USER MOD reduce.3.24.130724 H: found=0, std=0, add=1288, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1286 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: B 26 THR OG1 : rot 134:sc= -0.561 USER MOD Set 1.2: B 29 GLN : amide:sc= 0.105 K(o=-0.46,f=-3.4!) USER MOD Set 2.1: A 58 SER OG : rot 131:sc= -0.38 USER MOD Set 2.2: A 75 HIS : no HD1:sc= -0.754 K(o=-1.1,f=1.2) USER MOD Set 3.1: A 26 THR OG1 : rot 108:sc= -0.258 USER MOD Set 3.2: A 29 GLN : amide:sc= -0.528 K(o=-0.79,f=1.3) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0744 (180deg=-0.43) USER MOD Single : A 1 MET N :NH3+ -165:sc= -0.02 (180deg=-0.29) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -150:sc= 0.514 (180deg=-0.181) USER MOD Single : A 7 LYS NZ :NH3+ -140:sc= -1.31 (180deg=-2.74!) USER MOD Single : A 14 GLN : amide:sc= -0.859 K(o=-0.86,f=-1.5!) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 27 GLN : amide:sc= -0.373 K(o=-0.37,f=-0.92) USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 0.277 (180deg=0.26) USER MOD Single : A 31 LYS NZ :NH3+ -127:sc= 0.659 (180deg=-0.00847) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -76:sc= -1.58 USER MOD Single : A 35 LYS NZ :NH3+ -103:sc= 1.22 (180deg=-0.676) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 168:sc= 0.0388 (180deg=-0.0624) USER MOD Single : A 54 LYS NZ :NH3+ -174:sc= 0.0652 (180deg=0.0578) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.159 USER MOD Single : A 67 LYS NZ :NH3+ 146:sc= 0.144 (180deg=0) USER MOD Single : A 72 HIS : no HE2:sc= 0.0277 K(o=0.028,f=-1.4) USER MOD Single : A 73 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.035) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 76 HIS : no HE2:sc= 0.104 K(o=0.1,f=-0.97) USER MOD Single : A 77 HIS : no HE2:sc= 0.434 K(o=0.43,f=-1.5!) USER MOD Single : B 1 MET CE :methyl 171:sc= 0 (180deg=-0.109) USER MOD Single : B 1 MET N :NH3+ 137:sc= -1.57 (180deg=-2.97!) USER MOD Single : B 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 MET CE :methyl -166:sc= -0.0487 (180deg=-0.336) USER MOD Single : B 5 LYS NZ :NH3+ 180:sc= -0.156 (180deg=-0.156) USER MOD Single : B 7 LYS NZ :NH3+ 157:sc= 0.681 (180deg=0.407) USER MOD Single : B 14 GLN : amide:sc= -0.824 K(o=-0.82,f=-5.4!) USER MOD Single : B 20 ASN : amide:sc= 0.0769 X(o=0.077,f=-0.17) USER MOD Single : B 22 THR OG1 : rot -45:sc= 0.709 USER MOD Single : B 27 GLN : amide:sc= 0.32 K(o=0.32,f=-4.2!) USER MOD Single : B 28 LYS NZ :NH3+ 167:sc= 0.0103 (180deg=0.00313) USER MOD Single : B 31 LYS NZ :NH3+ -167:sc= 0.87 (180deg=0.766) USER MOD Single : B 32 LYS NZ :NH3+ -166:sc= -0.0387 (180deg=-0.301) USER MOD Single : B 34 THR OG1 : rot -74:sc= 0.357 USER MOD Single : B 35 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00793) USER MOD Single : B 37 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00219) USER MOD Single : B 40 LYS NZ :NH3+ -151:sc= 0.696 (180deg=0.301) USER MOD Single : B 54 LYS NZ :NH3+ 178:sc= 0.187 (180deg=0.182) USER MOD Single : B 57 THR OG1 : rot 34:sc= -0.127 USER MOD Single : B 58 SER OG : rot 180:sc= 0 USER MOD Single : B 67 LYS NZ :NH3+ -131:sc= 0.696 (180deg=0.513) USER MOD Single : B 72 HIS : no HE2:sc= -0.0241 K(o=-0.024,f=-1.6) USER MOD Single : B 73 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : B 74 HIS : no HD1:sc= 0.0537 X(o=0.054,f=-0.24) USER MOD Single : B 75 HIS : no HD1:sc= -0.0634 X(o=-0.063,f=-0.063) USER MOD Single : B 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 77 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.379 20.521 1.163 1.00 32.13 N ATOM 2 CA MET A 1 9.106 19.311 0.341 1.00 64.21 C ATOM 3 C MET A 1 9.106 18.043 1.233 1.00 34.31 C ATOM 4 O MET A 1 10.133 17.373 1.390 1.00 13.35 O ATOM 5 CB MET A 1 10.157 19.205 -0.806 1.00 51.21 C ATOM 6 CG MET A 1 10.189 20.419 -1.756 1.00 62.01 C ATOM 7 SD MET A 1 11.473 20.302 -3.025 1.00 71.24 S ATOM 8 CE MET A 1 12.973 20.314 -2.040 1.00 21.32 C ATOM 0 H1 MET A 1 9.129 21.373 0.621 1.00 32.13 H new ATOM 0 H2 MET A 1 8.810 20.485 2.033 1.00 32.13 H new ATOM 0 H3 MET A 1 10.389 20.552 1.411 1.00 32.13 H new ATOM 0 HA MET A 1 8.118 19.395 -0.111 1.00 64.21 H new ATOM 0 HB2 MET A 1 11.146 19.078 -0.365 1.00 51.21 H new ATOM 0 HB3 MET A 1 9.950 18.308 -1.390 1.00 51.21 H new ATOM 0 HG2 MET A 1 9.218 20.518 -2.240 1.00 62.01 H new ATOM 0 HG3 MET A 1 10.348 21.325 -1.171 1.00 62.01 H new ATOM 0 HE1 MET A 1 13.827 20.532 -2.681 1.00 21.32 H new ATOM 0 HE2 MET A 1 12.894 21.078 -1.267 1.00 21.32 H new ATOM 0 HE3 MET A 1 13.110 19.339 -1.573 1.00 21.32 H new ATOM 20 N LYS A 2 7.948 17.758 1.859 1.00 23.50 N ATOM 21 CA LYS A 2 7.761 16.611 2.782 1.00 2.14 C ATOM 22 C LYS A 2 6.824 15.560 2.140 1.00 23.15 C ATOM 23 O LYS A 2 5.623 15.799 1.974 1.00 21.22 O ATOM 24 CB LYS A 2 7.193 17.138 4.128 1.00 34.33 C ATOM 25 CG LYS A 2 8.165 18.073 4.899 1.00 5.22 C ATOM 26 CD LYS A 2 7.481 18.885 6.027 1.00 25.20 C ATOM 27 CE LYS A 2 6.781 18.010 7.083 1.00 21.32 C ATOM 28 NZ LYS A 2 6.129 18.836 8.135 1.00 10.03 N ATOM 0 H LYS A 2 7.105 18.320 1.740 1.00 23.50 H new ATOM 0 HA LYS A 2 8.716 16.122 2.974 1.00 2.14 H new ATOM 0 HB2 LYS A 2 6.265 17.676 3.934 1.00 34.33 H new ATOM 0 HB3 LYS A 2 6.942 16.288 4.763 1.00 34.33 H new ATOM 0 HG2 LYS A 2 8.967 17.474 5.329 1.00 5.22 H new ATOM 0 HG3 LYS A 2 8.627 18.764 4.194 1.00 5.22 H new ATOM 0 HD2 LYS A 2 8.229 19.506 6.520 1.00 25.20 H new ATOM 0 HD3 LYS A 2 6.749 19.560 5.584 1.00 25.20 H new ATOM 0 HE2 LYS A 2 6.034 17.382 6.598 1.00 21.32 H new ATOM 0 HE3 LYS A 2 7.509 17.342 7.543 1.00 21.32 H new ATOM 0 HZ1 LYS A 2 5.668 18.214 8.829 1.00 10.03 H new ATOM 0 HZ2 LYS A 2 6.846 19.417 8.614 1.00 10.03 H new ATOM 0 HZ3 LYS A 2 5.417 19.455 7.698 1.00 10.03 H new ATOM 42 N MET A 3 7.398 14.409 1.761 1.00 30.34 N ATOM 43 CA MET A 3 6.699 13.344 1.014 1.00 71.42 C ATOM 44 C MET A 3 5.879 12.391 1.922 1.00 11.31 C ATOM 45 O MET A 3 6.248 12.107 3.069 1.00 71.21 O ATOM 46 CB MET A 3 7.730 12.525 0.186 1.00 12.03 C ATOM 47 CG MET A 3 8.356 13.299 -0.982 1.00 54.40 C ATOM 48 SD MET A 3 7.116 13.803 -2.201 1.00 1.23 S ATOM 49 CE MET A 3 8.116 14.642 -3.431 1.00 2.43 C ATOM 0 H MET A 3 8.372 14.185 1.965 1.00 30.34 H new ATOM 0 HA MET A 3 5.984 13.838 0.356 1.00 71.42 H new ATOM 0 HB2 MET A 3 8.525 12.186 0.850 1.00 12.03 H new ATOM 0 HB3 MET A 3 7.239 11.634 -0.205 1.00 12.03 H new ATOM 0 HG2 MET A 3 8.868 14.182 -0.599 1.00 54.40 H new ATOM 0 HG3 MET A 3 9.110 12.678 -1.466 1.00 54.40 H new ATOM 0 HE1 MET A 3 7.476 15.001 -4.237 1.00 2.43 H new ATOM 0 HE2 MET A 3 8.627 15.487 -2.970 1.00 2.43 H new ATOM 0 HE3 MET A 3 8.853 13.948 -3.835 1.00 2.43 H new ATOM 59 N LEU A 4 4.762 11.890 1.349 1.00 41.32 N ATOM 60 CA LEU A 4 3.952 10.784 1.925 1.00 51.31 C ATOM 61 C LEU A 4 4.778 9.464 2.066 1.00 74.24 C ATOM 62 O LEU A 4 4.349 8.533 2.752 1.00 71.53 O ATOM 63 CB LEU A 4 2.664 10.531 1.064 1.00 12.15 C ATOM 64 CG LEU A 4 1.520 11.609 1.108 1.00 43.42 C ATOM 65 CD1 LEU A 4 1.000 11.829 2.539 1.00 53.52 C ATOM 66 CD2 LEU A 4 1.934 12.941 0.441 1.00 22.33 C ATOM 0 H LEU A 4 4.391 12.242 0.466 1.00 41.32 H new ATOM 0 HA LEU A 4 3.653 11.094 2.926 1.00 51.31 H new ATOM 0 HB2 LEU A 4 2.974 10.416 0.025 1.00 12.15 H new ATOM 0 HB3 LEU A 4 2.236 9.578 1.376 1.00 12.15 H new ATOM 0 HG LEU A 4 0.696 11.209 0.518 1.00 43.42 H new ATOM 0 HD11 LEU A 4 0.211 12.581 2.528 1.00 53.52 H new ATOM 0 HD12 LEU A 4 0.603 10.892 2.930 1.00 53.52 H new ATOM 0 HD13 LEU A 4 1.817 12.170 3.175 1.00 53.52 H new ATOM 0 HD21 LEU A 4 1.108 13.649 0.499 1.00 22.33 H new ATOM 0 HD22 LEU A 4 2.802 13.352 0.957 1.00 22.33 H new ATOM 0 HD23 LEU A 4 2.185 12.762 -0.604 1.00 22.33 H new ATOM 78 N LYS A 5 5.957 9.400 1.406 1.00 33.41 N ATOM 79 CA LYS A 5 6.923 8.284 1.552 1.00 23.42 C ATOM 80 C LYS A 5 7.526 8.229 2.982 1.00 11.04 C ATOM 81 O LYS A 5 7.664 7.150 3.567 1.00 32.04 O ATOM 82 CB LYS A 5 8.070 8.441 0.520 1.00 31.03 C ATOM 83 CG LYS A 5 9.169 7.356 0.632 1.00 15.33 C ATOM 84 CD LYS A 5 10.304 7.498 -0.402 1.00 64.31 C ATOM 85 CE LYS A 5 9.840 7.259 -1.846 1.00 13.21 C ATOM 86 NZ LYS A 5 10.970 7.363 -2.790 1.00 64.45 N ATOM 0 H LYS A 5 6.267 10.122 0.755 1.00 33.41 H new ATOM 0 HA LYS A 5 6.382 7.355 1.374 1.00 23.42 H new ATOM 0 HB2 LYS A 5 7.648 8.414 -0.485 1.00 31.03 H new ATOM 0 HB3 LYS A 5 8.528 9.422 0.647 1.00 31.03 H new ATOM 0 HG2 LYS A 5 9.598 7.391 1.633 1.00 15.33 H new ATOM 0 HG3 LYS A 5 8.708 6.375 0.517 1.00 15.33 H new ATOM 0 HD2 LYS A 5 10.733 8.497 -0.326 1.00 64.31 H new ATOM 0 HD3 LYS A 5 11.097 6.791 -0.160 1.00 64.31 H new ATOM 0 HE2 LYS A 5 9.384 6.272 -1.926 1.00 13.21 H new ATOM 0 HE3 LYS A 5 9.073 7.987 -2.110 1.00 13.21 H new ATOM 0 HZ1 LYS A 5 10.624 7.703 -3.710 1.00 64.45 H new ATOM 0 HZ2 LYS A 5 11.674 8.032 -2.417 1.00 64.45 H new ATOM 0 HZ3 LYS A 5 11.410 6.428 -2.909 1.00 64.45 H new ATOM 100 N GLU A 6 7.909 9.411 3.507 1.00 53.11 N ATOM 101 CA GLU A 6 8.493 9.554 4.868 1.00 31.32 C ATOM 102 C GLU A 6 7.488 9.091 5.951 1.00 71.11 C ATOM 103 O GLU A 6 7.854 8.418 6.925 1.00 21.12 O ATOM 104 CB GLU A 6 8.907 11.033 5.096 1.00 5.34 C ATOM 105 CG GLU A 6 10.033 11.524 4.161 1.00 5.31 C ATOM 106 CD GLU A 6 10.234 13.051 4.172 1.00 41.12 C ATOM 107 OE1 GLU A 6 10.716 13.601 5.189 1.00 2.01 O ATOM 108 OE2 GLU A 6 9.917 13.709 3.160 1.00 74.13 O ATOM 0 H GLU A 6 7.825 10.295 3.005 1.00 53.11 H new ATOM 0 HA GLU A 6 9.376 8.919 4.946 1.00 31.32 H new ATOM 0 HB2 GLU A 6 8.032 11.669 4.959 1.00 5.34 H new ATOM 0 HB3 GLU A 6 9.230 11.153 6.130 1.00 5.34 H new ATOM 0 HG2 GLU A 6 10.967 11.043 4.450 1.00 5.31 H new ATOM 0 HG3 GLU A 6 9.811 11.204 3.143 1.00 5.31 H new ATOM 115 N LYS A 7 6.218 9.480 5.739 1.00 21.23 N ATOM 116 CA LYS A 7 5.053 8.987 6.505 1.00 51.22 C ATOM 117 C LYS A 7 4.964 7.438 6.455 1.00 63.21 C ATOM 118 O LYS A 7 4.934 6.779 7.492 1.00 74.44 O ATOM 119 CB LYS A 7 3.770 9.618 5.904 1.00 25.32 C ATOM 120 CG LYS A 7 2.441 9.207 6.574 1.00 12.44 C ATOM 121 CD LYS A 7 1.217 9.697 5.773 1.00 64.22 C ATOM 122 CE LYS A 7 -0.123 9.445 6.494 1.00 23.41 C ATOM 123 NZ LYS A 7 -0.424 7.997 6.633 1.00 2.14 N ATOM 0 H LYS A 7 5.965 10.157 5.019 1.00 21.23 H new ATOM 0 HA LYS A 7 5.161 9.274 7.551 1.00 51.22 H new ATOM 0 HB2 LYS A 7 3.862 10.703 5.958 1.00 25.32 H new ATOM 0 HB3 LYS A 7 3.719 9.355 4.848 1.00 25.32 H new ATOM 0 HG2 LYS A 7 2.402 8.122 6.668 1.00 12.44 H new ATOM 0 HG3 LYS A 7 2.402 9.616 7.584 1.00 12.44 H new ATOM 0 HD2 LYS A 7 1.322 10.764 5.578 1.00 64.22 H new ATOM 0 HD3 LYS A 7 1.201 9.197 4.805 1.00 64.22 H new ATOM 0 HE2 LYS A 7 -0.094 9.904 7.482 1.00 23.41 H new ATOM 0 HE3 LYS A 7 -0.928 9.930 5.941 1.00 23.41 H new ATOM 0 HZ1 LYS A 7 -1.437 7.835 6.462 1.00 2.14 H new ATOM 0 HZ2 LYS A 7 0.135 7.458 5.941 1.00 2.14 H new ATOM 0 HZ3 LYS A 7 -0.181 7.683 7.594 1.00 2.14 H new ATOM 137 N ALA A 8 4.969 6.889 5.221 1.00 11.23 N ATOM 138 CA ALA A 8 4.879 5.428 4.950 1.00 21.01 C ATOM 139 C ALA A 8 6.031 4.624 5.603 1.00 3.31 C ATOM 140 O ALA A 8 5.864 3.453 5.952 1.00 15.22 O ATOM 141 CB ALA A 8 4.859 5.201 3.429 1.00 23.34 C ATOM 0 H ALA A 8 5.036 7.450 4.372 1.00 11.23 H new ATOM 0 HA ALA A 8 3.956 5.061 5.399 1.00 21.01 H new ATOM 0 HB1 ALA A 8 4.793 4.133 3.221 1.00 23.34 H new ATOM 0 HB2 ALA A 8 3.997 5.709 2.997 1.00 23.34 H new ATOM 0 HB3 ALA A 8 5.773 5.600 2.989 1.00 23.34 H new ATOM 147 N GLY A 9 7.194 5.281 5.750 1.00 33.35 N ATOM 148 CA GLY A 9 8.369 4.685 6.407 1.00 22.33 C ATOM 149 C GLY A 9 8.234 4.588 7.934 1.00 73.12 C ATOM 150 O GLY A 9 8.712 3.628 8.556 1.00 72.12 O ATOM 0 H GLY A 9 7.345 6.234 5.419 1.00 33.35 H new ATOM 0 HA2 GLY A 9 8.535 3.687 6.001 1.00 22.33 H new ATOM 0 HA3 GLY A 9 9.251 5.279 6.165 1.00 22.33 H new ATOM 154 N ALA A 10 7.593 5.607 8.537 1.00 35.25 N ATOM 155 CA ALA A 10 7.258 5.622 9.982 1.00 64.24 C ATOM 156 C ALA A 10 6.171 4.564 10.312 1.00 73.20 C ATOM 157 O ALA A 10 6.226 3.892 11.354 1.00 64.32 O ATOM 158 CB ALA A 10 6.791 7.024 10.402 1.00 15.12 C ATOM 0 H ALA A 10 7.291 6.445 8.040 1.00 35.25 H new ATOM 0 HA ALA A 10 8.156 5.367 10.545 1.00 64.24 H new ATOM 0 HB1 ALA A 10 6.548 7.023 11.465 1.00 15.12 H new ATOM 0 HB2 ALA A 10 7.587 7.745 10.212 1.00 15.12 H new ATOM 0 HB3 ALA A 10 5.907 7.300 9.828 1.00 15.12 H new ATOM 164 N LEU A 11 5.190 4.434 9.390 1.00 65.44 N ATOM 165 CA LEU A 11 4.127 3.405 9.455 1.00 31.44 C ATOM 166 C LEU A 11 4.730 1.988 9.337 1.00 73.41 C ATOM 167 O LEU A 11 4.336 1.074 10.052 1.00 62.22 O ATOM 168 CB LEU A 11 3.089 3.642 8.323 1.00 2.11 C ATOM 169 CG LEU A 11 2.399 5.043 8.316 1.00 54.35 C ATOM 170 CD1 LEU A 11 1.526 5.237 7.058 1.00 4.23 C ATOM 171 CD2 LEU A 11 1.594 5.282 9.613 1.00 51.10 C ATOM 0 H LEU A 11 5.113 5.043 8.576 1.00 65.44 H new ATOM 0 HA LEU A 11 3.626 3.485 10.420 1.00 31.44 H new ATOM 0 HB2 LEU A 11 3.586 3.498 7.364 1.00 2.11 H new ATOM 0 HB3 LEU A 11 2.316 2.877 8.399 1.00 2.11 H new ATOM 0 HG LEU A 11 3.186 5.796 8.281 1.00 54.35 H new ATOM 0 HD11 LEU A 11 1.061 6.222 7.086 1.00 4.23 H new ATOM 0 HD12 LEU A 11 2.148 5.155 6.167 1.00 4.23 H new ATOM 0 HD13 LEU A 11 0.751 4.471 7.031 1.00 4.23 H new ATOM 0 HD21 LEU A 11 1.127 6.266 9.575 1.00 51.10 H new ATOM 0 HD22 LEU A 11 0.823 4.518 9.709 1.00 51.10 H new ATOM 0 HD23 LEU A 11 2.264 5.231 10.471 1.00 51.10 H new ATOM 183 N ALA A 12 5.712 1.844 8.432 1.00 43.14 N ATOM 184 CA ALA A 12 6.436 0.575 8.207 1.00 3.51 C ATOM 185 C ALA A 12 7.130 0.056 9.482 1.00 43.45 C ATOM 186 O ALA A 12 7.109 -1.147 9.763 1.00 62.42 O ATOM 187 CB ALA A 12 7.475 0.755 7.098 1.00 31.23 C ATOM 0 H ALA A 12 6.030 2.605 7.832 1.00 43.14 H new ATOM 0 HA ALA A 12 5.694 -0.167 7.912 1.00 3.51 H new ATOM 0 HB1 ALA A 12 8.004 -0.185 6.939 1.00 31.23 H new ATOM 0 HB2 ALA A 12 6.975 1.051 6.176 1.00 31.23 H new ATOM 0 HB3 ALA A 12 8.187 1.527 7.389 1.00 31.23 H new ATOM 193 N GLY A 13 7.752 0.986 10.225 1.00 20.43 N ATOM 194 CA GLY A 13 8.441 0.658 11.475 1.00 12.04 C ATOM 195 C GLY A 13 7.533 0.025 12.531 1.00 31.23 C ATOM 196 O GLY A 13 7.793 -1.083 12.992 1.00 15.21 O ATOM 0 H GLY A 13 7.789 1.975 9.976 1.00 20.43 H new ATOM 0 HA2 GLY A 13 9.262 -0.025 11.258 1.00 12.04 H new ATOM 0 HA3 GLY A 13 8.882 1.566 11.885 1.00 12.04 H new ATOM 200 N GLN A 14 6.423 0.711 12.851 1.00 42.14 N ATOM 201 CA GLN A 14 5.467 0.267 13.899 1.00 55.30 C ATOM 202 C GLN A 14 4.703 -1.026 13.502 1.00 52.24 C ATOM 203 O GLN A 14 4.398 -1.855 14.370 1.00 32.30 O ATOM 204 CB GLN A 14 4.487 1.424 14.247 1.00 63.13 C ATOM 205 CG GLN A 14 3.682 1.969 13.047 1.00 50.44 C ATOM 206 CD GLN A 14 2.892 3.253 13.323 1.00 21.31 C ATOM 207 OE1 GLN A 14 1.841 3.484 12.740 1.00 42.01 O ATOM 208 NE2 GLN A 14 3.403 4.119 14.179 1.00 0.43 N ATOM 0 H GLN A 14 6.157 1.585 12.398 1.00 42.14 H new ATOM 0 HA GLN A 14 6.044 0.014 14.788 1.00 55.30 H new ATOM 0 HB2 GLN A 14 3.789 1.074 15.007 1.00 63.13 H new ATOM 0 HB3 GLN A 14 5.055 2.243 14.688 1.00 63.13 H new ATOM 0 HG2 GLN A 14 4.370 2.154 12.222 1.00 50.44 H new ATOM 0 HG3 GLN A 14 2.987 1.198 12.715 1.00 50.44 H new ATOM 0 HE21 GLN A 14 4.280 3.908 14.655 1.00 0.43 H new ATOM 0 HE22 GLN A 14 2.921 4.998 14.364 1.00 0.43 H new ATOM 217 N ILE A 15 4.406 -1.201 12.190 1.00 65.04 N ATOM 218 CA ILE A 15 3.751 -2.432 11.668 1.00 54.13 C ATOM 219 C ILE A 15 4.705 -3.646 11.753 1.00 44.33 C ATOM 220 O ILE A 15 4.300 -4.739 12.171 1.00 13.23 O ATOM 221 CB ILE A 15 3.216 -2.233 10.193 1.00 74.11 C ATOM 222 CG1 ILE A 15 2.130 -1.110 10.161 1.00 62.03 C ATOM 223 CG2 ILE A 15 2.649 -3.551 9.594 1.00 3.30 C ATOM 224 CD1 ILE A 15 1.627 -0.745 8.772 1.00 61.52 C ATOM 0 H ILE A 15 4.609 -0.506 11.472 1.00 65.04 H new ATOM 0 HA ILE A 15 2.887 -2.633 12.302 1.00 54.13 H new ATOM 0 HB ILE A 15 4.062 -1.934 9.575 1.00 74.11 H new ATOM 0 HG12 ILE A 15 1.282 -1.428 10.767 1.00 62.03 H new ATOM 0 HG13 ILE A 15 2.539 -0.215 10.630 1.00 62.03 H new ATOM 0 HG21 ILE A 15 2.293 -3.366 8.580 1.00 3.30 H new ATOM 0 HG22 ILE A 15 3.434 -4.307 9.571 1.00 3.30 H new ATOM 0 HG23 ILE A 15 1.822 -3.904 10.210 1.00 3.30 H new ATOM 0 HD11 ILE A 15 0.877 0.042 8.852 1.00 61.52 H new ATOM 0 HD12 ILE A 15 2.460 -0.392 8.164 1.00 61.52 H new ATOM 0 HD13 ILE A 15 1.183 -1.623 8.303 1.00 61.52 H new ATOM 236 N TRP A 16 5.980 -3.426 11.377 1.00 24.44 N ATOM 237 CA TRP A 16 7.044 -4.440 11.512 1.00 61.41 C ATOM 238 C TRP A 16 7.231 -4.860 12.997 1.00 0.41 C ATOM 239 O TRP A 16 7.352 -6.043 13.297 1.00 15.22 O ATOM 240 CB TRP A 16 8.382 -3.902 10.927 1.00 53.13 C ATOM 241 CG TRP A 16 9.493 -4.931 10.908 1.00 51.24 C ATOM 242 CD1 TRP A 16 9.754 -5.835 9.919 1.00 71.43 C ATOM 243 CD2 TRP A 16 10.465 -5.180 11.940 1.00 13.32 C ATOM 244 NE1 TRP A 16 10.825 -6.615 10.265 1.00 21.43 N ATOM 245 CE2 TRP A 16 11.274 -6.238 11.503 1.00 75.14 C ATOM 246 CE3 TRP A 16 10.723 -4.604 13.191 1.00 61.30 C ATOM 247 CZ2 TRP A 16 12.326 -6.736 12.267 1.00 70.43 C ATOM 248 CZ3 TRP A 16 11.761 -5.099 13.954 1.00 43.21 C ATOM 249 CH2 TRP A 16 12.552 -6.159 13.489 1.00 61.13 C ATOM 0 H TRP A 16 6.300 -2.546 10.973 1.00 24.44 H new ATOM 0 HA TRP A 16 6.744 -5.323 10.947 1.00 61.41 H new ATOM 0 HB2 TRP A 16 8.208 -3.548 9.911 1.00 53.13 H new ATOM 0 HB3 TRP A 16 8.705 -3.042 11.513 1.00 53.13 H new ATOM 0 HD1 TRP A 16 9.197 -5.922 8.998 1.00 71.43 H new ATOM 0 HE1 TRP A 16 11.225 -7.358 9.692 1.00 21.43 H new ATOM 0 HE3 TRP A 16 10.119 -3.785 13.553 1.00 61.30 H new ATOM 0 HZ2 TRP A 16 12.942 -7.548 11.909 1.00 70.43 H new ATOM 0 HZ3 TRP A 16 11.966 -4.664 14.921 1.00 43.21 H new ATOM 0 HH2 TRP A 16 13.357 -6.529 14.107 