS A 48 6.513 -5.672 8.466 1.00 44.35 H new ATOM 0 HA HIS A 48 5.294 -3.832 8.328 1.00 51.21 H new ATOM 0 HB2 HIS A 48 7.962 -2.427 7.866 1.00 13.22 H new ATOM 0 HB3 HIS A 48 6.464 -1.621 8.288 1.00 13.22 H new ATOM 0 HD1 HIS A 48 7.016 -4.741 10.427 1.00 74.42 H new ATOM 0 HD2 HIS A 48 7.911 -0.659 10.338 1.00 43.32 H new ATOM 0 HE1 HIS A 48 7.756 -4.018 12.816 1.00 3.51 H new ATOM 704 N HIS A 49 5.007 -4.271 5.700 1.00 32.40 N ATOM 705 CA HIS A 49 4.439 -4.102 4.345 1.00 34.13 C ATOM 706 C HIS A 49 3.552 -2.838 4.254 1.00 14.34 C ATOM 707 O HIS A 49 2.570 -2.702 4.998 1.00 34.32 O ATOM 708 CB HIS A 49 3.622 -5.360 3.960 1.00 1.53 C ATOM 709 CG HIS A 49 3.032 -5.334 2.566 1.00 4.13 C ATOM 710 ND1 HIS A 49 3.757 -5.730 1.467 1.00 23.12 N ATOM 711 CD2 HIS A 49 1.801 -4.950 2.155 1.00 72.10 C ATOM 712 CE1 HIS A 49 2.961 -5.574 0.425 1.00 23.35 C ATOM 713 NE2 HIS A 49 1.765 -5.105 0.795 1.00 73.04 N ATOM 0 H HIS A 49 4.735 -5.148 6.145 1.00 32.40 H new ATOM 0 HA HIS A 49 5.264 -3.976 3.644 1.00 34.13 H new ATOM 0 HB2 HIS A 49 4.266 -6.235 4.050 1.00 1.53 H new ATOM 0 HB3 HIS A 49 2.812 -5.484 4.679 1.00 1.53 H new ATOM 0 HD2 HIS A 49 0.999 -4.589 2.781 1.00 72.10 H new ATOM 0 HE1 HIS A 49 3.240 -5.797 -0.594 1.00 23.35 H new ATOM 0 HE2 HIS A 49 0.976 -4.901 0.181 1.00 73.04 H new ATOM 721 N LYS A 50 3.914 -1.925 3.341 1.00 32.02 N ATOM 722 CA LYS A 50 3.166 -0.681 3.082 1.00 52.51 C ATOM 723 C LYS A 50 2.830 -0.559 1.560 1.00 34.12 C ATOM 724 O LYS A 50 3.679 -0.864 0.725 1.00 32.21 O ATOM 725 CB LYS A 50 4.002 0.551 3.538 1.00 2.20 C ATOM 726 CG LYS A 50 4.197 0.682 5.070 1.00 60.15 C ATOM 727 CD LYS A 50 4.980 1.959 5.443 1.00 62.44 C ATOM 728 CE LYS A 50 5.085 2.186 6.960 1.00 1.13 C ATOM 729 NZ LYS A 50 5.798 3.451 7.275 1.00 62.32 N ATOM 0 H LYS A 50 4.742 -2.028 2.755 1.00 32.02 H new ATOM 0 HA LYS A 50 2.235 -0.710 3.649 1.00 52.51 H new ATOM 0 HB2 LYS A 50 4.983 0.500 3.065 1.00 2.20 H new ATOM 0 HB3 LYS A 50 3.518 1.456 3.170 1.00 2.20 H new ATOM 0 HG2 LYS A 50 3.223 0.697 5.560 1.00 60.15 H new ATOM 0 HG3 LYS A 50 4.729 -0.193 5.444 1.00 60.15 H new ATOM 0 HD2 LYS A 50 5.983 1.898 5.021 1.00 62.44 H new ATOM 0 HD3 LYS A 50 4.494 2.821 4.986 1.00 62.44 H new ATOM 0 HE2 LYS A 50 4.086 2.213 7.395 1.00 1.13 H new ATOM 0 HE3 LYS A 50 5.610 1.348 7.419 1.00 1.13 H new ATOM 0 HZ1 LYS A 50 5.851 3.572 8.307 1.00 62.32 H new ATOM 0 HZ2 LYS A 50 6.760 3.415 6.881 1.00 62.32 H new ATOM 0 HZ3 LYS A 50 5.283 4.253 6.858 1.00 62.32 H new ATOM 743 N TRP A 51 1.590 -0.163 1.178 1.00 52.41 N ATOM 744 CA TRP A 51 0.423 -0.026 2.088 1.00 72.21 C ATOM 745 C TRP A 51 -0.696 -1.025 1.734 1.00 13.34 C ATOM 746 O TRP A 51 -0.924 -1.370 0.566 1.00 63.33 O ATOM 747 CB TRP A 51 -0.155 1.421 2.073 1.00 21.01 C ATOM 748 CG TRP A 51 0.704 2.437 2.782 1.00 64.11 C ATOM 749 CD1 TRP A 51 1.690 3.203 2.240 1.00 32.43 C ATOM 750 CD2 TRP A 51 0.642 2.789 4.177 1.00 43.11 C ATOM 751 NE1 TRP A 51 2.249 4.004 3.202 1.00 64.51 N ATOM 752 CE2 TRP A 51 1.623 3.773 4.399 1.00 64.15 C ATOM 753 CE3 TRP A 51 -0.147 2.365 5.255 1.00 73.43 C ATOM 754 CZ2 TRP A 51 1.836 4.343 5.656 1.00 3.44 C ATOM 755 CZ3 TRP A 51 0.062 2.931 6.500 1.00 22.22 C ATOM 756 CH2 TRP A 51 1.047 3.911 6.693 1.00 4.30 C ATOM 0 H TRP A 51 1.368 0.075 0.211 1.00 52.41 H new ATOM 0 HA TRP A 51 0.790 -0.248 3.090 1.00 72.21 H new ATOM 0 HB2 TRP A 51 -0.291 1.735 1.038 1.00 21.01 H new ATOM 0 HB3 TRP A 51 -1.142 1.411 2.535 1.00 21.01 H new ATOM 0 HD1 TRP A 51 1.989 3.183 1.202 1.00 32.43 H new ATOM 0 HE1 TRP A 51 3.010 4.666 3.051 1.00 64.51 H new ATOM 0 HE3 TRP A 51 -0.906 1.609 5.116 1.00 73.43 H new ATOM 0 HZ2 TRP A 51 2.594 5.097 5.807 1.00 3.44 H new ATOM 0 HZ3 TRP A 51 -0.543 2.613 7.337 1.00 22.22 H new ATOM 0 HH2 TRP A 51 1.187 4.334 7.677 1.00 4.30 H new ATOM 767 N VAL A 52 -1.382 -1.463 2.792 1.00 52.41 N ATOM 768 CA VAL A 52 -2.658 -2.196 2.725 1.00 21.22 C ATOM 769 C VAL A 52 -3.709 -1.404 3.519 1.00 70.32 C ATOM 770 O VAL A 52 -3.358 -0.661 4.441 1.00 60.33 O ATOM 771 CB VAL A 52 -2.555 -3.669 3.292 1.00 62.24 C ATOM 772 CG1 VAL A 52 -1.710 -4.578 2.365 1.00 35.31 C ATOM 773 CG2 VAL A 52 -2.011 -3.704 4.749 1.00 53.11 C ATOM 0 H VAL A 52 -1.060 -1.316 3.749 1.00 52.41 H new ATOM 0 HA VAL A 52 -2.940 -2.289 1.676 1.00 21.22 H new ATOM 0 HB VAL A 52 -3.571 -4.063 3.317 1.00 62.24 H new ATOM 0 HG11 VAL A 52 -1.661 -5.582 2.786 1.00 35.31 H new ATOM 0 HG12 VAL A 52 -2.171 -4.621 1.378 1.00 35.31 H new ATOM 0 HG13 VAL A 52 -0.702 -4.172 2.277 1.00 35.31 H new ATOM 0 HG21 VAL A 52 -1.959 -4.737 5.093 1.00 53.11 H new ATOM 0 HG22 VAL A 52 -1.015 -3.262 4.776 1.00 53.11 H new ATOM 0 HG23 VAL A 52 -2.677 -3.138 5.400 1.00 53.11 H new ATOM 783 N ILE A 53 -4.984 -1.528 3.148 1.00 32.34 N ATOM 784 CA ILE A 53 -6.091 -0.870 3.879 1.00 53.22 C ATOM 785 C ILE A 53 -7.077 -1.913 4.441 1.00 53.02 C ATOM 786 O ILE A 53 -6.832 -3.123 4.370 1.00 33.31 O ATOM 787 CB ILE A 53 -6.843 0.198 2.985 1.00 65.12 C ATOM 788 CG1 ILE A 53 -7.564 -0.468 1.769 1.00 42.13 C ATOM 789 CG2 ILE A 53 -5.857 1.292 2.520 1.00 40.21 C ATOM 790 CD1 ILE A 53 -8.365 0.472 0.873 1.00 51.25 C ATOM 0 H ILE A 53 -5.286 -2.078 2.344 1.00 32.34 H new ATOM 0 HA ILE A 53 -5.648 -0.331 4.717 1.00 53.22 H new ATOM 0 HB ILE A 53 -7.617 0.664 3.595 1.00 65.12 H new ATOM 0 HG12 ILE A 53 -6.814 -0.971 1.158 1.00 42.13 H new ATOM 0 HG13 ILE A 53 -8.236 -1.239 2.147 1.00 42.13 H new ATOM 0 HG21 ILE A 53 -6.386 2.021 1.906 1.00 40.21 H new ATOM 0 HG22 ILE A 53 -5.431 1.791 3.390 1.00 40.21 H new ATOM 0 HG23 ILE A 53 -5.058 0.837 1.935 1.00 40.21 H new ATOM 0 HD11 ILE A 53 -8.821 -0.098 0.063 1.00 51.25 H new ATOM 0 HD12 ILE A 53 -9.145 0.957 1.460 1.00 51.25 H new ATOM 0 HD13 ILE A 53 -7.702 1.229 0.455 1.00 51.25 H new ATOM 802 N GLN A 54 -8.150 -1.418 5.069 1.00 4.11 N ATOM 803 CA GLN A 54 -9.263 -2.230 5.600 1.00 50.33 C ATOM 804 C GLN A 54 -9.836 -3.253 4.580 1.00 54.32 C ATOM 805 O GLN A 54 -10.258 -4.354 4.966 1.00 24.03 O ATOM 806 CB GLN A 54 -10.348 -1.254 6.130 1.00 15.44 C ATOM 807 CG GLN A 54 -11.530 -1.917 6.851 1.00 24.41 C ATOM 808 CD GLN A 54 -12.344 -0.943 7.695 1.00 3.24 C ATOM 809 OE1 GLN A 54 -13.302 -0.335 7.230 1.00 51.10 O ATOM 810 NE2 GLN A 54 -11.963 -0.780 8.953 1.00 63.43 N ATOM 0 H GLN A 54 -8.276 -0.418 5.228 1.00 4.11 H new ATOM 0 HA GLN A 54 -8.886 -2.855 6.410 1.00 50.33 H new ATOM 0 HB2 GLN A 54 -9.876 -0.548 6.814 1.00 15.44 H new ATOM 0 HB3 GLN A 54 -10.734 -0.675 5.291 1.00 15.44 H new ATOM 0 HG2 GLN A 54 -12.184 -2.381 6.112 1.00 24.41 H new ATOM 0 HG3 GLN A 54 -11.155 -2.716 7.491 1.00 24.41 H new ATOM 0 HE21 GLN A 54 -11.162 -1.298 9.315 1.00 63.43 H new ATOM 0 HE22 GLN A 54 -12.470 -0.136 9.560 1.00 63.43 H new ATOM 819 N GLU A 55 -9.824 -2.891 3.285 1.00 63.43 N ATOM 820 CA GLU A 55 -10.284 -3.772 2.184 1.00 65.22 C ATOM 821 C GLU A 55 -9.437 -5.076 2.048 1.00 24.14 C ATOM 822 O GLU A 55 -9.933 -6.103 1.590 1.00 22.44 O ATOM 823 CB GLU A 55 -10.238 -2.969 0.857 1.00 14.02 C ATOM 824 CG GLU A 55 -10.984 -3.606 -0.333 1.00 43.11 C ATOM 825 CD GLU A 55 -12.516 -3.587 -0.165 1.00 0.14 C ATOM 826 OE1 GLU A 55 -13.144 -2.556 -0.498 1.00 24.34 O ATOM 827 OE2 GLU A 55 -13.096 -4.590 0.306 1.00 54.42 O ATOM 0 H GLU A 55 -9.496 -1.979 2.966 1.00 63.43 H new ATOM 0 HA GLU A 55 -11.301 -4.090 2.414 1.00 65.22 H new ATOM 0 HB2 GLU A 55 -10.657 -1.979 1.037 1.00 14.02 H new ATOM 0 HB3 GLU A 55 -9.195 -2.827 0.575 1.00 14.02 H new ATOM 0 HG2 GLU A 55 -10.718 -3.075 -1.247 1.00 43.11 H new ATOM 0 HG3 GLU A 55 -10.650 -4.637 -0.454 1.00 43.11 H new ATOM 834 N GLU A 56 -8.167 -5.034 2.481 1.00 62.51 N ATOM 835 CA GLU A 56 -7.205 -6.153 2.285 1.00 4.54 C ATOM 836 C GLU A 56 -7.339 -7.252 3.369 1.00 22.20 C ATOM 837 O GLU A 56 -6.790 -8.348 3.202 1.00 21.55 O ATOM 838 CB GLU A 56 -5.736 -5.603 2.255 1.00 71.42 C ATOM 839 CG GLU A 56 -5.231 -5.131 0.871 1.00 71.12 C ATOM 840 CD GLU A 56 -6.074 -4.025 0.221 1.00 33.45 C ATOM 841 OE1 GLU A 56 -5.809 -2.853 0.496 1.00 23.13 O ATOM 842 OE2 GLU A 56 -6.995 -4.333 -0.577 1.00 45.10 O ATOM 0 H GLU A 56 -7.771 -4.234 2.974 1.00 62.51 H new ATOM 0 HA GLU A 56 -7.445 -6.616 1.328 1.00 4.54 H new ATOM 0 HB2 GLU A 56 -5.664 -4.769 2.953 1.00 71.42 H new ATOM 0 HB3 GLU A 56 -5.067 -6.382 2.620 1.00 71.42 H new ATOM 0 HG2 GLU A 56 -4.207 -4.773 0.976 1.00 71.12 H new ATOM 0 HG3 GLU A 56 -5.202 -5.989 0.199 1.00 71.12 H new ATOM 849 N ILE A 57 -8.059 -6.967 4.476 1.00 31.11 N ATOM 850 CA ILE A 57 -8.110 -7.855 5.667 1.00 44.21 C ATOM 851 C ILE A 57 -9.575 -8.271 5.989 1.00 43.32 C ATOM 852 O ILE A 57 -10.485 -7.440 5.959 1.00 73.03 O ATOM 853 CB ILE A 57 -7.451 -7.141 6.915 1.00 15.32 C ATOM 854 CG1 ILE A 57 -5.962 -6.753 6.596 1.00 20.12 C ATOM 855 CG2 ILE A 57 -7.538 -8.024 8.186 1.00 24.31 C ATOM 856 CD1 ILE A 57 -5.223 -6.013 7.699 1.00 11.02 C ATOM 0 H ILE A 57 -8.620 -6.121 4.573 1.00 31.11 H new ATOM 0 HA ILE A 57 -7.543 -8.759 5.442 1.00 44.21 H new ATOM 0 HB ILE A 57 -8.011 -6.228 7.118 1.00 15.32 H new ATOM 0 HG12 ILE A 57 -5.411 -7.664 6.362 1.00 20.12 H new ATOM 0 HG13 ILE A 57 -5.951 -6.135 5.698 1.00 20.12 H new ATOM 0 HG21 ILE A 57 -7.076 -7.502 9.024 1.00 24.31 H new ATOM 0 HG22 ILE A 57 -8.584 -8.227 8.417 1.00 24.31 H new ATOM 0 HG23 ILE A 57 -7.016 -8.965 8.012 1.00 24.31 H new ATOM 0 HD11 ILE A 57 -4.206 -5.795 7.373 1.00 11.02 H new ATOM 0 HD12 ILE A 57 -5.741 -5.080 7.921 1.00 11.02 H new ATOM 0 HD13 ILE A 57 -5.192 -6.633 8.595 1.00 11.02 H new ATOM 868 N LYS A 58 -9.764 -9.562 6.319 1.00 51.21 N ATOM 869 CA LYS A 58 -11.092 -10.173 6.605 1.00 43.41 C ATOM 870 C LYS A 58 -11.604 -9.834 8.023 1.00 15.41 C ATOM 871 O LYS A 58 -12.804 -9.613 8.234 1.00 23.12 O ATOM 872 CB LYS A 58 -10.951 -11.704 6.440 1.00 31.55 C ATOM 873 CG LYS A 58 -12.247 -12.543 6.556 1.00 12.32 C ATOM 874 CD LYS A 58 -12.064 -13.968 5.968 1.00 71.51 C ATOM 875 CE LYS A 58 -10.869 -14.749 6.574 1.00 1.14 C ATOM 876 NZ LYS A 58 -10.459 -15.887 5.708 1.00 61.25 N ATOM 0 H LYS A 58 -8.994 -10.226 6.398 1.00 51.21 H new ATOM 0 HA LYS A 58 -11.825 -9.767 5.908 1.00 43.41 H new ATOM 0 HB2 LYS A 58 -10.506 -11.901 5.465 1.00 31.55 H new ATOM 0 HB3 LYS A 58 -10.246 -12.063 7.190 1.00 31.55 H new ATOM 0 HG2 LYS A 58 -12.540 -12.617 7.603 1.00 12.32 H new ATOM 0 HG3 LYS A 58 -13.057 -12.035 6.033 1.00 12.32 H new ATOM 0 HD2 LYS A 58 -12.978 -14.538 6.132 1.00 71.51 H new ATOM 0 HD3 LYS A 58 -11.925 -13.890 4.890 1.00 71.51 H new ATOM 0 HE2 LYS A 58 -10.025 -14.073 6.711 1.00 1.14 H new ATOM 0 HE3 LYS A 58 -11.142 -15.123 7.561 1.00 1.14 H new ATOM 0 HZ1 LYS A 58 -9.886 -16.555 6.261 1.00 61.25 H new ATOM 0 HZ2 LYS A 58 -11.306 -16.372 5.349 1.00 61.25 H new ATOM 0 HZ3 LYS A 58 -9.899 -15.530 4.908 1.00 61.25 H new ATOM 890 N ASP A 59 -10.672 -9.786 8.981 1.00 45.22 N ATOM 891 CA ASP A 59 -10.969 -9.607 10.417 1.00 73.15 C ATOM 892 C ASP A 59 -11.316 -8.137 10.782 1.00 11.33 C ATOM 893 O ASP A 59 -11.849 -7.886 11.877 1.00 4.03 O ATOM 894 CB ASP A 59 -9.754 -10.126 11.234 1.00 53.31 C ATOM 895 CG ASP A 59 -9.958 -10.093 12.756 1.00 32.34 C ATOM 896 OD1 ASP A 59 -10.952 -10.679 13.242 1.00 33.24 O ATOM 897 OD2 ASP A 59 -9.141 -9.482 13.471 1.00 74.33 O ATOM 0 H ASP A 59 -9.675 -9.871 8.784 1.00 45.22 H new ATOM 0 HA ASP A 59 -11.861 -10.183 10.665 1.00 73.15 H new ATOM 0 HB2 ASP A 59 -9.537 -11.150 10.930 1.00 53.31 H new ATOM 0 HB3 ASP A 59 -8.879 -9.527 10.983 1.00 53.31 H new ATOM 902 N ALA A 60 -11.014 -7.181 9.867 1.00 0.25 N ATOM 903 CA ALA A 60 -11.280 -5.737 10.068 1.00 1.43 C ATOM 904 C ALA A 60 -12.729 -5.423 10.530 1.00 73.33 C ATOM 905 O ALA A 60 -12.918 -4.902 11.620 1.00 74.12 O ATOM 906 CB ALA A 60 -10.919 -4.966 8.792 1.00 31.22 C ATOM 0 H ALA A 60 -10.579 -7.392 8.969 1.00 0.25 H new ATOM 0 HA ALA A 60 -10.645 -5.406 10.890 1.00 1.43 H new ATOM 0 HB1 ALA A 60 -11.115 -3.904 8.941 1.00 31.22 H new ATOM 0 HB2 ALA A 60 -9.863 -5.112 8.565 1.00 31.22 H new ATOM 0 HB3 ALA A 60 -11.522 -5.333 7.962 1.00 31.22 H new ATOM 912 N GLY A 61 -13.745 -5.727 9.702 1.00 13.32 N ATOM 913 CA GLY A 61 -15.155 -5.553 10.118 1.00 53.11 C ATOM 914 C GLY A 61 -15.578 -4.106 10.408 1.00 10.30 C ATOM 915 O GLY A 61 -16.388 -3.874 11.314 1.00 70.13 O ATOM 0 H GLY A 61 -13.623 -6.089 8.756 1.00 13.32 H new ATOM 0 HA2 GLY A 61 -15.800 -5.953 9.335 1.00 53.11 H new ATOM 0 HA3 GLY A 61 -15.330 -6.152 11.012 1.00 53.11 H new ATOM 919 N ASP A 62 -14.997 -3.145 9.654 1.00 4.55 N ATOM 920 CA ASP A 62 -15.221 -1.685 9.827 1.00 5.13 C ATOM 921 C ASP A 62 -14.652 -1.129 11.172 1.00 11.24 C ATOM 922 O ASP A 62 -14.981 -0.002 11.565 1.00 65.23 O ATOM 923 CB ASP A 62 -16.723 -1.308 9.635 1.00 4.14 C ATOM 924 CG ASP A 62 -17.221 -1.596 8.208 1.00 11.12 C ATOM 925 OD1 ASP A 62 -17.074 -0.719 7.327 1.00 4.14 O ATOM 926 OD2 ASP A 62 -17.749 -2.702 7.954 1.00 43.22 O ATOM 0 H ASP A 62 -14.349 -3.362 8.896 1.00 4.55 H new ATOM 0 HA ASP A 62 -14.651 -1.196 9.037 1.00 5.13 H new ATOM 0 HB2 ASP A 62 -17.329 -1.866 10.348 1.00 4.14 H new ATOM 0 HB3 ASP A 62 -16.861 -0.250 9.859 1.00 4.14 H new ATOM 931 N LYS A 63 -13.751 -1.891 11.839 1.00 63.24 N ATOM 932 CA LYS A 63 -13.103 -1.459 13.114 1.00 2.53 C ATOM 933 C LYS A 63 -11.617 -1.063 12.880 1.00 2.42 C ATOM 934 O LYS A 63 -11.095 -1.162 11.764 1.00 2.13 O ATOM 935 CB LYS A 63 -13.205 -2.583 14.212 1.00 4.10 C ATOM 936 CG LYS A 63 -12.048 -3.623 14.220 1.00 31.42 C ATOM 937 CD LYS A 63 -12.260 -4.787 15.215 1.00 41.31 C ATOM 938 CE LYS A 63 -13.479 -5.673 14.874 1.00 13.25 C ATOM 939 NZ LYS A 63 -13.605 -6.824 15.810 1.00 30.23 N ATOM 0 H LYS A 63 -13.452 -2.812 11.518 1.00 63.24 H new ATOM 0 HA LYS A 63 -13.639 -0.581 13.474 1.00 2.53 H new ATOM 0 HB2 LYS A 63 -13.248 -2.106 15.191 1.00 4.10 H new ATOM 0 HB3 LYS A 63 -14.147 -3.115 14.075 1.00 4.10 H new ATOM 0 HG2 LYS A 63 -11.933 -4.032 13.216 1.00 31.42 H new ATOM 0 HG3 LYS A 63 -11.116 -3.113 14.465 1.00 31.42 H new ATOM 0 HD2 LYS A 63 -11.364 -5.407 15.233 1.00 41.31 H new ATOM 0 HD3 LYS A 63 -12.386 -4.379 16.218 1.00 41.31 H new ATOM 0 HE2 LYS A 63 -14.387 -5.072 14.913 1.00 13.25 H new ATOM 0 HE3 LYS A 63 -13.385 -6.043 13.853 1.00 13.25 H new ATOM 0 HZ1 LYS A 63 -14.434 -7.395 15.549 1.00 30.23 H new ATOM 0 HZ2 LYS A 63 -12.749 -7.412 15.755 1.00 30.23 H new ATOM 0 HZ3 LYS A 63 -13.720 -6.471 16.781 1.00 30.23 H new ATOM 953 N THR A 64 -10.958 -0.586 13.953 1.00 63.31 N ATOM 954 CA THR A 64 -9.495 -0.377 14.000 1.00 64.42 C ATOM 955 C THR A 64 -8.825 -1.610 14.667 1.00 61.33 C ATOM 956 O THR A 64 -9.070 -1.888 15.850 1.00 22.21 O ATOM 957 CB THR A 64 -9.144 0.936 14.795 1.00 75.20 C ATOM 958 OG1 THR A 64 -9.688 2.083 14.114 1.00 41.43 O ATOM 959 CG2 THR A 64 -7.626 1.135 14.980 1.00 11.44 C ATOM 0 H THR A 64 -11.429 -0.332 14.821 1.00 63.31 H new ATOM 0 HA THR A 64 -9.117 -0.263 12.984 1.00 64.42 H new ATOM 0 HB THR A 64 -9.587 0.831 15.785 1.00 75.20 H new ATOM 0 HG1 THR A 64 -9.467 2.896 14.615 1.00 41.43 H new ATOM 0 HG21 THR A 64 -7.445 2.056 15.535 1.00 11.44 H new ATOM 0 HG22 THR A 64 -7.213 0.291 15.533 1.00 11.44 H new ATOM 0 HG23 THR A 64 -7.146 1.199 14.004 1.00 11.44 H new ATOM 967 N LEU A 65 -8.025 -2.367 13.886 1.00 30.32 N ATOM 968 CA LEU A 65 -7.250 -3.526 14.396 1.00 2.33 C ATOM 969 C LEU A 65 -6.000 -3.035 15.166 1.00 24.02 C ATOM 970 O LEU A 65 -5.302 -2.128 14.706 1.00 53.22 O ATOM 971 CB LEU A 65 -6.834 -4.449 13.222 1.00 22.34 C ATOM 972 CG LEU A 65 -8.001 -5.033 12.364 1.00 24.22 C ATOM 973 CD1 LEU A 65 -7.457 -5.824 11.159 1.00 24.30 C ATOM 974 CD2 LEU A 65 -8.957 -5.901 13.218 1.00 23.44 C ATOM 0 H LEU A 65 -7.896 -2.196 12.889 1.00 30.32 H new ATOM 0 HA LEU A 65 -7.878 -4.096 15.081 1.00 2.33 H new ATOM 0 HB2 LEU A 65 -6.170 -3.889 12.563 1.00 22.34 H new ATOM 0 HB3 LEU A 65 -6.256 -5.280 13.626 1.00 22.34 H new ATOM 0 HG LEU A 65 -8.580 -4.193 11.981 1.00 24.22 H new ATOM 0 HD11 LEU A 65 -8.290 -6.220 10.578 1.00 24.30 H new ATOM 0 HD12 LEU A 65 -6.858 -5.164 10.531 1.00 24.30 H new ATOM 0 HD13 LEU A 65 -6.838 -6.648 11.514 1.00 24.30 H new ATOM 0 HD21 LEU A 65 -9.756 -6.290 12.587 1.00 23.44 H new ATOM 0 HD22 LEU A 65 -8.402 -6.732 13.655 1.00 23.44 H new ATOM 0 HD23 LEU A 65 -9.387 -5.293 14.014 1.00 23.44 H new ATOM 986 N GLN A 66 -5.715 -3.655 16.321 1.00 50.32 N ATOM 987 CA GLN A 66 -4.688 -3.179 17.271 1.00 3.32 C ATOM 988 C GLN A 66 -3.328 -3.901 17.049 1.00 62.00 C ATOM 989 O GLN A 66 -3.306 -5.030 16.539 1.00 71.44 O ATOM 990 CB GLN A 66 -5.186 -3.393 18.737 1.00 63.25 C ATOM 991 CG GLN A 66 -6.475 -2.616 19.132 1.00 45.32 C ATOM 992 CD GLN A 66 -7.807 -3.320 18.793 1.00 13.41 C ATOM 993 OE1 GLN A 66 -7.919 -4.108 17.861 1.00 52.24 O ATOM 994 NE2 GLN A 66 -8.842 -3.020 19.551 1.00 54.24 N ATOM 0 H GLN A 66 -6.190 -4.504 16.627 1.00 50.32 H new ATOM 0 HA GLN A 66 -4.527 -2.115 17.095 1.00 3.32 H new ATOM 0 HB2 GLN A 66 -5.365 -4.457 18.889 1.00 63.25 H new ATOM 0 HB3 GLN A 66 -4.386 -3.104 19.419 1.00 63.25 H new ATOM 0 HG2 GLN A 66 -6.448 -2.425 20.205 1.00 45.32 H new ATOM 0 HG3 GLN A 66 -6.460 -1.646 18.635 1.00 45.32 H new ATOM 0 HE21 GLN A 66 -8.735 -2.363 20.323 1.00 54.24 H new ATOM 0 HE22 GLN A 66 -9.750 -3.445 19.365 1.00 54.24 H new ATOM 1003 N PRO A 67 -2.164 -3.243 17.396 1.00 3.43 N ATOM 1004 CA PRO A 67 -0.823 -3.895 17.378 1.00 2.04 C ATOM 1005 C PRO A 67 -0.783 -5.249 18.148 1.00 71.43 C ATOM 1006 O PRO A 67 -1.077 -5.297 19.347 1.00 73.24 O ATOM 1007 CB PRO A 67 0.098 -2.837 18.037 1.00 1.21 C ATOM 1008 CG PRO A 67 -0.562 -1.530 17.723 1.00 61.41 C ATOM 1009 CD PRO A 67 -2.054 -1.802 17.776 1.00 30.23 C ATOM 0 HA PRO A 67 -0.520 -4.167 16.367 1.00 2.04 H new ATOM 0 HB2 PRO A 67 0.179 -2.994 19.113 1.00 1.21 H new ATOM 0 HB3 PRO A 67 1.109 -2.881 17.631 1.00 1.21 H new ATOM 0 HG2 PRO A 67 -0.278 -0.764 18.445 1.00 61.41 H new ATOM 0 HG3 PRO A 67 -0.265 -1.167 16.739 1.00 61.41 H new ATOM 0 HD2 PRO A 67 -2.460 -1.618 18.771 1.00 30.23 H new ATOM 0 HD3 PRO A 67 -2.603 -1.162 17.085 1.00 30.23 H new ATOM 1017 N GLY A 68 -0.444 -6.340 17.434 1.00 13.54 N ATOM 1018 CA GLY A 68 -0.414 -7.701 18.015 1.00 15.15 C ATOM 1019 C GLY A 68 -1.501 -8.635 17.463 1.00 54.43 C ATOM 1020 O GLY A 68 -1.435 -9.853 17.674 1.00 14.52 O ATOM 0 H GLY A 68 -0.185 -6.307 16.448 1.00 13.54 H new ATOM 0 HA2 GLY A 68 0.563 -8.145 17.826 1.00 15.15 H new ATOM 0 HA3 GLY A 68 -0.527 -7.627 19.097 1.00 15.15 H new ATOM 1024 N ASP A 69 -2.516 -8.076 16.763 1.00 70.34 N ATOM 1025 CA ASP A 69 -3.583 -8.880 16.115 1.00 12.32 C ATOM 1026 C ASP A 69 -3.044 -9.710 14.915 1.00 52.03 C ATOM 1027 O ASP A 69 -2.504 -9.161 13.950 1.00 24.23 O ATOM 1028 CB ASP A 69 -4.774 -7.975 15.663 1.00 22.02 C ATOM 1029 CG ASP A 69 -5.775 -7.691 16.802 1.00 50.52 C ATOM 1030 OD1 ASP A 69 -6.678 -8.533 17.030 1.00 45.53 O ATOM 1031 