1.00 61.13 H new ATOM 260 N GLU A 17 7.250 -3.862 13.908 1.00 73.41 N ATOM 261 CA GLU A 17 7.412 -4.086 15.372 1.00 75.52 C ATOM 262 C GLU A 17 6.191 -4.816 15.996 1.00 60.10 C ATOM 263 O GLU A 17 6.327 -5.507 17.013 1.00 0.31 O ATOM 264 CB GLU A 17 7.676 -2.737 16.091 1.00 53.12 C ATOM 265 CG GLU A 17 9.009 -2.059 15.709 1.00 33.54 C ATOM 266 CD GLU A 17 9.211 -0.696 16.398 1.00 3.52 C ATOM 267 OE1 GLU A 17 8.765 0.337 15.850 1.00 61.55 O ATOM 268 OE2 GLU A 17 9.804 -0.653 17.502 1.00 23.40 O ATOM 0 H GLU A 17 7.154 -2.878 13.655 1.00 73.41 H new ATOM 0 HA GLU A 17 8.273 -4.740 15.512 1.00 75.52 H new ATOM 0 HB2 GLU A 17 6.857 -2.053 15.866 1.00 53.12 H new ATOM 0 HB3 GLU A 17 7.664 -2.905 17.168 1.00 53.12 H new ATOM 0 HG2 GLU A 17 9.835 -2.719 15.973 1.00 33.54 H new ATOM 0 HG3 GLU A 17 9.044 -1.922 14.628 1.00 33.54 H new ATOM 275 N ALA A 18 5.006 -4.657 15.374 1.00 52.20 N ATOM 276 CA ALA A 18 3.781 -5.402 15.758 1.00 20.11 C ATOM 277 C ALA A 18 3.869 -6.887 15.332 1.00 50.24 C ATOM 278 O ALA A 18 3.370 -7.773 16.028 1.00 23.23 O ATOM 279 CB ALA A 18 2.545 -4.751 15.131 1.00 61.41 C ATOM 0 H ALA A 18 4.867 -4.013 14.595 1.00 52.20 H new ATOM 0 HA ALA A 18 3.695 -5.364 16.844 1.00 20.11 H new ATOM 0 HB1 ALA A 18 1.654 -5.308 15.421 1.00 61.41 H new ATOM 0 HB2 ALA A 18 2.459 -3.722 15.480 1.00 61.41 H new ATOM 0 HB3 ALA A 18 2.641 -4.759 14.045 1.00 61.41 H new ATOM 285 N LEU A 19 4.489 -7.130 14.166 1.00 72.30 N ATOM 286 CA LEU A 19 4.738 -8.491 13.635 1.00 13.05 C ATOM 287 C LEU A 19 6.020 -9.124 14.245 1.00 1.51 C ATOM 288 O LEU A 19 6.229 -10.340 14.158 1.00 75.13 O ATOM 289 CB LEU A 19 4.820 -8.404 12.092 1.00 74.42 C ATOM 290 CG LEU A 19 3.516 -7.883 11.398 1.00 72.23 C ATOM 291 CD1 LEU A 19 3.745 -7.583 9.906 1.00 32.42 C ATOM 292 CD2 LEU A 19 2.343 -8.873 11.601 1.00 71.44 C ATOM 0 H LEU A 19 4.835 -6.388 13.558 1.00 72.30 H new ATOM 0 HA LEU A 19 3.916 -9.148 13.920 1.00 13.05 H new ATOM 0 HB2 LEU A 19 5.647 -7.747 11.822 1.00 74.42 H new ATOM 0 HB3 LEU A 19 5.056 -9.392 11.698 1.00 74.42 H new ATOM 0 HG LEU A 19 3.245 -6.942 11.877 1.00 72.23 H new ATOM 0 HD11 LEU A 19 2.817 -7.224 9.460 1.00 32.42 H new ATOM 0 HD12 LEU A 19 4.516 -6.820 9.803 1.00 32.42 H new ATOM 0 HD13 LEU A 19 4.064 -8.492 9.397 1.00 32.42 H new ATOM 0 HD21 LEU A 19 1.451 -8.486 11.109 1.00 71.44 H new ATOM 0 HD22 LEU A 19 2.604 -9.840 11.171 1.00 71.44 H new ATOM 0 HD23 LEU A 19 2.147 -8.991 12.667 1.00 71.44 H new ATOM 304 N ASN A 20 6.863 -8.282 14.867 1.00 5.30 N ATOM 305 CA ASN A 20 8.055 -8.715 15.626 1.00 43.21 C ATOM 306 C ASN A 20 7.622 -9.202 17.028 1.00 35.13 C ATOM 307 O ASN A 20 6.906 -8.492 17.734 1.00 41.34 O ATOM 308 CB ASN A 20 9.062 -7.534 15.726 1.00 23.01 C ATOM 309 CG ASN A 20 10.326 -7.859 16.526 1.00 61.35 C ATOM 310 OD1 ASN A 20 11.313 -8.334 15.982 1.00 75.21 O ATOM 311 ND2 ASN A 20 10.304 -7.611 17.825 1.00 45.22 N ATOM 0 H ASN A 20 6.737 -7.270 14.858 1.00 5.30 H new ATOM 0 HA ASN A 20 8.547 -9.541 15.113 1.00 43.21 H new ATOM 0 HB2 ASN A 20 9.350 -7.229 14.720 1.00 23.01 H new ATOM 0 HB3 ASN A 20 8.562 -6.682 16.186 1.00 23.01 H new ATOM 0 HD21 ASN A 20 11.123 -7.816 18.397 1.00 45.22 H new ATOM 0 HD22 ASN A 20 9.468 -7.214 18.254 1.00 45.22 H new ATOM 318 N GLY A 21 8.053 -10.414 17.419 1.00 50.03 N ATOM 319 CA GLY A 21 7.666 -11.013 18.717 1.00 15.22 C ATOM 320 C GLY A 21 6.426 -11.925 18.640 1.00 34.14 C ATOM 321 O GLY A 21 6.030 -12.528 19.645 1.00 24.23 O ATOM 0 H GLY A 21 8.670 -11.001 16.858 1.00 50.03 H new ATOM 0 HA2 GLY A 21 8.506 -11.590 19.104 1.00 15.22 H new ATOM 0 HA3 GLY A 21 7.473 -10.213 19.432 1.00 15.22 H new ATOM 325 N THR A 22 5.816 -12.026 17.443 1.00 24.32 N ATOM 326 CA THR A 22 4.674 -12.942 17.175 1.00 63.03 C ATOM 327 C THR A 22 4.931 -13.777 15.908 1.00 45.31 C ATOM 328 O THR A 22 5.826 -13.465 15.109 1.00 24.44 O ATOM 329 CB THR A 22 3.311 -12.173 17.027 1.00 4.23 C ATOM 330 OG1 THR A 22 2.237 -13.096 16.745 1.00 72.31 O ATOM 331 CG2 THR A 22 3.357 -11.100 15.928 1.00 40.31 C ATOM 0 H THR A 22 6.096 -11.477 16.630 1.00 24.32 H new ATOM 0 HA THR A 22 4.595 -13.601 18.040 1.00 63.03 H new ATOM 0 HB THR A 22 3.132 -11.672 17.978 1.00 4.23 H new ATOM 0 HG1 THR A 22 1.395 -12.602 16.658 1.00 72.31 H new ATOM 0 HG21 THR A 22 2.391 -10.599 15.868 1.00 40.31 H new ATOM 0 HG22 THR A 22 4.130 -10.369 16.165 1.00 40.31 H new ATOM 0 HG23 THR A 22 3.583 -11.569 14.970 1.00 40.31 H new ATOM 339 N GLU A 23 4.135 -14.843 15.728 1.00 71.34 N ATOM 340 CA GLU A 23 4.257 -15.747 14.567 1.00 14.12 C ATOM 341 C GLU A 23 3.317 -15.338 13.402 1.00 24.24 C ATOM 342 O GLU A 23 3.304 -16.002 12.365 1.00 52.05 O ATOM 343 CB GLU A 23 3.985 -17.214 14.995 1.00 64.43 C ATOM 344 CG GLU A 23 2.560 -17.486 15.517 1.00 52.35 C ATOM 345 CD GLU A 23 2.306 -18.980 15.788 1.00 40.45 C ATOM 346 OE1 GLU A 23 1.897 -19.704 14.851 1.00 72.23 O ATOM 347 OE2 GLU A 23 2.542 -19.439 16.926 1.00 61.20 O ATOM 0 H GLU A 23 3.393 -15.104 16.377 1.00 71.34 H new ATOM 0 HA GLU A 23 5.279 -15.665 14.198 1.00 14.12 H new ATOM 0 HB2 GLU A 23 4.174 -17.867 14.143 1.00 64.43 H new ATOM 0 HB3 GLU A 23 4.699 -17.489 15.772 1.00 64.43 H new ATOM 0 HG2 GLU A 23 2.399 -16.921 16.435 1.00 52.35 H new ATOM 0 HG3 GLU A 23 1.835 -17.124 14.789 1.00 52.35 H new ATOM 354 N GLY A 24 2.531 -14.253 13.580 1.00 62.41 N ATOM 355 CA GLY A 24 1.635 -13.752 12.519 1.00 50.30 C ATOM 356 C GLY A 24 0.302 -13.208 13.038 1.00 45.33 C ATOM 357 O GLY A 24 -0.311 -13.797 13.933 1.00 34.14 O ATOM 0 H GLY A 24 2.500 -13.712 14.444 1.00 62.41 H new ATOM 0 HA2 GLY A 24 2.147 -12.964 11.967 1.00 50.30 H new ATOM 0 HA3 GLY A 24 1.437 -14.559 11.813 1.00 50.30 H new ATOM 361 N LEU A 25 -0.164 -12.092 12.439 1.00 15.40 N ATOM 362 CA LEU A 25 -1.438 -11.417 12.802 1.00 41.12 C ATOM 363 C LEU A 25 -2.235 -11.066 11.518 1.00 11.43 C ATOM 364 O LEU A 25 -1.644 -10.894 10.451 1.00 63.01 O ATOM 365 CB LEU A 25 -1.144 -10.110 13.606 1.00 71.21 C ATOM 366 CG LEU A 25 -0.383 -10.256 14.968 1.00 23.33 C ATOM 367 CD1 LEU A 25 -0.106 -8.873 15.610 1.00 53.10 C ATOM 368 CD2 LEU A 25 -1.147 -11.180 15.944 1.00 15.44 C ATOM 0 H LEU A 25 0.335 -11.626 11.681 1.00 15.40 H new ATOM 0 HA LEU A 25 -2.028 -12.093 13.421 1.00 41.12 H new ATOM 0 HB2 LEU A 25 -0.565 -9.444 12.966 1.00 71.21 H new ATOM 0 HB3 LEU A 25 -2.095 -9.615 13.803 1.00 71.21 H new ATOM 0 HG LEU A 25 0.579 -10.722 14.756 1.00 23.33 H new ATOM 0 HD11 LEU A 25 0.423 -9.009 16.553 1.00 53.10 H new ATOM 0 HD12 LEU A 25 0.505 -8.274 14.935 1.00 53.10 H new ATOM 0 HD13 LEU A 25 -1.051 -8.362 15.794 1.00 53.10 H new ATOM 0 HD21 LEU A 25 -0.592 -11.260 16.879 1.00 15.44 H new ATOM 0 HD22 LEU A 25 -2.134 -10.763 16.142 1.00 15.44 H new ATOM 0 HD23 LEU A 25 -1.254 -12.170 15.500 1.00 15.44 H new ATOM 380 N THR A 26 -3.580 -10.955 11.623 1.00 42.43 N ATOM 381 CA THR A 26 -4.437 -10.450 10.504 1.00 42.15 C ATOM 382 C THR A 26 -4.636 -8.923 10.638 1.00 13.20 C ATOM 383 O THR A 26 -4.254 -8.351 11.657 1.00 5.00 O ATOM 384 CB THR A 26 -5.838 -11.148 10.454 1.00 1.21 C ATOM 385 OG1 THR A 26 -6.632 -10.771 11.589 1.00 32.31 O ATOM 386 CG2 THR A 26 -5.725 -12.680 10.396 1.00 71.40 C ATOM 0 H THR A 26 -4.101 -11.205 12.464 1.00 42.43 H new ATOM 0 HA THR A 26 -3.916 -10.687 9.577 1.00 42.15 H new ATOM 0 HB THR A 26 -6.323 -10.811 9.538 1.00 1.21 H new ATOM 0 HG1 THR A 26 -7.347 -10.166 11.301 1.00 32.31 H new ATOM 0 HG21 THR A 26 -6.723 -13.117 10.363 1.00 71.40 H new ATOM 0 HG22 THR A 26 -5.172 -12.970 9.503 1.00 71.40 H new ATOM 0 HG23 THR A 26 -5.200 -13.040 11.281 1.00 71.40 H new ATOM 394 N GLN A 27 -5.272 -8.283 9.627 1.00 34.41 N ATOM 395 CA GLN A 27 -5.382 -6.799 9.527 1.00 21.03 C ATOM 396 C GLN A 27 -5.915 -6.131 10.832 1.00 64.25 C ATOM 397 O GLN A 27 -5.393 -5.094 11.259 1.00 71.32 O ATOM 398 CB GLN A 27 -6.269 -6.406 8.309 1.00 41.41 C ATOM 399 CG GLN A 27 -6.329 -4.884 8.024 1.00 23.21 C ATOM 400 CD GLN A 27 -7.071 -4.522 6.729 1.00 42.33 C ATOM 401 OE1 GLN A 27 -6.484 -4.463 5.656 1.00 14.22 O ATOM 402 NE2 GLN A 27 -8.360 -4.266 6.814 1.00 54.20 N ATOM 0 H GLN A 27 -5.724 -8.776 8.857 1.00 34.41 H new ATOM 0 HA GLN A 27 -4.371 -6.419 9.380 1.00 21.03 H new ATOM 0 HB2 GLN A 27 -5.892 -6.915 7.422 1.00 41.41 H new ATOM 0 HB3 GLN A 27 -7.282 -6.771 8.480 1.00 41.41 H new ATOM 0 HG2 GLN A 27 -6.817 -4.386 8.862 1.00 23.21 H new ATOM 0 HG3 GLN A 27 -5.313 -4.494 7.970 1.00 23.21 H new ATOM 0 HE21 GLN A 27 -8.832 -4.320 7.716 1.00 54.20 H new ATOM 0 HE22 GLN A 27 -8.886 -4.014 5.977 1.00 54.20 H new ATOM 411 N LYS A 28 -6.936 -6.749 11.465 1.00 11.51 N ATOM 412 CA LYS A 28 -7.507 -6.261 12.751 1.00 75.04 C ATOM 413 C LYS A 28 -6.493 -6.342 13.930 1.00 33.24 C ATOM 414 O LYS A 28 -6.398 -5.403 14.726 1.00 60.43 O ATOM 415 CB LYS A 28 -8.804 -7.035 13.109 1.00 73.31 C ATOM 416 CG LYS A 28 -9.977 -6.812 12.128 1.00 73.02 C ATOM 417 CD LYS A 28 -11.284 -7.508 12.583 1.00 63.34 C ATOM 418 CE LYS A 28 -12.447 -7.304 11.591 1.00 12.14 C ATOM 419 NZ LYS A 28 -12.201 -7.967 10.283 1.00 73.11 N ATOM 0 H LYS A 28 -7.387 -7.591 11.108 1.00 11.51 H new ATOM 0 HA LYS A 28 -7.746 -5.208 12.602 1.00 75.04 H new ATOM 0 HB2 LYS A 28 -8.577 -8.100 13.147 1.00 73.31 H new ATOM 0 HB3 LYS A 28 -9.123 -6.741 14.109 1.00 73.31 H new ATOM 0 HG2 LYS A 28 -10.158 -5.742 12.024 1.00 73.02 H new ATOM 0 HG3 LYS A 28 -9.696 -7.185 11.143 1.00 73.02 H new ATOM 0 HD2 LYS A 28 -11.099 -8.575 12.704 1.00 63.34 H new ATOM 0 HD3 LYS A 28 -11.574 -7.122 13.560 1.00 63.34 H new ATOM 0 HE2 LYS A 28 -13.366 -7.697 12.027 1.00 12.14 H new ATOM 0 HE3 LYS A 28 -12.601 -6.237 11.431 1.00 12.14 H new ATOM 0 HZ1 LYS A 28 -12.987 -7.758 9.635 1.00 73.11 H new ATOM 0 HZ2 LYS A 28 -11.313 -7.612 9.875 1.00 73.11 H new ATOM 0 HZ3 LYS A 28 -12.131 -8.995 10.423 1.00 73.11 H new ATOM 433 N GLN A 29 -5.750 -7.464 14.038 1.00 45.15 N ATOM 434 CA GLN A 29 -4.759 -7.670 15.134 1.00 54.31 C ATOM 435 C GLN A 29 -3.482 -6.814 14.937 1.00 23.33 C ATOM 436 O GLN A 29 -2.854 -6.397 15.918 1.00 62.13 O ATOM 437 CB GLN A 29 -4.374 -9.173 15.295 1.00 10.24 C ATOM 438 CG GLN A 29 -5.482 -10.093 15.861 1.00 72.10 C ATOM 439 CD GLN A 29 -6.570 -10.466 14.857 1.00 23.54 C ATOM 440 OE1 GLN A 29 -7.566 -9.768 14.702 1.00 25.44 O ATOM 441 NE2 GLN A 29 -6.398 -11.588 14.186 1.00 55.43 N ATOM 0 H GLN A 29 -5.812 -8.244 13.384 1.00 45.15 H new ATOM 0 HA GLN A 29 -5.250 -7.340 16.050 1.00 54.31 H new ATOM 0 HB2 GLN A 29 -4.070 -9.558 14.321 1.00 10.24 H new ATOM 0 HB3 GLN A 29 -3.504 -9.238 15.949 1.00 10.24 H new ATOM 0 HG2 GLN A 29 -5.021 -11.007 16.235 1.00 72.10 H new ATOM 0 HG3 GLN A 29 -5.947 -9.598 16.714 1.00 72.10 H new ATOM 0 HE21 GLN A 29 -5.559 -12.148 14.336 1.00 55.43 H new ATOM 0 HE22 GLN A 29 -7.104 -11.896 13.517 1.00 55.43 H new ATOM 450 N ILE A 30 -3.100 -6.568 13.671 1.00 51.11 N ATOM 451 CA ILE A 30 -1.956 -5.693 13.337 1.00 41.12 C ATOM 452 C ILE A 30 -2.271 -4.233 13.724 1.00 2.53 C ATOM 453 O ILE A 30 -1.521 -3.620 14.479 1.00 35.01 O ATOM 454 CB ILE A 30 -1.572 -5.781 11.811 1.00 42.41 C ATOM 455 CG1 ILE A 30 -1.236 -7.256 11.425 1.00 15.22 C ATOM 456 CG2 ILE A 30 -0.384 -4.838 11.476 1.00 74.34 C ATOM 457 CD1 ILE A 30 -1.029 -7.515 9.944 1.00 15.33 C ATOM 0 H ILE A 30 -3.569 -6.964 12.856 1.00 51.11 H new ATOM 0 HA ILE A 30 -1.098 -6.042 13.911 1.00 41.12 H new ATOM 0 HB ILE A 30 -2.429 -5.453 11.223 1.00 42.41 H new ATOM 0 HG12 ILE A 30 -0.333 -7.556 11.958 1.00 15.22 H new ATOM 0 HG13 ILE A 30 -2.043 -7.898 11.779 1.00 15.22 H new ATOM 0 HG21 ILE A 30 -0.142 -4.920 10.416 1.00 74.34 H new ATOM 0 HG22 ILE A 30 -0.660 -3.809 11.706 1.00 74.34 H new ATOM 0 HG23 ILE A 30 0.485 -5.122 12.070 1.00 74.34 H new ATOM 0 HD11 ILE A 30 -0.801 -8.569 9.787 1.00 15.33 H new ATOM 0 HD12 ILE A 30 -1.936 -7.255 9.399 1.00 15.33 H new ATOM 0 HD13 ILE A 30 -0.200 -6.907 9.581 1.00 15.33 H new ATOM 469 N LYS A 31 -3.423 -3.702 13.238 1.00 63.04 N ATOM 470 CA LYS A 31 -3.852 -2.311 13.549 1.00 74.54 C ATOM 471 C LYS A 31 -4.112 -2.116 15.070 1.00 32.51 C ATOM 472 O LYS A 31 -3.987 -1.002 15.593 1.00 1.22 O ATOM 473 CB LYS A 31 -5.088 -1.883 12.709 1.00 11.04 C ATOM 474 CG LYS A 31 -6.437 -2.510 13.131 1.00 42.02 C ATOM 475 CD LYS A 31 -7.623 -2.057 12.242 1.00 21.31 C ATOM 476 CE LYS A 31 -7.854 -0.529 12.262 1.00 4.14 C ATOM 477 NZ LYS A 31 -8.147 -0.012 13.627 1.00 32.04 N ATOM 0 H LYS A 31 -4.068 -4.211 12.634 1.00 63.04 H new ATOM 0 HA LYS A 31 -3.026 -1.657 13.269 1.00 74.54 H new ATOM 0 HB2 LYS A 31 -5.181 -0.798 12.761 1.00 11.04 H new ATOM 0 HB3 LYS A 31 -4.901 -2.138 11.666 1.00 11.04 H new ATOM 0 HG2 LYS A 31 -6.354 -3.596 13.090 1.00 42.02 H new ATOM 0 HG3 LYS A 31 -6.646 -2.245 14.167 1.00 42.02 H new ATOM 0 HD2 LYS A 31 -7.441 -2.376 11.216 1.00 21.31 H new ATOM 0 HD3 LYS A 31 -8.531 -2.559 12.576 1.00 21.31 H new ATOM 0 HE2 LYS A 31 -6.970 -0.027 11.869 1.00 4.14 H new ATOM 0 HE3 LYS A 31 -8.683 -0.282 11.598 1.00 4.14 H new ATOM 0 HZ1 LYS A 31 -9.028 0.541 13.607 1.00 32.04 H new ATOM 0 HZ2 LYS A 31 -8.254 -0.810 14.285 1.00 32.04 H new ATOM 0 HZ3 LYS A 31 -7.364 0.595 13.944 1.00 32.04 H new ATOM 491 N LYS A 32 -4.463 -3.221 15.765 1.00 21.53 N ATOM 492 CA LYS A 32 -4.634 -3.249 17.234 1.00 63.35 C ATOM 493 C LYS A 32 -3.272 -3.022 17.943 1.00 73.02 C ATOM 494 O LYS A 32 -3.140 -2.129 18.784 1.00 71.41 O ATOM 495 CB LYS A 32 -5.241 -4.620 17.656 1.00 75.44 C ATOM 496 CG LYS A 32 -5.499 -4.816 19.173 1.00 34.40 C ATOM 497 CD LYS A 32 -6.650 -3.936 19.729 1.00 74.33 C ATOM 498 CE LYS A 32 -8.034 -4.318 19.162 1.00 0.03 C ATOM 499 NZ LYS A 32 -9.125 -3.503 19.762 1.00 62.11 N ATOM 0 H LYS A 32 -4.636 -4.122 15.320 1.00 21.53 H new ATOM 0 HA LYS A 32 -5.310 -2.448 17.531 1.00 63.35 H new ATOM 0 HB2 LYS A 32 -6.185 -4.754 17.128 1.00 75.44 H new ATOM 0 HB3 LYS A 32 -4.571 -5.410 17.317 1.00 75.44 H new ATOM 0 HG2 LYS A 32 -5.732 -5.864 19.360 1.00 34.40 H new ATOM 0 HG3 LYS A 32 -4.584 -4.590 19.720 1.00 34.40 H new ATOM 0 HD2 LYS A 32 -6.673 -4.022 20.815 1.00 74.33 H new ATOM 0 HD3 LYS A 32 -6.445 -2.891 19.497 1.00 74.33 H new ATOM 0 HE2 LYS A 32 -8.033 -4.183 18.080 1.00 0.03 H new ATOM 0 HE3 LYS A 32 -8.224 -5.374 19.351 1.00 0.03 H new ATOM 0 HZ1 LYS A 32 -10.038 -3.791 19.355 1.00 62.11 H new ATOM 0 HZ2 LYS A 32 -9.143 -3.651 20.791 1.00 62.11 H new ATOM 0 HZ3 LYS A 32 -8.958 -2.497 19.560 1.00 62.11 H new ATOM 513 N ALA A 33 -2.257 -3.825 17.556 1.00 3.13 N ATOM 514 CA ALA A 33 -0.909 -3.800 18.187 1.00 72.41 C ATOM 515 C ALA A 33 -0.082 -2.538 17.809 1.00 20.21 C ATOM 516 O ALA A 33 0.812 -2.124 18.557 1.00 30.21 O ATOM 517 CB ALA A 33 -0.136 -5.081 17.816 1.00 55.40 C ATOM 0 H ALA A 33 -2.343 -4.507 16.802 1.00 3.13 H new ATOM 0 HA ALA A 33 -1.061 -3.757 19.266 1.00 72.41 H new ATOM 0 HB1 ALA A 33 0.850 -5.058 18.280 1.00 55.40 H new ATOM 0 HB2 ALA A 33 -0.685 -5.953 18.172 1.00 55.40 H new ATOM 0 HB3 ALA A 33 -0.026 -5.139 16.733 1.00 55.40 H new ATOM 523 N THR A 34 -0.378 -1.955 16.637 1.00 41.54 N ATOM 524 CA THR A 34 0.306 -0.734 16.116 1.00 20.44 C ATOM 525 C THR A 34 -0.343 0.580 16.602 1.00 34.34 C ATOM 526 O THR A 34 0.271 1.643 16.477 1.00 2.01 O ATOM 527 CB THR A 34 0.257 -0.697 14.561 1.00 34.14 C ATOM 528 OG1 THR A 34 -1.111 -0.796 14.143 1.00 72.21 O ATOM 529 CG2 THR A 34 1.057 -1.822 13.913 1.00 73.22 C ATOM 0 H THR A 34 -1.101 -2.310 16.011 1.00 41.54 H new ATOM 0 HA THR A 34 1.327 -0.798 16.493 1.00 20.44 H new ATOM 0 HB THR A 34 0.707 0.243 14.241 1.00 34.14 H new ATOM 0 HG1 THR A 34 -1.414 -1.724 14.233 1.00 72.21 H new ATOM 0 HG21 THR A 34 0.984 -1.742 12.828 1.00 73.22 H new ATOM 0 HG22 THR A 34 2.102 -1.745 14.213 1.00 73.22 H new ATOM 0 HG23 THR A 34 0.657 -2.784 14.234 1.00 73.22 H new ATOM 537 N LYS A 35 -1.603 0.487 17.090 1.00 63.51 N ATOM 538 CA LYS A 35 -2.461 1.651 17.454 1.00 41.34 C ATOM 539 C LYS A 35 -2.976 2.419 16.197 1.00 14.13 C ATOM 540 O LYS A 35 -3.417 3.570 16.312 1.00 12.24 O ATOM 541 CB LYS A 35 -1.747 2.637 18.443 1.00 52.53 C ATOM 542 CG LYS A 35 -1.291 2.042 19.807 1.00 4.12 C ATOM 543 CD LYS A 35 -2.407 1.976 20.891 1.00 44.42 C ATOM 544 CE LYS A 35 -3.362 0.784 20.738 1.00 62.31 C ATOM 545 NZ LYS A 35 -2.662 -0.519 20.887 1.00 13.10 N ATOM 0 H LYS A 35 -2.063 -0.410 17.246 1.00 63.51 H new ATOM 0 HA LYS A 35 -3.324 1.232 17.970 1.00 41.34 H new ATOM 0 HB2 LYS A 35 -0.872 3.050 17.941 1.00 52.53 H new ATOM 0 HB3 LYS A 35 -2.422 3.469 18.642 1.00 52.53 H new ATOM 0 HG2 LYS A 35 -0.906 1.036 19.639 1.00 4.12 H new ATOM 0 HG3 LYS A 35 -0.464 2.640 20.191 1.00 4.12 H new ATOM 0 HD2 LYS A 35 -1.940 1.929 21.875 1.00 44.42 H new ATOM 0 HD3 LYS A 35 -2.987 2.898 20.857 1.00 44.42 H new ATOM 0 HE2 LYS A 35 -4.153 0.857 21.484 1.00 62.31 H new ATOM 0 HE3 LYS A 35 -3.841 0.827 19.760 1.00 62.31 H new ATOM 0 HZ1 LYS A 35 -2.519 -0.945 19.949 1.00 13.10 H new ATOM 0 HZ2 LYS A 35 -1.740 -0.367 21.343 1.00 13.10 H new ATOM 0 HZ3 LYS A 35 -3.237 -1.157 21.473 1.00 13.10 H new ATOM 559 N LEU A 36 -2.951 1.760 15.008 1.00 23.22 N ATOM 560 CA LEU A 36 -3.453 2.366 13.746 1.00 52.42 C ATOM 561 C LEU A 36 -4.966 2.654 13.844 1.00 71.21 C ATOM 562 O LEU A 36 -5.773 1.728 14.004 1.00 42.42 O ATOM 563 CB LEU A 36 -3.171 1.464 12.507 1.00 41.23 C ATOM 564 CG LEU A 36 -1.685 1.373 12.038 1.00 72.32 C ATOM 565 CD1 LEU A 36 -1.529 0.373 10.876 1.00 52.13 C ATOM 566 CD2 LEU A 36 -1.115 2.757 11.669 1.00 35.13 C ATOM 0 H LEU A 36 -2.590 0.812 14.898 1.00 23.22 H new ATOM 0 HA LEU A 36 -2.912 3.302 13.609 1.00 52.42 H new ATOM 0 HB2 LEU A 36 -3.521 0.456 12.731 1.00 41.23 H new ATOM 0 HB3 LEU A 36 -3.770 1.831 11.674 1.00 41.23 H new ATOM 0 HG LEU A 36 -1.101 1.000 12.879 1.00 72.32 H new ATOM 0 HD11 LEU A 36 -0.484 0.331 10.570 1.00 52.13 H new ATOM 0 HD12 LEU A 36 -1.852 -0.616 11.201 1.00 52.13 H new ATOM 0 HD13 LEU A 36 -2.141 0.696 10.033 1.00 52.13 H new ATOM 0 HD21 LEU A 36 -0.079 2.650 11.348 1.00 35.13 H new ATOM 0 HD22 LEU A 36 -1.703 3.189 10.859 1.00 35.13 H new ATOM 0 HD23 LEU A 36 -1.159 3.412 12.539 1.00 35.13 H new ATOM 578 N LYS A 37 -5.327 3.946 13.764 1.00 24.31 N ATOM 579 CA LYS A 37 -6.734 4.397 13.819 1.00 44.02 C ATOM 580 C LYS A 37 -7.509 3.948 12.549 1.00 2.22 C ATOM 581 O LYS A 37 -8.710 3.669 12.603 1.00 22.42 O ATOM 582 CB LYS A 37 -6.792 5.948 13.978 1.00 30.12 C ATOM 583 CG LYS A 37 -5.910 6.529 15.121 1.00 43.44 C ATOM 584 CD LYS A 37 -6.246 5.957 16.526 1.00 24.12 C ATOM 585 CE LYS A 37 -7.681 6.274 16.992 1.00 1.45 C ATOM 586 NZ LYS A 37 -7.955 5.728 18.343 1.00 4.41 N ATOM 0 H LYS A 37 -4.656 4.707 13.660 1.00 24.31 H new ATOM 0 HA LYS A 37 -7.212 3.937 14.684 1.00 44.02 H new ATOM 0 HB2 LYS A 37 -6.487 6.406 13.037 1.00 30.12 H new ATOM 0 HB3 LYS A 37 -7.827 6.241 14.154 1.00 30.12 H new ATOM 0 HG2 LYS A 37 -4.863 6.326 14.898 1.00 43.44 H new ATOM 0 HG3 LYS A 37 -6.027 7.612 15.143 1.00 43.44 H new ATOM 0 HD2 LYS A 37 -6.108 4.876 16.512 1.00 24.12 H new ATOM 0 HD3 LYS A 37 -5.539 6.360 17.252 1.00 24.12 H new ATOM 0 HE2 LYS A 37 -7.831 7.354 16.999 1.00 1.45 H new ATOM 0 HE3 LYS A 37 -8.394 5.858 16.280 1.00 1.45 H new ATOM 0 HZ1 LYS A 37 -8.930 5.962 18.621 1.00 4.41 H new ATOM 0 HZ2 LYS A 37 -7.837 4.695 18.330 1.00 4.41 H new ATOM 0 HZ3 LYS A 37 -7.291 6.144 19.027 1.00 4.41 H new ATOM 600 N ALA A 38 -6.786 3.865 11.415 1.00 20.51 N ATOM 601 CA ALA A 38 -7.354 3.483 10.105 1.00 41.34 C ATOM 602 C ALA A 38 -6.445 2.484 9.341 1.00 24.22 C ATOM 603 O ALA A 38 -5.212 2.514 9.461 1.00 61.23 O ATOM 604 CB ALA A 38 -7.592 4.748 9.267 1.00 34.42 C ATOM 0 H ALA A 38 -5.786 4.062 11.381 1.00 20.51 H new ATOM 0 HA ALA A 38 -8.301 2.974 10.281 1.00 41.34 H new ATOM 0 HB1 ALA A 38 -8.011 4.470 8.300 1.00 34.42 H new ATOM 0 HB2 ALA A 38 -8.288 5.405 9.789 1.00 34.42 H new ATOM 0 HB3 ALA A 38 -6.646 5.268 9.117 1.00 34.42 H new ATOM 610 N ASP A 39 -7.102 1.602 8.561 1.00 24.51 N ATOM 611 CA ASP A 39 -6.462 0.661 7.598 1.00 53.41 C ATOM 612 C ASP A 39 -5.642 1.393 6.499 1.00 31.33 C ATOM 613 O ASP A 39 -4.737 0.810 5.906 1.00 41.53 O ATOM 614 CB ASP A 39 -7.550 -0.256 6.961 1.00 35.10 C ATOM 615 CG ASP A 39 -8.765 0.529 6.418 1.00 71.30 C ATOM 616 OD1 ASP A 39 -8.663 1.166 5.346 1.00 11.10 O ATOM 617 OD2 ASP A 39 -9.826 0.527 7.070 1.00 41.22 O ATOM 0 H ASP A 39 -8.118 1.516 8.578 1.00 24.51 H new ATOM 0 HA ASP A 39 -5.751 0.051 8.155 1.00 53.41 H new ATOM 0 HB2 ASP A 39 -7.103 -0.829 6.149 1.00 35.10 H new ATOM 0 HB3 ASP A 39 -7.893 -0.974 7.706 1.00 35.10 H new ATOM 622 N LYS A 40 -5.995 2.662 6.238 1.00 72.02 N ATOM 623 CA LYS A 40 -5.335 3.534 5.221 1.00 33.32 C ATOM 624 C LYS A 40 -3.797 3.564 5.399 1.00 24.34 C ATOM 625 O LYS A 40 -3.034 3.448 4.436 1.00 62.51 O ATOM 626 CB LYS A 40 -5.885 4.978 5.364 1.00 32.44 C ATOM 627 CG LYS A 40 -7.425 5.067 5.445 1.00 20.24 C ATOM 628 CD LYS A 40 -8.149 4.817 4.112 1.00 54.24 C ATOM 629 CE LYS A 40 -7.902 5.913 3.065 1.00 11.35 C ATOM 630 NZ LYS A 40 -8.710 5.686 1.842 1.00 23.34 N ATOM 0 H LYS A 40 -6.757 3.129 6.729 1.00 72.02 H new ATOM 0 HA LYS A 40 -5.554 3.127 4.234 1.00 33.32 H new ATOM 0 HB2 LYS A 40 -5.459 5.429 6.260 1.00 32.44 H new ATOM 0 HB3 LYS A 40 -5.543 5.570 4.515 1.00 32.44 H new ATOM 0 HG2 LYS A 40 -7.780 4.343 6.178 1.00 20.24 H new ATOM 0 HG3 LYS A 40 -7.700 6.055 5.814 1.00 20.24 H new ATOM 0 HD2 LYS A 40 -7.825 3.859 3.706 1.00 54.24 H new ATOM 0 HD3 LYS A 40 -9.220 4.739 4.299 1.00 54.24 H new ATOM 0 HE2 LYS A 40 -8.148 6.886 3.490 1.00 11.35 H new ATOM 0 HE3 LYS A 40 -6.844 5.937 2.804 1.00 11.35 H new ATOM 0 HZ1 LYS A 40 -8.680 6.536 1.243 1.00 23.34 H new ATOM 0 HZ2 LYS A 40 -8.322 4.878 1.315 1.00 23.34 H new ATOM 0 HZ3 LYS A 40 -9.695 5.485 2.109 1.00 23.34 H new ATOM 644 N ASP A 41 -3.385 3.697 6.667 1.00 30.24 N ATOM 645 CA ASP A 41 -1.975 3.750 7.086 1.00 1.14 C ATOM 646 C ASP A 41 -1.314 2.353 7.025 1.00 15.24 C ATOM 647 O ASP A 41 -0.105 2.234 6.780 1.00 13.42 O ATOM 648 CB ASP A 41 -1.901 4.311 8.519 1.00 42.55 C ATOM 649 CG ASP A 41 -2.578 5.681 8.651 1.00 70.32 C ATOM 650 OD1 ASP A 41 -3.830 5.734 8.683 1.00 51.41 O ATOM 651 OD2 ASP A 41 -1.873 6.710 8.713 1.00 34.14 O ATOM 0 H ASP A 41 -4.036 3.773 7.448 1.00 30.24 H new ATOM 0 HA ASP A 41 -1.430 4.400 6.401 1.00 1.14 H new ATOM 0 HB2 ASP A 41 -2.374 3.608 9.205 1.00 42.55 H new ATOM 0 HB3 ASP A 41 -0.856 4.395 8.819 1.00 42.55 H new ATOM 656 N PHE A 42 -2.135 1.307 7.263 1.00 72.23 N ATOM 657 CA PHE A 42 -1.705 -0.107 7.179 1.00 75.51 C ATOM 658 C PHE A 42 -1.204 -0.459 5.763 1.00 35.33 C ATOM 659 O PHE A 42 -0.178 -1.102 5.626 1.00 61.51 O ATOM 660 CB PHE A 42 -2.864 -1.057 7.612 1.00 52.22 C ATOM 661 CG PHE A 42 -2.614 -2.550 7.371 1.00 42.14 C ATOM 662 CD1 PHE A 42 -1.671 -3.252 8.123 1.00 44.32 C ATOM 663 CD2 PHE A 42 -3.326 -3.253 6.390 1.00 21.20 C ATOM 664 CE1 PHE A 42 -1.456 -4.601 7.906 1.00 12.12 C ATOM 665 CE2 PHE A 42 -3.106 -4.603 6.179 1.00 12.32 C ATOM 666 CZ PHE A 42 -2.171 -5.275 6.936 1.00 21.41 C ATOM 0 H PHE A 42 -3.116 1.419 7.519 1.00 72.23 H new ATOM 0 HA PHE A 42 -0.870 -0.246 7.866 1.00 75.51 H new ATOM 0 HB2 PHE A 42 -3.058 -0.905 8.674 1.00 52.22 H new ATOM 0 HB3 PHE A 42 -3.768 -0.766 7.078 1.00 52.22 H new ATOM 0 HD1 PHE A 42 -1.103 -2.736 8.883 1.00 44.32 H new ATOM 0 HD2 PHE A 42 -4.058 -2.733 5.789 1.00 21.20 H new ATOM 0 HE1 PHE A 42 -0.725 -5.130 8.499 1.00 12.12 H new ATOM 0 HE2 PHE A 42 -3.667 -5.130 5.421 1.00 12.32 H new ATOM 0 HZ PHE A 42 -1.998 -6.328 6.771 1.00 21.41 H new ATOM 676 N PHE A 43 -1.929 -0.007 4.728 1.00 14.13 N ATOM 677 CA PHE A 43 -1.612 -0.326 3.312 1.00 60.24 C ATOM 678 C PHE A 43 -0.247 0.270 2.858 1.00 21.13 C ATOM 679 O PHE A 43 0.539 -0.407 2.184 1.00 31.44 O ATOM 680 CB PHE A 43 -2.754 0.169 2.391 1.00 62.24 C ATOM 681 CG PHE A 43 -4.136 -0.399 2.731 1.00 51.12 C ATOM 682 CD1 PHE A 43 -4.329 -1.777 2.861 1.00 23.23 C ATOM 683 CD2 PHE A 43 -5.235 0.440 2.928 1.00 32.23 C ATOM 684 CE1 PHE A 43 -5.570 -2.296 3.178 1.00 44.20 C ATOM 685 CE2 PHE A 43 -6.475 -0.077 3.243 1.00 20.32 C ATOM 686 CZ PHE A 43 -6.644 -1.446 3.369 1.00 12.40 C ATOM 0 H PHE A 43 -2.750 0.588 4.840 1.00 14.13 H new ATOM 0 HA PHE A 43 -1.524 -1.410 3.233 1.00 60.24 H new ATOM 0 HB2 PHE A 43 -2.800 1.257 2.443 1.00 62.24 H new ATOM 0 HB3 PHE A 43 -2.512 -0.091 1.361 1.00 62.24 H new ATOM 0 HD1 PHE A 43 -3.495 -2.447 2.711 1.00 23.23 H new ATOM 0 HD2 PHE A 43 -5.113 1.509 2.832 1.00 32.23 H new ATOM 0 HE1 PHE A 43 -5.701 -3.364 3.276 1.00 44.20 H new ATOM 0 HE2 PHE A 43 -7.314 0.586 3.391 1.00 20.32 H new ATOM 0 HZ PHE A 43 -7.615 -1.850 3.616 1.00 12.40 H new ATOM 696 N LEU A 44 0.024 1.537 3.249 1.00 65.15 N ATOM 697 CA LEU A 44 1.304 2.233 2.930 1.00 24.12 C ATOM 698 C LEU A 44 2.508 1.577 3.655 1.00 73.21 C ATOM 699 O LEU A 44 3.542 1.298 3.030 1.00 65.04 O ATOM 700 CB LEU A 44 1.219 3.756 3.285 1.00 14.41 C ATOM 701 CG LEU A 44 0.535 4.686 2.224 1.00 52.42 C ATOM 702 CD1 LEU A 44 -0.961 4.350 2.019 1.00 15.24 C ATOM 703 CD2 LEU A 44 0.736 6.184 2.579 1.00 5.22 C ATOM 0 H LEU A 44 -0.628 2.106 3.789 1.00 65.15 H new ATOM 0 HA LEU A 44 1.465 2.135 1.856 1.00 24.12 H new ATOM 0 HB2 LEU A 44 0.678 3.857 4.226 1.00 14.41 H new ATOM 0 HB3 LEU A 44 2.231 4.123 3.458 1.00 14.41 H new ATOM 0 HG LEU A 44 1.030 4.496 1.272 1.00 52.42 H new ATOM 0 HD11 LEU A 44 -1.386 5.023 1.275 1.00 15.24 H new ATOM 0 HD12 LEU A 44 -1.059 3.320 1.675 1.00 15.24 H new ATOM 0 HD13 LEU A 44 -1.493 4.470 2.963 1.00 15.24 H new ATOM 0 HD21 LEU A 44 0.251 6.805 1.826 1.00 5.22 H new ATOM 0 HD22 LEU A 44 0.297 6.389 3.555 1.00 5.22 H new ATOM 0 HD23 LEU A 44 1.802 6.412 2.606 1.00 5.22 H new ATOM 715 N GLY A 45 2.347 1.325 4.970 1.00 20.05 N ATOM 716 CA GLY A 45 3.399 0.693 5.782 1.00 55.14 C ATOM 717 C GLY A 45 3.708 -0.746 5.352 1.00 35.34 C ATOM 718 O GLY A 45 4.864 -1.115 5.183 1.00 24.21 O ATOM 0 H GLY A 45 1.498 1.550 5.489 1.00 20.05 H new ATOM 0 HA2 GLY A 45 4.309 1.289 5.715 1.00 55.14 H new ATOM 0 HA3 GLY A 45 3.093 0.695 6.828 1.00 55.14 H new ATOM 722 N LEU A 46 2.641 -1.534 5.133 1.00 20.55 N ATOM 723 CA LEU A 46 2.724 -2.952 4.691 1.00 72.51 C ATOM 724 C LEU A 46 3.491 -3.099 3.355 1.00 10.13 C ATOM 725 O LEU A 46 4.312 -4.005 3.191 1.00 73.10 O ATOM 726 CB LEU A 46 1.292 -3.532 4.526 1.00 73.11 C ATOM 727 CG LEU A 46 1.198 -5.001 4.024 1.00 21.44 C ATOM 728 CD1 LEU A 46 1.928 -5.944 4.992 1.00 75.41 C ATOM 729 CD2 LEU A 46 -0.274 -5.432 3.796 1.00 2.54 C ATOM 0 H LEU A 46 1.683 -1.208 5.257 1.00 20.55 H new ATOM 0 HA LEU A 46 3.272 -3.503 5.455 1.00 72.51 H new ATOM 0 HB2 LEU A 46 0.783 -3.466 5.488 1.00 73.11 H new ATOM 0 HB3 LEU A 46 0.743 -2.897 3.830 1.00 73.11 H new ATOM 0 HG LEU A 46 1.695 -5.064 3.056 1.00 21.44 H new ATOM 0 HD11 LEU A 46 1.854 -6.969 4.627 1.00 75.41 H new ATOM 0 HD12 LEU A 46 2.978 -5.657 5.057 1.00 75.41 H new ATOM 0 HD13 LEU A 46 1.472 -5.876 5.980 1.00 75.41 H new ATOM 0 HD21 LEU A 46 -0.301 -6.464 3.446 1.00 2.54 H new ATOM 0 HD22 LEU A 46 -0.826 -5.352 4.733 1.00 2.54 H new ATOM 0 HD23 LEU A 46 -0.732 -4.783 3.049 1.00 2.54 H new ATOM 741 N GLY A 47 3.217 -2.169 2.435 1.00 21.24 N ATOM 742 CA GLY A 47 3.847 -2.150 1.101 1.00 73.50 C ATOM 743 C GLY A 47 5.365 -1.948 1.174 1.00 23.25 C ATOM 744 O GLY A 47 6.128 -2.456 0.343 1.00 13.30 O ATOM 0 H GLY A 47 2.555 -1.408 2.588 1.00 21.24 H new ATOM 0 HA2 GLY A 47 3.632 -3.087 0.587 1.00 73.50 H new ATOM 0 HA3 GLY A 47 3.405 -1.351 0.505 1.00 73.50 H new ATOM 748 N TRP A 48 5.785 -1.207 2.209 1.00 23.40 N ATOM 749 CA TRP A 48 7.197 -0.934 2.512 1.00 22.54 C ATOM 750 C TRP A 48 7.900 -2.178 3.144 1.00 15.01 C ATOM 751 O TRP A 48 9.117 -2.353 3.039 1.00 23.02 O ATOM 752 CB TRP A 48 7.264 0.279 3.470 1.00 64.50 C ATOM 753 CG TRP A 48 8.612 0.930 3.509 1.00 73.34 C ATOM 754 CD1 TRP A 48 9.685 0.594 4.280 1.00 71.34 C ATOM 755 CD2 TRP A 48 9.022 2.024 2.700 1.00 41.54 C ATOM 756 NE1 TRP A 48 10.740 1.402 3.980 1.00 24.01 N ATOM 757 CE2 TRP A 48 10.354 2.296 3.019 1.00 30.35 C ATOM 758 CE3 TRP A 48 8.378 2.797 1.733 1.00 30.13 C ATOM 759 CZ2 TRP A 48 11.067 3.300 2.399 1.00 32.44 C ATOM 760 CZ3 TRP A 48 9.084 3.803 1.120 1.00 71.20 C ATOM 761 CH2 TRP A 48 10.419 4.048 1.452 1.00 71.32 C ATOM 0 H TRP A 48 5.142 -0.773 2.871 1.00 23.40 H new ATOM 0 HA TRP A 48 7.726 -0.710 1.586 1.00 22.54 H new ATOM 0 HB2 TRP A 48 6.521 1.016 3.164 1.00 64.50 H new ATOM 0 HB3 TRP A 48 6.996 -0.046 4.475 1.00 64.50 H new ATOM 0 HD1 TRP A 48 9.697 -0.194 5.018 1.00 71.34 H new ATOM 0 HE1 TRP A 48 11.667 1.349 4.403 1.00 24.01 H new ATOM 0 HE3 TRP A 48 7.347 2.608 1.472 1.00 30.13 H new ATOM 0 HZ2 TRP A 48 12.100 3.490 2.651 1.00 32.44 H new ATOM 0 HZ3 TRP A 48 8.601 4.413 0.371 1.00 71.20 H new ATOM 0 HH2 TRP A 48 10.951 4.844 0.952 1.00 71.32 H new ATOM 772 N LEU A 49 7.126 -3.019 3.834 1.00 22.44 N ATOM 773 CA LEU A 49 7.613 -4.322 4.359 1.00 30.42 C ATOM 774 C LEU A 49 7.786 -5.338 3.204 1.00 43.23 C ATOM 775 O LEU A 49 8.690 -6.182 3.228 1.00 40.12 O ATOM 776 CB LEU A 49 6.634 -4.866 5.440 1.00 20.32 C ATOM 777 CG LEU A 49 6.746 -4.275 6.888 1.00 3.40 C ATOM 778 CD1 LEU A 49 6.859 -2.759 6.884 1.00 1.24 C ATOM 779 CD2 LEU A 49 5.541 -4.714 7.747 1.00 42.40 C ATOM 0 H LEU A 49 6.147 -2.829 4.050 1.00 22.44 H new ATOM 0 HA LEU A 49 8.587 -4.173 4.826 1.00 30.42 H new ATOM 0 HB2 LEU A 49 5.617 -4.697 5.087 1.00 20.32 H new ATOM 0 HB3 LEU A 49 6.774 -5.945 5.506 1.00 20.32 H new ATOM 0 HG LEU A 49 7.663 -4.671 7.324 1.00 3.40 H new ATOM 0 HD11 LEU A 49 6.934 -2.397 7.909 1.00 1.24 H new ATOM 0 HD12 LEU A 49 7.748 -2.462 6.328 1.00 1.24 H new ATOM 0 HD13 LEU A 49 5.976 -2.330 6.411 1.00 1.24 H new ATOM 0 HD21 LEU A 49 5.636 -4.294 8.749 1.00 42.40 H new ATOM 0 HD22 LEU A 49 4.619 -4.356 7.290 1.00 42.40 H new ATOM 0 HD23 LEU A 49 5.516 -5.802 7.810 1.00 42.40 H new ATOM 791 N LEU A 50 6.892 -5.233 2.198 1.00 73.24 N ATOM 792 CA LEU A 50 6.939 -6.046 0.967 1.00 11.53 C ATOM 793 C LEU A 50 8.165 -5.692 0.088 1.00 43.20 C ATOM 794 O LEU A 50 8.773 -6.590 -0.507 1.00 22.52 O ATOM 795 CB LEU A 50 5.619 -5.877 0.159 1.00 11.24 C ATOM 796 CG LEU A 50 4.315 -6.353 0.881 1.00 63.22 C ATOM 797 CD1 LEU A 50 3.052 -6.079 0.030 1.00 2.21 C ATOM 798 CD2 LEU A 50 4.420 -7.842 1.280 1.00 44.23 C ATOM 0 H LEU A 50 6.112 -4.576 2.219 1.00 73.24 H new ATOM 0 HA LEU A 50 7.043 -7.090 1.264 1.00 11.53 H new ATOM 0 HB2 LEU A 50 5.505 -4.824 -0.100 1.00 11.24 H new ATOM 0 HB3 LEU A 50 5.715 -6.427 -0.777 1.00 11.24 H new ATOM 0 HG LEU A 50 4.212 -5.768 1.795 1.00 63.22 H new ATOM 0 HD11 LEU A 50 2.169 -6.424 0.568 1.00 2.21 H new ATOM 0 HD12 LEU A 50 2.966 -5.009 -0.159 1.00 2.21 H new ATOM 0 HD13 LEU A 50 3.130 -6.610 -0.919 1.00 2.21 H new ATOM 0 HD21 LEU A 50 3.502 -8.150 1.780 1.00 44.23 H new ATOM 0 HD22 LEU A 50 4.568 -8.449 0.386 1.00 44.23 H new ATOM 0 HD23 LEU A 50 5.265 -7.979 1.955 1.00 44.23 H new ATOM 810 N ARG A 51 8.533 -4.382 0.022 1.00 53.10 N ATOM 811 CA ARG A 51 9.688 -3.925 -0.800 1.00 61.03 C ATOM 812 C ARG A 51 11.017 -4.557 -0.323 1.00 21.10 C ATOM 813 O ARG A 51 11.866 -4.937 -1.134 1.00 52.05 O ATOM 814 CB ARG A 51 9.828 -2.364 -0.838 1.00 24.35 C ATOM 815 CG ARG A 51 10.497 -1.676 0.385 1.00 41.21 C ATOM 816 CD ARG A 51 10.999 -0.248 0.114 1.00 33.52 C ATOM 817 NE ARG A 51 11.900 0.203 1.200 1.00 54.04 N ATOM 818 CZ ARG A 51 13.104 0.729 1.040 1.00 15.34 C ATOM 819 NH1 ARG A 51 13.611 0.911 -0.142 1.00 64.32 N ATOM 820 NH2 ARG A 51 13.791 1.051 2.088 1.00 50.10 N ATOM 0 H ARG A 51 8.053 -3.633 0.521 1.00 53.10 H new ATOM 0 HA ARG A 51 9.478 -4.265 -1.814 1.00 61.03 H new ATOM 0 HB2 ARG A 51 10.399 -2.099 -1.728 1.00 24.35 H new ATOM 0 HB3 ARG A 51 8.832 -1.939 -0.960 1.00 24.35 H new ATOM 0 HG2 ARG A 51 9.781 -1.647 1.207 1.00 41.21 H new ATOM 0 HG3 ARG A 51 11.337 -2.287 0.716 1.00 41.21 H new ATOM 0 HD2 ARG A 51 11.526 -0.217 -0.840 1.00 33.52 H new ATOM 0 HD3 ARG A 51 10.151 0.432 0.032 1.00 33.52 H new ATOM 0 HE ARG A 51 11.562 0.099 2.157 1.00 54.04 H new ATOM 0 HH11 ARG A 51 13.079 0.647 -0.971 1.00 64.32 H new ATOM 0 HH12 ARG A 51 14.541 1.318 -0.241 1.00 64.32 H new ATOM 0 HH21 ARG A 51 13.403 0.898 3.019 1.00 50.10 H new ATOM 0 HH22 ARG A 51 14.721 1.457 1.983 1.00 50.10 H new ATOM 834 N GLU A 52 11.169 -4.667 1.009 1.00 11.10 N ATOM 835 CA GLU A 52 12.383 -5.199 1.660 1.00 70.14 C ATOM 836 C GLU A 52 12.270 -6.712 1.944 1.00 13.32 C ATOM 837 O GLU A 52 13.218 -7.300 2.476 1.00 53.14 O ATOM 838 CB GLU A 52 12.643 -4.411 2.977 1.00 45.11 C ATOM 839 CG GLU A 52 13.029 -2.922 2.774 1.00 62.13 C ATOM 840 CD GLU A 52 13.088 -2.103 4.077 1.00 14.44 C ATOM 841 OE1 GLU A 52 13.683 -2.584 5.065 1.00 73.03 O ATOM 842 OE2 GLU A 52 12.521 -0.989 4.129 1.00 51.53 O ATOM 0 H GLU A 52 10.446 -4.387 1.672 1.00 11.10 H new ATOM 0 HA GLU A 52 13.224 -5.068 0.979 1.00 70.14 H new ATOM 0 HB2 GLU A 52 11.747 -4.459 3.596 1.00 45.11 H new ATOM 0 HB3 GLU A 52 13.440 -4.907 3.530 1.00 45.11 H new ATOM 0 HG2 GLU A 52 14.001 -2.874 2.283 1.00 62.13 H new ATOM 0 HG3 GLU A 52 12.308 -2.460 2.100 1.00 62.13 H new ATOM 849 N ASP A 53 11.092 -7.316 1.630 1.00 71.04 N ATOM 850 CA ASP A 53 10.837 -8.773 1.778 1.00 3.42 C ATOM 851 C ASP A 53 10.889 -9.235 3.252 1.00 32.20 C ATOM 852 O ASP A 53 11.147 -10.405 3.535 1.00 61.10 O ATOM 853 CB ASP A 53 11.811 -9.596 0.888 1.00 70.11 C ATOM 854 CG ASP A 53 11.425 -9.562 -0.596 1.00 33.42 C ATOM 855 OD1 ASP A 53 11.629 -8.521 -1.255 1.00 13.32 O ATOM 856 OD2 ASP A 53 10.889 -10.573 -1.104 1.00 54.12 O ATOM 0 H ASP A 53 10.290 -6.802 1.266 1.00 71.04 H new ATOM 0 HA ASP A 53 9.820 -8.959 1.433 1.00 3.42 H new ATOM 0 HB2 ASP A 53 12.822 -9.206 1.006 1.00 70.11 H new ATOM 0 HB3 ASP A 53 11.826 -10.630 1.232 1.00 70.11 H new ATOM 861 N LYS A 54 10.578 -8.314 4.177 1.00 61.13 N ATOM 862 CA LYS A 54 10.568 -8.591 5.625 1.00 44.55 C ATOM 863 C LYS A 54 9.324 -9.404 6.034 1.00 12.40 C ATOM 864 O LYS A 54 9.330 -10.058 7.077 1.00 41.31 O ATOM 865 CB LYS A 54 10.627 -7.250 6.406 1.00 61.42 C ATOM 866 CG LYS A 54 11.934 -6.454 6.170 1.00 12.24 C ATOM 867 CD LYS A 54 11.981 -5.094 6.910 1.00 53.03 C ATOM 868 CE LYS A 54 10.883 -4.108 6.454 1.00 5.24 C ATOM 869 NZ LYS A 54 11.125 -2.734 6.967 1.00 1.53 N ATOM 0 H LYS A 54 10.326 -7.354 3.943 1.00 61.13 H new ATOM 0 HA LYS A 54 11.443 -9.193 5.871 1.00 44.55 H new ATOM 0 HB2 LYS A 54 9.777 -6.632 6.116 1.00 61.42 H new ATOM 0 HB3 LYS A 54 10.523 -7.455 7.472 1.00 61.42 H new ATOM 0 HG2 LYS A 54 12.781 -7.061 6.491 1.00 12.24 H new ATOM 0 HG3 LYS A 54 12.054 -6.279 5.101 1.00 12.24 H new ATOM 0 HD2 LYS A 54 11.880 -5.268 7.981 1.00 53.03 H new ATOM 0 HD3 LYS A 54 12.958 -4.637 6.752 1.00 53.03 H new ATOM 0 HE2 LYS A 54 10.843 -4.087 5.365 1.00 5.24 H new ATOM 0 HE3 LYS A 54 9.912 -4.460 6.802 1.00 5.24 H new ATOM 0 HZ1 LYS A 54 10.317 -2.126 6.726 1.00 1.53 H new ATOM 0 HZ2 LYS A 54 11.239 -2.764 8.000 1.00 1.53 H new ATOM 0 HZ3 LYS A 54 11.989 -2.349 6.534 1.00 1.53 H new ATOM 883 N VAL A 55 8.262 -9.374 5.194 1.00 2.43 N ATOM 884 CA VAL A 55 6.978 -10.054 5.491 1.00 63.02 C ATOM 885 C VAL A 55 6.431 -10.817 4.264 1.00 25.02 C ATOM 886 O VAL A 55 6.880 -10.619 3.125 1.00 24.42 O ATOM 