OD2 ASP A 69 -5.668 -6.649 17.475 1.00 62.24 O ATOM 0 H ASP A 69 -2.620 -7.070 16.632 1.00 70.34 H new ATOM 0 HA ASP A 69 -3.946 -9.584 16.864 1.00 12.32 H new ATOM 0 HB2 ASP A 69 -4.383 -7.030 15.285 1.00 22.02 H new ATOM 0 HB3 ASP A 69 -5.297 -8.457 14.837 1.00 22.02 H new ATOM 1036 N GLN A 70 -3.201 -11.045 15.013 1.00 74.51 N ATOM 1037 CA GLN A 70 -2.876 -11.981 13.915 1.00 54.12 C ATOM 1038 C GLN A 70 -4.112 -12.173 13.006 1.00 21.45 C ATOM 1039 O GLN A 70 -5.158 -12.654 13.454 1.00 30.12 O ATOM 1040 CB GLN A 70 -2.401 -13.346 14.474 1.00 62.32 C ATOM 1041 CG GLN A 70 -1.065 -13.307 15.247 1.00 45.52 C ATOM 1042 CD GLN A 70 0.148 -12.919 14.391 1.00 3.42 C ATOM 1043 OE1 GLN A 70 0.198 -13.164 13.189 1.00 31.50 O ATOM 1044 NE2 GLN A 70 1.163 -12.359 15.012 1.00 4.22 N ATOM 0 H GLN A 70 -3.555 -11.505 15.852 1.00 74.51 H new ATOM 0 HA GLN A 70 -2.063 -11.556 13.327 1.00 54.12 H new ATOM 0 HB2 GLN A 70 -3.174 -13.740 15.134 1.00 62.32 H new ATOM 0 HB3 GLN A 70 -2.303 -14.047 13.645 1.00 62.32 H new ATOM 0 HG2 GLN A 70 -1.156 -12.599 16.070 1.00 45.52 H new ATOM 0 HG3 GLN A 70 -0.885 -14.287 15.688 1.00 45.52 H new ATOM 0 HE21 GLN A 70 1.104 -12.163 16.011 1.00 4.22 H new ATOM 0 HE22 GLN A 70 2.009 -12.121 14.494 1.00 4.22 H new ATOM 1053 N VAL A 71 -3.951 -11.836 11.721 1.00 73.30 N ATOM 1054 CA VAL A 71 -5.038 -11.797 10.718 1.00 1.51 C ATOM 1055 C VAL A 71 -4.640 -12.578 9.441 1.00 3.22 C ATOM 1056 O VAL A 71 -3.476 -12.932 9.259 1.00 12.03 O ATOM 1057 CB VAL A 71 -5.398 -10.304 10.335 1.00 32.32 C ATOM 1058 CG1 VAL A 71 -5.962 -9.523 11.552 1.00 5.25 C ATOM 1059 CG2 VAL A 71 -4.181 -9.555 9.714 1.00 13.20 C ATOM 0 H VAL A 71 -3.044 -11.576 11.334 1.00 73.30 H new ATOM 0 HA VAL A 71 -5.913 -12.270 11.163 1.00 1.51 H new ATOM 0 HB VAL A 71 -6.179 -10.353 9.576 1.00 32.32 H new ATOM 0 HG11 VAL A 71 -6.198 -8.502 11.252 1.00 5.25 H new ATOM 0 HG12 VAL A 71 -6.866 -10.014 11.912 1.00 5.25 H new ATOM 0 HG13 VAL A 71 -5.218 -9.504 12.349 1.00 5.25 H new ATOM 0 HG21 VAL A 71 -4.470 -8.534 9.465 1.00 13.20 H new ATOM 0 HG22 VAL A 71 -3.361 -9.535 10.432 1.00 13.20 H new ATOM 0 HG23 VAL A 71 -3.859 -10.071 8.810 1.00 13.20 H new ATOM 1069 N ILE A 72 -5.624 -12.859 8.576 1.00 32.25 N ATOM 1070 CA ILE A 72 -5.393 -13.438 7.227 1.00 3.42 C ATOM 1071 C ILE A 72 -5.751 -12.399 6.132 1.00 51.55 C ATOM 1072 O ILE A 72 -6.792 -11.734 6.208 1.00 53.45 O ATOM 1073 CB ILE A 72 -6.235 -14.757 7.024 1.00 71.21 C ATOM 1074 CG1 ILE A 72 -5.817 -15.853 8.060 1.00 71.41 C ATOM 1075 CG2 ILE A 72 -6.137 -15.298 5.571 1.00 25.13 C ATOM 1076 CD1 ILE A 72 -4.383 -16.357 7.939 1.00 44.32 C ATOM 0 H ILE A 72 -6.609 -12.694 8.784 1.00 32.25 H new ATOM 0 HA ILE A 72 -4.337 -13.695 7.143 1.00 3.42 H new ATOM 0 HB ILE A 72 -7.280 -14.500 7.199 1.00 71.21 H new ATOM 0 HG12 ILE A 72 -5.960 -15.453 9.064 1.00 71.41 H new ATOM 0 HG13 ILE A 72 -6.492 -16.702 7.957 1.00 71.41 H new ATOM 0 HG21 ILE A 72 -6.733 -16.206 5.480 1.00 25.13 H new ATOM 0 HG22 ILE A 72 -6.513 -14.546 4.877 1.00 25.13 H new ATOM 0 HG23 ILE A 72 -5.096 -15.521 5.335 1.00 25.13 H new ATOM 0 HD11 ILE A 72 -4.197 -17.112 8.702 1.00 44.32 H new ATOM 0 HD12 ILE A 72 -4.233 -16.794 6.952 1.00 44.32 H new ATOM 0 HD13 ILE A 72 -3.692 -15.525 8.076 1.00 44.32 H new ATOM 1088 N LEU A 73 -4.889 -12.281 5.113 1.00 53.34 N ATOM 1089 CA LEU A 73 -5.081 -11.327 4.001 1.00 70.32 C ATOM 1090 C LEU A 73 -6.028 -11.910 2.914 1.00 12.02 C ATOM 1091 O LEU A 73 -5.777 -12.995 2.383 1.00 22.42 O ATOM 1092 CB LEU A 73 -3.694 -10.964 3.399 1.00 62.22 C ATOM 1093 CG LEU A 73 -2.648 -10.363 4.407 1.00 1.34 C ATOM 1094 CD1 LEU A 73 -1.270 -10.174 3.738 1.00 12.20 C ATOM 1095 CD2 LEU A 73 -3.155 -9.035 5.029 1.00 33.45 C ATOM 0 H LEU A 73 -4.040 -12.840 5.032 1.00 53.34 H new ATOM 0 HA LEU A 73 -5.555 -10.423 4.384 1.00 70.32 H new ATOM 0 HB2 LEU A 73 -3.266 -11.862 2.953 1.00 62.22 H new ATOM 0 HB3 LEU A 73 -3.845 -10.248 2.591 1.00 62.22 H new ATOM 0 HG LEU A 73 -2.528 -11.081 5.218 1.00 1.34 H new ATOM 0 HD11 LEU A 73 -0.569 -9.757 4.461 1.00 12.20 H new ATOM 0 HD12 LEU A 73 -0.900 -11.138 3.388 1.00 12.20 H new ATOM 0 HD13 LEU A 73 -1.367 -9.494 2.892 1.00 12.20 H new ATOM 0 HD21 LEU A 73 -2.407 -8.648 5.721 1.00 33.45 H new ATOM 0 HD22 LEU A 73 -3.329 -8.306 4.238 1.00 33.45 H new ATOM 0 HD23 LEU A 73 -4.086 -9.217 5.566 1.00 33.45 H new ATOM 1107 N GLU A 74 -7.135 -11.192 2.616 1.00 43.44 N ATOM 1108 CA GLU A 74 -8.060 -11.542 1.494 1.00 24.14 C ATOM 1109 C GLU A 74 -7.699 -10.800 0.195 1.00 12.14 C ATOM 1110 O GLU A 74 -8.478 -10.780 -0.766 1.00 54.11 O ATOM 1111 CB GLU A 74 -9.532 -11.255 1.876 1.00 5.15 C ATOM 1112 CG GLU A 74 -10.044 -12.057 3.075 1.00 23.15 C ATOM 1113 CD GLU A 74 -9.839 -13.586 2.965 1.00 12.34 C ATOM 1114 OE1 GLU A 74 -10.503 -14.229 2.126 1.00 35.33 O ATOM 1115 OE2 GLU A 74 -9.022 -14.151 3.732 1.00 31.43 O ATOM 0 H GLU A 74 -7.417 -10.361 3.135 1.00 43.44 H new ATOM 0 HA GLU A 74 -7.944 -12.611 1.313 1.00 24.14 H new ATOM 0 HB2 GLU A 74 -9.637 -10.192 2.094 1.00 5.15 H new ATOM 0 HB3 GLU A 74 -10.166 -11.468 1.015 1.00 5.15 H new ATOM 0 HG2 GLU A 74 -9.542 -11.701 3.974 1.00 23.15 H new ATOM 0 HG3 GLU A 74 -11.107 -11.855 3.203 1.00 23.15 H new ATOM 1122 N ALA A 75 -6.511 -10.199 0.165 1.00 0.12 N ATOM 1123 CA ALA A 75 -5.918 -9.643 -1.058 1.00 71.10 C ATOM 1124 C ALA A 75 -4.566 -10.309 -1.339 1.00 73.15 C ATOM 1125 O ALA A 75 -3.905 -10.819 -0.423 1.00 2.20 O ATOM 1126 CB ALA A 75 -5.762 -8.129 -0.936 1.00 53.33 C ATOM 0 H ALA A 75 -5.926 -10.081 0.992 1.00 0.12 H new ATOM 0 HA ALA A 75 -6.584 -9.848 -1.896 1.00 71.10 H new ATOM 0 HB1 ALA A 75 -5.321 -7.734 -1.851 1.00 53.33 H new ATOM 0 HB2 ALA A 75 -6.740 -7.674 -0.778 1.00 53.33 H new ATOM 0 HB3 ALA A 75 -5.113 -7.897 -0.091 1.00 53.33 H new ATOM 1132 N SER A 76 -4.154 -10.281 -2.609 1.00 60.13 N ATOM 1133 CA SER A 76 -2.864 -10.842 -3.046 1.00 11.21 C ATOM 1134 C SER A 76 -2.214 -9.923 -4.088 1.00 31.21 C ATOM 1135 O SER A 76 -2.838 -9.557 -5.088 1.00 33.51 O ATOM 1136 CB SER A 76 -3.058 -12.249 -3.646 1.00 53.31 C ATOM 1137 OG SER A 76 -1.826 -12.797 -4.080 1.00 75.41 O ATOM 0 H SER A 76 -4.701 -9.870 -3.366 1.00 60.13 H new ATOM 0 HA SER A 76 -2.212 -10.918 -2.176 1.00 11.21 H new ATOM 0 HB2 SER A 76 -3.508 -12.905 -2.901 1.00 53.31 H new ATOM 0 HB3 SER A 76 -3.751 -12.196 -4.486 1.00 53.31 H new ATOM 0 HG SER A 76 -1.170 -12.744 -3.354 1.00 75.41 H new ATOM 1143 N HIS A 77 -0.960 -9.539 -3.829 1.00 23.44 N ATOM 1144 CA HIS A 77 -0.105 -8.809 -4.793 1.00 71.44 C ATOM 1145 C HIS A 77 1.041 -9.731 -5.284 1.00 3.11 C ATOM 1146 O HIS A 77 1.876 -9.322 -6.096 1.00 22.12 O ATOM 1147 CB HIS A 77 0.456 -7.518 -4.121 1.00 31.42 C ATOM 1148 CG HIS A 77 -0.604 -6.512 -3.684 1.00 5.34 C ATOM 1149 ND1 HIS A 77 -0.571 -5.204 -4.107 1.00 4.02 N ATOM 1150 CD2 HIS A 77 -1.666 -6.666 -2.840 1.00 0.43 C ATOM 1151 CE1 HIS A 77 -1.594 -4.603 -3.522 1.00 4.22 C ATOM 1152 NE2 HIS A 77 -2.285 -5.448 -2.746 1.00 52.20 N ATOM 0 H HIS A 77 -0.498 -9.724 -2.939 1.00 23.44 H new ATOM 0 HA HIS A 77 -0.696 -8.514 -5.660 1.00 71.44 H new ATOM 0 HB2 HIS A 77 1.045 -7.805 -3.250 1.00 31.42 H new ATOM 0 HB3 HIS A 77 1.136 -7.028 -4.818 1.00 31.42 H new ATOM 0 HD2 HIS A 77 -1.962 -7.577 -2.341 1.00 0.43 H new ATOM 0 HE1 HIS A 77 -1.841 -3.560 -3.654 1.00 4.22 H new ATOM 0 HE2 HIS A 77 -3.112 -5.227 -2.192 1.00 52.20 H new ATOM 1160 N MET A 78 1.032 -11.000 -4.799 1.00 63.11 N ATOM 1161 CA MET A 78 2.095 -12.010 -5.048 1.00 2.43 C ATOM 1162 C MET A 78 1.672 -13.389 -4.479 1.00 24.32 C ATOM 1163 O MET A 78 0.798 -13.463 -3.606 1.00 4.44 O ATOM 1164 CB MET A 78 3.432 -11.568 -4.387 1.00 43.24 C ATOM 1165 CG MET A 78 3.335 -11.334 -2.872 1.00 62.30 C ATOM 1166 SD MET A 78 4.909 -10.863 -2.137 1.00 22.14 S ATOM 1167 CE MET A 78 4.420 -10.609 -0.434 1.00 10.25 C ATOM 0 H MET A 78 0.275 -11.356 -4.215 1.00 63.11 H new ATOM 0 HA MET A 78 2.239 -12.093 -6.125 1.00 2.43 H new ATOM 0 HB2 MET A 78 4.189 -12.329 -4.579 1.00 43.24 H new ATOM 0 HB3 MET A 78 3.775 -10.650 -4.864 1.00 43.24 H new ATOM 0 HG2 MET A 78 2.600 -10.554 -2.676 1.00 62.30 H new ATOM 0 HG3 MET A 78 2.972 -12.242 -2.391 1.00 62.30 H new ATOM 0 HE1 MET A 78 4.582 -9.566 -0.161 1.00 10.25 H new ATOM 0 HE2 MET A 78 3.364 -10.855 -0.318 1.00 10.25 H new ATOM 0 HE3 MET A 78 5.015 -11.251 0.215 1.00 10.25 H new ATOM 1177 N LYS A 79 2.317 -14.479 -4.950 1.00 23.22 N ATOM 1178 CA LYS A 79 2.044 -15.842 -4.423 1.00 15.11 C ATOM 1179 C LYS A 79 2.540 -15.972 -2.961 1.00 31.13 C ATOM 1180 O LYS A 79 3.722 -15.738 -2.670 1.00 44.43 O ATOM 1181 CB LYS A 79 2.700 -16.944 -5.299 1.00 53.34 C ATOM 1182 CG LYS A 79 2.300 -16.915 -6.791 1.00 2.24 C ATOM 1183 CD LYS A 79 2.802 -18.154 -7.585 1.00 5.25 C ATOM 1184 CE LYS A 79 4.309 -18.434 -7.407 1.00 60.10 C ATOM 1185 NZ LYS A 79 5.155 -17.269 -7.781 1.00 23.33 N ATOM 0 H LYS A 79 3.023 -14.447 -5.686 1.00 23.22 H new ATOM 0 HA LYS A 79 0.964 -15.986 -4.452 1.00 15.11 H new ATOM 0 HB2 LYS A 79 3.783 -16.848 -5.227 1.00 53.34 H new ATOM 0 HB3 LYS A 79 2.438 -17.919 -4.887 1.00 53.34 H new ATOM 0 HG2 LYS A 79 1.214 -16.858 -6.868 1.00 2.24 H new ATOM 0 HG3 LYS A 79 2.700 -16.011 -7.250 1.00 2.24 H new ATOM 0 HD2 LYS A 79 2.238 -19.031 -7.267 1.00 5.25 H new ATOM 0 HD3 LYS A 79 2.591 -18.006 -8.644 1.00 5.25 H new ATOM 0 HE2 LYS A 79 4.505 -18.702 -6.369 1.00 60.10 