887 CB VAL A 55 5.862 -9.063 5.999 1.00 10.20 C ATOM 888 CG1 VAL A 55 6.292 -8.306 7.276 1.00 10.22 C ATOM 889 CG2 VAL A 55 5.410 -8.088 4.881 1.00 14.00 C ATOM 0 H VAL A 55 8.270 -8.883 4.300 1.00 2.43 H new ATOM 0 HA VAL A 55 7.211 -10.759 6.289 1.00 63.02 H new ATOM 0 HB VAL A 55 4.999 -9.672 6.269 1.00 10.20 H new ATOM 0 HG11 VAL A 55 5.492 -7.635 7.588 1.00 10.22 H new ATOM 0 HG12 VAL A 55 6.497 -9.022 8.072 1.00 10.22 H new ATOM 0 HG13 VAL A 55 7.191 -7.726 7.070 1.00 10.22 H new ATOM 0 HG21 VAL A 55 4.640 -7.421 5.269 1.00 14.00 H new ATOM 0 HG22 VAL A 55 6.264 -7.500 4.544 1.00 14.00 H new ATOM 0 HG23 VAL A 55 5.008 -8.657 4.043 1.00 14.00 H new ATOM 899 N VAL A 56 5.440 -11.677 4.532 1.00 52.04 N ATOM 900 CA VAL A 56 4.675 -12.404 3.514 1.00 61.52 C ATOM 901 C VAL A 56 3.166 -12.172 3.759 1.00 51.02 C ATOM 902 O VAL A 56 2.692 -12.232 4.903 1.00 5.31 O ATOM 903 CB VAL A 56 5.049 -13.944 3.486 1.00 4.14 C ATOM 904 CG1 VAL A 56 4.900 -14.606 4.878 1.00 34.22 C ATOM 905 CG2 VAL A 56 4.236 -14.714 2.408 1.00 42.24 C ATOM 0 H VAL A 56 5.142 -11.891 5.484 1.00 52.04 H new ATOM 0 HA VAL A 56 4.933 -12.019 2.527 1.00 61.52 H new ATOM 0 HB VAL A 56 6.102 -14.004 3.211 1.00 4.14 H new ATOM 0 HG11 VAL A 56 5.167 -15.661 4.810 1.00 34.22 H new ATOM 0 HG12 VAL A 56 5.560 -14.110 5.589 1.00 34.22 H new ATOM 0 HG13 VAL A 56 3.868 -14.514 5.216 1.00 34.22 H new ATOM 0 HG21 VAL A 56 4.521 -15.766 2.420 1.00 42.24 H new ATOM 0 HG22 VAL A 56 3.171 -14.624 2.622 1.00 42.24 H new ATOM 0 HG23 VAL A 56 4.445 -14.293 1.425 1.00 42.24 H new ATOM 915 N THR A 57 2.426 -11.868 2.680 1.00 72.43 N ATOM 916 CA THR A 57 1.000 -11.483 2.748 1.00 51.03 C ATOM 917 C THR A 57 0.118 -12.482 1.978 1.00 33.41 C ATOM 918 O THR A 57 0.451 -12.894 0.862 1.00 21.13 O ATOM 919 CB THR A 57 0.775 -10.050 2.160 1.00 20.43 C ATOM 920 OG1 THR A 57 1.326 -9.976 0.833 1.00 24.22 O ATOM 921 CG2 THR A 57 1.404 -8.963 3.039 1.00 72.43 C ATOM 0 H THR A 57 2.798 -11.881 1.731 1.00 72.43 H new ATOM 0 HA THR A 57 0.717 -11.490 3.801 1.00 51.03 H new ATOM 0 HB THR A 57 -0.300 -9.872 2.129 1.00 20.43 H new ATOM 0 HG1 THR A 57 1.181 -9.078 0.468 1.00 24.22 H new ATOM 0 HG21 THR A 57 1.224 -7.985 2.593 1.00 72.43 H new ATOM 0 HG22 THR A 57 0.959 -8.996 4.033 1.00 72.43 H new ATOM 0 HG23 THR A 57 2.478 -9.134 3.116 1.00 72.43 H new ATOM 929 N SER A 58 -1.021 -12.831 2.580 1.00 75.33 N ATOM 930 CA SER A 58 -2.014 -13.750 1.986 1.00 22.02 C ATOM 931 C SER A 58 -3.392 -13.540 2.647 1.00 34.41 C ATOM 932 O SER A 58 -3.492 -12.904 3.699 1.00 32.51 O ATOM 933 CB SER A 58 -1.566 -15.226 2.126 1.00 0.44 C ATOM 934 OG SER A 58 -2.444 -16.099 1.430 1.00 12.44 O ATOM 0 H SER A 58 -1.289 -12.485 3.501 1.00 75.33 H new ATOM 0 HA SER A 58 -2.093 -13.525 0.922 1.00 22.02 H new ATOM 0 HB2 SER A 58 -0.554 -15.340 1.738 1.00 0.44 H new ATOM 0 HB3 SER A 58 -1.536 -15.501 3.180 1.00 0.44 H new ATOM 0 HG SER A 58 -1.921 -16.711 0.871 1.00 12.44 H new ATOM 940 N GLU A 59 -4.448 -14.062 2.012 1.00 62.34 N ATOM 941 CA GLU A 59 -5.828 -13.916 2.515 1.00 23.43 C ATOM 942 C GLU A 59 -6.250 -15.147 3.349 1.00 44.11 C ATOM 943 O GLU A 59 -6.082 -16.296 2.929 1.00 4.51 O ATOM 944 CB GLU A 59 -6.815 -13.704 1.334 1.00 2.45 C ATOM 945 CG GLU A 59 -8.277 -13.437 1.758 1.00 72.45 C ATOM 946 CD GLU A 59 -9.235 -13.322 0.561 1.00 72.34 C ATOM 947 OE1 GLU A 59 -9.326 -12.233 -0.040 1.00 52.50 O ATOM 948 OE2 GLU A 59 -9.883 -14.327 0.197 1.00 30.44 O ATOM 0 H GLU A 59 -4.377 -14.593 1.144 1.00 62.34 H new ATOM 0 HA GLU A 59 -5.859 -13.040 3.163 1.00 23.43 H new ATOM 0 HB2 GLU A 59 -6.466 -12.865 0.732 1.00 2.45 H new ATOM 0 HB3 GLU A 59 -6.791 -14.587 0.695 1.00 2.45 H new ATOM 0 HG2 GLU A 59 -8.614 -14.243 2.410 1.00 72.45 H new ATOM 0 HG3 GLU A 59 -8.319 -12.517 2.340 1.00 72.45 H new ATOM 955 N VAL A 60 -6.781 -14.866 4.551 1.00 5.23 N ATOM 956 CA VAL A 60 -7.374 -15.868 5.456 1.00 24.22 C ATOM 957 C VAL A 60 -8.764 -15.362 5.901 1.00 62.43 C ATOM 958 O VAL A 60 -8.868 -14.383 6.647 1.00 62.42 O ATOM 959 CB VAL A 60 -6.455 -16.166 6.713 1.00 72.32 C ATOM 960 CG1 VAL A 60 -7.186 -17.053 7.761 1.00 40.55 C ATOM 961 CG2 VAL A 60 -5.124 -16.832 6.279 1.00 52.24 C ATOM 0 H VAL A 60 -6.811 -13.919 4.929 1.00 5.23 H new ATOM 0 HA VAL A 60 -7.468 -16.811 4.918 1.00 24.22 H new ATOM 0 HB VAL A 60 -6.230 -15.209 7.183 1.00 72.32 H new ATOM 0 HG11 VAL A 60 -6.524 -17.236 8.608 1.00 40.55 H new ATOM 0 HG12 VAL A 60 -8.085 -16.542 8.106 1.00 40.55 H new ATOM 0 HG13 VAL A 60 -7.462 -18.004 7.304 1.00 40.55 H new ATOM 0 HG21 VAL A 60 -4.511 -17.027 7.159 1.00 52.24 H new ATOM 0 HG22 VAL A 60 -5.337 -17.772 5.770 1.00 52.24 H new ATOM 0 HG23 VAL A 60 -4.588 -16.166 5.603 1.00 52.24 H new ATOM 971 N GLU A 61 -9.818 -16.049 5.409 1.00 0.01 N ATOM 972 CA GLU A 61 -11.243 -15.771 5.735 1.00 33.25 C ATOM 973 C GLU A 61 -11.677 -14.296 5.437 1.00 1.35 C ATOM 974 O GLU A 61 -12.571 -13.751 6.096 1.00 44.33 O ATOM 975 CB GLU A 61 -11.512 -16.175 7.219 1.00 72.03 C ATOM 976 CG GLU A 61 -10.986 -17.584 7.582 1.00 74.22 C ATOM 977 CD GLU A 61 -11.431 -18.071 8.968 1.00 31.12 C ATOM 978 OE1 GLU A 61 -12.607 -18.466 9.115 1.00 41.53 O ATOM 979 OE2 GLU A 61 -10.606 -18.079 9.914 1.00 4.31 O ATOM 0 H GLU A 61 -9.705 -16.829 4.761 1.00 0.01 H new ATOM 0 HA GLU A 61 -11.863 -16.377 5.074 1.00 33.25 H new ATOM 0 HB2 GLU A 61 -11.046 -15.442 7.877 1.00 72.03 H new ATOM 0 HB3 GLU A 61 -12.585 -16.137 7.409 1.00 72.03 H new ATOM 0 HG2 GLU A 61 -11.328 -18.295 6.830 1.00 74.22 H new ATOM 0 HG3 GLU A 61 -9.897 -17.577 7.542 1.00 74.22 H new ATOM 986 N GLY A 62 -11.063 -13.685 4.396 1.00 22.24 N ATOM 987 CA GLY A 62 -11.340 -12.282 4.011 1.00 42.21 C ATOM 988 C GLY A 62 -10.421 -11.242 4.675 1.00 31.33 C ATOM 989 O GLY A 62 -10.478 -10.051 4.347 1.00 15.52 O ATOM 0 H GLY A 62 -10.370 -14.145 3.806 1.00 22.24 H new ATOM 0 HA2 GLY A 62 -11.247 -12.191 2.929 1.00 42.21 H new ATOM 0 HA3 GLY A 62 -12.374 -12.047 4.263 1.00 42.21 H new ATOM 993 N GLU A 63 -9.592 -11.689 5.623 1.00 34.15 N ATOM 994 CA GLU A 63 -8.589 -10.839 6.314 1.00 2.35 C ATOM 995 C GLU A 63 -7.218 -10.866 5.604 1.00 72.01 C ATOM 996 O GLU A 63 -6.784 -11.912 5.113 1.00 72.13 O ATOM 997 CB GLU A 63 -8.432 -11.324 7.782 1.00 24.14 C ATOM 998 CG GLU A 63 -9.500 -10.803 8.760 1.00 32.43 C ATOM 999 CD GLU A 63 -9.332 -9.304 9.071 1.00 54.44 C ATOM 1000 OE1 GLU A 63 -8.477 -8.956 9.914 1.00 72.51 O ATOM 1001 OE2 GLU A 63 -10.034 -8.468 8.468 1.00 13.34 O ATOM 0 H GLU A 63 -9.590 -12.658 5.943 1.00 34.15 H new ATOM 0 HA GLU A 63 -8.947 -9.810 6.292 1.00 2.35 H new ATOM 0 HB2 GLU A 63 -8.453 -12.414 7.792 1.00 24.14 H new ATOM 0 HB3 GLU A 63 -7.450 -11.021 8.145 1.00 24.14 H new ATOM 0 HG2 GLU A 63 -10.490 -10.975 8.337 1.00 32.43 H new ATOM 0 HG3 GLU A 63 -9.447 -11.372 9.688 1.00 32.43 H new ATOM 1008 N ILE A 64 -6.541 -9.700 5.562 1.00 31.32 N ATOM 1009 CA ILE A 64 -5.129 -9.621 5.135 1.00 63.11 C ATOM 1010 C ILE A 64 -4.213 -10.146 6.273 1.00 71.21 C ATOM 1011 O ILE A 64 -3.908 -9.427 7.232 1.00 21.32 O ATOM 1012 CB ILE A 64 -4.711 -8.151 4.714 1.00 4.31 C ATOM 1013 CG1 ILE A 64 -5.647 -7.621 3.579 1.00 44.10 C ATOM 1014 CG2 ILE A 64 -3.220 -8.091 4.273 1.00 44.34 C ATOM 1015 CD1 ILE A 64 -5.303 -6.233 3.046 1.00 31.12 C ATOM 0 H ILE A 64 -6.949 -8.801 5.818 1.00 31.32 H new ATOM 0 HA ILE A 64 -5.010 -10.247 4.251 1.00 63.11 H new ATOM 0 HB ILE A 64 -4.823 -7.506 5.586 1.00 4.31 H new ATOM 0 HG12 ILE A 64 -5.621 -8.328 2.749 1.00 44.10 H new ATOM 0 HG13 ILE A 64 -6.671 -7.605 3.952 1.00 44.10 H new ATOM 0 HG21 ILE A 64 -2.965 -7.070 3.991 1.00 44.34 H new ATOM 0 HG22 ILE A 64 -2.583 -8.409 5.099 1.00 44.34 H new ATOM 0 HG23 ILE A 64 -3.066 -8.752 3.420 1.00 44.34 H new ATOM 0 HD11 ILE A 64 -6.010 -5.958 2.264 1.00 31.12 H new ATOM 0 HD12 ILE A 64 -5.359 -5.507 3.857 1.00 31.12 H new ATOM 0 HD13 ILE A 64 -4.293 -6.241 2.636 1.00 31.12 H new ATOM 1027 N PHE A 65 -3.835 -11.433 6.171 1.00 42.54 N ATOM 1028 CA PHE A 65 -2.931 -12.103 7.130 1.00 14.24 C ATOM 1029 C PHE A 65 -1.457 -11.868 6.726 1.00 14.41 C ATOM 1030 O PHE A 65 -1.030 -12.251 5.628 1.00 21.01 O ATOM 1031 CB PHE A 65 -3.249 -13.623 7.199 1.00 53.32 C ATOM 1032 CG PHE A 65 -2.328 -14.423 8.133 1.00 10.45 C ATOM 1033 CD1 PHE A 65 -2.383 -14.246 9.518 1.00 65.34 C ATOM 1034 CD2 PHE A 65 -1.399 -15.341 7.628 1.00 53.12 C ATOM 1035 CE1 PHE A 65 -1.547 -14.956 10.362 1.00 13.53 C ATOM 1036 CE2 PHE A 65 -0.562 -16.047 8.476 1.00 0.15 C ATOM 1037 CZ PHE A 65 -0.637 -15.855 9.842 1.00 44.12 C ATOM 0 H PHE A 65 -4.149 -12.043 5.417 1.00 42.54 H new ATOM 0 HA PHE A 65 -3.088 -11.676 8.121 1.00 14.24 H new ATOM 0 HB2 PHE A 65 -4.280 -13.751 7.528 1.00 53.32 H new ATOM 0 HB3 PHE A 65 -3.181 -14.042 6.195 1.00 53.32 H new ATOM 0 HD1 PHE A 65 -3.089 -13.544 9.936 1.00 65.34 H new ATOM 0 HD2 PHE A 65 -1.334 -15.501 6.562 1.00 53.12 H new ATOM 0 HE1 PHE A 65 -1.606 -14.807 11.430 1.00 13.53 H new ATOM 0 HE2 PHE A 65 0.151 -16.749 8.069 1.00 0.15 H new ATOM 0 HZ PHE A 65 0.015 -16.407 10.502 1.00 44.12 H new ATOM 1047 N VAL A 66 -0.692 -11.226 7.625 1.00 0.13 N ATOM 1048 CA VAL A 66 0.718 -10.851 7.382 1.00 71.13 C ATOM 1049 C VAL A 66 1.632 -11.412 8.497 1.00 35.02 C ATOM 1050 O VAL A 66 1.226 -11.470 9.666 1.00 74.44 O ATOM 1051 CB VAL A 66 0.881 -9.287 7.324 1.00 45.12 C ATOM 1052 CG1 VAL A 66 2.305 -8.890 6.885 1.00 54.21 C ATOM 1053 CG2 VAL A 66 -0.190 -8.633 6.416 1.00 61.34 C ATOM 0 H VAL A 66 -1.033 -10.950 8.546 1.00 0.13 H new ATOM 0 HA VAL A 66 1.011 -11.278 6.423 1.00 71.13 H new ATOM 0 HB VAL A 66 0.726 -8.907 8.334 1.00 45.12 H new ATOM 0 HG11 VAL A 66 2.387 -7.803 6.854 1.00 54.21 H new ATOM 0 HG12 VAL A 66 3.029 -9.288 7.596 1.00 54.21 H new ATOM 0 HG13 VAL A 66 2.507 -9.297 5.894 1.00 54.21 H new ATOM 0 HG21 VAL A 66 -0.044 -7.553 6.402 1.00 61.34 H new ATOM 0 HG22 VAL A 66 -0.097 -9.025 5.403 1.00 61.34 H new ATOM 0 HG23 VAL A 66 -1.183 -8.860 6.803 1.00 61.34 H new ATOM 1063 N LYS A 67 2.870 -11.812 8.137 1.00 30.51 N ATOM 1064 CA LYS A 67 3.870 -12.310 9.119 1.00 12.33 C ATOM 1065 C LYS A 67 5.298 -12.183 8.570 1.00 55.41 C ATOM 1066 O LYS A 67 5.491 -12.192 7.361 1.00 21.12 O ATOM 1067 CB LYS A 67 3.571 -13.785 9.478 1.00 35.43 C ATOM 1068 CG LYS A 67 3.509 -14.750 8.270 1.00 21.34 C ATOM 1069 CD LYS A 67 3.183 -16.197 8.692 1.00 63.24 C ATOM 1070 CE LYS A 67 4.282 -16.837 9.559 1.00 63.32 C ATOM 1071 NZ LYS A 67 3.801 -18.069 10.224 1.00 51.03 N ATOM 0 H LYS A 67 3.206 -11.802 7.174 1.00 30.51 H new ATOM 0 HA LYS A 67 3.796 -11.697 10.018 1.00 12.33 H new ATOM 0 HB2 LYS A 67 4.338 -14.138 10.168 1.00 35.43 H new ATOM 0 HB3 LYS A 67 2.620 -13.829 10.009 1.00 35.43 H new ATOM 0 HG2 LYS A 67 2.753 -14.400 7.567 1.00 21.34 H new ATOM 0 HG3 LYS A 67 4.464 -14.734 7.745 1.00 21.34 H new ATOM 0 HD2 LYS A 67 2.243 -16.205 9.244 1.00 63.24 H new ATOM 0 HD3 LYS A 67 3.034 -16.804 7.799 1.00 63.24 H new ATOM 0 HE2 LYS A 67 5.146 -17.072 8.938 1.00 63.32 H new ATOM 0 HE3 LYS A 67 4.615 -16.122 10.312 1.00 63.32 H new ATOM 0 HZ1 LYS A 67 4.582 -18.751 10.298 1.00 51.03 H new ATOM 0 HZ2 LYS A 67 3.453 -17.836 11.176 1.00 51.03 H new ATOM 0 HZ3 LYS A 67 3.029 -18.486 9.666 1.00 51.03 H new ATOM 1085 N LEU A 68 6.299 -12.096 9.470 1.00 12.53 N ATOM 1086 CA LEU A 68 7.726 -12.016 9.075 1.00 63.32 C ATOM 1087 C LEU A 68 8.184 -13.306 8.331 1.00 15.23 C ATOM 1088 O LEU A 68 7.772 -14.420 8.699 1.00 11.44 O ATOM 1089 CB LEU A 68 8.626 -11.761 10.317 1.00 71.45 C ATOM 1090 CG LEU A 68 8.328 -10.461 11.145 1.00 23.24 C ATOM 1091 CD1 LEU A 68 9.349 -10.270 12.289 1.00 42.34 C ATOM 1092 CD2 LEU A 68 8.273 -9.207 10.248 1.00 74.55 C ATOM 0 H LEU A 68 6.148 -12.079 10.479 1.00 12.53 H new ATOM 0 HA LEU A 68 7.831 -11.176 8.388 1.00 63.32 H new ATOM 0 HB2 LEU A 68 8.537 -12.618 10.984 1.00 71.45 H new ATOM 0 HB3 LEU A 68 9.663 -11.723 9.984 1.00 71.45 H new ATOM 0 HG LEU A 68 7.342 -10.592 11.591 1.00 23.24 H new ATOM 0 HD11 LEU A 68 9.112 -9.360 12.841 1.00 42.34 H new ATOM 0 HD12 LEU A 68 9.304 -11.125 12.963 1.00 42.34 H new ATOM 0 HD13 LEU A 68 10.353 -10.189 11.871 1.00 42.34 H new ATOM 0 HD21 LEU A 68 8.065 -8.330 10.861 1.00 74.55 H new ATOM 0 HD22 LEU A 68 9.231 -9.078 9.744 1.00 74.55 H new ATOM 0 HD23 LEU A 68 7.485 -9.326 9.505 1.00 74.55 H new ATOM 1104 N VAL A 69 9.021 -13.141 7.280 1.00 32.00 N ATOM 1105 CA VAL A 69 9.526 -14.275 6.462 1.00 4.22 C ATOM 1106 C VAL A 69 10.507 -15.161 7.275 1.00 51.32 C ATOM 1107 O VAL A 69 11.681 -14.814 7.467 1.00 34.40 O ATOM 1108 CB VAL A 69 10.216 -13.780 5.127 1.00 42.31 C ATOM 1109 CG1 VAL A 69 10.816 -14.963 4.311 1.00 1.22 C ATOM 1110 CG2 VAL A 69 9.224 -12.971 4.261 1.00 13.01 C ATOM 0 H VAL A 69 9.364 -12.230 6.976 1.00 32.00 H new ATOM 0 HA VAL A 69 8.659 -14.876 6.188 1.00 4.22 H new ATOM 0 HB VAL A 69 11.040 -13.127 5.413 1.00 42.31 H new ATOM 0 HG11 VAL A 69 11.280 -14.580 3.402 1.00 1.22 H new ATOM 0 HG12 VAL A 69 11.566 -15.477 4.913 1.00 1.22 H new ATOM 0 HG13 VAL A 69 10.022 -15.662 4.046 1.00 1.22 H new ATOM 0 HG21 VAL A 69 9.722 -12.642 3.349 1.00 13.01 H new ATOM 0 HG22 VAL A 69 8.371 -13.598 4.003 1.00 13.01 H new ATOM 0 HG23 VAL A 69 8.878 -12.101 4.820 1.00 13.01 H new ATOM 1120 N LEU A 70 9.982 -16.278 7.798 1.00 10.14 N ATOM 1121 CA LEU A 70 10.777 -17.304 8.510 1.00 20.35 C ATOM 1122 C LEU A 70 11.011 -18.527 7.594 1.00 72.21 C ATOM 1123 O LEU A 70 12.047 -19.193 7.678 1.00 2.25 O ATOM 1124 CB LEU A 70 10.033 -17.734 9.807 1.00 73.43 C ATOM 1125 CG LEU A 70 9.588 -16.571 10.756 1.00 50.15 C ATOM 1126 CD1 LEU A 70 8.769 -17.102 11.954 1.00 50.53 C ATOM 1127 CD2 LEU A 70 10.802 -15.738 11.227 1.00 52.14 C ATOM 0 H LEU A 70 8.988 -16.502 7.742 1.00 10.14 H new ATOM 0 HA LEU A 70 11.746 -16.884 8.779 1.00 20.35 H new ATOM 0 HB2 LEU A 70 9.149 -18.305 9.524 1.00 73.43 H new ATOM 0 HB3 LEU A 70 10.681 -18.408 10.368 1.00 73.43 H new ATOM 0 HG LEU A 70 8.937 -15.910 10.184 1.00 50.15 H new ATOM 0 HD11 LEU A 70 8.476 -16.269 12.593 1.00 50.53 H new ATOM 0 HD12 LEU A 70 7.877 -17.610 11.588 1.00 50.53 H new ATOM 0 HD13 LEU A 70 9.376 -17.803 12.528 1.00 50.53 H new ATOM 0 HD21 LEU A 70 10.461 -14.938 11.884 1.00 52.14 H new ATOM 0 HD22 LEU A 70 11.497 -16.381 11.768 1.00 52.14 H new ATOM 0 HD23 LEU A 70 11.305 -15.307 10.362 1.00 52.14 H new ATOM 1139 N GLU A 71 10.029 -18.791 6.701 1.00 3.32 N ATOM 1140 CA GLU A 71 10.015 -19.985 5.822 1.00 63.30 C ATOM 1141 C GLU A 71 9.113 -19.726 4.577 1.00 33.40 C ATOM 1142 O GLU A 71 8.245 -18.843 4.610 1.00 72.45 O ATOM 1143 CB GLU A 71 9.530 -21.243 6.639 1.00 5.41 C ATOM 1144 CG GLU A 71 10.467 -22.471 6.573 1.00 34.43 C ATOM 1145 CD GLU A 71 10.593 -23.079 5.166 1.00 71.41 C ATOM 1146 OE1 GLU A 71 9.725 -23.879 4.777 1.00 53.14 O ATOM 1147 OE2 GLU A 71 11.545 -22.731 4.421 1.00 34.31 O ATOM 0 H GLU A 71 9.222 -18.181 6.569 1.00 3.32 H new ATOM 0 HA GLU A 71 11.024 -20.185 5.462 1.00 63.30 H new ATOM 0 HB2 GLU A 71 9.409 -20.954 7.683 1.00 5.41 H new ATOM 0 HB3 GLU A 71 8.546 -21.537 6.273 1.00 5.41 H new ATOM 0 HG2 GLU A 71 11.457 -22.180 6.923 1.00 34.43 H new ATOM 0 HG3 GLU A 71 10.098 -23.235 7.257 1.00 34.43 H new ATOM 1154 N HIS A 72 9.321 -20.510 3.487 1.00 65.10 N ATOM 1155 CA HIS A 72 8.578 -20.336 2.207 1.00 41.13 C ATOM 1156 C HIS A 72 7.102 -20.810 2.328 1.00 63.41 C ATOM 1157 O HIS A 72 6.808 -21.765 3.057 1.00 25.30 O ATOM 1158 CB HIS A 72 9.314 -21.061 1.034 1.00 71.40 C ATOM 1159 CG HIS A 72 9.190 -22.569 0.997 1.00 12.43 C ATOM 1160 ND1 HIS A 72 9.834 -23.407 1.877 1.00 50.44 N ATOM 1161 CD2 HIS A 72 8.477 -23.382 0.176 1.00 63.10 C ATOM 1162 CE1 HIS A 72 9.526 -24.657 1.605 1.00 60.32 C ATOM 1163 NE2 HIS A 72 8.707 -24.670 0.583 1.00 33.43 N ATOM 0 H HIS A 72 9.999 -21.272 3.468 1.00 65.10 H new ATOM 0 HA HIS A 72 8.554 -19.270 1.983 1.00 41.13 H new ATOM 0 HB2 HIS A 72 8.934 -20.663 0.093 1.00 71.40 H new ATOM 0 HB3 HIS A 72 10.372 -20.806 1.084 1.00 71.40 H new ATOM 0 HD1 HIS A 72 10.456 -23.105 2.627 1.00 50.44 H new ATOM 0 HD2 HIS A 72 7.847 -23.072 -0.644 1.00 63.10 H new ATOM 0 HE1 HIS A 72 9.888 -25.526 2.135 1.00 60.32 H new ATOM 1172 N HIS A 73 6.177 -20.132 1.608 1.00 24.52 N ATOM 1173 CA HIS A 73 4.716 -20.407 1.688 1.00 52.43 C ATOM 1174 C HIS A 73 4.041 -20.385 0.295 1.00 74.20 C ATOM 1175 O HIS A 73 4.133 -19.398 -0.440 1.00 14.32 O ATOM 1176 CB HIS A 73 4.018 -19.388 2.637 1.00 55.54 C ATOM 1177 CG HIS A 73 4.400 -19.551 4.088 1.00 55.13 C ATOM 1178 ND1 HIS A 73 4.267 -20.751 4.757 1.00 25.34 N ATOM 1179 CD2 HIS A 73 4.944 -18.690 4.984 1.00 52.41 C ATOM 1180 CE1 HIS A 73 4.709 -20.624 5.985 1.00 74.04 C ATOM 1181 NE2 HIS A 73 5.128 -19.388 6.153 1.00 52.43 N ATOM 0 H HIS A 73 6.417 -19.383 0.958 1.00 24.52 H new ATOM 0 HA HIS A 73 4.601 -21.412 2.094 1.00 52.43 H new ATOM 0 HB2 HIS A 73 4.267 -18.377 2.316 1.00 55.54 H new ATOM 0 HB3 HIS A 73 2.938 -19.496 2.540 1.00 55.54 H new ATOM 0 HD2 HIS A 73 5.187 -17.652 4.811 1.00 52.41 H new ATOM 0 HE1 HIS A 73 4.726 -21.403 6.733 1.00 74.04 H new ATOM 0 HE2 HIS A 73 5.525 -19.009 7.013 1.00 52.43 H new ATOM 1190 N HIS A 74 3.347 -21.490 -0.047 1.00 64.44 N ATOM 1191 CA HIS A 74 2.579 -21.622 -1.312 1.00 41.43 C ATOM 1192 C HIS A 74 1.051 -21.453 -1.076 1.00 12.21 C ATOM 1193 O HIS A 74 0.240 -21.932 -1.879 1.00 53.20 O ATOM 1194 CB HIS A 74 2.872 -22.994 -1.973 1.00 54.43 C ATOM 1195 CG HIS A 74 4.280 -23.156 -2.472 1.00 4.04 C ATOM 1196 ND1 HIS A 74 4.637 -22.938 -3.787 1.00 23.23 N ATOM 1197 CD2 HIS A 74 5.410 -23.539 -1.840 1.00 34.20 C ATOM 1198 CE1 HIS A 74 5.919 -23.181 -3.939 1.00 45.51 C ATOM 1199 NE2 HIS A 74 6.411 -23.545 -2.776 1.00 71.34 N ATOM 0 H HIS A 74 3.300 -22.320 0.544 1.00 64.44 H new ATOM 0 HA HIS A 74 2.900 -20.824 -1.982 1.00 41.43 H new ATOM 0 HB2 HIS A 74 2.663 -23.783 -1.251 1.00 54.43 H new ATOM 0 HB3 HIS A 74 2.185 -23.135 -2.808 1.00 54.43 H new ATOM 0 HD2 HIS A 74 5.507 -23.793 -0.795 1.00 34.20 H new ATOM 0 HE1 HIS A 74 6.474 -23.096 -4.862 1.00 45.51 H new ATOM 0 HE2 HIS A 74 7.384 -23.793 -2.598 1.00 71.34 H new ATOM 1208 N HIS A 75 0.677 -20.740 0.012 1.00 74.33 N ATOM 1209 CA HIS A 75 -0.740 -20.440 0.345 1.00 12.13 C ATOM 1210 C HIS A 75 -1.320 -19.432 -0.689 1.00 73.44 C ATOM 1211 O HIS A 75 -1.347 -18.215 -0.454 1.00 10.35 O ATOM 1212 CB HIS A 75 -0.822 -19.901 1.807 1.00 50.31 C ATOM 1213 CG HIS A 75 -2.207 -19.835 2.417 1.00 41.04 C ATOM 1214 ND1 HIS A 75 -2.665 -20.755 3.339 1.00 63.31 N ATOM 1215 CD2 HIS A 75 -3.198 -18.920 2.296 1.00 23.10 C ATOM 1216 CE1 HIS A 75 -3.865 -20.409 3.751 1.00 55.15 C ATOM 1217 NE2 HIS A 75 -4.211 -19.300 3.138 1.00 12.52 N ATOM 0 H HIS A 75 1.344 -20.357 0.682 1.00 74.33 H new ATOM 0 HA HIS A 75 -1.344 -21.345 0.290 1.00 12.13 H new ATOM 0 HB2 HIS A 75 -0.198 -20.531 2.440 1.00 50.31 H new ATOM 0 HB3 HIS A 75 -0.390 -18.901 1.828 1.00 50.31 H new ATOM 0 HD2 HIS A 75 -3.192 -18.051 1.655 1.00 23.10 H new ATOM 0 HE1 HIS A 75 -4.464 -20.946 4.471 1.00 55.15 H new ATOM 0 HE2 HIS A 75 -5.092 -18.802 3.268 1.00 12.52 H new ATOM 1226 N HIS A 76 -1.747 -19.963 -1.854 1.00 65.30 N ATOM 1227 CA HIS A 76 -2.194 -19.149 -3.000 1.00 61.13 C ATOM 1228 C HIS A 76 -3.673 -18.706 -2.835 1.00 64.32 C ATOM 1229 O HIS A 76 -4.607 -19.384 -3.269 1.00 33.10 O ATOM 1230 CB HIS A 76 -1.919 -19.894 -4.347 1.00 44.34 C ATOM 1231 CG HIS A 76 -2.481 -21.295 -4.470 1.00 45.44 C ATOM 1232 ND1 HIS A 76 -1.785 -22.427 -4.092 1.00 40.10 N ATOM 1233 CD2 HIS A 76 -3.659 -21.745 -4.974 1.00 24.11 C ATOM 1234 CE1 HIS A 76 -2.509 -23.497 -4.356 1.00 44.03 C ATOM 1235 NE2 HIS A 76 -3.647 -23.112 -4.890 1.00 41.34 N ATOM 0 H HIS A 76 -1.791 -20.968 -2.025 1.00 65.30 H new ATOM 0 HA HIS A 76 -1.608 -18.230 -3.027 1.00 61.13 H new ATOM 0 HB2 HIS A 76 -2.324 -19.291 -5.160 1.00 44.34 H new ATOM 0 HB3 HIS A 76 -0.840 -19.945 -4.495 1.00 44.34 H new ATOM 0 HD1 HIS A 76 -0.855 -22.434 -3.673 1.00 40.10 H new ATOM 0 HD2 HIS A 76 -4.459 -21.136 -5.369 1.00 24.11 H new ATOM 0 HE1 HIS A 76 -2.216 -24.519 -4.165 1.00 44.03 H new ATOM 1244 N HIS A 77 -3.862 -17.552 -2.168 1.00 42.45 N ATOM 1245 CA HIS A 77 -5.201 -17.026 -1.825 1.00 52.23 C ATOM 1246 C HIS A 77 -5.120 -15.518 -1.532 1.00 44.42 C ATOM 1247 O HIS A 77 -4.205 -15.053 -0.848 1.00 12.21 O ATOM 1248 CB HIS A 77 -5.777 -17.806 -0.606 1.00 43.24 C ATOM 1249 CG HIS A 77 -7.248 -17.606 -0.339 1.00 2.45 C ATOM 1250 ND1 HIS A 77 -7.774 -17.518 0.929 1.00 11.44 N ATOM 1251 CD2 HIS A 77 -8.310 -17.534 -1.182 1.00 61.34 C ATOM 1252 CE1 HIS A 77 -9.081 -17.404 0.861 1.00 73.42 C ATOM 1253 NE2 HIS A 77 -9.435 -17.410 -0.404 1.00 62.42 N ATOM 0 H HIS A 77 -3.095 -16.958 -1.852 1.00 42.45 H new ATOM 0 HA HIS A 77 -5.873 -17.167 -2.672 1.00 52.23 H new ATOM 0 HB2 HIS A 77 -5.596 -18.870 -0.760 1.00 43.24 H new ATOM 0 HB3 HIS A 77 -5.221 -17.513 0.285 1.00 43.24 H new ATOM 0 HD1 HIS A 77 -7.231 -17.538 1.792 1.00 11.44 H new ATOM 0 HD2 HIS A 77 -8.276 -17.568 -2.261 1.00 61.34 H new ATOM 0 HE1 HIS A 77 -9.752 -17.320 1.703 1.00 73.42 H new TER 1262 HIS A 77 ATOM 1263 N MET B 1 1.662 -19.712 -4.019 1.00 52.34 N ATOM 1264 CA MET B 1 2.185 -19.015 -5.196 1.00 45.43 C ATOM 1265 C MET B 1 1.602 -17.582 -5.288 1.00 14.30 C ATOM 1266 O MET B 1 2.328 -16.588 -5.139 1.00 31.11 O ATOM 1267 CB MET B 1 1.872 -19.840 -6.476 1.00 51.51 C ATOM 1268 CG MET B 1 2.321 -19.190 -7.794 1.00 11.42 C ATOM 1269 SD MET B 1 4.105 -18.904 -7.877 1.00 50.14 S ATOM 1270 CE MET B 1 4.766 -20.574 -7.922 1.00 43.12 C ATOM 0 H1 MET B 1 1.412 -20.688 -4.276 1.00 52.34 H new ATOM 0 H2 MET B 1 2.386 -19.725 -3.273 1.00 52.34 H new ATOM 0 H3 MET B 1 0.815 -19.218 -3.671 1.00 52.34 H new ATOM 0 HA MET B 1 3.267 -18.920 -5.105 1.00 45.43 H new ATOM 0 HB2 MET B 1 2.351 -20.815 -6.388 1.00 51.51 H new ATOM 0 HB3 MET B 1 0.797 -20.016 -6.523 1.00 51.51 H new ATOM 0 HG2 MET B 1 2.023 -19.828 -8.626 1.00 11.42 H new ATOM 0 HG3 MET B 1 1.801 -18.240 -7.919 1.00 11.42 H new ATOM 0 HE1 MET B 1 5.835 -20.537 -8.134 1.00 43.12 H new ATOM 0 HE2 MET B 1 4.604 -21.056 -6.958 1.00 43.12 H new ATOM 0 HE3 MET B 1 4.261 -21.144 -8.702 1.00 43.12 H new ATOM 1280 N LYS B 2 0.282 -17.488 -5.535 1.00 22.30 N ATOM 1281 CA LYS B 2 -0.427 -16.198 -5.671 1.00 43.22 C ATOM 1282 C LYS B 2 -0.655 -15.542 -4.284 1.00 44.22 C ATOM 1283 O LYS B 2 -1.550 -15.933 -3.526 1.00 5.32 O ATOM 1284 CB LYS B 2 -1.769 -16.407 -6.424 1.00 34.23 C ATOM 1285 CG LYS B 2 -2.625 -15.130 -6.581 1.00 43.44 C ATOM 1286 CD LYS B 2 -3.893 -15.367 -7.426 1.00 0.11 C ATOM 1287 CE LYS B 2 -4.775 -14.112 -7.551 1.00 41.12 C ATOM 1288 NZ LYS B 2 -5.973 -14.368 -8.389 1.00 22.35 N ATOM 0 H LYS B 2 -0.324 -18.301 -5.646 1.00 22.30 H new ATOM 0 HA LYS B 2 0.192 -15.517 -6.255 1.00 43.22 H new ATOM 0 HB2 LYS B 2 -1.556 -16.810 -7.414 1.00 34.23 H new ATOM 0 HB3 LYS B 2 -2.355 -17.158 -5.894 1.00 34.23 H new ATOM 0 HG2 LYS B 2 -2.913 -14.766 -5.595 1.00 43.44 H new ATOM 0 HG3 LYS B 2 -2.024 -14.349 -7.046 1.00 43.44 H new ATOM 0 HD2 LYS B 2 -3.602 -15.701 -8.422 1.00 0.11 H new ATOM 0 HD3 LYS B 2 -4.476 -16.171 -6.978 1.00 0.11 H new ATOM 0 HE2 LYS B 2 -5.087 -13.786 -6.559 1.00 41.12 H new ATOM 0 HE3 LYS B 2 -4.193 -13.299 -7.986 1.00 41.12 H new ATOM 0 HZ1 LYS B 2 -6.544 -13.501 -8.452 1.00 22.35 H new ATOM 0 HZ2 LYS B 2 -5.674 -14.656 -9.343 1.00 22.35 H new ATOM 0 HZ3 LYS B 2 -6.541 -15.127 -7.960 1.00 22.35 H new ATOM 1302 N MET B 3 0.207 -14.568 -3.955 1.00 61.43 N ATOM 1303 CA MET B 3 0.153 -13.815 -2.682 1.00 13.23 C ATOM 1304 C MET B 3 -0.504 -12.422 -2.866 1.00 50.42 C ATOM 1305 O MET B 3 -0.693 -11.947 -3.993 1.00 51.11 O ATOM 1306 CB MET B 3 1.593 -13.657 -2.124 1.00 64.41 C ATOM 1307 CG MET B 3 2.296 -14.983 -1.779 1.00 23.51 C ATOM 1308 SD MET B 3 3.953 -14.747 -1.091 1.00 23.34 S ATOM 1309 CE MET B 3 4.827 -13.962 -2.450 1.00 51.22 C ATOM 0 H MET B 3 0.969 -14.275 -4.566 1.00 61.43 H new ATOM 0 HA MET B 3 -0.462 -14.374 -1.977 1.00 13.23 H new ATOM 0 HB2 MET B 3 2.196 -13.121 -2.857 1.00 64.41 H new ATOM 0 HB3 MET B 3 1.555 -13.037 -1.228 1.00 64.41 H new ATOM 0 HG2 MET B 3 1.687 -15.535 -1.063 1.00 23.51 H new ATOM 0 HG3 MET B 3 2.366 -15.595 -2.678 1.00 23.51 H new ATOM 0 HE1 MET B 3 5.899 -13.989 -2.257 1.00 51.22 H new ATOM 0 HE2 MET B 3 4.611 -14.494 -3.377 1.00 51.22 H new ATOM 0 HE3 MET B 3 4.501 -12.926 -2.542 1.00 51.22 H new ATOM 1319 N LEU B 4 -0.837 -11.770 -1.737 1.00 0.23 N ATOM 1320 CA LEU B 4 -1.322 -10.363 -1.720 1.00 10.34 C ATOM 1321 C LEU B 4 -0.181 -9.357 -2.051 1.00 0.03 C ATOM 1322 O LEU B 4 -0.444 -8.191 -2.364 1.00 54.30 O ATOM 1323 CB LEU B 4 -2.022 -10.037 -0.360 1.00 0.11 C ATOM 1324 CG LEU B 4 -3.558 -10.354 -0.274 1.00 2.22 C ATOM 1325 CD1 LEU B 4 -3.901 -11.775 -0.771 1.00 14.41 C ATOM 1326 CD2 LEU B 4 -4.085 -10.131 1.163 1.00 20.53 C ATOM 0 H LEU B 4 -0.781 -12.194 -0.811 1.00 0.23 H new ATOM 0 HA LEU B 4 -2.068 -10.252 -2.507 1.00 10.34 H new ATOM 0 HB2 LEU B 4 -1.513 -10.592 0.428 1.00 0.11 H new ATOM 0 HB3 LEU B 4 -1.879 -8.978 -0.147 1.00 0.11 H new ATOM 0 HG LEU B 4 -4.061 -9.657 -0.944 1.00 2.22 H new ATOM 0 HD11 LEU B 4 -4.975 -11.940 -0.689 1.00 14.41 H new ATOM 0 HD12 LEU B 4 -3.596 -11.880 -1.812 1.00 14.41 H new ATOM 0 HD13 LEU B 4 -3.374 -12.510 -0.163 1.00 14.41 H new ATOM 0 HD21 LEU B 4 -5.151 -10.357 1.199 1.00 20.53 H new ATOM 0 HD22 LEU B 4 -3.552 -10.786 1.852 1.00 20.53 H new ATOM 0 HD23 LEU B 4 -3.924 -9.093 1.453 1.00 20.53 H new ATOM 1338 N LYS B 5 1.083 -9.823 -1.983 1.00 54.11 N ATOM 1339 CA LYS B 5 2.241 -9.079 -2.523 1.00 21.52 C ATOM 1340 C LYS B 5 2.252 -9.149 -4.067 1.00 44.04 C ATOM 1341 O LYS B 5 2.586 -8.175 -4.746 1.00 60.31 O ATOM 1342 CB LYS B 5 3.578 -9.651 -1.977 1.00 12.44 C ATOM 1343 CG LYS B 5 4.820 -8.858 -2.452 1.00 74.32 C ATOM 1344 CD LYS B 5 6.164 -9.512 -2.069 1.00 50.41 C ATOM 1345 CE LYS B 5 7.356 -8.664 -2.546 1.00 44.34 C ATOM 1346 NZ LYS B 5 8.661 -9.316 -2.302 1.00 62.04 N ATOM 0 H LYS B 5 1.329 -10.716 -1.557 1.00 54.11 H new ATOM 0 HA LYS B 5 2.145 -8.041 -2.204 1.00 21.52 H new ATOM 0 HB2 LYS B 5 3.549 -9.649 -0.887 1.00 12.44 H new ATOM 0 HB3 LYS B 5 3.676 -10.690 -2.291 1.00 12.44 H new ATOM 0 HG2 LYS B 5 4.776 -8.749 -3.536 1.00 74.32 H new ATOM 0 HG3 LYS B 5 4.782 -7.854 -2.028 1.00 74.32 H new ATOM 0 HD2 LYS B 5 6.214 -9.638 -0.987 1.00 50.41 H new ATOM 0 HD3 LYS B 5 6.224 -10.508 -2.509 1.00 50.41 H new ATOM 0 HE2 LYS B 5 7.249 -8.464 -3.612 1.00 44.34 H new ATOM 0 HE3 LYS B 5 7.336 -7.700 -2.037 1.00 44.34 H new ATOM 0 HZ1 LYS B 5 9.426 -8.700 -2.643 1.00 62.04 H new ATOM 0 HZ2 LYS B 5 8.780 -9.484 -1.283 1.00 62.04 H new ATOM 0 HZ3 LYS B 5 8.696 -10.224 -2.809 1.00 62.04 H new ATOM 1360 N GLU B 6 1.875 -10.324 -4.601 1.00 20.10 N ATOM 1361 CA GLU B 6 1.919 -10.600 -6.047 1.00 1.51 C ATOM 1362 C GLU B 6 0.894 -9.736 -6.827 1.00 75.03 C ATOM 1363 O GLU B 6 1.197 -9.232 -7.915 1.00 73.01 O ATOM 1364 CB GLU B 6 1.690 -12.113 -6.311 1.00 24.34 C ATOM 1365 CG GLU B 6 1.990 -12.574 -7.755 1.00 61.40 C ATOM 1366 CD GLU B 6 3.472 -12.404 -8.156 1.00 35.11 C ATOM 1367 OE1 GLU B 6 3.852 -11.323 -8.672 1.00 24.53 O ATOM 1368 OE2 GLU B 6 4.269 -13.341 -7.939 1.00 62.32 O ATOM 0 H GLU B 6 1.532 -11.107 -4.044 1.00 20.10 H new ATOM 0 HA GLU B 6 2.909 -10.328 -6.412 1.00 1.51 H new ATOM 0 HB2 GLU B 6 2.315 -12.685 -5.625 1.00 24.34 H new ATOM 0 HB3 GLU B 6 0.654 -12.355 -6.076 1.00 24.34 H new ATOM 0 HG2 GLU B 6 1.711 -13.622 -7.860 1.00 61.40 H new ATOM 0 HG3 GLU B 6 1.367 -12.007 -8.447 1.00 61.40 H new ATOM 1375 N LYS B 7 -0.322 -9.560 -6.252 1.00 51.14 N ATOM 1376 CA LYS B 7 -1.360 -8.675 -6.840 1.00 74.32 C ATOM 1377 C LYS B 7 -0.997 -7.177 -6.682 1.00 73.11 C ATOM 1378 O LYS B 7 -1.419 -6.352 -7.488 1.00 50.42 O ATOM 1379 CB LYS B 7 -2.787 -9.020 -6.288 1.00 44.24 C ATOM 1380 CG LYS B 7 -3.017 -8.952 -4.748 1.00 52.13 C ATOM 1381 CD LYS B 7 -3.193 -7.521 -4.167 1.00 45.04 C ATOM 1382 CE LYS B 7 -4.405 -6.759 -4.743 1.00 21.52 C ATOM 1383 NZ LYS B 7 -5.700 -7.415 -4.419 1.00 0.32 N ATOM 0 H LYS B 7 -0.607 -10.017 -5.386 1.00 51.14 H new ATOM 0 HA LYS B 7 -1.389 -8.866 -7.913 1.00 74.32 H new ATOM 0 HB2 LYS B 7 -3.499 -8.344 -6.761 1.00 44.24 H new ATOM 0 HB3 LYS B 7 -3.037 -10.028 -6.618 1.00 44.24 H new ATOM 0 HG2 LYS B 7 -3.903 -9.538 -4.503 1.00 52.13 H new ATOM 0 HG3 LYS B 7 -2.173 -9.428 -4.249 1.00 52.13 H new ATOM 0 HD2 LYS B 7 -3.300 -7.589 -3.084 1.00 45.04 H new ATOM 0 HD3 LYS B 7 -2.288 -6.946 -4.362 1.00 45.04 H new ATOM 0 HE2 LYS B 7 -4.409 -5.742 -4.351 1.00 21.52 H new ATOM 0 HE3 LYS B 7 -4.301 -6.684 -5.825 1.00 21.52 H new ATOM 0 HZ1 LYS B 7 -6.466 -6.714 -4.468 1.00 0.32 H new ATOM 0 HZ2 LYS B 7 -5.884 -8.177 -5.103 1.00 0.32 H new ATOM 0 HZ3 LYS B 7 -5.657 -7.814 -3.459 1.00 0.32 H new ATOM 1397 N ALA B 8 -0.210 -6.845 -5.635 1.00 21.44 N ATOM 1398 CA ALA B 8 0.328 -5.475 -5.427 1.00 51.32 C ATOM 1399 C ALA B 8 1.291 -5.084 -6.573 1.00 62.41 C ATOM 1400 O ALA B 8 1.209 -3.978 -7.130 1.00 13.41 O ATOM 1401 CB ALA B 8 1.040 -5.387 -4.064 1.00 4.33 C ATOM 0 H ALA B 8 0.070 -7.510 -4.914 1.00 21.44 H new ATOM 0 HA ALA B 8 -0.504 -4.771 -5.432 1.00 51.32 H new ATOM 0 HB1 ALA B 8 1.430 -4.379 -3.922 1.00 4.33 H new ATOM 0 HB2 ALA B 8 0.332 -5.618 -3.268 1.00 4.33 H new ATOM 0 HB3 ALA B 8 1.862 -6.102 -4.036 1.00 4.33 H new ATOM 1407 N GLY B 9 2.183 -6.032 -6.922 1.00 4.14 N ATOM 1408 CA GLY B 9 3.096 -5.886 -8.057 1.00 44.22 C ATOM 1409 C GLY B 9 2.384 -5.856 -9.412 1.00 15.34 C ATOM 1410 O GLY B 9 2.753 -5.077 -10.297 1.00 71.21 O ATOM 0 H GLY B 9 2.285 -6.915 -6.422 1.00 4.14 H new ATOM 0 HA2 GLY B 9 3.670 -4.967 -7.936 1.00 44.22 H new ATOM 0 HA3 GLY B 9 3.809 -6.710 -8.048 1.00 44.22 H new ATOM 1414 N ALA B 10 1.356 -6.714 -9.563 1.00 20.43 N ATOM 1415 CA ALA B 10 0.534 -6.797 -10.794 1.00 42.33 C ATOM 1416 C ALA B 10 -0.190 -5.462 -11.110 1.00 61.04 C ATOM 1417 O ALA B 10 -0.148 -4.975 -12.246 1.00 4.12 O ATOM 1418 CB ALA B 10 -0.491 -7.932 -10.664 1.00 12.24 C ATOM 0 H ALA B 10 1.069 -7.371 -8.837 1.00 20.43 H new ATOM 0 HA ALA B 10 1.210 -7.004 -11.623 1.00 42.33 H new ATOM 0 HB1 ALA B 10 -1.091 -7.986 -11.572 1.00 12.24 H new ATOM 0 HB2 ALA B 10 0.030 -8.878 -10.516 1.00 12.24 H new ATOM 0 HB3 ALA B 10 -1.141 -7.739 -9.811 1.00 12.24 H new ATOM 1424 N LEU B 11 -0.836 -4.877 -10.079 1.00 24.44 N ATOM 1425 CA LEU B 11 -1.568 -3.594 -10.202 1.00 62.42 C ATOM 1426 C LEU B 11 -0.633 -2.414 -10.522 1.00 74.54 C ATOM 1427 O LEU B 11 -1.032 -1.490 -11.221 1.00 32.53 O ATOM 1428 CB LEU B 11 -2.361 -3.295 -8.906 1.00 0.32 C ATOM 1429 CG LEU B 11 -3.530 -4.275 -8.601 1.00 55.45 C ATOM 1430 CD1 LEU B 11 -4.149 -3.989 -7.226 1.00 13.20 C ATOM 1431 CD2 LEU B 11 -4.600 -4.242 -9.718 1.00 41.04 C ATOM 0 H LEU B 11 -0.866 -5.277 -9.141 1.00 24.44 H new ATOM 0 HA LEU B 11 -2.259 -3.704 -11.037 1.00 62.42 H new ATOM 0 HB2 LEU B 11 -1.668 -3.309 -8.065 1.00 0.32 H new ATOM 0 HB3 LEU B 11 -2.764 -2.284 -8.971 1.00 0.32 H new ATOM 0 HG LEU B 11 -3.117 -5.283 -8.574 1.00 55.45 H new ATOM 0 HD11 LEU B 11 -4.963 -4.690 -7.041 1.00 13.20 H new ATOM 0 HD12 LEU B 11 -3.389 -4.104 -6.454 1.00 13.20 H new ATOM 0 HD13 LEU B 11 -4.535 -2.970 -7.206 1.00 13.20 H new ATOM 0 HD21 LEU B 11 -5.403 -4.938 -9.474 1.00 41.04 H new ATOM 0 HD22 LEU B 11 -5.007 -3.234 -9.802 1.00 41.04 H new ATOM 0 HD23 LEU B 11 -4.146 -4.530 -10.666 1.00 41.04 H new ATOM 1443 N ALA B 12 0.618 -2.473 -10.027 1.00 33.35 N ATOM 1444 CA ALA B 12 1.618 -1.388 -10.215 1.00 45.52 C ATOM 1445 C ALA B 12 1.830 -1.007 -11.705 1.00 11.44 C ATOM 1446 O ALA B 12 2.136 0.144 -12.017 1.00 73.35 O ATOM 1447 CB ALA B 12 2.949 -1.793 -9.575 1.00 20.31 C ATOM 0 H ALA B 12 0.969 -3.265 -9.488 1.00 33.35 H new ATOM 0 HA ALA B 12 1.222 -0.500 -9.722 1.00 45.52 H new ATOM 0 HB1 ALA B 12 3.678 -0.995 -9.715 1.00 20.31 H new ATOM 0 HB2 ALA B 12 2.802 -1.967 -8.509 1.00 20.31 H new ATOM 0 HB3 ALA B 12 3.316 -2.706 -10.044 1.00 20.31 H new ATOM 1453 N GLY B 13 1.654 -1.999 -12.599 1.00 21.14 N ATOM 1454 CA GLY B 13 1.685 -1.771 -14.047 1.00 51.03 C ATOM 1455 C GLY B 13 0.587 -0.821 -14.555 1.00 0.11 C ATOM 1456 O GLY B 13 0.882 0.177 -15.218 1.00 11.30 O ATOM 0 H GLY B 13 1.488 -2.970 -12.336 1.00 21.14 H new ATOM 0 HA2 GLY B 13 2.658 -1.363 -14.319 1.00 51.03 H new ATOM 0 HA3 GLY B 13 1.587 -2.729 -14.557 1.00 51.03 H new ATOM 1460 N GLN B 14 -0.682 -1.123 -14.214 1.00 45.41 N ATOM 1461 CA GLN B 14 -1.858 -0.336 -14.677 1.00 11.24 C ATOM 1462 C GLN B 14 -1.990 1.028 -13.944 1.00 44.53 C ATOM 1463 O GLN B 14 -2.460 2.008 -14.538 1.00 14.34 O ATOM 1464 CB GLN B 14 -3.165 -1.176 -14.553 1.00 53.42 C ATOM 1465 CG GLN B 14 -3.509 -1.659 -13.133 1.00 73.34 C ATOM 1466 CD GLN B 14 -4.692 -2.628 -13.082 1.00 4.41 C ATOM 1467 OE1 GLN B 14 -5.837 -2.233 -12.914 1.00 61.20 O ATOM 1468 NE2 GLN B 14 -4.422 -3.908 -13.256 1.00 12.44 N ATOM 0 H GLN B 14 -0.926 -1.912 -13.615 1.00 45.41 H new ATOM 0 HA GLN B 14 -1.695 -0.104 -15.730 1.00 11.24 H new ATOM 0 HB2 GLN B 14 -3.997 -0.579 -14.926 1.00 53.42 H new ATOM 0 HB3 GLN B 14 -3.080 -2.046 -15.204 1.00 53.42 H new ATOM 0 HG2 GLN B 14 -2.634 -2.145 -12.702 1.00 73.34 H new ATOM 0 HG3 GLN B 14 -3.732 -0.794 -12.509 1.00 73.34 H new ATOM 0 HE21 GLN B 14 -3.458 -4.212 -13.394 1.00 12.44 H new ATOM 0 HE22 GLN B 14 -5.177 -4.594 -13.252 1.00 12.44 H new ATOM 1477 N ILE B 15 -1.572 1.088 -12.656 1.00 72.52 N ATOM 1478 CA ILE B 15 -1.537 2.357 -11.873 1.00 50.31 C ATOM 1479 C ILE B 15 -0.529 3.347 -12.521 1.00 4.42 C ATOM 1480 O ILE B 15 -0.823 4.538 -12.693 1.00 74.12 O ATOM 1481 CB ILE B 15 -1.152 2.107 -10.353 1.00 71.34 C ATOM 1482 CG1 ILE B 15 -2.083 1.035 -9.690 1.00 23.23 C ATOM 1483 CG2 ILE B 15 -1.169 3.424 -9.526 1.00 44.31 C ATOM 1484 CD1 ILE B 15 -3.564 1.370 -9.665 1.00 70.32 C ATOM 0 H ILE B 15 -1.253 0.273 -12.133 1.00 72.52 H new ATOM 0 HA ILE B 15 -2.539 2.786 -11.891 1.00 50.31 H new ATOM 0 HB ILE B 15 -0.132 1.722 -10.350 1.00 71.34 H new ATOM 0 HG12 ILE B 15 -1.952 0.091 -10.219 1.00 23.23 H new ATOM 0 HG13 ILE B 15 -1.749 0.875 -8.665 1.00 23.23 H new ATOM 0 HG21 ILE B 15 -0.900 3.208 -8.492 1.00 44.31 H new ATOM 0 HG22 ILE B 15 -0.452 4.128 -9.948 1.00 44.31 H new ATOM 0 HG23 ILE B 15 -2.167 3.861 -9.557 1.00 44.31 H new ATOM 0 HD11 ILE B 15 -4.112 0.560 -9.184 1.00 70.32 H new ATOM 0 HD12 ILE B 15 -3.719 2.294 -9.107 1.00 70.32 H new ATOM 0 HD13 ILE B 15 -3.926 1.497 -10.685 1.00 70.32 H new ATOM 1496 N TRP B 16 0.653 2.807 -12.893 1.00 24.11 N ATOM 1497 CA TRP B 16 1.685 3.543 -13.662 1.00 42.44 C ATOM 1498 C TRP B 16 1.143 4.014 -15.040 1.00 64.11 C ATOM 1499 O TRP B 16 1.384 5.150 -15.443 1.00 51.25 O ATOM 1500 CB TRP B 16 2.946 2.647 -13.856 1.00 3.20 C ATOM 1501 CG TRP B 16 4.142 3.362 -14.458 1.00 22.12 C ATOM 1502 CD1 TRP B 16 5.136 4.014 -13.780 1.00 34.55 C ATOM 1503 CD2 TRP B 16 4.463 3.496 -15.856 1.00 54.13 C ATOM 1504 NE1 TRP B 16 6.033 4.557 -14.664 1.00 51.43 N ATOM 1505 CE2 TRP B 16 5.644 4.252 -15.940 1.00 33.11 C ATOM 1506 CE3 TRP B 16 3.861 3.055 -17.039 1.00 11.34 C ATOM 1507 CZ2 TRP B 16 6.234 4.581 -17.157 1.00 11.42 C ATOM 1508 CZ3 TRP B 16 4.447 3.377 -18.245 1.00 62.04 C ATOM 