H new ATOM 0 HE3 LYS A 79 4.590 -19.293 -8.017 1.00 60.10 H new ATOM 0 HZ1 LYS A 79 6.158 -17.515 -7.659 1.00 23.33 H new ATOM 0 HZ2 LYS A 79 4.978 -17.016 -8.774 1.00 23.33 H new ATOM 0 HZ3 LYS A 79 4.921 -16.460 -7.171 1.00 23.33 H new ATOM 1199 N GLY A 80 1.626 -16.360 -2.058 1.00 72.13 N ATOM 1200 CA GLY A 80 1.929 -16.489 -0.624 1.00 23.22 C ATOM 1201 C GLY A 80 1.558 -15.254 0.202 1.00 45.45 C ATOM 1202 O GLY A 80 2.027 -15.116 1.338 1.00 62.02 O ATOM 0 H GLY A 80 0.662 -16.592 -2.299 1.00 72.13 H new ATOM 0 HA2 GLY A 80 1.397 -17.353 -0.226 1.00 23.22 H new ATOM 0 HA3 GLY A 80 2.994 -16.688 -0.504 1.00 23.22 H new ATOM 1206 N MET A 81 0.724 -14.354 -0.363 1.00 73.45 N ATOM 1207 CA MET A 81 0.213 -13.166 0.365 1.00 11.01 C ATOM 1208 C MET A 81 -1.214 -13.441 0.901 1.00 34.21 C ATOM 1209 O MET A 81 -1.457 -13.358 2.111 1.00 62.53 O ATOM 1210 CB MET A 81 0.235 -11.903 -0.541 1.00 10.40 C ATOM 1211 CG MET A 81 -0.094 -10.597 0.197 1.00 12.33 C ATOM 1212 SD MET A 81 0.029 -9.140 -0.857 1.00 71.22 S ATOM 1213 CE MET A 81 -0.303 -7.827 0.321 1.00 43.25 C ATOM 0 H MET A 81 0.388 -14.426 -1.323 1.00 73.45 H new ATOM 0 HA MET A 81 0.869 -12.973 1.213 1.00 11.01 H new ATOM 0 HB2 MET A 81 1.221 -11.812 -0.996 1.00 10.40 H new ATOM 0 HB3 MET A 81 -0.479 -12.039 -1.353 1.00 10.40 H new ATOM 0 HG2 MET A 81 -1.104 -10.660 0.603 1.00 12.33 H new ATOM 0 HG3 MET A 81 0.583 -10.484 1.043 1.00 12.33 H new ATOM 0 HE1 MET A 81 -0.072 -6.864 -0.133 1.00 43.25 H new ATOM 0 HE2 MET A 81 -1.355 -7.851 0.605 1.00 43.25 H new ATOM 0 HE3 MET A 81 0.316 -7.968 1.207 1.00 43.25 H new ATOM 1223 N LYS A 82 -2.157 -13.765 -0.012 1.00 12.12 N ATOM 1224 CA LYS A 82 -3.512 -14.231 0.377 1.00 61.33 C ATOM 1225 C LYS A 82 -3.433 -15.612 1.065 1.00 32.13 C ATOM 1226 O LYS A 82 -2.777 -16.527 0.555 1.00 73.01 O ATOM 1227 CB LYS A 82 -4.466 -14.300 -0.849 1.00 12.22 C ATOM 1228 CG LYS A 82 -5.830 -14.974 -0.558 1.00 73.14 C ATOM 1229 CD LYS A 82 -6.799 -14.966 -1.760 1.00 73.21 C ATOM 1230 CE LYS A 82 -7.343 -13.564 -2.076 1.00 74.14 C ATOM 1231 NZ LYS A 82 -8.493 -13.603 -3.012 1.00 4.23 N ATOM 0 H LYS A 82 -2.008 -13.714 -1.020 1.00 12.12 H new ATOM 0 HA LYS A 82 -3.919 -13.505 1.081 1.00 61.33 H new ATOM 0 HB2 LYS A 82 -4.644 -13.288 -1.213 1.00 12.22 H new ATOM 0 HB3 LYS A 82 -3.969 -14.845 -1.651 1.00 12.22 H new ATOM 0 HG2 LYS A 82 -5.657 -16.005 -0.250 1.00 73.14 H new ATOM 0 HG3 LYS A 82 -6.304 -14.466 0.282 1.00 73.14 H new ATOM 0 HD2 LYS A 82 -6.285 -15.358 -2.638 1.00 73.21 H new ATOM 0 HD3 LYS A 82 -7.633 -15.636 -1.553 1.00 73.21 H new ATOM 0 HE2 LYS A 82 -7.648 -13.078 -1.149 1.00 74.14 H new ATOM 0 HE3 LYS A 82 -6.547 -12.957 -2.507 1.00 74.14 H new ATOM 0 HZ1 LYS A 82 -8.825 -12.634 -3.195 1.00 4.23 H new ATOM 0 HZ2 LYS A 82 -8.197 -14.042 -3.907 1.00 4.23 H new ATOM 0 HZ3 LYS A 82 -9.264 -14.160 -2.591 1.00 4.23 H new ATOM 1245 N GLY A 83 -4.099 -15.745 2.228 1.00 75.43 N ATOM 1246 CA GLY A 83 -4.063 -16.988 3.012 1.00 51.14 C ATOM 1247 C GLY A 83 -2.932 -17.018 4.045 1.00 53.21 C ATOM 1248 O GLY A 83 -2.949 -17.845 4.961 1.00 73.02 O ATOM 0 H GLY A 83 -4.667 -15.006 2.642 1.00 75.43 H new ATOM 0 HA2 GLY A 83 -5.017 -17.115 3.524 1.00 51.14 H new ATOM 0 HA3 GLY A 83 -3.950 -17.834 2.334 1.00 51.14 H new ATOM 1252 N ALA A 84 -1.943 -16.110 3.897 1.00 13.40 N ATOM 1253 CA ALA A 84 -0.800 -16.001 4.821 1.00 35.31 C ATOM 1254 C ALA A 84 -1.179 -15.241 6.110 1.00 4.23 C ATOM 1255 O ALA A 84 -2.057 -14.371 6.102 1.00 22.34 O ATOM 1256 CB ALA A 84 0.391 -15.317 4.130 1.00 13.02 C ATOM 0 H ALA A 84 -1.917 -15.434 3.134 1.00 13.40 H new ATOM 0 HA ALA A 84 -0.511 -17.013 5.104 1.00 35.31 H new ATOM 0 HB1 ALA A 84 1.225 -15.246 4.828 1.00 13.02 H new ATOM 0 HB2 ALA A 84 0.694 -15.903 3.262 1.00 13.02 H new ATOM 0 HB3 ALA A 84 0.100 -14.317 3.809 1.00 13.02 H new ATOM 1262 N THR A 85 -0.478 -15.574 7.203 1.00 75.03 N ATOM 1263 CA THR A 85 -0.709 -14.980 8.533 1.00 14.00 C ATOM 1264 C THR A 85 0.123 -13.688 8.691 1.00 60.13 C ATOM 1265 O THR A 85 1.358 -13.730 8.636 1.00 51.45 O ATOM 1266 CB THR A 85 -0.346 -15.990 9.673 1.00 44.13 C ATOM 1267 OG1 THR A 85 -1.031 -17.236 9.461 1.00 12.21 O ATOM 1268 CG2 THR A 85 -0.709 -15.455 11.069 1.00 53.51 C ATOM 0 H THR A 85 0.270 -16.267 7.192 1.00 75.03 H new ATOM 0 HA THR A 85 -1.769 -14.738 8.615 1.00 14.00 H new ATOM 0 HB THR A 85 0.734 -16.134 9.637 1.00 44.13 H new ATOM 0 HG1 THR A 85 -0.798 -17.863 10.177 1.00 12.21 H new ATOM 0 HG21 THR A 85 -0.437 -16.193 11.824 1.00 53.51 H new ATOM 0 HG22 THR A 85 -0.167 -14.528 11.256 1.00 53.51 H new ATOM 0 HG23 THR A 85 -1.781 -15.264 11.118 1.00 53.51 H new ATOM 1276 N ALA A 86 -0.567 -12.559 8.896 1.00 64.41 N ATOM 1277 CA ALA A 86 0.048 -11.226 9.039 1.00 34.53 C ATOM 1278 C ALA A 86 -0.237 -10.660 10.439 1.00 51.12 C ATOM 1279 O ALA A 86 -1.277 -10.948 11.020 1.00 74.32 O ATOM 1280 CB ALA A 86 -0.495 -10.287 7.944 1.00 62.13 C ATOM 0 H ALA A 86 -1.584 -12.542 8.969 1.00 64.41 H new ATOM 0 HA ALA A 86 1.128 -11.310 8.922 1.00 34.53 H new ATOM 0 HB1 ALA A 86 -0.040 -9.302 8.051 1.00 62.13 H new ATOM 0 HB2 ALA A 86 -0.253 -10.694 6.962 1.00 62.13 H new ATOM 0 HB3 ALA A 86 -1.577 -10.199 8.044 1.00 62.13 H new ATOM 1286 N GLU A 87 0.678 -9.841 10.972 1.00 35.42 N ATOM 1287 CA GLU A 87 0.489 -9.180 12.281 1.00 63.22 C ATOM 1288 C GLU A 87 0.403 -7.662 12.093 1.00 24.54 C ATOM 1289 O GLU A 87 1.264 -7.068 11.443 1.00 32.20 O ATOM 1290 CB GLU A 87 1.631 -9.524 13.275 1.00 0.41 C ATOM 1291 CG GLU A 87 1.472 -8.858 14.667 1.00 40.00 C ATOM 1292 CD GLU A 87 2.513 -9.326 15.699 1.00 15.35 C ATOM 1293 OE1 GLU A 87 3.699 -8.952 15.578 1.00 44.34 O ATOM 1294 OE2 GLU A 87 2.157 -10.088 16.626 1.00 73.42 O ATOM 0 H GLU A 87 1.563 -9.616 10.518 1.00 35.42 H new ATOM 0 HA GLU A 87 -0.443 -9.552 12.706 1.00 63.22 H new ATOM 0 HB2 GLU A 87 1.675 -10.606 13.403 1.00 0.41 H new ATOM 0 HB3 GLU A 87 2.582 -9.215 12.842 1.00 0.41 H new ATOM 0 HG2 GLU A 87 1.547 -7.777 14.553 1.00 40.00 H new ATOM 0 HG3 GLU A 87 0.474 -9.070 15.049 1.00 40.00 H new ATOM 1301 N ILE A 88 -0.640 -7.048 12.668 1.00 71.32 N ATOM 1302 CA ILE A 88 -0.797 -5.585 12.687 1.00 52.40 C ATOM 1303 C ILE A 88 0.328 -4.956 13.555 1.00 44.21 C ATOM 1304 O ILE A 88 0.358 -5.160 14.772 1.00 4.41 O ATOM 1305 CB ILE A 88 -2.215 -5.170 13.261 1.00 44.31 C ATOM 1306 CG1 ILE A 88 -3.373 -5.944 12.541 1.00 55.32 C ATOM 1307 CG2 ILE A 88 -2.444 -3.633 13.180 1.00 21.02 C ATOM 1308 CD1 ILE A 88 -3.518 -5.671 11.053 1.00 3.13 C ATOM 0 H ILE A 88 -1.398 -7.549 13.132 1.00 71.32 H new ATOM 0 HA ILE A 88 -0.725 -5.216 11.664 1.00 52.40 H new ATOM 0 HB ILE A 88 -2.226 -5.450 14.314 1.00 44.31 H new ATOM 0 HG12 ILE A 88 -3.214 -7.013 12.682 1.00 55.32 H new ATOM 0 HG13 ILE A 88 -4.314 -5.694 13.032 1.00 55.32 H new ATOM 0 HG21 ILE A 88 -3.427 -3.390 13.583 1.00 21.02 H new ATOM 0 HG22 ILE A 88 -1.677 -3.120 13.760 1.00 21.02 H new ATOM 0 HG23 ILE A 88 -2.389 -3.311 12.140 1.00 21.02 H new ATOM 0 HD11 ILE A 88 -4.347 -6.256 10.655 1.00 3.13 H new ATOM 0 HD12 ILE A 88 -3.714 -4.610 10.895 1.00 3.13 H new ATOM 0 HD13 ILE A 88 -2.598 -5.950 10.540 1.00 3.13 H new ATOM 1320 N ASP A 89 1.291 -4.276 12.913 1.00 62.41 N ATOM 1321 CA ASP A 89 2.301 -3.459 13.618 1.00 34.31 C ATOM 1322 C ASP A 89 1.663 -2.143 14.111 1.00 3.23 C ATOM 1323 O ASP A 89 1.939 -1.674 15.223 1.00 65.23 O ATOM 1324 CB ASP A 89 3.485 -3.123 12.679 1.00 21.11 C ATOM 1325 CG ASP A 89 4.149 -4.365 12.077 1.00 11.41 C ATOM 1326 OD1 ASP A 89 4.946 -5.031 12.778 1.00 31.10 O ATOM 1327 OD2 ASP A 89 3.896 -4.668 10.896 1.00 65.31 O ATOM 0 H ASP A 89 1.394 -4.274 11.898 1.00 62.41 H new ATOM 0 HA ASP A 89 2.670 -4.034 14.467 1.00 34.31 H new ATOM 0 HB2 ASP A 89 3.130 -2.482 11.872 1.00 21.11 H new ATOM 0 HB3 ASP A 89 4.230 -2.554 13.234 1.00 21.11 H new ATOM 1332 N SER A 90 0.781 -1.579 13.262 1.00 40.10 N ATOM 1333 CA SER A 90 0.184 -0.244 13.477 1.00 71.43 C ATOM 1334 C SER A 90 -1.091 -0.053 12.625 1.00 43.32 C ATOM 1335 O SER A 90 -1.242 -0.664 11.557 1.00 60.25 O ATOM 1336 CB SER A 90 1.215 0.862 13.136 1.00 45.12 C ATOM 1337 OG SER A 90 0.698 2.158 13.396 1.00 43.41 O ATOM 0 H SER A 90 0.462 -2.036 12.408 1.00 40.10 H new ATOM 0 HA SER A 90 -0.096 -0.168 14.528 1.00 71.43 H new ATOM 0 HB2 SER A 90 2.122 0.708 13.721 1.00 45.12 H new ATOM 0 HB3 SER A 90 1.496 0.786 12.086 1.00 45.12 H new ATOM 0 HG SER A 90 1.374 2.831 13.172 1.00 43.41 H new ATOM 1343 N ALA A 91 -2.004 0.805 13.112 1.00 14.43 N ATOM 1344 CA ALA A 91 -3.237 1.197 12.392 1.00 62.24 C ATOM 1345 C ALA A 91 -3.356 2.733 12.344 1.00 52.23 C ATOM 1346 O ALA A 91 -3.207 3.407 13.370 1.00 72.41 O ATOM 1347 CB ALA A 91 -4.470 0.578 13.066 1.00 63.12 C ATOM 0 H ALA A 91 -1.910 1.252 14.024 1.00 14.43 H new ATOM 0 HA ALA A 91 -3.183 0.821 11.370 1.00 62.24 H new ATOM 0 HB1 ALA A 91 -5.368 0.876 12.525 1.00 63.12 H new ATOM 0 HB2 ALA A 91 -4.383 -0.508 13.056 1.00 63.12 H new ATOM 0 HB3 ALA A 91 -4.535 0.927 14.097 1.00 63.12 H new ATOM 1353 N GLU A 92 -3.654 3.276 11.156 1.00 60.43 N ATOM 1354 CA GLU A 92 -3.628 4.734 10.896 1.00 54.23 C ATOM 1355 C GLU A 92 -4.883 5.191 10.119 1.00 31.02 C ATOM 1356 O GLU A 92 -5.391 4.464 9.268 1.00 12.41 O ATOM 1357 CB GLU A 92 -2.337 5.079 10.092 1.00 54.04 C ATOM 1358 CG GLU A 92 -2.088 6.583 9.849 1.00 25.54 C ATOM 1359 CD GLU A 92 -2.004 7.399 11.154 1.00 41.11 C