1509 CH2 TRP B 16 5.622 4.137 -18.298 1.00 70.14 C ATOM 0 H TRP B 16 0.920 1.848 -12.669 1.00 24.11 H new ATOM 0 HA TRP B 16 1.958 4.431 -13.092 1.00 42.44 H new ATOM 0 HB2 TRP B 16 3.235 2.234 -12.889 1.00 3.20 H new ATOM 0 HB3 TRP B 16 2.682 1.805 -14.496 1.00 3.20 H new ATOM 0 HD1 TRP B 16 5.204 4.090 -12.705 1.00 34.55 H new ATOM 0 HE1 TRP B 16 6.858 5.101 -14.411 1.00 51.43 H new ATOM 0 HE3 TRP B 16 2.952 2.472 -17.008 1.00 11.34 H new ATOM 0 HZ2 TRP B 16 7.141 5.165 -17.199 1.00 11.42 H new ATOM 0 HZ3 TRP B 16 3.992 3.037 -19.164 1.00 62.04 H new ATOM 0 HH2 TRP B 16 6.054 4.378 -19.258 1.00 70.14 H new ATOM 1520 N GLU B 17 0.421 3.120 -15.756 1.00 54.12 N ATOM 1521 CA GLU B 17 -0.158 3.430 -17.093 1.00 13.40 C ATOM 1522 C GLU B 17 -1.173 4.595 -17.053 1.00 11.24 C ATOM 1523 O GLU B 17 -1.281 5.361 -18.019 1.00 32.51 O ATOM 1524 CB GLU B 17 -0.824 2.181 -17.730 1.00 71.03 C ATOM 1525 CG GLU B 17 0.158 1.100 -18.236 1.00 65.40 C ATOM 1526 CD GLU B 17 1.120 1.569 -19.352 1.00 61.12 C ATOM 1527 OE1 GLU B 17 0.723 2.395 -20.210 1.00 52.35 O ATOM 1528 OE2 GLU B 17 2.272 1.094 -19.394 1.00 35.55 O ATOM 0 H GLU B 17 0.223 2.173 -15.432 1.00 54.12 H new ATOM 0 HA GLU B 17 0.683 3.743 -17.712 1.00 13.40 H new ATOM 0 HB2 GLU B 17 -1.490 1.729 -16.995 1.00 71.03 H new ATOM 0 HB3 GLU B 17 -1.444 2.506 -18.565 1.00 71.03 H new ATOM 0 HG2 GLU B 17 0.749 0.743 -17.393 1.00 65.40 H new ATOM 0 HG3 GLU B 17 -0.417 0.251 -18.605 1.00 65.40 H new ATOM 1535 N ALA B 18 -1.918 4.716 -15.941 1.00 64.14 N ATOM 1536 CA ALA B 18 -2.842 5.851 -15.723 1.00 31.44 C ATOM 1537 C ALA B 18 -2.065 7.191 -15.587 1.00 74.13 C ATOM 1538 O ALA B 18 -2.521 8.238 -16.056 1.00 12.22 O ATOM 1539 CB ALA B 18 -3.708 5.583 -14.486 1.00 21.14 C ATOM 0 H ALA B 18 -1.901 4.042 -15.176 1.00 64.14 H new ATOM 0 HA ALA B 18 -3.493 5.944 -16.592 1.00 31.44 H new ATOM 0 HB1 ALA B 18 -4.387 6.421 -14.329 1.00 21.14 H new ATOM 0 HB2 ALA B 18 -4.286 4.671 -14.637 1.00 21.14 H new ATOM 0 HB3 ALA B 18 -3.067 5.466 -13.612 1.00 21.14 H new ATOM 1545 N LEU B 19 -0.880 7.127 -14.955 1.00 51.50 N ATOM 1546 CA LEU B 19 0.036 8.285 -14.807 1.00 42.45 C ATOM 1547 C LEU B 19 0.894 8.534 -16.081 1.00 40.13 C ATOM 1548 O LEU B 19 1.426 9.638 -16.273 1.00 63.22 O ATOM 1549 CB LEU B 19 0.952 8.057 -13.579 1.00 22.13 C ATOM 1550 CG LEU B 19 0.225 7.954 -12.204 1.00 42.13 C ATOM 1551 CD1 LEU B 19 1.215 7.638 -11.061 1.00 31.13 C ATOM 1552 CD2 LEU B 19 -0.573 9.242 -11.918 1.00 50.42 C ATOM 0 H LEU B 19 -0.524 6.271 -14.529 1.00 51.50 H new ATOM 0 HA LEU B 19 -0.574 9.176 -14.661 1.00 42.45 H new ATOM 0 HB2 LEU B 19 1.521 7.141 -13.738 1.00 22.13 H new ATOM 0 HB3 LEU B 19 1.671 8.874 -13.529 1.00 22.13 H new ATOM 0 HG LEU B 19 -0.478 7.123 -12.256 1.00 42.13 H new ATOM 0 HD11 LEU B 19 0.673 7.574 -10.118 1.00 31.13 H new ATOM 0 HD12 LEU B 19 1.710 6.688 -11.261 1.00 31.13 H new ATOM 0 HD13 LEU B 19 1.962 8.430 -10.997 1.00 31.13 H new ATOM 0 HD21 LEU B 19 -1.074 9.153 -10.954 1.00 50.42 H new ATOM 0 HD22 LEU B 19 0.107 10.094 -11.896 1.00 50.42 H new ATOM 0 HD23 LEU B 19 -1.316 9.391 -12.701 1.00 50.42 H new ATOM 1564 N ASN B 20 1.021 7.507 -16.938 1.00 25.43 N ATOM 1565 CA ASN B 20 1.801 7.577 -18.195 1.00 25.22 C ATOM 1566 C ASN B 20 1.131 8.535 -19.217 1.00 1.23 C ATOM 1567 O ASN B 20 -0.031 8.349 -19.588 1.00 34.33 O ATOM 1568 CB ASN B 20 1.956 6.144 -18.777 1.00 34.13 C ATOM 1569 CG ASN B 20 2.708 6.064 -20.110 1.00 24.52 C ATOM 1570 OD1 ASN B 20 3.569 6.885 -20.414 1.00 71.44 O ATOM 1571 ND2 ASN B 20 2.395 5.060 -20.909 1.00 32.54 N ATOM 0 H ASN B 20 0.585 6.598 -16.782 1.00 25.43 H new ATOM 0 HA ASN B 20 2.790 7.983 -17.983 1.00 25.22 H new ATOM 0 HB2 ASN B 20 2.476 5.526 -18.046 1.00 34.13 H new ATOM 0 HB3 ASN B 20 0.964 5.713 -18.910 1.00 34.13 H new ATOM 0 HD21 ASN B 20 2.873 4.952 -21.804 1.00 32.54 H new ATOM 0 HD22 ASN B 20 1.676 4.392 -20.631 1.00 32.54 H new ATOM 1578 N GLY B 21 1.882 9.568 -19.647 1.00 70.23 N ATOM 1579 CA GLY B 21 1.393 10.560 -20.619 1.00 34.24 C ATOM 1580 C GLY B 21 0.560 11.697 -20.004 1.00 45.51 C ATOM 1581 O GLY B 21 -0.031 12.495 -20.737 1.00 52.31 O ATOM 0 H GLY B 21 2.837 9.736 -19.332 1.00 70.23 H new ATOM 0 HA2 GLY B 21 2.248 10.993 -21.139 1.00 34.24 H new ATOM 0 HA3 GLY B 21 0.789 10.049 -21.369 1.00 34.24 H new ATOM 1585 N THR B 22 0.507 11.772 -18.654 1.00 22.20 N ATOM 1586 CA THR B 22 -0.250 12.831 -17.921 1.00 0.30 C ATOM 1587 C THR B 22 0.687 13.697 -17.042 1.00 54.23 C ATOM 1588 O THR B 22 1.846 13.343 -16.796 1.00 71.05 O ATOM 1589 CB THR B 22 -1.370 12.227 -16.990 1.00 43.23 C ATOM 1590 OG1 THR B 22 -0.776 11.530 -15.881 1.00 33.33 O ATOM 1591 CG2 THR B 22 -2.307 11.261 -17.738 1.00 22.23 C ATOM 0 H THR B 22 0.981 11.109 -18.040 1.00 22.20 H new ATOM 0 HA THR B 22 -0.713 13.447 -18.692 1.00 0.30 H new ATOM 0 HB THR B 22 -1.965 13.069 -16.637 1.00 43.23 H new ATOM 0 HG1 THR B 22 -0.040 10.969 -16.204 1.00 33.33 H new ATOM 0 HG21 THR B 22 -3.058 10.876 -17.048 1.00 22.23 H new ATOM 0 HG22 THR B 22 -2.800 11.791 -18.553 1.00 22.23 H new ATOM 0 HG23 THR B 22 -1.727 10.432 -18.143 1.00 22.23 H new ATOM 1599 N GLU B 23 0.145 14.832 -16.550 1.00 41.13 N ATOM 1600 CA GLU B 23 0.806 15.708 -15.540 1.00 72.41 C ATOM 1601 C GLU B 23 0.607 15.161 -14.097 1.00 32.31 C ATOM 1602 O GLU B 23 0.922 15.845 -13.112 1.00 14.14 O ATOM 1603 CB GLU B 23 0.239 17.166 -15.624 1.00 23.51 C ATOM 1604 CG GLU B 23 0.459 17.911 -16.964 1.00 42.44 C ATOM 1605 CD GLU B 23 -0.283 17.293 -18.166 1.00 32.45 C ATOM 1606 OE1 GLU B 23 -1.521 17.430 -18.243 1.00 70.41 O ATOM 1607 OE2 GLU B 23 0.363 16.629 -19.014 1.00 43.42 O ATOM 0 H GLU B 23 -0.771 15.175 -16.841 1.00 41.13 H new ATOM 0 HA GLU B 23 1.873 15.717 -15.765 1.00 72.41 H new ATOM 0 HB2 GLU B 23 -0.832 17.129 -15.425 1.00 23.51 H new ATOM 0 HB3 GLU B 23 0.691 17.756 -14.826 1.00 23.51 H new ATOM 0 HG2 GLU B 23 0.138 18.946 -16.847 1.00 42.44 H new ATOM 0 HG3 GLU B 23 1.527 17.932 -17.183 1.00 42.44 H new ATOM 1614 N GLY B 24 0.121 13.911 -13.994 1.00 2.02 N ATOM 1615 CA GLY B 24 -0.286 13.306 -12.729 1.00 52.45 C ATOM 1616 C GLY B 24 -1.806 13.254 -12.574 1.00 21.41 C ATOM 1617 O GLY B 24 -2.520 14.144 -13.055 1.00 2.13 O ATOM 0 H GLY B 24 0.002 13.294 -14.797 1.00 2.02 H new ATOM 0 HA2 GLY B 24 0.118 12.296 -12.665 1.00 52.45 H new ATOM 0 HA3 GLY B 24 0.142 13.874 -11.903 1.00 52.45 H new ATOM 1621 N LEU B 25 -2.306 12.223 -11.878 1.00 25.43 N ATOM 1622 CA LEU B 25 -3.752 12.027 -11.624 1.00 73.11 C ATOM 1623 C LEU B 25 -4.001 11.807 -10.125 1.00 31.42 C ATOM 1624 O LEU B 25 -3.085 11.452 -9.373 1.00 42.54 O ATOM 1625 CB LEU B 25 -4.315 10.813 -12.424 1.00 63.33 C ATOM 1626 CG LEU B 25 -4.316 10.922 -13.982 1.00 24.45 C ATOM 1627 CD1 LEU B 25 -4.980 9.681 -14.614 1.00 4.30 C ATOM 1628 CD2 LEU B 25 -5.007 12.218 -14.468 1.00 3.32 C ATOM 0 H LEU B 25 -1.720 11.494 -11.471 1.00 25.43 H new ATOM 0 HA LEU B 25 -4.269 12.927 -11.957 1.00 73.11 H new ATOM 0 HB2 LEU B 25 -3.739 9.930 -12.148 1.00 63.33 H new ATOM 0 HB3 LEU B 25 -5.340 10.639 -12.097 1.00 63.33 H new ATOM 0 HG LEU B 25 -3.276 10.965 -14.307 1.00 24.45 H new ATOM 0 HD11 LEU B 25 -4.971 9.777 -15.700 1.00 4.30 H new ATOM 0 HD12 LEU B 25 -4.429 8.786 -14.324 1.00 4.30 H new ATOM 0 HD13 LEU B 25 -6.010 9.602 -14.266 1.00 4.30 H new ATOM 0 HD21 LEU B 25 -4.986 12.255 -15.557 1.00 3.32 H new ATOM 0 HD22 LEU B 25 -6.041 12.230 -14.124 1.00 3.32 H new ATOM 0 HD23 LEU B 25 -4.481 13.084 -14.066 1.00 3.32 H new ATOM 1640 N THR B 26 -5.255 12.018 -9.701 1.00 20.24 N ATOM 1641 CA THR B 26 -5.698 11.695 -8.333 1.00 21.15 C ATOM 1642 C THR B 26 -6.079 10.201 -8.220 1.00 74.20 C ATOM 1643 O THR B 26 -6.184 9.498 -9.236 1.00 32.33 O ATOM 1644 CB THR B 26 -6.911 12.574 -7.893 1.00 70.43 C ATOM 1645 OG1 THR B 26 -8.072 12.260 -8.683 1.00 44.31 O ATOM 1646 CG2 THR B 26 -6.604 14.079 -7.999 1.00 32.01 C ATOM 0 H THR B 26 -5.988 12.414 -10.290 1.00 20.24 H new ATOM 0 HA THR B 26 -4.861 11.908 -7.669 1.00 21.15 H new ATOM 0 HB THR B 26 -7.108 12.345 -6.846 1.00 70.43 H new ATOM 0 HG1 THR B 26 -8.849 12.154 -8.095 1.00 44.31 H new ATOM 0 HG21 THR B 26 -7.476 14.651 -7.683 1.00 32.01 H new ATOM 0 HG22 THR B 26 -5.757 14.324 -7.358 1.00 32.01 H new ATOM 0 HG23 THR B 26 -6.361 14.329 -9.032 1.00 32.01 H new ATOM 1654 N GLN B 27 -6.298 9.735 -6.975 1.00 43.53 N ATOM 1655 CA GLN B 27 -6.630 8.324 -6.675 1.00 34.51 C ATOM 1656 C GLN B 27 -7.882 7.824 -7.450 1.00 33.20 C ATOM 1657 O GLN B 27 -7.899 6.701 -7.946 1.00 21.42 O ATOM 1658 CB GLN B 27 -6.823 8.141 -5.143 1.00 5.42 C ATOM 1659 CG GLN B 27 -7.950 8.989 -4.522 1.00 21.54 C ATOM 1660 CD GLN B 27 -8.117 8.771 -3.022 1.00 74.35 C ATOM 1661 OE1 GLN B 27 -7.529 9.474 -2.208 1.00 44.13 O ATOM 1662 NE2 GLN B 27 -8.901 7.784 -2.644 1.00 1.31 N ATOM 0 H GLN B 27 -6.250 10.326 -6.145 1.00 43.53 H new ATOM 0 HA GLN B 27 -5.793 7.713 -7.013 1.00 34.51 H new ATOM 0 HB2 GLN B 27 -7.027 7.089 -4.941 1.00 5.42 H new ATOM 0 HB3 GLN B 27 -5.886 8.386 -4.642 1.00 5.42 H new ATOM 0 HG2 GLN B 27 -7.745 10.043 -4.708 1.00 21.54 H new ATOM 0 HG3 GLN B 27 -8.889 8.754 -5.022 1.00 21.54 H new ATOM 0 HE21 GLN B 27 -9.378 7.215 -3.343 1.00 1.31 H new ATOM 0 HE22 GLN B 27 -9.032 7.588 -1.652 1.00 1.31 H new ATOM 1671 N LYS B 28 -8.912 8.688 -7.539 1.00 54.42 N ATOM 1672 CA LYS B 28 -10.189 8.387 -8.234 1.00 70.24 C ATOM 1673 C LYS B 28 -10.039 8.374 -9.775 1.00 0.05 C ATOM 1674 O LYS B 28 -10.684 7.567 -10.451 1.00 12.11 O ATOM 1675 CB LYS B 28 -11.266 9.411 -7.802 1.00 51.01 C ATOM 1676 CG LYS B 28 -11.575 9.388 -6.289 1.00 64.33 C ATOM 1677 CD LYS B 28 -12.526 10.527 -5.863 1.00 31.24 C ATOM 1678 CE LYS B 28 -12.773 10.560 -4.346 1.00 33.42 C ATOM 1679 NZ LYS B 28 -13.498 11.790 -3.939 1.00 72.10 N ATOM 0 H LYS B 28 -8.886 9.622 -7.130 1.00 54.42 H new ATOM 0 HA LYS B 28 -10.495 7.382 -7.943 1.00 70.24 H new ATOM 0 HB2 LYS B 28 -10.936 10.412 -8.081 1.00 51.01 H new ATOM 0 HB3 LYS B 28 -12.185 9.213 -8.354 1.00 51.01 H new ATOM 0 HG2 LYS B 28 -12.022 8.429 -6.027 1.00 64.33 H new ATOM 0 HG3 LYS B 28 -10.643 9.469 -5.730 1.00 64.33 H new ATOM 0 HD2 LYS B 28 -12.106 11.482 -6.179 1.00 31.24 H new ATOM 0 HD3 LYS B 28 -13.479 10.411 -6.379 1.00 31.24 H new ATOM 0 HE2 LYS B 28 -13.349 9.683 -4.051 1.00 33.42 H new ATOM 0 HE3 LYS B 28 -11.820 10.507 -3.820 1.00 33.42 H new ATOM 0 HZ1 LYS B 28 -13.841 11.684 -2.963 1.00 72.10 H new ATOM 0 HZ2 LYS B 28 -12.855 12.606 -3.993 1.00 72.10 H new ATOM 0 HZ3 LYS B 28 -14.306 11.943 -4.575 1.00 72.10 H new ATOM 1693 N GLN B 29 -9.188 9.272 -10.320 1.00 75.01 N ATOM 1694 CA GLN B 29 -8.911 9.334 -11.781 1.00 51.30 C ATOM 1695 C GLN B 29 -8.169 8.061 -12.263 1.00 75.22 C ATOM 1696 O GLN B 29 -8.475 7.513 -13.331 1.00 13.22 O ATOM 1697 CB GLN B 29 -8.089 10.605 -12.135 1.00 63.42 C ATOM 1698 CG GLN B 29 -8.794 11.942 -11.829 1.00 23.43 C ATOM 1699 CD GLN B 29 -7.970 13.166 -12.250 1.00 35.03 C ATOM 1700 OE1 GLN B 29 -7.175 13.692 -11.480 1.00 75.53 O ATOM 1701 NE2 GLN B 29 -8.138 13.615 -13.481 1.00 1.25 N ATOM 0 H GLN B 29 -8.679 9.966 -9.773 1.00 75.01 H new ATOM 0 HA GLN B 29 -9.869 9.387 -12.298 1.00 51.30 H new ATOM 0 HB2 GLN B 29 -7.147 10.574 -11.588 1.00 63.42 H new ATOM 0 HB3 GLN B 29 -7.842 10.576 -13.196 1.00 63.42 H new ATOM 0 HG2 GLN B 29 -9.756 11.965 -12.342 1.00 23.43 H new ATOM 0 HG3 GLN B 29 -9.001 12.001 -10.760 1.00 23.43 H new ATOM 0 HE21 GLN B 29 -8.806 13.160 -14.103 1.00 1.25 H new ATOM 0 HE22 GLN B 29 -7.600 14.417 -13.809 1.00 1.25 H new ATOM 1710 N ILE B 30 -7.197 7.600 -11.453 1.00 70.32 N ATOM 1711 CA ILE B 30 -6.465 6.339 -11.704 1.00 23.02 C ATOM 1712 C ILE B 30 -7.405 5.118 -11.559 1.00 1.24 C ATOM 1713 O ILE B 30 -7.459 4.274 -12.439 1.00 55.30 O ATOM 1714 CB ILE B 30 -5.243 6.190 -10.723 1.00 53.01 C ATOM 1715 CG1 ILE B 30 -4.236 7.365 -10.927 1.00 45.13 C ATOM 1716 CG2 ILE B 30 -4.534 4.818 -10.877 1.00 72.24 C ATOM 1717 CD1 ILE B 30 -3.034 7.341 -10.003 1.00 44.04 C ATOM 0 H ILE B 30 -6.896 8.087 -10.609 1.00 70.32 H new ATOM 0 HA ILE B 30 -6.089 6.375 -12.727 1.00 23.02 H new ATOM 0 HB ILE B 30 -5.631 6.234 -9.705 1.00 53.01 H new ATOM 0 HG12 ILE B 30 -3.884 7.348 -11.958 1.00 45.13 H new ATOM 0 HG13 ILE B 30 -4.766 8.307 -10.786 1.00 45.13 H new ATOM 0 HG21 ILE B 30 -3.698 4.760 -10.181 1.00 72.24 H new ATOM 0 HG22 ILE B 30 -5.241 4.017 -10.662 1.00 72.24 H new ATOM 0 HG23 ILE B 30 -4.165 4.712 -11.897 1.00 72.24 H new ATOM 0 HD11 ILE B 30 -2.392 8.195 -10.219 1.00 44.04 H new ATOM 0 HD12 ILE B 30 -3.370 7.392 -8.967 1.00 44.04 H new ATOM 0 HD13 ILE B 30 -2.475 6.418 -10.158 1.00 44.04 H new ATOM 1729 N LYS B 31 -8.149 5.067 -10.439 1.00 30.40 N ATOM 1730 CA LYS B 31 -9.109 3.972 -10.112 1.00 42.23 C ATOM 1731 C LYS B 31 -10.156 3.750 -11.240 1.00 23.33 C ATOM 1732 O LYS B 31 -10.510 2.611 -11.574 1.00 14.31 O ATOM 1733 CB LYS B 31 -9.806 4.312 -8.772 1.00 61.13 C ATOM 1734 CG LYS B 31 -10.803 3.257 -8.259 1.00 32.12 C ATOM 1735 CD LYS B 31 -11.406 3.638 -6.890 1.00 54.34 C ATOM 1736 CE LYS B 31 -12.415 2.602 -6.372 1.00 11.14 C ATOM 1737 NZ LYS B 31 -13.594 2.449 -7.267 1.00 33.54 N ATOM 0 H LYS B 31 -8.107 5.789 -9.720 1.00 30.40 H new ATOM 0 HA LYS B 31 -8.555 3.038 -10.021 1.00 42.23 H new ATOM 0 HB2 LYS B 31 -9.040 4.463 -8.012 1.00 61.13 H new ATOM 0 HB3 LYS B 31 -10.333 5.259 -8.886 1.00 61.13 H new ATOM 0 HG2 LYS B 31 -11.606 3.135 -8.986 1.00 32.12 H new ATOM 0 HG3 LYS B 31 -10.299 2.294 -8.176 1.00 32.12 H new ATOM 0 HD2 LYS B 31 -10.602 3.750 -6.163 1.00 54.34 H new ATOM 0 HD3 LYS B 31 -11.898 4.607 -6.972 1.00 54.34 H new ATOM 0 HE2 LYS B 31 -11.917 1.638 -6.266 1.00 11.14 H new ATOM 0 HE3 LYS B 31 -12.754 2.897 -5.379 1.00 11.14 H new ATOM 0 HZ1 LYS B 31 -14.337 1.914 -6.774 1.00 33.54 H new ATOM 0 HZ2 LYS B 31 -13.957 3.388 -7.526 1.00 33.54 H new ATOM 0 HZ3 LYS B 31 -13.313 1.937 -8.127 1.00 33.54 H new ATOM 1751 N LYS B 32 -10.617 4.870 -11.826 1.00 70.14 N ATOM 1752 CA LYS B 32 -11.538 4.881 -12.982 1.00 24.32 C ATOM 1753 C LYS B 32 -10.848 4.305 -14.246 1.00 52.01 C ATOM 1754 O LYS B 32 -11.399 3.434 -14.922 1.00 11.32 O ATOM 1755 CB LYS B 32 -12.016 6.337 -13.241 1.00 23.42 C ATOM 1756 CG LYS B 32 -12.978 6.525 -14.438 1.00 64.14 C ATOM 1757 CD LYS B 32 -14.334 5.798 -14.253 1.00 52.41 C ATOM 1758 CE LYS B 32 -15.325 6.103 -15.392 1.00 33.22 C ATOM 1759 NZ LYS B 32 -15.592 7.564 -15.517 1.00 61.34 N ATOM 0 H LYS B 32 -10.359 5.804 -11.508 1.00 70.14 H new ATOM 0 HA LYS B 32 -12.398 4.250 -12.756 1.00 24.32 H new ATOM 0 HB2 LYS B 32 -12.510 6.703 -12.341 1.00 23.42 H new ATOM 0 HB3 LYS B 32 -11.139 6.964 -13.401 1.00 23.42 H new ATOM 0 HG2 LYS B 32 -13.161 7.589 -14.585 1.00 64.14 H new ATOM 0 HG3 LYS B 32 -12.496 6.157 -15.344 1.00 64.14 H new ATOM 0 HD2 LYS B 32 -14.163 4.723 -14.203 1.00 52.41 H new ATOM 0 HD3 LYS B 32 -14.776 6.095 -13.302 1.00 52.41 H new ATOM 0 HE2 LYS B 32 -14.925 5.725 -16.333 1.00 33.22 H new ATOM 0 HE3 LYS B 32 -16.262 5.577 -15.209 1.00 33.22 H new ATOM 0 HZ1 LYS B 32 -16.426 7.714 -16.120 1.00 61.34 H new ATOM 0 HZ2 LYS B 32 -15.769 7.966 -14.574 1.00 61.34 H new ATOM 0 HZ3 LYS B 32 -14.767 8.032 -15.944 1.00 61.34 H new ATOM 1773 N ALA B 33 -9.625 4.799 -14.529 1.00 60.45 N ATOM 1774 CA ALA B 33 -8.836 4.405 -15.724 1.00 64.11 C ATOM 1775 C ALA B 33 -8.356 2.929 -15.663 1.00 55.42 C ATOM 1776 O ALA B 33 -8.149 2.292 -16.698 1.00 62.41 O ATOM 1777 CB ALA B 33 -7.632 5.351 -15.881 1.00 4.22 C ATOM 0 H ALA B 33 -9.153 5.483 -13.938 1.00 60.45 H new ATOM 0 HA ALA B 33 -9.491 4.487 -16.591 1.00 64.11 H new ATOM 0 HB1 ALA B 33 -7.054 5.061 -16.758 1.00 4.22 H new ATOM 0 HB2 ALA B 33 -7.987 6.374 -16.002 1.00 4.22 H new ATOM 0 HB3 ALA B 33 -7.002 5.288 -14.994 1.00 4.22 H new ATOM 1783 N THR B 34 -8.179 2.407 -14.436 1.00 54.15 N ATOM 1784 CA THR B 34 -7.683 1.028 -14.187 1.00 31.31 C ATOM 1785 C THR B 34 -8.828 0.008 -13.988 1.00 73.05 C ATOM 1786 O THR B 34 -8.575 -1.198 -14.014 1.00 32.31 O ATOM 1787 CB THR B 34 -6.745 0.988 -12.934 1.00 53.21 C ATOM 1788 OG1 THR B 34 -7.457 1.456 -11.771 1.00 42.32 O ATOM 1789 CG2 THR B 34 -5.477 1.838 -13.136 1.00 24.12 C ATOM 0 H THR B 34 -8.375 2.927 -13.581 1.00 54.15 H new ATOM 0 HA THR B 34 -7.126 0.744 -15.080 1.00 31.31 H new ATOM 0 HB THR B 34 -6.436 -0.047 -12.791 1.00 53.21 H new ATOM 0 HG1 THR B 34 -7.558 2.430 -11.819 1.00 42.32 H new ATOM 0 HG21 THR B 34 -4.855 1.782 -12.243 1.00 24.12 H new ATOM 0 HG22 THR B 34 -4.918 1.460 -13.992 1.00 24.12 H new ATOM 0 HG23 THR B 34 -5.759 2.875 -13.317 1.00 24.12 H new ATOM 1797 N LYS B 35 -10.068 0.509 -13.772 1.00 44.31 N ATOM 1798 CA LYS B 35 -11.292 -0.319 -13.568 1.00 52.34 C ATOM 1799 C LYS B 35 -11.269 -1.047 -12.182 1.00 53.04 C ATOM 1800 O LYS B 35 -11.871 -2.114 -11.988 1.00 62.32 O ATOM 1801 CB LYS B 35 -11.512 -1.303 -14.773 1.00 42.20 C ATOM 1802 CG LYS B 35 -12.889 -2.010 -14.820 1.00 5.13 C ATOM 1803 CD LYS B 35 -13.020 -3.006 -15.999 1.00 53.20 C ATOM 1804 CE LYS B 35 -14.341 -3.801 -15.956 1.00 24.35 C ATOM 1805 NZ LYS B 35 -15.536 -2.919 -16.051 1.00 42.35 N ATOM 0 H LYS B 35 -10.254 1.511 -13.733 1.00 44.31 H new ATOM 0 HA LYS B 35 -12.155 0.347 -13.545 1.00 52.34 H new ATOM 0 HB2 LYS B 35 -11.378 -0.747 -15.701 1.00 42.20 H new ATOM 0 HB3 LYS B 35 -10.734 -2.065 -14.742 1.00 42.20 H new ATOM 0 HG2 LYS B 35 -13.050 -2.543 -13.883 1.00 5.13 H new ATOM 0 HG3 LYS B 35 -13.674 -1.258 -14.898 1.00 5.13 H new ATOM 0 HD2 LYS B 35 -12.959 -2.460 -16.940 1.00 53.20 H new ATOM 0 HD3 LYS B 35 -12.181 -3.701 -15.978 1.00 53.20 H new