ATOM 1360 OE1 GLU A 92 -0.987 7.289 11.873 1.00 63.52 O ATOM 1361 OE2 GLU A 92 -2.952 8.151 11.470 1.00 31.44 O ATOM 0 H GLU A 92 -3.921 2.722 10.343 1.00 60.43 H new ATOM 0 HA GLU A 92 -3.626 5.263 11.849 1.00 54.23 H new ATOM 0 HB2 GLU A 92 -1.478 4.667 10.623 1.00 54.04 H new ATOM 0 HB3 GLU A 92 -2.386 4.576 9.126 1.00 54.04 H new ATOM 0 HG2 GLU A 92 -1.161 6.706 9.290 1.00 25.54 H new ATOM 0 HG3 GLU A 92 -2.890 6.983 9.228 1.00 25.54 H new ATOM 1368 N LYS A 93 -5.388 6.398 10.433 1.00 71.10 N ATOM 1369 CA LYS A 93 -6.449 7.055 9.639 1.00 62.10 C ATOM 1370 C LYS A 93 -5.792 8.075 8.683 1.00 71.24 C ATOM 1371 O LYS A 93 -5.512 9.218 9.063 1.00 20.31 O ATOM 1372 CB LYS A 93 -7.467 7.750 10.581 1.00 25.43 C ATOM 1373 CG LYS A 93 -8.180 6.805 11.574 1.00 55.45 C ATOM 1374 CD LYS A 93 -9.126 5.798 10.879 1.00 60.32 C ATOM 1375 CE LYS A 93 -9.854 4.885 11.882 1.00 14.54 C ATOM 1376 NZ LYS A 93 -10.933 4.108 11.233 1.00 22.41 N ATOM 0 H LYS A 93 -5.077 6.944 11.237 1.00 71.10 H new ATOM 0 HA LYS A 93 -6.992 6.314 9.053 1.00 62.10 H new ATOM 0 HB2 LYS A 93 -6.948 8.524 11.146 1.00 25.43 H new ATOM 0 HB3 LYS A 93 -8.220 8.251 9.973 1.00 25.43 H new ATOM 0 HG2 LYS A 93 -7.431 6.256 12.146 1.00 55.45 H new ATOM 0 HG3 LYS A 93 -8.752 7.400 12.286 1.00 55.45 H new ATOM 0 HD2 LYS A 93 -9.862 6.344 10.289 1.00 60.32 H new ATOM 0 HD3 LYS A 93 -8.552 5.185 10.185 1.00 60.32 H new ATOM 0 HE2 LYS A 93 -9.138 4.202 12.338 1.00 14.54 H new ATOM 0 HE3 LYS A 93 -10.274 5.490 12.686 1.00 14.54 H new ATOM 0 HZ1 LYS A 93 -11.344 3.444 11.920 1.00 22.41 H new ATOM 0 HZ2 LYS A 93 -11.672 4.756 10.894 1.00 22.41 H new ATOM 0 HZ3 LYS A 93 -10.543 3.577 10.429 1.00 22.41 H new ATOM 1390 N THR A 94 -5.520 7.631 7.447 1.00 74.21 N ATOM 1391 CA THR A 94 -4.788 8.429 6.432 1.00 41.25 C ATOM 1392 C THR A 94 -5.458 8.314 5.053 1.00 42.23 C ATOM 1393 O THR A 94 -6.159 7.330 4.772 1.00 61.24 O ATOM 1394 CB THR A 94 -3.280 7.996 6.328 1.00 12.24 C ATOM 1395 OG1 THR A 94 -2.599 8.770 5.321 1.00 71.21 O ATOM 1396 CG2 THR A 94 -3.111 6.496 6.018 1.00 41.12 C ATOM 0 H THR A 94 -5.799 6.708 7.115 1.00 74.21 H new ATOM 0 HA THR A 94 -4.823 9.468 6.759 1.00 41.25 H new ATOM 0 HB THR A 94 -2.838 8.185 7.306 1.00 12.24 H new ATOM 0 HG1 THR A 94 -1.662 8.489 5.271 1.00 71.21 H new ATOM 0 HG21 THR A 94 -2.050 6.254 5.958 1.00 41.12 H new ATOM 0 HG22 THR A 94 -3.573 5.906 6.810 1.00 41.12 H new ATOM 0 HG23 THR A 94 -3.590 6.265 5.067 1.00 41.12 H new ATOM 1404 N THR A 95 -5.238 9.321 4.191 1.00 22.42 N ATOM 1405 CA THR A 95 -5.722 9.288 2.804 1.00 21.13 C ATOM 1406 C THR A 95 -4.709 8.513 1.932 1.00 33.11 C ATOM 1407 O THR A 95 -3.540 8.901 1.827 1.00 54.21 O ATOM 1408 CB THR A 95 -5.943 10.729 2.227 1.00 32.43 C ATOM 1409 OG1 THR A 95 -6.748 11.495 3.141 1.00 11.22 O ATOM 1410 CG2 THR A 95 -6.644 10.698 0.848 1.00 1.43 C ATOM 0 H THR A 95 -4.726 10.170 4.433 1.00 22.42 H new ATOM 0 HA THR A 95 -6.689 8.784 2.791 1.00 21.13 H new ATOM 0 HB THR A 95 -4.962 11.187 2.101 1.00 32.43 H new ATOM 0 HG1 THR A 95 -7.386 10.902 3.591 1.00 11.22 H new ATOM 0 HG21 THR A 95 -6.778 11.717 0.485 1.00 1.43 H new ATOM 0 HG22 THR A 95 -6.032 10.138 0.141 1.00 1.43 H new ATOM 0 HG23 THR A 95 -7.617 10.217 0.945 1.00 1.43 H new ATOM 1418 N VAL A 96 -5.165 7.412 1.317 1.00 20.00 N ATOM 1419 CA VAL A 96 -4.341 6.559 0.445 1.00 3.45 C ATOM 1420 C VAL A 96 -4.768 6.776 -1.020 1.00 1.43 C ATOM 1421 O VAL A 96 -5.961 6.851 -1.330 1.00 53.24 O ATOM 1422 CB VAL A 96 -4.440 5.033 0.828 1.00 53.12 C ATOM 1423 CG1 VAL A 96 -3.740 4.756 2.181 1.00 21.32 C ATOM 1424 CG2 VAL A 96 -5.914 4.548 0.859 1.00 60.13 C ATOM 0 H VAL A 96 -6.126 7.084 1.411 1.00 20.00 H new ATOM 0 HA VAL A 96 -3.298 6.846 0.579 1.00 3.45 H new ATOM 0 HB VAL A 96 -3.923 4.466 0.054 1.00 53.12 H new ATOM 0 HG11 VAL A 96 -3.822 3.696 2.423 1.00 21.32 H new ATOM 0 HG12 VAL A 96 -2.688 5.031 2.109 1.00 21.32 H new ATOM 0 HG13 VAL A 96 -4.217 5.345 2.965 1.00 21.32 H new ATOM 0 HG21 VAL A 96 -5.944 3.492 1.126 1.00 60.13 H new ATOM 0 HG22 VAL A 96 -6.471 5.125 1.597 1.00 60.13 H new ATOM 0 HG23 VAL A 96 -6.363 4.686 -0.124 1.00 60.13 H new ATOM 1434 N TYR A 97 -3.789 6.916 -1.910 1.00 40.23 N ATOM 1435 CA TYR A 97 -4.035 7.237 -3.322 1.00 33.24 C ATOM 1436 C TYR A 97 -3.724 6.039 -4.234 1.00 1.42 C ATOM 1437 O TYR A 97 -2.720 5.341 -4.061 1.00 43.13 O ATOM 1438 CB TYR A 97 -3.181 8.458 -3.737 1.00 33.12 C ATOM 1439 CG TYR A 97 -3.464 9.716 -2.902 1.00 20.33 C ATOM 1440 CD1 TYR A 97 -4.464 10.618 -3.270 1.00 64.00 C ATOM 1441 CD2 TYR A 97 -2.747 9.988 -1.735 1.00 22.10 C ATOM 1442 CE1 TYR A 97 -4.728 11.742 -2.514 1.00 35.24 C ATOM 1443 CE2 TYR A 97 -3.015 11.108 -0.980 1.00 55.40 C ATOM 1444 CZ TYR A 97 -4.004 11.983 -1.371 1.00 51.20 C ATOM 1445 OH TYR A 97 -4.264 13.107 -0.617 1.00 72.52 O ATOM 0 H TYR A 97 -2.801 6.811 -1.677 1.00 40.23 H new ATOM 0 HA TYR A 97 -5.092 7.476 -3.436 1.00 33.24 H new ATOM 0 HB2 TYR A 97 -2.126 8.201 -3.646 1.00 33.12 H new ATOM 0 HB3 TYR A 97 -3.366 8.680 -4.788 1.00 33.12 H new ATOM 0 HD1 TYR A 97 -5.042 10.433 -4.163 1.00 64.00 H new ATOM 0 HD2 TYR A 97 -1.969 9.309 -1.419 1.00 22.10 H new ATOM 0 HE1 TYR A 97 -5.502 12.431 -2.820 1.00 35.24 H new ATOM 0 HE2 TYR A 97 -2.449 11.300 -0.080 1.00 55.40 H new ATOM 0 HH TYR A 97 -3.435 13.613 -0.487 1.00 72.52 H new ATOM 1455 N MET A 98 -4.627 5.803 -5.183 1.00 33.13 N ATOM 1456 CA MET A 98 -4.403 4.902 -6.313 1.00 43.24 C ATOM 1457 C MET A 98 -3.801 5.743 -7.459 1.00 21.52 C ATOM 1458 O MET A 98 -4.479 6.627 -7.987 1.00 74.14 O ATOM 1459 CB MET A 98 -5.759 4.270 -6.716 1.00 31.15 C ATOM 1460 CG MET A 98 -5.693 3.286 -7.875 1.00 24.35 C ATOM 1461 SD MET A 98 -7.299 2.559 -8.263 1.00 55.31 S ATOM 1462 CE MET A 98 -8.298 3.998 -8.675 1.00 14.51 C ATOM 0 H MET A 98 -5.549 6.239 -5.189 1.00 33.13 H new ATOM 0 HA MET A 98 -3.716 4.092 -6.066 1.00 43.24 H new ATOM 0 HB2 MET A 98 -6.176 3.758 -5.849 1.00 31.15 H new ATOM 0 HB3 MET A 98 -6.452 5.070 -6.978 1.00 31.15 H new ATOM 0 HG2 MET A 98 -5.307 3.796 -8.758 1.00 24.35 H new ATOM 0 HG3 MET A 98 -4.988 2.491 -7.632 1.00 24.35 H new ATOM 0 HE1 MET A 98 -9.125 3.695 -9.317 1.00 14.51 H new ATOM 0 HE2 MET A 98 -8.692 4.441 -7.761 1.00 14.51 H new ATOM 0 HE3 MET A 98 -7.683 4.731 -9.197 1.00 14.51 H new ATOM 1472 N VAL A 99 -2.515 5.511 -7.811 1.00 33.44 N ATOM 1473 CA VAL A 99 -1.765 6.402 -8.747 1.00 42.30 C ATOM 1474 C VAL A 99 -1.179 5.655 -9.973 1.00 55.05 C ATOM 1475 O VAL A 99 -0.740 4.512 -9.879 1.00 40.40 O ATOM 1476 CB VAL A 99 -0.615 7.203 -8.007 1.00 34.43 C ATOM 1477 CG1 VAL A 99 -1.197 8.175 -6.945 1.00 44.15 C ATOM 1478 CG2 VAL A 99 0.451 6.261 -7.373 1.00 61.13 C ATOM 0 H VAL A 99 -1.971 4.720 -7.466 1.00 33.44 H new ATOM 0 HA VAL A 99 -2.507 7.108 -9.120 1.00 42.30 H new ATOM 0 HB VAL A 99 -0.107 7.794 -8.769 1.00 34.43 H new ATOM 0 HG11 VAL A 99 -0.383 8.709 -6.456 1.00 44.15 H new ATOM 0 HG12 VAL A 99 -1.860 8.891 -7.431 1.00 44.15 H new ATOM 0 HG13 VAL A 99 -1.758 7.608 -6.202 1.00 44.15 H new ATOM 0 HG21 VAL A 99 1.217 6.859 -6.878 1.00 61.13 H new ATOM 0 HG22 VAL A 99 -0.028 5.609 -6.643 1.00 61.13 H new ATOM 0 HG23 VAL A 99 0.912 5.655 -8.153 1.00 61.13 H new ATOM 1488 N ASP A 100 -1.168 6.350 -11.121 1.00 2.45 N ATOM 1489 CA ASP A 100 -0.631 5.855 -12.404 1.00 21.32 C ATOM 1490 C ASP A 100 0.669 6.632 -12.719 1.00 5.01 C ATOM 1491 O ASP A 100 0.624 7.856 -12.882 1.00 34.33 O ATOM 1492 CB ASP A 100 -1.711 6.097 -13.496 1.00 54.15 C ATOM 1493 CG ASP A 100 -1.359 5.528 -14.881 1.00 55.10 C ATOM 1494 OD1 ASP A 100 -0.460 6.068 -15.554 1.00 33.15 O ATOM 1495 OD2 ASP A 100 -2.007 4.562 -15.318 1.00 4.13 O ATOM 0 H ASP A 100 -1.541 7.297 -11.187 1.00 2.45 H new ATOM 0 HA ASP A 100 -0.397 4.791 -12.364 1.00 21.32 H new ATOM 0 HB2 ASP A 100 -2.650 5.655 -13.164 1.00 54.15 H new ATOM 0 HB3 ASP A 100 -1.880 7.170 -13.590 1.00 54.15 H new ATOM 1500 N TYR A 101 1.818 5.939 -12.813 1.00 44.12 N ATOM 1501 CA TYR A 101 3.130 6.610 -12.995 1.00 10.42 C ATOM 1502 C TYR A 101 4.056 5.878 -13.987 1.00 41.52 C ATOM 1503 O TYR A 101 3.834 4.717 -14.342 1.00 44.45 O ATOM 1504 CB TYR A 101 3.838 6.802 -11.619 1.00 14.30 C ATOM 1505 CG TYR A 101 4.182 5.516 -10.844 1.00 53.24 C ATOM 1506 CD1 TYR A 101 5.411 4.865 -11.022 1.00 51.42 C ATOM 1507 CD2 TYR A 101 3.288 4.964 -9.917 1.00 13.21 C ATOM 1508 CE1 TYR A 101 5.730 3.724 -10.315 1.00 43.54 C ATOM 1509 CE2 TYR A 101 3.609 3.823 -9.204 1.00 1.43 C ATOM 1510 CZ TYR A 101 4.829 3.207 -9.409 1.00 41.43 C ATOM 1511 OH TYR A 101 5.148 2.062 -8.704 1.00 32.22 O ATOM 0 H TYR A 101 1.871 4.921 -12.767 1.00 44.12 H new ATOM 0 HA TYR A 101 2.922 7.586 -13.434 1.00 10.42 H new ATOM 0 HB2 TYR A 101 4.760 7.360 -11.783 1.00 14.30 H new ATOM 0 HB3 TYR A 101 3.199 7.421 -10.989 1.00 14.30 H new ATOM 0 HD1 TYR A 101 6.123 5.265 -11.728 1.00 51.42 H new ATOM 0 HD2 TYR A 101 2.331 5.438 -9.756 1.00 13.21 H new ATOM 0 HE1 TYR A 101 6.682 3.238 -10.471 1.00 43.54 H new ATOM 0 HE2 TYR A 101 2.909 3.415 -8.490 1.00 1.43 H new ATOM 0 HH TYR A 101 6.109 1.888 -8.781 1.00 32.22 H new ATOM 1521 N THR A 102 5.125 6.586 -14.394 1.00 33.34 N ATOM 1522 CA THR A 102 6.177 6.049 -15.279 1.00 15.11 C ATOM 1523 C THR A 102 7.400 5.644 -14.431 1.00 31.34 C ATOM 1524 O THR A 102 8.089 6.518 -13.885 1.00 55.03 O ATOM 1525 CB THR A 102 6.619 7.109 -16.354 1.00 54.35 C ATOM 1526 OG1 THR A 102 