ATOM 0 HE2 LYS B 35 -14.357 -4.519 -16.776 1.00 24.35 H new ATOM 0 HE3 LYS B 35 -14.388 -4.373 -15.030 1.00 24.35 H new ATOM 0 HZ1 LYS B 35 -16.398 -3.501 -16.052 1.00 42.35 H new ATOM 0 HZ2 LYS B 35 -15.556 -2.272 -15.237 1.00 42.35 H new ATOM 0 HZ3 LYS B 35 -15.491 -2.366 -16.931 1.00 42.35 H new ATOM 1819 N LEU B 36 -10.599 -0.426 -11.189 1.00 72.45 N ATOM 1820 CA LEU B 36 -10.588 -0.932 -9.795 1.00 33.13 C ATOM 1821 C LEU B 36 -11.948 -0.654 -9.101 1.00 51.34 C ATOM 1822 O LEU B 36 -12.422 0.488 -9.058 1.00 32.41 O ATOM 1823 CB LEU B 36 -9.411 -0.319 -8.980 1.00 50.10 C ATOM 1824 CG LEU B 36 -7.975 -0.783 -9.392 1.00 63.12 C ATOM 1825 CD1 LEU B 36 -6.898 -0.096 -8.522 1.00 35.31 C ATOM 1826 CD2 LEU B 36 -7.839 -2.326 -9.334 1.00 24.14 C ATOM 0 H LEU B 36 -10.057 0.428 -11.324 1.00 72.45 H new ATOM 0 HA LEU B 36 -10.437 -2.011 -9.831 1.00 33.13 H new ATOM 0 HB2 LEU B 36 -9.460 0.766 -9.069 1.00 50.10 H new ATOM 0 HB3 LEU B 36 -9.561 -0.559 -7.927 1.00 50.10 H new ATOM 0 HG LEU B 36 -7.815 -0.478 -10.426 1.00 63.12 H new ATOM 0 HD11 LEU B 36 -5.910 -0.437 -8.830 1.00 35.31 H new ATOM 0 HD12 LEU B 36 -6.964 0.985 -8.647 1.00 35.31 H new ATOM 0 HD13 LEU B 36 -7.059 -0.351 -7.475 1.00 35.31 H new ATOM 0 HD21 LEU B 36 -6.829 -2.613 -9.626 1.00 24.14 H new ATOM 0 HD22 LEU B 36 -8.035 -2.671 -8.319 1.00 24.14 H new ATOM 0 HD23 LEU B 36 -8.557 -2.780 -10.016 1.00 24.14 H new ATOM 1838 N LYS B 37 -12.574 -1.726 -8.584 1.00 14.13 N ATOM 1839 CA LYS B 37 -13.879 -1.664 -7.883 1.00 22.10 C ATOM 1840 C LYS B 37 -13.712 -1.071 -6.460 1.00 73.51 C ATOM 1841 O LYS B 37 -14.429 -0.142 -6.063 1.00 32.13 O ATOM 1842 CB LYS B 37 -14.496 -3.094 -7.840 1.00 13.34 C ATOM 1843 CG LYS B 37 -15.880 -3.200 -7.158 1.00 34.33 C ATOM 1844 CD LYS B 37 -16.499 -4.612 -7.305 1.00 4.02 C ATOM 1845 CE LYS B 37 -17.893 -4.731 -6.659 1.00 21.12 C ATOM 1846 NZ LYS B 37 -17.852 -4.573 -5.177 1.00 44.30 N ATOM 0 H LYS B 37 -12.190 -2.669 -8.639 1.00 14.13 H new ATOM 0 HA LYS B 37 -14.556 -1.003 -8.424 1.00 22.10 H new ATOM 0 HB2 LYS B 37 -14.584 -3.464 -8.862 1.00 13.34 H new ATOM 0 HB3 LYS B 37 -13.802 -3.755 -7.320 1.00 13.34 H new ATOM 0 HG2 LYS B 37 -15.781 -2.957 -6.100 1.00 34.33 H new ATOM 0 HG3 LYS B 37 -16.555 -2.463 -7.593 1.00 34.33 H new ATOM 0 HD2 LYS B 37 -16.573 -4.861 -8.364 1.00 4.02 H new ATOM 0 HD3 LYS B 37 -15.831 -5.344 -6.851 1.00 4.02 H new ATOM 0 HE2 LYS B 37 -18.552 -3.974 -7.084 1.00 21.12 H new ATOM 0 HE3 LYS B 37 -18.322 -5.702 -6.906 1.00 21.12 H new ATOM 0 HZ1 LYS B 37 -18.812 -4.678 -4.790 1.00 44.30 H new ATOM 0 HZ2 LYS B 37 -17.232 -5.300 -4.767 1.00 44.30 H new ATOM 0 HZ3 LYS B 37 -17.484 -3.630 -4.938 1.00 44.30 H new ATOM 1860 N ALA B 38 -12.729 -1.611 -5.721 1.00 11.53 N ATOM 1861 CA ALA B 38 -12.347 -1.135 -4.374 1.00 3.51 C ATOM 1862 C ALA B 38 -11.037 -0.310 -4.440 1.00 30.41 C ATOM 1863 O ALA B 38 -10.088 -0.687 -5.137 1.00 53.21 O ATOM 1864 CB ALA B 38 -12.194 -2.332 -3.421 1.00 63.44 C ATOM 0 H ALA B 38 -12.168 -2.400 -6.043 1.00 11.53 H new ATOM 0 HA ALA B 38 -13.134 -0.484 -3.992 1.00 3.51 H new ATOM 0 HB1 ALA B 38 -11.913 -1.975 -2.430 1.00 63.44 H new ATOM 0 HB2 ALA B 38 -13.140 -2.870 -3.358 1.00 63.44 H new ATOM 0 HB3 ALA B 38 -11.421 -3.001 -3.799 1.00 63.44 H new ATOM 1870 N ASP B 39 -11.012 0.832 -3.722 1.00 31.13 N ATOM 1871 CA ASP B 39 -9.818 1.717 -3.614 1.00 15.43 C ATOM 1872 C ASP B 39 -8.676 1.050 -2.816 1.00 14.15 C ATOM 1873 O ASP B 39 -7.513 1.406 -2.990 1.00 15.12 O ATOM 1874 CB ASP B 39 -10.201 3.091 -2.995 1.00 25.03 C ATOM 1875 CG ASP B 39 -10.939 2.968 -1.650 1.00 1.51 C ATOM 1876 OD1 ASP B 39 -12.179 2.835 -1.662 1.00 73.52 O ATOM 1877 OD2 ASP B 39 -10.286 2.982 -0.583 1.00 34.24 O ATOM 0 H ASP B 39 -11.817 1.173 -3.197 1.00 31.13 H new ATOM 0 HA ASP B 39 -9.448 1.888 -4.625 1.00 15.43 H new ATOM 0 HB2 ASP B 39 -9.296 3.682 -2.853 1.00 25.03 H new ATOM 0 HB3 ASP B 39 -10.831 3.636 -3.699 1.00 25.03 H new ATOM 1882 N LYS B 40 -9.038 0.081 -1.947 1.00 22.21 N ATOM 1883 CA LYS B 40 -8.082 -0.679 -1.095 1.00 13.32 C ATOM 1884 C LYS B 40 -6.925 -1.315 -1.921 1.00 3.45 C ATOM 1885 O LYS B 40 -5.793 -1.413 -1.442 1.00 31.41 O ATOM 1886 CB LYS B 40 -8.842 -1.794 -0.333 1.00 20.22 C ATOM 1887 CG LYS B 40 -10.113 -1.323 0.413 1.00 51.24 C ATOM 1888 CD LYS B 40 -9.819 -0.426 1.633 1.00 51.52 C ATOM 1889 CE LYS B 40 -11.100 0.020 2.371 1.00 10.23 C ATOM 1890 NZ LYS B 40 -10.795 0.897 3.527 1.00 65.11 N ATOM 0 H LYS B 40 -10.009 -0.202 -1.812 1.00 22.21 H new ATOM 0 HA LYS B 40 -7.636 0.028 -0.396 1.00 13.32 H new ATOM 0 HB2 LYS B 40 -9.122 -2.573 -1.042 1.00 20.22 H new ATOM 0 HB3 LYS B 40 -8.163 -2.249 0.388 1.00 20.22 H new ATOM 0 HG2 LYS B 40 -10.751 -0.778 -0.283 1.00 51.24 H new ATOM 0 HG3 LYS B 40 -10.675 -2.197 0.743 1.00 51.24 H new ATOM 0 HD2 LYS B 40 -9.174 -0.965 2.327 1.00 51.52 H new ATOM 0 HD3 LYS B 40 -9.268 0.456 1.305 1.00 51.52 H new ATOM 0 HE2 LYS B 40 -11.754 0.548 1.677 1.00 10.23 H new ATOM 0 HE3 LYS B 40 -11.645 -0.859 2.716 1.00 10.23 H new ATOM 0 HZ1 LYS B 40 -11.532 0.784 4.252 1.00 65.11 H new ATOM 0 HZ2 LYS B 40 -9.872 0.635 3.927 1.00 65.11 H new ATOM 0 HZ3 LYS B 40 -10.768 1.888 3.213 1.00 65.11 H new ATOM 1904 N ASP B 41 -7.238 -1.711 -3.168 1.00 72.11 N ATOM 1905 CA ASP B 41 -6.280 -2.330 -4.112 1.00 75.03 C ATOM 1906 C ASP B 41 -5.287 -1.281 -4.685 1.00 35.43 C ATOM 1907 O ASP B 41 -4.106 -1.589 -4.915 1.00 31.05 O ATOM 1908 CB ASP B 41 -7.065 -3.004 -5.260 1.00 44.23 C ATOM 1909 CG ASP B 41 -8.073 -4.042 -4.748 1.00 70.13 C ATOM 1910 OD1 ASP B 41 -9.213 -3.659 -4.427 1.00 14.43 O ATOM 1911 OD2 ASP B 41 -7.727 -5.242 -4.653 1.00 64.24 O ATOM 0 H ASP B 41 -8.176 -1.610 -3.557 1.00 72.11 H new ATOM 0 HA ASP B 41 -5.694 -3.076 -3.574 1.00 75.03 H new ATOM 0 HB2 ASP B 41 -7.592 -2.241 -5.833 1.00 44.23 H new ATOM 0 HB3 ASP B 41 -6.364 -3.487 -5.941 1.00 44.23 H new ATOM 1916 N PHE B 42 -5.790 -0.043 -4.902 1.00 21.24 N ATOM 1917 CA PHE B 42 -4.993 1.097 -5.434 1.00 25.21 C ATOM 1918 C PHE B 42 -3.739 1.382 -4.574 1.00 50.42 C ATOM 1919 O PHE B 42 -2.670 1.633 -5.115 1.00 40.53 O ATOM 1920 CB PHE B 42 -5.882 2.381 -5.547 1.00 25.10 C ATOM 1921 CG PHE B 42 -5.101 3.678 -5.798 1.00 32.13 C ATOM 1922 CD1 PHE B 42 -4.549 3.949 -7.047 1.00 31.32 C ATOM 1923 CD2 PHE B 42 -4.889 4.608 -4.770 1.00 75.51 C ATOM 1924 CE1 PHE B 42 -3.821 5.102 -7.264 1.00 74.03 C ATOM 1925 CE2 PHE B 42 -4.155 5.757 -4.993 1.00 24.22 C ATOM 1926 CZ PHE B 42 -3.622 6.004 -6.242 1.00 41.22 C ATOM 0 H PHE B 42 -6.763 0.198 -4.714 1.00 21.24 H new ATOM 0 HA PHE B 42 -4.647 0.815 -6.428 1.00 25.21 H new ATOM 0 HB2 PHE B 42 -6.598 2.241 -6.357 1.00 25.10 H new ATOM 0 HB3 PHE B 42 -6.457 2.491 -4.628 1.00 25.10 H new ATOM 0 HD1 PHE B 42 -4.692 3.248 -7.856 1.00 31.32 H new ATOM 0 HD2 PHE B 42 -5.305 4.423 -3.791 1.00 75.51 H new ATOM 0 HE1 PHE B 42 -3.405 5.298 -8.241 1.00 74.03 H new ATOM 0 HE2 PHE B 42 -3.998 6.462 -4.190 1.00 24.22 H new ATOM 0 HZ PHE B 42 -3.050 6.903 -6.418 1.00 41.22 H new ATOM 1936 N PHE B 43 -3.894 1.343 -3.242 1.00 64.43 N ATOM 1937 CA PHE B 43 -2.795 1.635 -2.280 1.00 64.22 C ATOM 1938 C PHE B 43 -1.623 0.627 -2.401 1.00 33.15 C ATOM 1939 O PHE B 43 -0.461 0.991 -2.205 1.00 23.55 O ATOM 1940 CB PHE B 43 -3.337 1.638 -0.834 1.00 10.13 C ATOM 1941 CG PHE B 43 -4.474 2.627 -0.605 1.00 43.53 C ATOM 1942 CD1 PHE B 43 -4.216 3.981 -0.403 1.00 34.21 C ATOM 1943 CD2 PHE B 43 -5.797 2.208 -0.610 1.00 15.20 C ATOM 1944 CE1 PHE B 43 -5.251 4.876 -0.214 1.00 32.33 C ATOM 1945 CE2 PHE B 43 -6.827 3.103 -0.422 1.00 1.24 C ATOM 1946 CZ PHE B 43 -6.555 4.437 -0.224 1.00 1.24 C ATOM 0 H PHE B 43 -4.779 1.110 -2.792 1.00 64.43 H new ATOM 0 HA PHE B 43 -2.406 2.622 -2.528 1.00 64.22 H new ATOM 0 HB2 PHE B 43 -3.684 0.635 -0.584 1.00 10.13 H new ATOM 0 HB3 PHE B 43 -2.521 1.872 -0.151 1.00 10.13 H new ATOM 0 HD1 PHE B 43 -3.196 4.335 -0.394 1.00 34.21 H new ATOM 0 HD2 PHE B 43 -6.023 1.163 -0.764 1.00 15.20 H new ATOM 0 HE1 PHE B 43 -5.036 5.923 -0.058 1.00 32.33 H new ATOM 0 HE2 PHE B 43 -7.850 2.757 -0.430 1.00 1.24 H new ATOM 0 HZ PHE B 43 -7.363 5.138 -0.077 1.00 1.24 H new ATOM 1956 N LEU B 44 -1.952 -0.639 -2.722 1.00 61.33 N ATOM 1957 CA LEU B 44 -0.953 -1.717 -2.907 1.00 14.33 C ATOM 1958 C LEU B 44 -0.177 -1.541 -4.244 1.00 50.12 C ATOM 1959 O LEU B 44 1.033 -1.805 -4.308 1.00 53.30 O ATOM 1960 CB LEU B 44 -1.643 -3.119 -2.818 1.00 11.02 C ATOM 1961 CG LEU B 44 -1.950 -3.653 -1.369 1.00 71.34 C ATOM 1962 CD1 LEU B 44 -2.955 -2.760 -0.607 1.00 53.35 C ATOM 1963 CD2 LEU B 44 -2.430 -5.126 -1.396 1.00 21.34 C ATOM 0 H LEU B 44 -2.915 -0.946 -2.861 1.00 61.33 H new ATOM 0 HA LEU B 44 -0.221 -1.652 -2.102 1.00 14.33 H new ATOM 0 HB2 LEU B 44 -2.580 -3.075 -3.372 1.00 11.02 H new ATOM 0 HB3 LEU B 44 -1.007 -3.846 -3.323 1.00 11.02 H new ATOM 0 HG LEU B 44 -1.008 -3.612 -0.822 1.00 71.34 H new ATOM 0 HD11 LEU B 44 -3.130 -3.175 0.386 1.00 53.35 H new ATOM 0 HD12 LEU B 44 -2.548 -1.753 -0.513 1.00 53.35 H new ATOM 0 HD13 LEU B 44 -3.896 -2.722 -1.155 1.00 53.35 H new ATOM 0 HD21 LEU B 44 -2.633 -5.461 -0.379 1.00 21.34 H new ATOM 0 HD22 LEU B 44 -3.340 -5.201 -1.991 1.00 21.34 H new ATOM 0 HD23 LEU B 44 -1.655 -5.753 -1.837 1.00 21.34 H new ATOM 1975 N GLY B 45 -0.886 -1.074 -5.297 1.00 73.53 N ATOM 1976 CA GLY B 45 -0.249 -0.738 -6.588 1.00 53.02 C ATOM 1977 C GLY B 45 0.651 0.506 -6.494 1.00 61.44 C ATOM 1978 O GLY B 45 1.812 0.478 -6.887 1.00 74.12 O ATOM 0 H GLY B 45 -1.894 -0.922 -5.277 1.00 73.53 H new ATOM 0 HA2 GLY B 45 0.344 -1.587 -6.929 1.00 53.02 H new ATOM 0 HA3 GLY B 45 -1.022 -0.568 -7.338 1.00 53.02 H new ATOM 1982 N LEU B 46 0.089 1.584 -5.920 1.00 73.33 N ATOM 1983 CA LEU B 46 0.785 2.876 -5.675 1.00 61.33 C ATOM 1984 C LEU B 46 2.016 2.701 -4.748 1.00 44.12 C ATOM 1985 O LEU B 46 3.047 3.354 -4.930 1.00 45.44 O ATOM 1986 CB LEU B 46 -0.213 3.886 -5.034 1.00 31.25 C ATOM 1987 CG LEU B 46 0.376 5.271 -4.604 1.00 63.50 C ATOM 1988 CD1 LEU B 46 0.924 6.048 -5.816 1.00 34.12 C ATOM 1989 CD2 LEU B 46 -0.657 6.108 -3.811 1.00 72.33 C ATOM 0 H LEU B 46 -0.881 1.590 -5.604 1.00 73.33 H new ATOM 0 HA LEU B 46 1.142 3.254 -6.633 1.00 61.33 H new ATOM 0 HB2 LEU B 46 -1.021 4.064 -5.743 1.00 31.25 H new ATOM 0 HB3 LEU B 46 -0.657 3.417 -4.156 1.00 31.25 H new ATOM 0 HG LEU B 46 1.214 5.076 -3.935 1.00 63.50 H new ATOM 0 HD11 LEU B 46 1.326 7.005 -5.483 1.00 34.12 H new ATOM 0 HD12 LEU B 46 1.715 5.469 -6.292 1.00 34.12 H new ATOM 0 HD13 LEU B 46 0.120 6.221 -6.531 1.00 34.12 H new ATOM 0 HD21 LEU B 46 -0.213 7.063 -3.529 1.00 72.33 H new ATOM 0 HD22 LEU B 46 -1.535 6.286 -4.432 1.00 72.33 H new ATOM 0 HD23 LEU B 46 -0.952 5.566 -2.912 1.00 72.33 H new ATOM 2001 N GLY B 47 1.878 1.797 -3.772 1.00 4.42 N ATOM 2002 CA GLY B 47 2.950 1.484 -2.811 1.00 41.25 C ATOM 2003 C GLY B 47 4.176 0.859 -3.481 1.00 51.50 C ATOM 2004 O GLY B 47 5.316 1.045 -3.038 1.00 15.32 O ATOM 0 H GLY B 47 1.023 1.261 -3.623 1.00 4.42 H new ATOM 0 HA2 GLY B 47 3.248 2.397 -2.295 1.00 41.25 H new ATOM 0 HA3 GLY B 47 2.566 0.800 -2.054 1.00 41.25 H new ATOM 2008 N TRP B 48 3.919 0.116 -4.569 1.00 23.43 N ATOM 2009 CA TRP B 48 4.964 -0.507 -5.399 1.00 45.01 C ATOM 2010 C TRP B 48 5.668 0.550 -6.308 1.00 22.02 C ATOM 2011 O TRP B 48 6.832 0.394 -6.695 1.00 34.54 O ATOM 2012 CB TRP B 48 4.331 -1.640 -6.246 1.00 32.34 C ATOM 2013 CG TRP B 48 5.325 -2.671 -6.700 1.00 65.14 C ATOM 2014 CD1 TRP B 48 6.168 -2.606 -7.773 1.00 30.44 C ATOM 2015 CD2 TRP B 48 5.585 -3.919 -6.057 1.00 61.34 C ATOM 2016 NE1 TRP B 48 6.953 -3.721 -7.814 1.00 14.12 N ATOM 2017 CE2 TRP B 48 6.609 -4.544 -6.773 1.00 54.01 C ATOM 2018 CE3 TRP B 48 5.056 -4.558 -4.929 1.00 0.34 C ATOM 2019 CZ2 TRP B 48 7.114 -5.777 -6.415 1.00 72.33 C ATOM 2020 CZ3 TRP B 48 5.557 -5.793 -4.573 1.00 22.23 C ATOM 2021 CH2 TRP B 48 6.588 -6.387 -5.310 1.00 0.44 C ATOM 0 H TRP B 48 2.973 -0.071 -4.901 1.00 23.43 H new ATOM 0 HA TRP B 48 5.730 -0.931 -4.750 1.00 45.01 H new ATOM 0 HB2 TRP B 48 3.552 -2.129 -5.661 1.00 32.34 H new ATOM 0 HB3 TRP B 48 3.847 -1.204 -7.119 1.00 32.34 H new ATOM 0 HD1 TRP B 48 6.207 -1.793 -8.483 1.00 30.44 H new ATOM 0 HE1 TRP B 48 7.678 -3.911 -8.506 1.00 14.12 H new ATOM 0 HE3 TRP B 48 4.272 -4.094 -4.350 1.00 0.34 H new ATOM 0 HZ2 TRP B 48 7.900 -6.245 -6.989 1.00 72.33 H new ATOM 0 HZ3 TRP B 48 5.149 -6.308 -3.716 1.00 22.23 H new ATOM 0 HH2 TRP B 48 6.976 -7.346 -5.000 1.00 0.44 H new ATOM 2032 N LEU B 49 4.937 1.613 -6.663 1.00 23.11 N ATOM 2033 CA LEU B 49 5.502 2.789 -7.372 1.00 62.44 C ATOM 2034 C LEU B 49 6.424 3.607 -6.427 1.00 44.35 C ATOM 2035 O LEU B 49 7.460 4.141 -6.852 1.00 13.43 O ATOM 2036 CB LEU B 49 4.347 3.675 -7.939 1.00 2.44 C ATOM 2037 CG LEU B 49 3.700 3.232 -9.296 1.00 31.30 C ATOM 2038 CD1 LEU B 49 3.359 1.747 -9.314 1.00 54.50 C ATOM 2039 CD2 LEU B 49 2.442 4.074 -9.601 1.00 75.10 C ATOM 0 H LEU B 49 3.938 1.692 -6.472 1.00 23.11 H new ATOM 0 HA LEU B 49 6.110 2.440 -8.207 1.00 62.44 H new ATOM 0 HB2 LEU B 49 3.558 3.721 -7.188 1.00 2.44 H new ATOM 0 HB3 LEU B 49 4.729 4.688 -8.063 1.00 2.44 H new ATOM 0 HG LEU B 49 4.442 3.406 -10.075 1.00 31.30 H new ATOM 0 HD11 LEU B 49 2.913 1.488 -10.274 1.00 54.50 H new ATOM 0 HD12 LEU B 49 4.268 1.163 -9.166 1.00 54.50 H new ATOM 0 HD13 LEU B 49 2.652 1.526 -8.514 1.00 54.50 H new ATOM 0 HD21 LEU B 49 2.008 3.750 -10.547 1.00 75.10 H new ATOM 0 HD22 LEU B 49 1.712 3.940 -8.803 1.00 75.10 H new ATOM 0 HD23 LEU B 49 2.716 5.127 -9.669 1.00 75.10 H new ATOM 2051 N LEU B 50 6.024 3.684 -5.143 1.00 23.12 N ATOM 2052 CA LEU B 50 6.795 4.362 -4.080 1.00 12.53 C ATOM 2053 C LEU B 50 8.068 3.577 -3.692 1.00 2.11 C ATOM 2054 O LEU B 50 9.110 4.190 -3.414 1.00 43.01 O ATOM 2055 CB LEU B 50 5.901 4.583 -2.826 1.00 53.12 C ATOM 2056 CG LEU B 50 4.748 5.621 -2.994 1.00 33.44 C ATOM 2057 CD1 LEU B 50 3.864 5.706 -1.723 1.00 43.45 C ATOM 2058 CD2 LEU B 50 5.323 7.003 -3.383 1.00 13.20 C ATOM 0 H LEU B 50 5.151 3.275 -4.811 1.00 23.12 H new ATOM 0 HA LEU B 50 7.114 5.327 -4.475 1.00 12.53 H new ATOM 0 HB2 LEU B 50 5.465 3.626 -2.540 1.00 53.12 H new ATOM 0 HB3 LEU B 50 6.537 4.903 -2.001 1.00 53.12 H new ATOM 0 HG LEU B 50 4.101 5.282 -3.803 1.00 33.44 H new ATOM 0 HD11 LEU B 50 3.073 6.439 -1.879 1.00 43.45 H new ATOM 0 HD12 LEU B 50 3.421 4.731 -1.522 1.00 43.45 H new ATOM 0 HD13 LEU B 50 4.476 6.008 -0.873 1.00 43.45 H new ATOM 0 HD21 LEU B 50 4.508 7.717 -3.497 1.00 13.20 H new ATOM 0 HD22 LEU B 50 6.001 7.348 -2.602 1.00 13.20 H new ATOM 0 HD23 LEU B 50 5.866 6.919 -4.324 1.00 13.20 H new ATOM 2070 N ARG B 51 7.977 2.222 -3.673 1.00 52.31 N ATOM 2071 CA ARG B 51 9.116 1.353 -3.281 1.00 5.21 C ATOM 2072 C ARG B 51 10.352 1.556 -4.202 1.00 51.41 C ATOM 2073 O ARG B 51 11.496 1.523 -3.736 1.00 34.52 O ATOM 2074 CB ARG B 51 8.717 -0.163 -3.235 1.00 0.11 C ATOM 2075 CG ARG B 51 8.686 -0.926 -4.591 1.00 60.42 C ATOM 2076 CD ARG B 51 8.932 -2.436 -4.470 1.00 4.40 C ATOM 2077 NE ARG B 51 9.225 -3.015 -5.792 1.00 21.01 N ATOM 2078 CZ ARG B 51 10.109 -3.956 -6.047 1.00 55.40 C ATOM 2079 NH1 ARG B 51 10.764 -4.552 -5.100 1.00 74.43 N ATOM 2080 NH2 ARG B 51 10.313 -4.309 -7.266 1.00 12.10 N ATOM 0 H ARG B 51 7.131 1.710 -3.923 1.00 52.31 H new ATOM 0 HA ARG B 51 9.392 1.659 -2.272 1.00 5.21 H new ATOM 0 HB2 ARG B 51 9.414 -0.677 -2.573 1.00 0.11 H new ATOM 0 HB3 ARG B 51 7.729 -0.240 -2.780 1.00 0.11 H new ATOM 0 HG2 ARG B 51 7.717 -0.764 -5.064 1.00 60.42 H new ATOM 0 HG3 ARG B 51 9.439 -0.499 -5.253 1.00 60.42 H new ATOM 0 HD2 ARG B 51 9.765 -2.622 -3.792 1.00 4.40 H new ATOM 0 HD3 ARG B 51 8.056 -2.921 -4.040 1.00 4.40 H new ATOM 0 HE ARG B 51 8.693 -2.653 -6.584 1.00 21.01 H new ATOM 0 HH11 ARG B 51 10.600 -4.295 -4.127 1.00 74.43 H new ATOM 0 HH12 ARG B 51 11.443 -5.278 -5.328 1.00 74.43 H new ATOM 0 HH21 ARG B 51 9.793 -3.861 -8.020 1.00 12.10 H new ATOM 0 HH22 ARG B 51 10.995 -5.037 -7.479 1.00 12.10 H new ATOM 2094 N GLU B 52 10.094 1.794 -5.506 1.00 42.13 N ATOM 2095 CA GLU B 52 11.147 1.983 -6.533 1.00 22.12 C ATOM 2096 C GLU B 52 11.350 3.480 -6.885 1.00 51.34 C ATOM 2097 O GLU B 52 12.216 3.802 -7.708 1.00 30.51 O ATOM 2098 CB GLU B 52 10.791 1.152 -7.800 1.00 73.12 C ATOM 2099 CG GLU B 52 10.841 -0.384 -7.598 1.00 31.23 C ATOM 2100 CD GLU B 52 10.337 -1.195 -8.807 1.00 65.33 C ATOM 2101 OE1 GLU B 52 10.999 -1.175 -9.865 1.00 1.41 O ATOM 2102 OE2 GLU B 52 9.272 -1.849 -8.713 1.00 61.34 O ATOM 0 H GLU B 52 9.147 1.861 -5.879 1.00 42.13 H new ATOM 0 HA GLU B 52 12.093 1.627 -6.125 1.00 22.12 H new ATOM 0 HB2 GLU B 52 9.790 1.429 -8.131 1.00 73.12 H new ATOM 0 HB3 GLU B 52 11.479 1.423 -8.601 1.00 73.12 H new ATOM 0 HG2 GLU B 52 11.868 -0.678 -7.380 1.00 31.23 H new ATOM 0 HG3 GLU B 52 10.243 -0.644 -6.725 1.00 31.23 H new ATOM 2109 N ASP B 53 10.532 4.378 -6.264 1.00 22.21 N ATOM 2110 CA ASP B 53 10.664 5.860 -6.386 1.00 21.53 C ATOM 2111 C ASP B 53 10.413 6.346 -7.848 1.00 52.45 C ATOM 2112 O ASP B 53 10.885 7.404 -8.271 1.00 72.23 O ATOM 2113 CB ASP B 53 12.052 6.308 -5.808 1.00 2.53 C ATOM 2114 CG ASP B 53 12.308 7.831 -5.795 1.00 23.14 C ATOM 2115 OD1 ASP B 53 11.478 8.583 -5.239 1.00 45.12 O ATOM 2116 OD2 ASP B 53 13.334 8.275 -6.359 1.00 22.33 O ATOM 0 H ASP B 53 9.759 4.093 -5.662 1.00 22.21 H new ATOM 0 HA ASP B 53 9.888 6.343 -5.792 1.00 21.53 H new ATOM 0 HB2 ASP B 53 12.139 5.934 -4.788 1.00 2.53 H new ATOM 0 HB3 ASP B 53 12.840 5.830 -6.390 1.00 2.53 H new ATOM 2121 N LYS B 54 9.596 5.585 -8.612 1.00 4.33 N ATOM 2122 CA LYS B 54 9.268 5.943 -10.013 1.00 73.20 C ATOM 2123 C LYS B 