5.472 7.572 -17.082 1.00 1.21 O ATOM 1527 CG2 THR A 102 7.656 6.546 -17.352 1.00 55.44 C ATOM 0 H THR A 102 5.285 7.554 -14.116 1.00 33.34 H new ATOM 0 HA THR A 102 5.773 5.181 -15.801 1.00 15.11 H new ATOM 0 HB THR A 102 7.089 7.931 -15.814 1.00 54.35 H new ATOM 0 HG1 THR A 102 5.753 8.233 -17.749 1.00 1.21 H new ATOM 0 HG21 THR A 102 7.926 7.319 -18.071 1.00 55.44 H new ATOM 0 HG22 THR A 102 8.547 6.228 -16.810 1.00 55.44 H new ATOM 0 HG23 THR A 102 7.228 5.693 -17.879 1.00 55.44 H new ATOM 1535 N SER A 103 7.639 4.323 -14.307 1.00 44.24 N ATOM 1536 CA SER A 103 8.807 3.772 -13.579 1.00 64.21 C ATOM 1537 C SER A 103 10.132 4.303 -14.167 1.00 14.14 C ATOM 1538 O SER A 103 10.547 3.884 -15.234 1.00 32.54 O ATOM 1539 CB SER A 103 8.809 2.223 -13.607 1.00 65.33 C ATOM 1540 OG SER A 103 7.654 1.697 -12.990 1.00 50.44 O ATOM 0 H SER A 103 7.032 3.607 -14.706 1.00 44.24 H new ATOM 0 HA SER A 103 8.724 4.103 -12.544 1.00 64.21 H new ATOM 0 HB2 SER A 103 8.863 1.876 -14.639 1.00 65.33 H new ATOM 0 HB3 SER A 103 9.698 1.849 -13.098 1.00 65.33 H new ATOM 0 HG SER A 103 7.682 0.718 -13.024 1.00 50.44 H new ATOM 1546 N THR A 104 10.779 5.223 -13.441 1.00 54.50 N ATOM 1547 CA THR A 104 12.041 5.885 -13.870 1.00 51.04 C ATOM 1548 C THR A 104 13.219 4.891 -14.071 1.00 23.34 C ATOM 1549 O THR A 104 14.152 5.184 -14.823 1.00 75.04 O ATOM 1550 CB THR A 104 12.453 6.980 -12.834 1.00 4.34 C ATOM 1551 OG1 THR A 104 12.538 6.388 -11.530 1.00 75.04 O ATOM 1552 CG2 THR A 104 11.445 8.144 -12.801 1.00 10.23 C ATOM 0 H THR A 104 10.448 5.539 -12.530 1.00 54.50 H new ATOM 0 HA THR A 104 11.836 6.338 -14.840 1.00 51.04 H new ATOM 0 HB THR A 104 13.420 7.383 -13.135 1.00 4.34 H new ATOM 0 HG1 THR A 104 12.327 7.062 -10.850 1.00 75.04 H new ATOM 0 HG21 THR A 104 11.767 8.884 -12.068 1.00 10.23 H new ATOM 0 HG22 THR A 104 11.392 8.608 -13.786 1.00 10.23 H new ATOM 0 HG23 THR A 104 10.461 7.765 -12.525 1.00 10.23 H new ATOM 1560 N THR A 105 13.149 3.712 -13.414 1.00 13.11 N ATOM 1561 CA THR A 105 14.187 2.648 -13.522 1.00 43.20 C ATOM 1562 C THR A 105 14.282 2.017 -14.944 1.00 14.11 C ATOM 1563 O THR A 105 15.347 1.524 -15.333 1.00 51.24 O ATOM 1564 CB THR A 105 13.940 1.496 -12.479 1.00 73.23 C ATOM 1565 OG1 THR A 105 15.026 0.552 -12.506 1.00 63.34 O ATOM 1566 CG2 THR A 105 12.615 0.739 -12.732 1.00 25.30 C ATOM 0 H THR A 105 12.377 3.466 -12.795 1.00 13.11 H new ATOM 0 HA THR A 105 15.130 3.152 -13.311 1.00 43.20 H new ATOM 0 HB THR A 105 13.876 1.974 -11.501 1.00 73.23 H new ATOM 0 HG1 THR A 105 14.859 -0.158 -11.851 1.00 63.34 H new ATOM 0 HG21 THR A 105 12.495 -0.045 -11.984 1.00 25.30 H new ATOM 0 HG22 THR A 105 11.779 1.436 -12.665 1.00 25.30 H new ATOM 0 HG23 THR A 105 12.636 0.292 -13.726 1.00 25.30 H new ATOM 1574 N SER A 106 13.175 2.053 -15.716 1.00 51.23 N ATOM 1575 CA SER A 106 13.052 1.298 -17.000 1.00 64.20 C ATOM 1576 C SER A 106 12.274 2.088 -18.085 1.00 73.42 C ATOM 1577 O SER A 106 12.656 2.093 -19.257 1.00 41.01 O ATOM 1578 CB SER A 106 12.352 -0.058 -16.736 1.00 1.33 C ATOM 1579 OG SER A 106 12.224 -0.830 -17.919 1.00 74.04 O ATOM 0 H SER A 106 12.345 2.597 -15.478 1.00 51.23 H new ATOM 0 HA SER A 106 14.060 1.137 -17.382 1.00 64.20 H new ATOM 0 HB2 SER A 106 12.920 -0.621 -15.996 1.00 1.33 H new ATOM 0 HB3 SER A 106 11.364 0.121 -16.311 1.00 1.33 H new ATOM 0 HG SER A 106 11.779 -1.678 -17.710 1.00 74.04 H new ATOM 1585 N GLY A 107 11.173 2.735 -17.676 1.00 14.45 N ATOM 1586 CA GLY A 107 10.276 3.470 -18.594 1.00 2.01 C ATOM 1587 C GLY A 107 8.861 2.870 -18.666 1.00 63.35 C ATOM 1588 O GLY A 107 7.959 3.473 -19.261 1.00 71.12 O ATOM 0 H GLY A 107 10.875 2.766 -16.701 1.00 14.45 H new ATOM 0 HA2 GLY A 107 10.207 4.509 -18.271 1.00 2.01 H new ATOM 0 HA3 GLY A 107 10.713 3.475 -19.593 1.00 2.01 H new ATOM 1592 N GLU A 108 8.673 1.681 -18.055 1.00 34.01 N ATOM 1593 CA GLU A 108 7.366 0.973 -18.004 1.00 52.44 C ATOM 1594 C GLU A 108 6.338 1.714 -17.102 1.00 53.01 C ATOM 1595 O GLU A 108 6.682 2.209 -16.030 1.00 13.30 O ATOM 1596 CB GLU A 108 7.585 -0.484 -17.491 1.00 32.42 C ATOM 1597 CG GLU A 108 6.304 -1.341 -17.331 1.00 33.14 C ATOM 1598 CD GLU A 108 5.540 -1.574 -18.651 1.00 64.22 C ATOM 1599 OE1 GLU A 108 5.919 -2.486 -19.409 1.00 54.42 O ATOM 1600 OE2 GLU A 108 4.552 -0.853 -18.932 1.00 55.25 O ATOM 0 H GLU A 108 9.423 1.179 -17.580 1.00 34.01 H new ATOM 0 HA GLU A 108 6.953 0.952 -19.012 1.00 52.44 H new ATOM 0 HB2 GLU A 108 8.258 -0.995 -18.180 1.00 32.42 H new ATOM 0 HB3 GLU A 108 8.091 -0.438 -16.527 1.00 32.42 H new ATOM 0 HG2 GLU A 108 6.575 -2.307 -16.904 1.00 33.14 H new ATOM 0 HG3 GLU A 108 5.639 -0.853 -16.619 1.00 33.14 H new ATOM 1607 N LYS A 109 5.073 1.763 -17.553 1.00 21.04 N ATOM 1608 CA LYS A 109 3.971 2.429 -16.820 1.00 54.45 C ATOM 1609 C LYS A 109 3.343 1.477 -15.767 1.00 14.33 C ATOM 1610 O LYS A 109 2.750 0.453 -16.126 1.00 51.41 O ATOM 1611 CB LYS A 109 2.872 2.903 -17.821 1.00 22.54 C ATOM 1612 CG LYS A 109 3.395 3.716 -19.027 1.00 51.22 C ATOM 1613 CD LYS A 109 4.129 5.010 -18.614 1.00 74.12 C ATOM 1614 CE LYS A 109 4.759 5.743 -19.813 1.00 12.14 C ATOM 1615 NZ LYS A 109 5.778 4.910 -20.510 1.00 31.23 N ATOM 0 H LYS A 109 4.781 1.343 -18.436 1.00 21.04 H new ATOM 0 HA LYS A 109 4.386 3.292 -16.299 1.00 54.45 H new ATOM 0 HB2 LYS A 109 2.340 2.028 -18.195 1.00 22.54 H new ATOM 0 HB3 LYS A 109 2.146 3.510 -17.280 1.00 22.54 H new ATOM 0 HG2 LYS A 109 4.072 3.093 -19.612 1.00 51.22 H new ATOM 0 HG3 LYS A 109 2.557 3.972 -19.675 1.00 51.22 H new ATOM 0 HD2 LYS A 109 3.427 5.677 -18.113 1.00 74.12 H new ATOM 0 HD3 LYS A 109 4.908 4.766 -17.892 1.00 74.12 H new ATOM 0 HE2 LYS A 109 3.976 6.022 -20.518 1.00 12.14 H new ATOM 0 HE3 LYS A 109 5.222 6.668 -19.469 1.00 12.14 H new ATOM 0 HZ1 LYS A 109 6.316 5.503 -21.173 1.00 31.23 H new ATOM 0 HZ2 LYS A 109 6.427 4.497 -19.810 1.00 31.23 H new ATOM 0 HZ3 LYS A 109 5.303 4.147 -21.034 1.00 31.23 H new ATOM 1629 N VAL A 110 3.482 1.815 -14.469 1.00 34.44 N ATOM 1630 CA VAL A 110 2.768 1.100 -13.383 1.00 45.32 C ATOM 1631 C VAL A 110 1.404 1.785 -13.176 1.00 52.04 C ATOM 1632 O VAL A 110 1.312 2.882 -12.606 1.00 41.52 O ATOM 1633 CB VAL A 110 3.582 1.049 -12.036 1.00 33.33 C ATOM 1634 CG1 VAL A 110 2.758 0.391 -10.886 1.00 73.12 C ATOM 1635 CG2 VAL A 110 4.924 0.304 -12.239 1.00 13.12 C ATOM 0 H VAL A 110 4.079 2.575 -14.144 1.00 34.44 H new ATOM 0 HA VAL A 110 2.637 0.060 -13.683 1.00 45.32 H new ATOM 0 HB VAL A 110 3.793 2.077 -11.741 1.00 33.33 H new ATOM 0 HG11 VAL A 110 3.355 0.375 -9.974 1.00 73.12 H new ATOM 0 HG12 VAL A 110 1.849 0.967 -10.714 1.00 73.12 H new ATOM 0 HG13 VAL A 110 2.494 -0.629 -11.165 1.00 73.12 H new ATOM 0 HG21 VAL A 110 5.472 0.279 -11.297 1.00 13.12 H new ATOM 0 HG22 VAL A 110 4.728 -0.715 -12.572 1.00 13.12 H new ATOM 0 HG23 VAL A 110 5.518 0.823 -12.991 1.00 13.12 H new ATOM 1645 N LYS A 111 0.348 1.120 -13.661 1.00 3.20 N ATOM 1646 CA LYS A 111 -0.990 1.715 -13.785 1.00 21.41 C ATOM 1647 C LYS A 111 -1.845 1.400 -12.540 1.00 21.15 C ATOM 1648 O LYS A 111 -1.901 0.244 -12.112 1.00 14.33 O ATOM 1649 CB LYS A 111 -1.679 1.206 -15.085 1.00 74.22 C ATOM 1650 CG LYS A 111 -0.778 1.293 -16.351 1.00 2.52 C ATOM 1651 CD LYS A 111 -1.568 1.231 -17.685 1.00 71.55 C ATOM 1652 CE LYS A 111 -2.395 2.509 -17.939 1.00 21.41 C ATOM 1653 NZ LYS A 111 -3.054 2.511 -19.273 1.00 4.02 N ATOM 0 H LYS A 111 0.397 0.152 -13.979 1.00 3.20 H new ATOM 0 HA LYS A 111 -0.890 2.798 -13.850 1.00 21.41 H new ATOM 0 HB2 LYS A 111 -1.986 0.170 -14.940 1.00 74.22 H new ATOM 0 HB3 LYS A 111 -2.586 1.787 -15.255 1.00 74.22 H new ATOM 0 HG2 LYS A 111 -0.210 2.223 -16.318 1.00 2.52 H new ATOM 0 HG3 LYS A 111 -0.056 0.477 -16.329 1.00 2.52 H new ATOM 0 HD2 LYS A 111 -0.871 1.082 -18.510 1.00 71.55 H new ATOM 0 HD3 LYS A 111 -2.233 0.368 -17.670 1.00 71.55 H new ATOM 0 HE2 LYS A 111 -3.154 2.606 -17.163 1.00 21.41 H new ATOM 0 HE3 LYS A 111 -1.744 3.380 -17.858 1.00 21.41 H new ATOM 0 HZ1 LYS A 111 -3.596 3.391 -19.391 1.00 4.02 H new ATOM 0 HZ2 LYS A 111 -2.331 2.447 -20.018 1.00 4.02 H new ATOM 0 HZ3 LYS A 111 -3.697 1.697 -19.344 1.00 4.02 H new ATOM 1667 N ASN A 112 -2.500 2.445 -11.973 1.00 52.24 N ATOM 1668 CA ASN A 112 -3.391 2.359 -10.771 1.00 62.51 C ATOM 1669 C ASN A 112 -2.802 1.508 -9.590 1.00 62.05 C ATOM 1670 O ASN A 112 -3.435 0.574 -9.079 1.00 14.41 O ATOM 1671 CB ASN A 112 -4.861 1.957 -11.151 1.00 63.11 C ATOM 1672 CG ASN A 112 -5.012 0.630 -11.902 1.00 62.44 C ATOM 1673 OD1 ASN A 112 -5.173 -0.430 -11.308 1.00 74.42 O ATOM 1674 ND2 ASN A 112 -4.975 0.684 -13.220 1.00 41.22 N ATOM 0 H ASN A 112 -2.427 3.394 -12.341 1.00 52.24 H new ATOM 0 HA ASN A 112 -3.437 3.372 -10.372 1.00 62.51 H new ATOM 0 HB2 ASN A 112 -5.452 1.906 -10.237 1.00 63.11 H new ATOM 0 HB3 ASN A 112 -5.289 2.751 -11.763 1.00 63.11 H new ATOM 0 HD21 ASN A 112 -5.082 -0.169 -13.769 1.00 41.22 H new ATOM 0 HD22 ASN A 112 -4.840 1.579 -13.690 1.00 41.22 H new ATOM 1681 N HIS A 113 -1.562 1.869 -9.195 1.00 33.20 N ATOM 1682 CA HIS A 113 -0.831 1.264 -8.042 1.00 64.12 C ATOM 1683 C HIS A 113 -1.608 1.392 -6.698 1.00 41.11 C ATOM 1684 O HIS A 113 -2.202 2.437 -6.406 1.00 60.32 O ATOM 1685 CB HIS A 113 0.577 1.917 -7.898 1.00 31.01 C ATOM 1686 CG HIS A 113 1.365 1.438 -6.690 1.00 4.44 C ATOM 1687 ND1 HIS A 113 1.971 0.205 -6.671 1.00 75.45 N ATOM 1688 CD2 HIS A 113 1.552 2.034 -5.481 1.00 51.31 C ATOM 1689 CE1 HIS A 113 2.498 0.075 -5.464 1.00 50.05 C ATOM 1690 NE2 HIS A 113 2.270 1.157 -4.711 1.00 24.01 N ATOM 0 H HIS A 113 -1.027 2.597 -9.669 1.00 33.20 H new ATOM 0 HA HIS A 113 -0.731 0.200 -8.257 1.00 64.12 H new ATOM 0 HB2 HIS A 113 1.154 1.711 -8.799 1.00 31.01 H new ATOM 0 HB3 HIS A 113 0.459 2.999 -7.835 1.00 31.01 H new ATOM 0 HD2 HIS A 113 1.201 3.012 -5.185 1.00 51.31 H new ATOM 0 HE1 HIS A 113 3.043 -0.795 -5.129 1.00 50.05 H new ATOM 0 HE2 HIS A 113 2.573 1.302 -3.748 1.00 24.01 H new ATOM 1698 N LYS A 114 -1.569 0.313 -5.885 1.00 44.13 N ATOM 1699 CA LYS A 114 -2.213 0.250 -4.548 1.00 15.21 C ATOM 1700 C LYS A 114 -1.220 -0.306 -3.470 1.00 45.41 C ATOM 1701 O LYS A 114 -0.622 -1.358 -3.690 1.00 54.51 O ATOM 1702 CB LYS A 114 -3.462 -0.680 -4.607 1.00 51.34 C ATOM 1703 CG LYS A 114 -4.583 -0.232 -5.577 1.00 45.04 C ATOM 1704 CD LYS A 114 -5.778 -1.217 -5.587 1.00 3.15 C ATOM 1705 CE LYS A 114 -6.869 -0.818 -6.595 1.00 13.43 C ATOM 1706 NZ LYS A 114 -7.491 0.491 -6.270 1.00 71.12 N ATOM 0 H LYS A 114 -1.086 -0.549 -6.138 1.00 44.13 H new ATOM 0 HA LYS A 114 -2.508 1.262 -4.269 1.00 15.21 H new ATOM 0 HB2 LYS A 114 -3.136 -1.680 -4.894 1.00 51.34 H new ATOM 0 HB3 LYS A 114 -3.883 -0.758 -3.605 1.00 51.34 H new ATOM 0 HG2 LYS A 114 -4.934 0.759 -5.290 1.00 45.04 H new ATOM 0 HG3 LYS A 114 -4.176 -0.147 -6.585 1.00 45.04 H new ATOM 0 HD2 LYS A 114 -5.417 -2.217 -5.826 1.00 3.15 H new ATOM 0 HD3 LYS A 114 -6.212 -1.265 -4.588 1.00 3.15 H new ATOM 0 HE2 LYS A 114 -6.437 -0.773 -7.595 1.00 13.43 H new ATOM 0 HE3 LYS A 114 -7.640 -1.588 -6.615 1.00 13.43 H new ATOM 0 HZ1 LYS A 114 -8.527 0.399 -6.295 1.00 71.12 H new ATOM 0 HZ2 LYS A 114 -7.193 0.791 -5.320 1.00 71.12 H new ATOM 0 HZ3 LYS A 114 -7.190 1.201 -6.968 1.00 71.12 H new ATOM 1720 N TRP A 115 -1.015 0.372 -2.310 1.00 65.24 N ATOM 1721 CA TRP A 115 -1.430 1.778 -2.033 1.00 13.42 C ATOM 1722 C TRP A 115 -0.212 2.661 -1.680 1.00 15.11 C ATOM 1723 O TRP A 115 0.832 2.155 -1.294 1.00 51.14 O ATOM 1724 CB TRP A 115 -2.442 1.829 -0.850 1.00 60.24 C ATOM 1725 CG TRP A 115 -3.725 1.082 -1.104 1.00 61.20 C ATOM 1726 CD1 TRP A 115 -4.064 -0.169 -0.665 1.00 40.24 C ATOM 1727 CD2 TRP A 115 -4.827 1.546 -1.882 1.00 14.11 C ATOM 1728 NE1 TRP A 115 -5.312 -0.498 -1.123 1.00 55.34 N ATOM 1729 CE2 TRP A 115 -5.802 0.535 -1.870 1.00 44.14 C ATOM 1730 CE3 TRP A 115 -5.087 2.726 -2.579 1.00 3.54 C ATOM 1731 CZ2 TRP A 115 -7.013 0.663 -2.537 1.00 63.13 C ATOM 1732 CZ3 TRP A 115 -6.283 2.851 -3.243 1.00 51.15 C ATOM 1733 CH2 TRP A 115 -7.238 1.824 -3.217 1.00 11.32 C ATOM 0 H TRP A 115 -0.541 -0.057 -1.515 1.00 65.24 H new ATOM 0 HA TRP A 115 -1.901 2.160 -2.939 1.00 13.42 H new ATOM 0 HB2 TRP A 115 -1.965 1.418 0.040 1.00 60.24 H new ATOM 0 HB3 TRP A 115 -2.678 2.871 -0.633 1.00 60.24 H new ATOM 0 HD1 TRP A 115 -3.441 -0.802 -0.050 1.00 40.24 H new ATOM 0 HE1 TRP A 115 -5.798 -1.375 -0.936 1.00 55.34 H new ATOM 0 HE3 TRP A 115 -4.362 3.526 -2.596 1.00 3.54 H new ATOM 0 HZ2 TRP A 115 -7.749 -0.127 -2.518 1.00 63.13 H new ATOM 0 HZ3 TRP A 115 -6.492 3.756 -3.795 1.00 51.15 H new ATOM 0 HH2 TRP A 115 -8.170 1.955 -3.746 1.00 11.32 H new ATOM 1744 N VAL A 116 -0.394 3.989 -1.801 1.00 4.32 N ATOM 1745 CA VAL A 116 0.582 5.018 -1.335 1.00 74.14 C ATOM 1746 C VAL A 116 -0.147 6.087 -0.493 1.00 41.31 C ATOM 1747 O VAL A 116 -1.370 6.145 -0.489 1.00 21.31 O ATOM 1748 CB VAL A 116 1.360 5.726 -2.520 1.00 20.20 C ATOM 1749 CG1 VAL A 116 2.336 4.753 -3.233 1.00 74.02 C ATOM 1750 CG2 VAL A 116 0.376 6.375 -3.528 1.00 64.01 C ATOM 0 H VAL A 116 -1.228 4.392 -2.228 1.00 4.32 H new ATOM 0 HA VAL A 116 1.324 4.492 -0.734 1.00 74.14 H new ATOM 0 HB VAL A 116 1.962 6.521 -2.081 1.00 20.20 H new ATOM 0 HG11 VAL A 116 2.849 5.278 -4.039 1.00 74.02 H new ATOM 0 HG12 VAL A 116 3.069 4.383 -2.516 1.00 74.02 H new ATOM 0 HG13 VAL A 116 1.776 3.914 -3.646 1.00 74.02 H new ATOM 0 HG21 VAL A 116 0.939 6.853 -4.330 1.00 64.01 H new ATOM 0 HG22 VAL A 116 -0.273 5.607 -3.948 1.00 64.01 H new ATOM 0 HG23 VAL A 116 -0.230 7.122 -3.015 1.00 64.01 H new ATOM 1760 N THR A 117 0.614 6.921 0.235 1.00 32.12 N ATOM 1761 CA THR A 117 0.052 8.051 1.032 1.00 51.12 C ATOM 1762 C THR A 117 0.568 9.411 0.514 1.00 4.43 C ATOM 1763 O THR A 117 1.520 9.465 -0.268 1.00 13.13 O ATOM 1764 CB THR A 117 0.388 7.909 2.557 1.00 14.13 C ATOM 1765 OG1 THR A 117 1.806 7.800 2.742 1.00 11.22 O ATOM 1766 CG2 THR A 117 -0.308 6.689 3.189 1.00 62.22 C ATOM 0 H THR A 117 1.629 6.842 0.295 1.00 32.12 H new ATOM 0 HA THR A 117 -1.031 8.012 0.911 1.00 51.12 H new ATOM 0 HB THR A 117 0.017 8.804 3.056 1.00 14.13 H new ATOM 0 HG1 THR A 117 2.006 7.713 3.698 1.00 11.22 H new ATOM 0 HG21 THR A 117 -0.048 6.629 4.246 1.00 62.22 H new ATOM 0 HG22 THR A 117 -1.388 6.793 3.087 1.00 62.22 H new ATOM 0 HG23 THR A 117 0.019 5.781 2.682 1.00 62.22 H new ATOM 1774 N GLU A 118 -0.063 10.514 0.974 1.00 23.22 N ATOM 1775 CA GLU A 118 0.347 11.893 0.596 1.00 73.52 C ATOM 1776 C GLU A 118 1.740 12.253 1.174 1.00 31.23 C ATOM 1777 O GLU A 118 2.442 13.108 0.639 1.00 52.11 O ATOM 1778 CB GLU A 118 -0.715 12.917 1.071 1.00 31.00 C ATOM 1779 CG GLU A 118 -0.476 14.366 0.598 1.00 32.52 C ATOM 1780 CD GLU A 118 -1.609 15.320 0.989 1.00 22.34 C ATOM 1781 OE1 GLU A 118 -2.611 15.395 0.254 1.00 11.22 O ATOM 1782 OE2 GLU A 118 -1.513 15.985 2.041 1.00 10.55 O ATOM 0 H GLU A 118 -0.860 10.480 1.609 1.00 23.22 H new ATOM 0 HA GLU A 118 0.420 11.933 -0.491 1.00 73.52 H new ATOM 0 HB2 GLU A 118 -1.694 12.592 0.720 1.00 31.00 H new ATOM 0 HB3 GLU A 118 -0.747 12.906 2.160 1.00 31.00 H new ATOM 0 HG2 GLU A 118 0.460 14.730 1.021 1.00 32.52 H new ATOM 0 HG3 GLU A 118 -0.360 14.374 -0.486 1.00 32.52 H new ATOM 1789 N ASP A 119 2.124 11.581 2.269 1.00 2.43 N ATOM 1790 CA ASP A 119 3.476 11.694 2.864 1.00 51.32 C ATOM 1791 C ASP A 119 4.566 11.165 1.898 1.00 64.51 C ATOM 1792 O ASP A 119 5.703 11.653 1.882 1.00 70.22 O ATOM 1793 CB ASP A 119 3.513 10.913 4.195 1.00 55.42 C ATOM 1794 CG ASP A 119 2.472 11.428 5.199 1.00 52.12 C ATOM 1795 OD1 ASP A 119 1.292 11.023 5.107 1.00 24.24 O ATOM 1796 OD2 ASP A 119 2.819 12.269 6.055 1.00 64.30 O ATOM 0 H ASP A 119 1.509 10.941 2.772 1.00 2.43 H new ATOM 0 HA ASP A 119 3.687 12.747 3.050 1.00 51.32 H new ATOM 0 HB2 ASP A 119 3.334 9.856 3.999 1.00 55.42 H new ATOM 0 HB3 ASP A 119 4.508 10.992 4.633 1.00 55.42 H new ATOM 1801 N GLU A 120 4.183 10.176 1.080 1.00 20.40 N ATOM 1802 CA GLU A 120 5.069 9.526 0.094 1.00 70.00 C ATOM 1803 C GLU A 120 4.959 10.182 -1.303 1.00 33.20 C ATOM 1804 O GLU A 120 5.710 9.830 -2.217 1.00 1.42 O ATOM 1805 CB GLU A 120 4.709 8.026 0.028 1.00 65.30 C ATOM 1806 CG GLU A 120 4.798 7.321 1.394 1.00 2.14 C ATOM 1807 CD GLU A 120 4.406 5.846 1.341 1.00 65.21 C ATOM 1808 OE1 GLU A 120 3.296 5.551 0.856 1.00 33.45 O ATOM 1809 OE2 GLU A 120 5.176 4.985 1.824 1.00 35.43 O ATOM 0 H GLU A 120 3.236 9.796 1.081 1.00 20.40 H new ATOM 0 HA GLU A 120 6.104 9.649 0.412 1.00 70.00 H new ATOM 0 HB2 GLU A 120 3.698 7.918 -0.364 1.00 65.30 H new ATOM 0 HB3 GLU A 120 5.378 7.529 -0.675 1.00 65.30 H new ATOM 0 HG2 GLU A 120 5.817 7.405 1.773 1.00 2.14 H new ATOM 0 HG3 GLU A 120 4.151 7.836 2.104 1.00 2.14 H new ATOM 1816 N LEU A 121 4.056 11.176 -1.445 1.00 21.31 N ATOM 1817 CA LEU A 121 3.845 11.923 -2.705 1.00 51.24 C ATOM 1818 C LEU A 121 4.196 13.416 -2.490 1.00 32.11 C ATOM 1819 O LEU A 121 3.647 14.072 -1.604 1.00 43.54 O ATOM 1820 CB LEU A 121 2.365 11.793 -3.175 1.00 3.52 C ATOM 1821 CG LEU A 121 1.841 10.349 -3.475 1.00 31.44 C ATOM 1822 CD1 LEU A 121 0.339 10.370 -3.844 1.00 14.43 C ATOM 1823 CD2 LEU A 121 2.676 9.657 -4.575 1.00 61.24 C ATOM 0 H LEU A 121 3.450 11.485 -0.685 1.00 21.31 H new ATOM 0 HA LEU A 121 4.493 11.503 -3.474 1.00 51.24 H new ATOM 0 HB2 LEU A 121 1.726 12.233 -2.409 1.00 3.52 H new ATOM 0 HB3 LEU A 121 2.242 12.393 -4.077 1.00 3.52 H new ATOM 0 HG LEU A 121 1.956 9.763 -2.563 1.00 31.44 H new ATOM 0 HD11 LEU A 121 0.000 9.354 -4.048 1.00 14.43 H new ATOM 0 HD12 LEU A 121 -0.234 10.784 -3.014 1.00 14.43 H new ATOM 0 HD13 LEU A 121 0.191 10.987 -4.731 1.00 14.43 H new ATOM 0 HD21 LEU A 121 2.282 8.657 -4.756 1.00 61.24 H new ATOM 0 HD22 LEU A 121 2.621 10.240 -5.494 1.00 61.24 H new ATOM 0 HD23 LEU A 121 3.715 9.585 -4.252 1.00 61.24 H new ATOM 1835 N SER A 122 5.118 13.938 -3.297 1.00 71.32 N ATOM 1836 CA SER A 122 5.445 15.387 -3.333 1.00 74.20 C ATOM 1837 C SER A 122 4.812 16.003 -4.589 1.00 44.13 C ATOM 1838 O SER A 122 4.638 15.311 -5.579 1.00 44.44 O ATOM 1839 CB SER A 122 6.979 15.610 -3.338 1.00 2.11 C ATOM 1840 OG SER A 122 7.570 15.071 -2.175 1.00 63.43 O ATOM 0 H SER A 122 5.667 13.379 -3.950 1.00 71.32 H new ATOM 0 HA SER A 122 5.045 15.869 -2.441 1.00 74.20 H new ATOM 0 HB2 SER A 122 7.415 15.144 -4.222 1.00 2.11 H new ATOM 0 HB3 SER A 122 7.195 16.677 -3.400 1.00 2.11 H new ATOM 0 HG SER A 122 8.538 15.222 -2.200 1.00 63.43 H new ATOM 1846 N ALA A 123 4.452 17.292 -4.549 1.00 24.31 N ATOM 1847 CA ALA A 123 3.951 18.006 -5.751 1.00 23.13 C ATOM 1848 C ALA A 123 5.075 18.190 -6.811 1.00 74.04 C ATOM 1849 O ALA A 123 6.247 17.894 -6.533 1.00 20.41 O ATOM 1850 CB ALA A 123 3.334 19.352 -5.347 1.00 62.00 C ATOM 0 H ALA A 123 4.494 17.867 -3.707 1.00 24.31 H new ATOM 0 HA ALA A 123 3.174 17.398 -6.214 1.00 23.13 H new ATOM 0 HB1 ALA A 123 2.970 19.867 -6.236 1.00 62.00 H new ATOM 0 HB2 ALA A 123 2.504 19.181 -4.662 1.00 62.00 H new ATOM 0 HB3 ALA A 123 4.089 19.966 -4.856 1.00 62.00 H new ATOM 1856 N LYS A 124 4.701 18.633 -8.032 1.00 64.44 N ATOM 1857 CA LYS A 124 5.670 18.901 -9.129 1.00 13.21 C ATOM 1858 C LYS A 124 6.790 19.890 -8.668 1.00 55.32 C ATOM 1859 O LYS A 124 6.580 21.106 -8.605 1.00 32.30 O ATOM 1860 CB LYS A 124 4.917 19.435 -10.385 1.00 30.20 C ATOM 1861 CG LYS A 124 5.805 19.744 -11.614 1.00 65.33 C ATOM 1862 CD LYS A 124 6.574 18.507 -12.135 1.00 1.12 C ATOM 1863 CE LYS A 124 7.425 18.827 -13.376 1.00 33.23 C ATOM 1864 NZ LYS A 124 8.494 19.827 -13.092 1.00 4.54 N ATOM 0 H LYS A 124 3.730 18.815 -8.288 1.00 64.44 H new ATOM 0 HA LYS A 124 6.162 17.965 -9.395 1.00 13.21 H new ATOM 0 HB2 LYS A 124 4.167 18.700 -10.677 1.00 30.20 H new ATOM 0 HB3 LYS A 124 4.383 20.343 -10.107 1.00 30.20 H new ATOM 0 HG2 LYS A 124 5.181 20.140 -12.415 1.00 65.33 H new ATOM 0 HG3 LYS A 124 6.519 20.524 -11.351 1.00 65.33 H new ATOM 0 HD2 LYS A 124 7.219 18.124 -11.344 1.00 1.12 H new ATOM 0 HD3 LYS A 124 5.864 17.717 -12.378 1.00 1.12 H new ATOM 0 HE2 LYS A 124 7.880 17.909 -13.747 1.00 33.23 H new ATOM 0 HE3 LYS A 124 6.779 19.205 -14.168 1.00 33.23 H new ATOM 0 HZ1 LYS A 124 9.232 19.763 -13.822 1.00 4.54 H new ATOM 0 HZ2 LYS A 124 8.085 20.783 -13.096 1.00 4.54 H new ATOM 0 HZ3 LYS A 124 8.912 19.633 -12.160 1.00 4.54 H new ATOM 1878 N LEU A 125 7.964 19.324 -8.321 1.00 34.11 N ATOM 1879 CA LEU A 125 9.087 20.073 -7.698 1.00 71.34 C ATOM 1880 C LEU A 125 10.441 19.662 -8.325 1.00 74.33 C ATOM 1881 O LEU A 125 10.691 18.476 -8.570 1.00 64.11 O ATOM 1882 CB LEU A 125 9.101 19.808 -6.164 1.00 15.12 C ATOM 1883 CG LEU A 125 10.156 20.609 -5.329 1.00 75.21 C ATOM 1884 CD1 LEU A 125 9.892 22.130 -5.395 1.00 45.31 C ATOM 1885 CD2 LEU A 125 10.217 20.107 -3.867 1.00 63.03 C ATOM 0 H LEU A 125 8.165 18.334 -8.463 1.00 34.11 H new ATOM 0 HA LEU A 125 8.941 21.138 -7.881 1.00 71.34 H new ATOM 0 HB2 LEU A 125 8.110 20.033 -5.769 1.00 15.12 H new ATOM 0 HB3 LEU A 125 9.274 18.744 -6.003 1.00 15.12 H new ATOM 0 HG LEU A 125 11.133 20.429 -5.777 1.00 75.21 H new ATOM 0 HD11 LEU A 125 10.643 22.656 -4.805 1.00 45.31 H new ATOM 0 HD12 LEU A 125 9.946 22.464 -6.431 1.00 45.31 H new ATOM 0 HD13 LEU A 125 8.901 22.345 -4.996 1.00 45.31 H new ATOM 0 HD21 LEU A 125 10.959 20.684 -3.315 1.00 63.03 H new ATOM 0 HD22 LEU A 125 9.240 20.230 -3.399 1.00 63.03 H new ATOM 0 HD23 LEU A 125 10.495 19.053 -3.855 1.00 63.03 H new ATOM 1897 N GLU A 126 11.306 20.662 -8.584 1.00 42.11 N ATOM 1898 CA GLU A 126 12.650 20.472 -9.192 1.00 43.24 C ATOM 1899 C GLU A 126 13.772 21.091 -8.312 1.00 12.12 C ATOM 1900 O GLU A 126 14.931 21.178 -8.739 1.00 4.14 O ATOM 1901 CB GLU A 126 12.658 21.086 -10.624 1.00 0.33 C ATOM 1902 CG GLU A 126 11.711 20.370 -11.616 1.00 23.31 C ATOM 1903 CD GLU A 126 11.658 21.019 -13.005 1.00 42.24 C ATOM 1904 OE1 GLU A 126 12.596 20.815 -13.805 1.00 22.40 O ATOM 1905 OE2 GLU A 126 10.685 21.746 -13.300 1.00 72.23 O ATOM 0 H GLU A 126 11.094 21.638 -8.377 1.00 42.11 H new ATOM 0 HA GLU A 126 12.855 19.403 -9.257 1.00 43.24 H new ATOM 0 HB2 GLU A 126 12.375 22.137 -10.560 1.00 0.33 H new ATOM 0 HB3 GLU A 126 13.674 21.053 -11.018 1.00 0.33 H new ATOM 0 HG2 GLU A 126 12.029 19.333 -11.722 1.00 23.31 H new ATOM 0 HG3 GLU A 126 10.706 20.353 -11.195 1.00 23.31 H new ATOM 1912 N HIS A 127 13.419 21.478 -7.067 1.00 42.31 N ATOM 1913 CA HIS A 127 14.362 22.076 -6.088 1.00 32.04 C ATOM 1914 C HIS A 127 15.310 20.990 -5.500 1.00 3.31 C ATOM 1915 O HIS A 127 14.898 20.181 -4.658 1.00 73.03 O ATOM 1916 CB HIS A 127 13.554 22.790 -4.969 1.00 30.34 C ATOM 1917 CG HIS A 127 14.378 23.506 -3.917 1.00 11.40 C ATOM 1918 ND1 HIS A 127 14.857 24.788 -4.077 1.00 24.04 N ATOM 1919 CD2 HIS A 127 14.788 23.117 -2.680 1.00 61.41 C ATOM 1920 CE1 HIS A 127 15.510 25.158 -2.994 1.00 13.00 C ATOM 1921 NE2 HIS A 127 15.488 24.164 -2.134 1.00 53.30 N ATOM 0 H HIS A 127 12.469 21.385 -6.708 1.00 42.31 H new ATOM 0 HA HIS A 127 14.989 22.812 -6.592 1.00 32.04 H new ATOM 0 HB2 HIS A 127 12.885 23.514 -5.435 1.00 30.34 H new ATOM 0 HB3 HIS A 127 12.927 22.051 -4.471 1.00 30.34 H new ATOM 0 HD2 HIS A 127 14.598 22.162 -2.214 1.00 61.41 H new ATOM 0 HE1 HIS A 127 15.983 26.116 -2.839 1.00 13.00 H new ATOM 0 HE2 HIS A 127 15.921 24.170 -1.210 1.00 53.30 H new ATOM 1930 N HIS A 128 16.569 20.968 -5.988 1.00 25.32 N ATOM 1931 CA HIS A 128 17.620 20.005 -5.558 1.00 34.54 C ATOM 1932 C HIS A 128 18.966 20.738 -5.319 1.00 42.44 C ATOM 1933 O HIS A 128 19.239 21.762 -5.950 1.00 44.25 O ATOM 1934 CB HIS A 128 17.808 18.900 -6.636 1.00 12.43 C ATOM 1935 CG HIS A 128 16.570 18.085 -6.928 1.00 65.34 C ATOM 1936 ND1 HIS A 128 15.803 18.250 -8.065 1.00 2.11 N ATOM 1937 CD2 HIS A 128 15.963 17.102 -6.219 1.00 71.52 C ATOM 1938 CE1 HIS A 128 14.790 17.409 -8.044 1.00 32.43 C ATOM 1939 NE2 HIS A 128 14.864 16.705 -6.937 1.00 22.02 N ATOM 0 H HIS A 128 16.893 21.623 -6.699 1.00 25.32 H new ATOM 0 HA HIS A 128 17.301 19.544 -4.623 1.00 34.54 H new ATOM 0 HB2 HIS A 128 18.145 19.368 -7.561 1.00 12.43 H new ATOM 0 HB3 HIS A 128 18.602 18.227 -6.312 1.00 12.43 H new ATOM 0 HD2 HIS A 128 16.285 16.706 -5.267 1.00 71.52 H new ATOM 0 HE1 HIS A 128 14.030 17.314 -8.805 1.00 32.43 H new ATOM 0 HE2 HIS A 128 14.207 15.977 -6.656 1.00 22.02 H new ATOM 1948 N HIS A 129 19.803 20.203 -4.405 1.00 52.13 N ATOM 1949 CA HIS A 129 21.155 20.752 -4.103 1.00 42.42 C ATOM 1950 C HIS A 129 22.278 19.780 -4.534 1.00 73.12 C ATOM 1951 O HIS A 129 22.067 18.574 -4.673 1.00 63.33 O ATOM 1952 CB HIS A 129 21.284 21.077 -2.585 1.00 12.14 C ATOM 1953 CG HIS A 129 20.619 22.363 -2.159 1.00 11.41 C ATOM 1954 ND1 HIS A 129 19.274 22.471 -1.877 1.00 72.42 N ATOM 1955 CD2 HIS A 129 21.135 23.600 -1.955 1.00 71.31 C ATOM 1956 CE1 HIS A 129 18.993 23.707 -1.523 1.00 14.23 C ATOM 1957 NE2 HIS A 129 20.103 24.413 -1.559 1.00 53.41 N ATOM 0 H HIS A 129 19.567 19.379 -3.853 1.00 52.13 H new ATOM 0 HA HIS A 129 21.270 21.671 -4.678 1.00 42.42 H new ATOM 0 HB2 HIS A 129 20.855 20.254 -2.013 1.00 12.14 H new ATOM 0 HB3 HIS A 129 22.342 21.127 -2.326 1.00 12.14 H new ATOM 0 HD2 HIS A 129 22.167 23.892 -2.081 1.00 71.31 H new ATOM 0 HE1 HIS A 129 18.017 24.079 -1.249 1.00 14.23 H new ATOM 0 HE2 HIS A 129 20.183 25.404 -1.330 1.00 53.41 H new ATOM 1966 N HIS A 130 23.480 20.351 -4.737 1.00 5.52 N ATOM 1967 CA HIS A 130 24.721 19.596 -5.042 1.00 72.11 C ATOM 1968 C HIS A 130 25.524 19.306 -3.743 1.00 52.42 C ATOM 1969 O HIS A 130 25.070 19.623 -2.633 1.00 14.41 O ATOM 1970 CB HIS A 130 25.591 20.399 -6.056 1.00 62.21 C ATOM 1971 CG HIS A 130 24.981 20.555 -7.428 1.00 55.22 C ATOM 1972 ND1 HIS A 130 25.519 19.975 -8.560 1.00 1.42 N ATOM 1973 CD2 HIS A 130 23.891 21.243 -7.853 1.00 0.31 C ATOM 1974 CE1 HIS A 130 24.791 20.297 -9.610 1.00 33.42 C ATOM 1975 NE2 HIS A 130 23.800 21.061 -9.213 1.00 52.33 N ATOM 0 H HIS A 130 23.624 21.360 -4.695 1.00 5.52 H new ATOM 0 HA HIS A 130 24.448 18.640 -5.488 1.00 72.11 H new ATOM 0 HB2 HIS A 130 25.783 21.390 -5.644 1.00 62.21 H new ATOM 0 HB3 HIS A 130 26.557 19.904 -6.157 1.00 62.21 H new ATOM 0 HD2 HIS A 130 23.220 21.825 -7.238 1.00 0.31 H new ATOM 0 HE1 HIS A 130 24.978 19.985 -10.627 1.00 33.42 H new ATOM 0 HE2 HIS A 130 23.079 21.456 -9.816 1.00 52.33 H new ATOM 1984 N HIS A 131 26.714 18.686 -3.894 1.00 0.24 N ATOM 1985 CA HIS A 131 27.634 18.422 -2.767 1.00 64.24 C ATOM 1986 C HIS A 131 28.350 19.722 -2.314 1.00 64.22 C ATOM 1987 O HIS A 131 29.398 20.091 -2.853 1.00 75.04 O ATOM 1988 CB HIS A 131 28.664 17.321 -3.152 1.00 0.32 C ATOM 1989 CG HIS A 131 29.668 16.989 -2.069 1.00 74.01 C ATOM 1990 ND1 HIS A 131 29.333 16.316 -0.916 1.00 20.35 N ATOM 1991 CD2 HIS A 131 30.992 17.278 -1.951 1.00 14.45 C ATOM 1992 CE1 HIS A 131 30.397 16.194 -0.149 1.00 53.22 C ATOM 1993 NE2 HIS A 131 31.417 16.773 -0.745 1.00 50.24 N ATOM 0 H HIS A 131 27.062 18.356 -4.794 1.00 0.24 H new ATOM 0 HA HIS A 131 27.046 18.059 -1.924 1.00 64.24 H new ATOM 0 HB2 HIS A 131 28.123 16.413 -3.418 1.00 0.32 H new ATOM 0 HB3 HIS A 131 29.204 17.643 -4.043 1.00 0.32 H new ATOM 0 HD2 HIS A 131 31.598 17.807 -2.672 1.00 14.45 H new ATOM 0 HE1 HIS A 131 30.427 15.700 0.811 1.00 53.22 H new ATOM 0 HE2 HIS A 131 32.365 16.837 -0.374 1.00 50.24 H new ATOM 2002 N HIS A 132 27.733 20.434 -1.362 1.00 51.24 N ATOM 2003 CA HIS A 132 28.357 21.579 -0.664 1.00 21.13 C ATOM 2004 C HIS A 132 29.103 21.078 0.610 1.00 2.24 C ATOM 2005 O HIS A 132 28.424 20.693 1.593 1.00 36.95 O ATOM 2006 CB HIS A 132 27.280 22.653 -0.309 1.00 63.03 C ATOM 2007 CG HIS A 132 27.823 23.839 0.455 1.00 33.33 C ATOM 2008 ND1 HIS A 132 28.575 24.829 -0.137 1.00 23.24 N ATOM 2009 CD2 HIS A 132 27.737 24.178 1.766 1.00 42.03 C ATOM 2010 CE1 HIS A 132 28.935 25.713 0.771 1.00 51.32 C ATOM 2011 NE2 HIS A 132 28.437 25.347 1.932 1.00 13.12 N ATOM 2012 OXT HIS A 132 30.352 21.079 0.626 1.00 36.95 O ATOM 0 H HIS A 132 26.783 20.236 -1.049 1.00 51.24 H new ATOM 0 HA HIS A 132 29.086 22.049 -1.324 1.00 21.13 H new ATOM 0 HB2 HIS A 132 26.818 23.008 -1.230 1.00 63.03 H new ATOM 0 HB3 HIS A 132 26.494 22.183 0.281 1.00 63.03 H new ATOM 0 HD2 HIS A 132 27.215 23.630 2.536 1.00 42.03 H new ATOM 0 HE1 HIS A 132 29.538 26.591 0.592 1.00 51.32 H new ATOM 0 HE2 HIS A 132 28.552 25.850 2.812 1.00 13.12 H new TER 2021 HIS A 132