54 8.124 6.991 -10.085 1.00 13.25 C ATOM 2124 O LYS B 54 7.731 7.420 -11.180 1.00 43.41 O ATOM 2125 CB LYS B 54 8.934 4.668 -10.831 1.00 54.41 C ATOM 2126 CG LYS B 54 7.689 3.875 -10.358 1.00 35.14 C ATOM 2127 CD LYS B 54 7.558 2.494 -11.060 1.00 71.20 C ATOM 2128 CE LYS B 54 8.740 1.557 -10.725 1.00 52.34 C ATOM 2129 NZ LYS B 54 8.676 0.250 -11.429 1.00 20.15 N ATOM 0 H LYS B 54 9.154 4.725 -8.286 1.00 4.33 H new ATOM 0 HA LYS B 54 10.146 6.410 -10.459 1.00 73.20 H new ATOM 0 HB2 LYS B 54 8.786 4.955 -11.872 1.00 54.41 H new ATOM 0 HB3 LYS B 54 9.798 4.004 -10.803 1.00 54.41 H new ATOM 0 HG2 LYS B 54 7.745 3.726 -9.280 1.00 35.14 H new ATOM 0 HG3 LYS B 54 6.792 4.464 -10.552 1.00 35.14 H new ATOM 0 HD2 LYS B 54 6.624 2.021 -10.757 1.00 71.20 H new ATOM 0 HD3 LYS B 54 7.506 2.640 -12.139 1.00 71.20 H new ATOM 0 HE2 LYS B 54 9.674 2.056 -10.985 1.00 52.34 H new ATOM 0 HE3 LYS B 54 8.761 1.381 -9.649 1.00 52.34 H new ATOM 0 HZ1 LYS B 54 9.514 -0.316 -11.187 1.00 20.15 H new ATOM 0 HZ2 LYS B 54 7.818 -0.260 -11.137 1.00 20.15 H new ATOM 0 HZ3 LYS B 54 8.651 0.410 -12.456 1.00 20.15 H new ATOM 2143 N VAL B 55 7.612 7.415 -8.901 1.00 62.23 N ATOM 2144 CA VAL B 55 6.580 8.481 -8.776 1.00 62.10 C ATOM 2145 C VAL B 55 6.893 9.486 -7.635 1.00 53.15 C ATOM 2146 O VAL B 55 7.720 9.220 -6.762 1.00 4.23 O ATOM 2147 CB VAL B 55 5.144 7.884 -8.525 1.00 71.42 C ATOM 2148 CG1 VAL B 55 4.673 7.025 -9.719 1.00 45.52 C ATOM 2149 CG2 VAL B 55 5.079 7.099 -7.186 1.00 22.23 C ATOM 0 H VAL B 55 7.903 7.027 -8.003 1.00 62.23 H new ATOM 0 HA VAL B 55 6.600 9.008 -9.730 1.00 62.10 H new ATOM 0 HB VAL B 55 4.451 8.721 -8.439 1.00 71.42 H new ATOM 0 HG11 VAL B 55 3.679 6.629 -9.512 1.00 45.52 H new ATOM 0 HG12 VAL B 55 4.639 7.640 -10.618 1.00 45.52 H new ATOM 0 HG13 VAL B 55 5.368 6.199 -9.870 1.00 45.52 H new ATOM 0 HG21 VAL B 55 4.074 6.701 -7.046 1.00 22.23 H new ATOM 0 HG22 VAL B 55 5.794 6.277 -7.211 1.00 22.23 H new ATOM 0 HG23 VAL B 55 5.323 7.767 -6.360 1.00 22.23 H new ATOM 2159 N VAL B 56 6.203 10.647 -7.680 1.00 63.31 N ATOM 2160 CA VAL B 56 6.148 11.646 -6.583 1.00 64.13 C ATOM 2161 C VAL B 56 4.700 11.786 -6.036 1.00 73.54 C ATOM 2162 O VAL B 56 3.742 11.834 -6.810 1.00 62.53 O ATOM 2163 CB VAL B 56 6.694 13.061 -7.046 1.00 43.20 C ATOM 2164 CG1 VAL B 56 8.221 13.018 -7.278 1.00 4.35 C ATOM 2165 CG2 VAL B 56 5.958 13.573 -8.321 1.00 51.22 C ATOM 0 H VAL B 56 5.657 10.924 -8.496 1.00 63.31 H new ATOM 0 HA VAL B 56 6.795 11.282 -5.785 1.00 64.13 H new ATOM 0 HB VAL B 56 6.489 13.766 -6.240 1.00 43.20 H new ATOM 0 HG11 VAL B 56 8.569 14.001 -7.595 1.00 4.35 H new ATOM 0 HG12 VAL B 56 8.722 12.737 -6.352 1.00 4.35 H new ATOM 0 HG13 VAL B 56 8.451 12.285 -8.052 1.00 4.35 H new ATOM 0 HG21 VAL B 56 6.360 14.545 -8.607 1.00 51.22 H new ATOM 0 HG22 VAL B 56 6.106 12.865 -9.136 1.00 51.22 H new ATOM 0 HG23 VAL B 56 4.892 13.668 -8.112 1.00 51.22 H new ATOM 2175 N THR B 57 4.549 11.832 -4.696 1.00 74.43 N ATOM 2176 CA THR B 57 3.225 11.975 -4.024 1.00 14.03 C ATOM 2177 C THR B 57 2.980 13.403 -3.483 1.00 10.04 C ATOM 2178 O THR B 57 3.906 14.101 -3.060 1.00 70.12 O ATOM 2179 CB THR B 57 3.055 10.961 -2.837 1.00 4.11 C ATOM 2180 OG1 THR B 57 4.236 10.967 -2.008 1.00 43.53 O ATOM 2181 CG2 THR B 57 2.748 9.536 -3.332 1.00 53.44 C ATOM 0 H THR B 57 5.332 11.772 -4.046 1.00 74.43 H new ATOM 0 HA THR B 57 2.490 11.760 -4.800 1.00 14.03 H new ATOM 0 HB THR B 57 2.199 11.286 -2.245 1.00 4.11 H new ATOM 0 HG1 THR B 57 4.613 11.871 -1.982 1.00 43.53 H new ATOM 0 HG21 THR B 57 2.639 8.869 -2.477 1.00 53.44 H new ATOM 0 HG22 THR B 57 1.823 9.542 -3.908 1.00 53.44 H new ATOM 0 HG23 THR B 57 3.565 9.186 -3.963 1.00 53.44 H new ATOM 2189 N SER B 58 1.698 13.790 -3.495 1.00 33.31 N ATOM 2190 CA SER B 58 1.178 15.079 -2.981 1.00 52.51 C ATOM 2191 C SER B 58 -0.263 14.876 -2.454 1.00 4.03 C ATOM 2192 O SER B 58 -0.852 13.803 -2.628 1.00 72.03 O ATOM 2193 CB SER B 58 1.180 16.167 -4.097 1.00 10.34 C ATOM 2194 OG SER B 58 2.493 16.465 -4.559 1.00 52.43 O ATOM 0 H SER B 58 0.961 13.197 -3.876 1.00 33.31 H new ATOM 0 HA SER B 58 1.826 15.418 -2.173 1.00 52.51 H new ATOM 0 HB2 SER B 58 0.571 15.826 -4.934 1.00 10.34 H new ATOM 0 HB3 SER B 58 0.716 17.077 -3.715 1.00 10.34 H new ATOM 0 HG SER B 58 2.446 17.150 -5.258 1.00 52.43 H new ATOM 2200 N GLU B 59 -0.824 15.896 -1.789 1.00 73.33 N ATOM 2201 CA GLU B 59 -2.245 15.891 -1.367 1.00 14.41 C ATOM 2202 C GLU B 59 -2.974 17.116 -1.959 1.00 72.52 C ATOM 2203 O GLU B 59 -2.545 18.253 -1.761 1.00 61.35 O ATOM 2204 CB GLU B 59 -2.365 15.892 0.184 1.00 51.33 C ATOM 2205 CG GLU B 59 -3.811 15.719 0.705 1.00 34.23 C ATOM 2206 CD GLU B 59 -3.946 15.934 2.224 1.00 22.40 C ATOM 2207 OE1 GLU B 59 -3.483 15.074 3.002 1.00 71.21 O ATOM 2208 OE2 GLU B 59 -4.504 16.976 2.642 1.00 1.42 O ATOM 0 H GLU B 59 -0.318 16.742 -1.528 1.00 73.33 H new ATOM 0 HA GLU B 59 -2.712 14.980 -1.742 1.00 14.41 H new ATOM 0 HB2 GLU B 59 -1.747 15.089 0.586 1.00 51.33 H new ATOM 0 HB3 GLU B 59 -1.961 16.829 0.568 1.00 51.33 H new ATOM 0 HG2 GLU B 59 -4.462 16.423 0.187 1.00 34.23 H new ATOM 0 HG3 GLU B 59 -4.162 14.718 0.455 1.00 34.23 H new ATOM 2215 N VAL B 60 -4.066 16.865 -2.702 1.00 62.32 N ATOM 2216 CA VAL B 60 -4.963 17.919 -3.215 1.00 51.33 C ATOM 2217 C VAL B 60 -6.318 17.844 -2.473 1.00 34.02 C ATOM 2218 O VAL B 60 -7.101 16.909 -2.680 1.00 22.33 O ATOM 2219 CB VAL B 60 -5.165 17.787 -4.777 1.00 54.41 C ATOM 2220 CG1 VAL B 60 -6.268 18.745 -5.311 1.00 14.31 C ATOM 2221 CG2 VAL B 60 -3.828 18.039 -5.513 1.00 1.13 C ATOM 0 H VAL B 60 -4.354 15.922 -2.965 1.00 62.32 H new ATOM 0 HA VAL B 60 -4.507 18.892 -3.030 1.00 51.33 H new ATOM 0 HB VAL B 60 -5.499 16.769 -4.977 1.00 54.41 H new ATOM 0 HG11 VAL B 60 -6.370 18.618 -6.389 1.00 14.31 H new ATOM 0 HG12 VAL B 60 -7.217 18.513 -4.827 1.00 14.31 H new ATOM 0 HG13 VAL B 60 -5.991 19.776 -5.092 1.00 14.31 H new ATOM 0 HG21 VAL B 60 -3.981 17.945 -6.588 1.00 1.13 H new ATOM 0 HG22 VAL B 60 -3.470 19.043 -5.284 1.00 1.13 H new ATOM 0 HG23 VAL B 60 -3.089 17.307 -5.186 1.00 1.13 H new ATOM 2231 N GLU B 61 -6.553 18.843 -1.592 1.00 34.50 N ATOM 2232 CA GLU B 61 -7.843 19.074 -0.889 1.00 12.31 C ATOM 2233 C GLU B 61 -8.317 17.850 -0.044 1.00 22.11 C ATOM 2234 O GLU B 61 -9.524 17.602 0.082 1.00 51.31 O ATOM 2235 CB GLU B 61 -8.934 19.515 -1.917 1.00 4.13 C ATOM 2236 CG GLU B 61 -8.493 20.655 -2.861 1.00 24.11 C ATOM 2237 CD GLU B 61 -9.620 21.152 -3.778 1.00 13.22 C ATOM 2238 OE1 GLU B 61 -9.815 20.576 -4.870 1.00 30.05 O ATOM 2239 OE2 GLU B 61 -10.315 22.121 -3.411 1.00 41.20 O ATOM 0 H GLU B 61 -5.839 19.527 -1.342 1.00 34.50 H new ATOM 0 HA GLU B 61 -7.679 19.876 -0.170 1.00 12.31 H new ATOM 0 HB2 GLU B 61 -9.221 18.652 -2.518 1.00 4.13 H new ATOM 0 HB3 GLU B 61 -9.823 19.833 -1.372 1.00 4.13 H new ATOM 0 HG2 GLU B 61 -8.124 21.489 -2.265 1.00 24.11 H new ATOM 0 HG3 GLU B 61 -7.661 20.309 -3.474 1.00 24.11 H new ATOM 2246 N GLY B 62 -7.360 17.124 0.577 1.00 13.12 N ATOM 2247 CA GLY B 62 -7.678 15.915 1.370 1.00 64.35 C ATOM 2248 C GLY B 62 -7.791 14.622 0.547 1.00 41.11 C ATOM 2249 O GLY B 62 -8.190 13.578 1.076 1.00 44.34 O ATOM 0 H GLY B 62 -6.366 17.353 0.545 1.00 13.12 H new ATOM 0 HA2 GLY B 62 -6.907 15.781 2.129 1.00 64.35 H new ATOM 0 HA3 GLY B 62 -8.618 16.079 1.896 1.00 64.35 H new ATOM 2253 N GLU B 63 -7.435 14.690 -0.747 1.00 4.32 N ATOM 2254 CA GLU B 63 -7.445 13.524 -1.666 1.00 72.00 C ATOM 2255 C GLU B 63 -6.011 13.242 -2.181 1.00 3.04 C ATOM 2256 O GLU B 63 -5.216 14.172 -2.352 1.00 54.05 O ATOM 2257 CB GLU B 63 -8.417 13.793 -2.850 1.00 0.45 C ATOM 2258 CG GLU B 63 -8.653 12.571 -3.766 1.00 71.03 C ATOM 2259 CD GLU B 63 -9.703 12.782 -4.874 1.00 5.51 C ATOM 2260 OE1 GLU B 63 -10.747 13.423 -4.617 1.00 24.30 O ATOM 2261 OE2 GLU B 63 -9.508 12.272 -5.999 1.00 14.31 O ATOM 0 H GLU B 63 -7.130 15.555 -1.193 1.00 4.32 H new ATOM 0 HA GLU B 63 -7.794 12.643 -1.127 1.00 72.00 H new ATOM 0 HB2 GLU B 63 -9.376 14.124 -2.450 1.00 0.45 H new ATOM 0 HB3 GLU B 63 -8.022 14.612 -3.451 1.00 0.45 H new ATOM 0 HG2 GLU B 63 -7.706 12.296 -4.231 1.00 71.03 H new ATOM 0 HG3 GLU B 63 -8.962 11.727 -3.149 1.00 71.03 H new ATOM 2268 N ILE B 64 -5.688 11.952 -2.427 1.00 14.34 N ATOM 2269 CA ILE B 64 -4.344 11.540 -2.890 1.00 51.04 C ATOM 2270 C ILE B 64 -4.108 11.979 -4.349 1.00 32.31 C ATOM 2271 O ILE B 64 -4.871 11.617 -5.242 1.00 20.41 O ATOM 2272 CB ILE B 64 -4.130 9.980 -2.773 1.00 52.41 C ATOM 2273 CG1 ILE B 64 -4.270 9.524 -1.290 1.00 44.35 C ATOM 2274 CG2 ILE B 64 -2.759 9.532 -3.368 1.00 15.41 C ATOM 2275 CD1 ILE B 64 -4.072 8.037 -1.068 1.00 51.13 C ATOM 0 H ILE B 64 -6.342 11.177 -2.312 1.00 14.34 H new ATOM 0 HA ILE B 64 -3.623 12.034 -2.239 1.00 51.04 H new ATOM 0 HB ILE B 64 -4.907 9.495 -3.364 1.00 52.41 H new ATOM 0 HG12 ILE B 64 -3.544 10.069 -0.686 1.00 44.35 H new ATOM 0 HG13 ILE B 64 -5.260 9.804 -0.929 1.00 44.35 H new ATOM 0 HG21 ILE B 64 -2.654 8.452 -3.266 1.00 15.41 H new ATOM 0 HG22 ILE B 64 -2.714 9.803 -4.423 1.00 15.41 H new ATOM 0 HG23 ILE B 64 -1.950 10.027 -2.831 1.00 15.41 H new ATOM 0 HD11 ILE B 64 -4.187 7.809 -0.008 1.00 51.13 H new ATOM 0 HD12 ILE B 64 -4.814 7.482 -1.641 1.00 51.13 H new ATOM 0 HD13 ILE B 64 -3.072 7.750 -1.394 1.00 51.13 H new ATOM 2287 N PHE B 65 -3.046 12.768 -4.563 1.00 54.31 N ATOM 2288 CA PHE B 65 -2.543 13.117 -5.905 1.00 20.11 C ATOM 2289 C PHE B 65 -1.146 12.498 -6.084 1.00 40.25 C ATOM 2290 O PHE B 65 -0.308 12.578 -5.187 1.00 30.54 O ATOM 2291 CB PHE B 65 -2.476 14.656 -6.083 1.00 53.50 C ATOM 2292 CG PHE B 65 -1.998 15.104 -7.469 1.00 51.41 C ATOM 2293 CD1 PHE B 65 -2.872 15.117 -8.554 1.00 51.53 C ATOM 2294 CD2 PHE B 65 -0.669 15.491 -7.692 1.00 10.34 C ATOM 2295 CE1 PHE B 65 -2.442 15.504 -9.809 1.00 0.10 C ATOM 2296 CE2 PHE B 65 -0.242 15.874 -8.951 1.00 0.52 C ATOM 2297 CZ PHE B 65 -1.129 15.881 -10.009 1.00 40.20 C ATOM 0 H PHE B 65 -2.506 13.187 -3.806 1.00 54.31 H new ATOM 0 HA PHE B 65 -3.223 12.723 -6.661 1.00 20.11 H new ATOM 0 HB2 PHE B 65 -3.465 15.076 -5.898 1.00 53.50 H new ATOM 0 HB3 PHE B 65 -1.807 15.070 -5.328 1.00 53.50 H new ATOM 0 HD1 PHE B 65 -3.901 14.820 -8.412 1.00 51.53 H new ATOM 0 HD2 PHE B 65 0.031 15.490 -6.870 1.00 10.34 H new ATOM 0 HE1 PHE B 65 -3.136 15.512 -10.637 1.00 0.10 H new ATOM 0 HE2 PHE B 65 0.786 16.168 -9.106 1.00 0.52 H new ATOM 0 HZ PHE B 65 -0.796 16.181 -10.992 1.00 40.20 H new ATOM 2307 N VAL B 66 -0.904 11.871 -7.230 1.00 23.11 N ATOM 2308 CA VAL B 66 0.411 11.294 -7.564 1.00 54.34 C ATOM 2309 C VAL B 66 0.764 11.560 -9.041 1.00 61.14 C ATOM 2310 O VAL B 66 -0.117 11.673 -9.895 1.00 2.24 O ATOM 2311 CB VAL B 66 0.451 9.760 -7.201 1.00 31.34 C ATOM 2312 CG1 VAL B 66 -0.683 8.974 -7.899 1.00 34.22 C ATOM 2313 CG2 VAL B 66 1.838 9.138 -7.487 1.00 2.20 C ATOM 0 H VAL B 66 -1.607 11.744 -7.958 1.00 23.11 H new ATOM 0 HA VAL B 66 1.176 11.785 -6.962 1.00 54.34 H new ATOM 0 HB VAL B 66 0.280 9.683 -6.127 1.00 31.34 H new ATOM 0 HG11 VAL B 66 -0.620 7.922 -7.623 1.00 34.22 H new ATOM 0 HG12 VAL B 66 -1.648 9.374 -7.587 1.00 34.22 H new ATOM 0 HG13 VAL B 66 -0.582 9.072 -8.980 1.00 34.22 H new ATOM 0 HG21 VAL B 66 1.824 8.080 -7.224 1.00 2.20 H new ATOM 0 HG22 VAL B 66 2.073 9.245 -8.546 1.00 2.20 H new ATOM 0 HG23 VAL B 66 2.596 9.650 -6.893 1.00 2.20 H new ATOM 2323 N LYS B 67 2.065 11.691 -9.314 1.00 34.11 N ATOM 2324 CA LYS B 67 2.601 11.975 -10.653 1.00 4.35 C ATOM 2325 C LYS B 67 3.856 11.102 -10.885 1.00 15.50 C ATOM 2326 O LYS B 67 4.443 10.638 -9.924 1.00 54.51 O ATOM 2327 CB LYS B 67 2.948 13.490 -10.733 1.00 72.51 C ATOM 2328 CG LYS B 67 3.606 13.924 -12.053 1.00 10.05 C ATOM 2329 CD LYS B 67 4.152 15.368 -12.024 1.00 32.15 C ATOM 2330 CE LYS B 67 4.957 15.703 -13.290 1.00 64.51 C ATOM 2331 NZ LYS B 67 5.539 17.066 -13.232 1.00 72.35 N ATOM 0 H LYS B 67 2.789 11.602 -8.601 1.00 34.11 H new ATOM 0 HA LYS B 67 1.870 11.740 -11.427 1.00 4.35 H new ATOM 0 HB2 LYS B 67 2.034 14.067 -10.590 1.00 72.51 H new ATOM 0 HB3 LYS B 67 3.616 13.741 -9.909 1.00 72.51 H new ATOM 0 HG2 LYS B 67 4.422 13.240 -12.285 1.00 10.05 H new ATOM 0 HG3 LYS B 67 2.878 13.836 -12.859 1.00 10.05 H new ATOM 0 HD2 LYS B 67 3.322 16.068 -11.926 1.00 32.15 H new ATOM 0 HD3 LYS B 67 4.785 15.499 -11.146 1.00 32.15 H new ATOM 0 HE2 LYS B 67 5.756 14.972 -13.416 1.00 64.51 H new ATOM 0 HE3 LYS B 67 4.310 15.622 -14.163 1.00 64.51 H new ATOM 0 HZ1 LYS B 67 5.326 17.572 -14.115 1.00 72.35 H new ATOM 0 HZ2 LYS B 67 5.130 17.584 -12.429 1.00 72.35 H new ATOM 0 HZ3 LYS B 67 6.570 16.998 -13.112 1.00 72.35 H new ATOM 2345 N LEU B 68 4.260 10.858 -12.146 1.00 5.22 N ATOM 2346 CA LEU B 68 5.571 10.220 -12.444 1.00 52.34 C ATOM 2347 C LEU B 68 6.748 11.158 -12.048 1.00 31.35 C ATOM 2348 O LEU B 68 6.664 12.377 -12.222 1.00 73.31 O ATOM 2349 CB LEU B 68 5.663 9.835 -13.943 1.00 42.54 C ATOM 2350 CG LEU B 68 4.620 8.784 -14.441 1.00 51.40 C ATOM 2351 CD1 LEU B 68 4.848 8.421 -15.924 1.00 1.13 C ATOM 2352 CD2 LEU B 68 4.621 7.522 -13.548 1.00 23.43 C ATOM 0 H LEU B 68 3.708 11.088 -12.973 1.00 5.22 H new ATOM 0 HA LEU B 68 5.647 9.310 -11.849 1.00 52.34 H new ATOM 0 HB2 LEU B 68 5.550 10.741 -14.539 1.00 42.54 H new ATOM 0 HB3 LEU B 68 6.663 9.447 -14.138 1.00 42.54 H new ATOM 0 HG LEU B 68 3.634 9.242 -14.363 1.00 51.40 H new ATOM 0 HD11 LEU B 68 4.105 7.688 -16.237 1.00 1.13 H new ATOM 0 HD12 LEU B 68 4.754 9.318 -16.537 1.00 1.13 H new ATOM 0 HD13 LEU B 68 5.846 8.001 -16.046 1.00 1.13 H new ATOM 0 HD21 LEU B 68 3.884 6.811 -13.922 1.00 23.43 H new ATOM 0 HD22 LEU B 68 5.610 7.064 -13.567 1.00 23.43 H new ATOM 0 HD23 LEU B 68 4.370 7.800 -12.525 1.00 23.43 H new ATOM 2364 N VAL B 69 7.857 10.566 -11.555 1.00 63.11 N ATOM 2365 CA VAL B 69 9.036 11.319 -11.025 1.00 74.43 C ATOM 2366 C VAL B 69 9.908 11.968 -12.158 1.00 64.45 C ATOM 2367 O VAL B 69 10.918 12.625 -11.880 1.00 75.23 O ATOM 2368 CB VAL B 69 9.919 10.345 -10.135 1.00 42.43 C ATOM 2369 CG1 VAL B 69 10.730 9.336 -10.997 1.00 13.34 C ATOM 2370 CG2 VAL B 69 10.838 11.112 -9.148 1.00 1.24 C ATOM 0 H VAL B 69 7.969 9.553 -11.509 1.00 63.11 H new ATOM 0 HA VAL B 69 8.657 12.143 -10.421 1.00 74.43 H new ATOM 0 HB VAL B 69 9.218 9.767 -9.533 1.00 42.43 H new ATOM 0 HG11 VAL B 69 11.319 8.691 -10.345 1.00 13.34 H new ATOM 0 HG12 VAL B 69 10.044 8.727 -11.586 1.00 13.34 H new ATOM 0 HG13 VAL B 69 11.397 9.882 -11.665 1.00 13.34 H new ATOM 0 HG21 VAL B 69 11.420 10.399 -8.564 1.00 1.24 H new ATOM 0 HG22 VAL B 69 11.513 11.759 -9.708 1.00 1.24 H new ATOM 0 HG23 VAL B 69 10.227 11.717 -8.478 1.00 1.24 H new ATOM 2380 N LEU B 70 9.469 11.802 -13.426 1.00 51.40 N ATOM 2381 CA LEU B 70 10.236 12.169 -14.643 1.00 15.35 C ATOM 2382 C LEU B 70 10.710 13.655 -14.656 1.00 33.13 C ATOM 2383 O LEU B 70 11.906 13.924 -14.797 1.00 65.54 O ATOM 2384 CB LEU B 70 9.367 11.867 -15.901 1.00 75.02 C ATOM 2385 CG LEU B 70 8.886 10.386 -16.071 1.00 40.02 C ATOM 2386 CD1 LEU B 70 8.022 10.220 -17.343 1.00 44.12 C ATOM 2387 CD2 LEU B 70 10.080 9.399 -16.061 1.00 53.14 C ATOM 0 H LEU B 70 8.555 11.402 -13.639 1.00 51.40 H new ATOM 0 HA LEU B 70 11.144 11.566 -14.648 1.00 15.35 H new ATOM 0 HB2 LEU B 70 8.488 12.511 -15.873 1.00 75.02 H new ATOM 0 HB3 LEU B 70 9.938 12.145 -16.787 1.00 75.02 H new ATOM 0 HG LEU B 70 8.257 10.143 -15.214 1.00 40.02 H new ATOM 0 HD11 LEU B 70 7.703 9.182 -17.433 1.00 44.12 H new ATOM 0 HD12 LEU B 70 7.145 10.864 -17.274 1.00 44.12 H new ATOM 0 HD13 LEU B 70 8.608 10.497 -18.219 1.00 44.12 H new ATOM 0 HD21 LEU B 70 9.711 8.380 -16.181 1.00 53.14 H new ATOM 0 HD22 LEU B 70 10.757 9.639 -16.881 1.00 53.14 H new ATOM 0 HD23 LEU B 70 10.613 9.483 -15.114 1.00 53.14 H new ATOM 2399 N GLU B 71 9.765 14.605 -14.478 1.00 75.23 N ATOM 2400 CA GLU B 71 10.067 16.065 -14.539 1.00 71.31 C ATOM 2401 C GLU B 71 9.118 16.889 -13.617 1.00 41.41 C ATOM 2402 O GLU B 71 8.323 16.321 -12.853 1.00 42.02 O ATOM 2403 CB GLU B 71 10.029 16.536 -16.036 1.00 53.21 C ATOM 2404 CG GLU B 71 8.654 16.426 -16.764 1.00 72.41 C ATOM 2405 CD GLU B 71 7.703 17.600 -16.471 1.00 3.13 C ATOM 2406 OE1 GLU B 71 8.119 18.757 -16.683 1.00 63.13 O ATOM 2407 OE2 GLU B 71 6.574 17.389 -15.963 1.00 64.15 O ATOM 0 H GLU B 71 8.785 14.393 -14.291 1.00 75.23 H new ATOM 0 HA GLU B 71 11.070 16.245 -14.153 1.00 71.31 H new ATOM 0 HB2 GLU B 71 10.354 17.576 -16.075 1.00 53.21 H new ATOM 0 HB3 GLU B 71 10.760 15.952 -16.596 1.00 53.21 H new ATOM 0 HG2 GLU B 71 8.826 16.369 -17.839 1.00 72.41 H new ATOM 0 HG3 GLU B 71 8.170 15.495 -16.468 1.00 72.41 H new ATOM 2414 N HIS B 72 9.185 18.248 -13.706 1.00 12.42 N ATOM 2415 CA HIS B 72 8.420 19.160 -12.811 1.00 4.54 C ATOM 2416 C HIS B 72 7.747 20.359 -13.561 1.00 74.40 C ATOM 2417 O HIS B 72 8.232 21.496 -13.524 1.00 75.11 O ATOM 2418 CB HIS B 72 9.334 19.644 -11.639 1.00 51.30 C ATOM 2419 CG HIS B 72 10.674 20.206 -12.066 1.00 44.31 C ATOM 2420 ND1 HIS B 72 10.833 21.474 -12.586 1.00 41.45 N ATOM 2421 CD2 HIS B 72 11.916 19.659 -12.061 1.00 25.00 C ATOM 2422 CE1 HIS B 72 12.096 21.680 -12.879 1.00 21.21 C ATOM 2423 NE2 HIS B 72 12.778 20.600 -12.573 1.00 11.34 N ATOM 0 H HIS B 72 9.763 18.735 -14.391 1.00 12.42 H new ATOM 0 HA HIS B 72 7.590 18.585 -12.401 1.00 4.54 H new ATOM 0 HB2 HIS B 72 8.800 20.407 -11.073 1.00 51.30 H new ATOM 0 HB3 HIS B 72 9.506 18.807 -10.962 1.00 51.30 H new ATOM 0 HD1 HIS B 72 10.082 22.150 -12.722 1.00 41.45 H new ATOM 0 HD2 HIS B 72 12.178 18.669 -11.719 1.00 25.00 H new ATOM 0 HE1 HIS B 72 12.506 22.586 -13.301 1.00 21.21 H new ATOM 2432 N HIS B 73 6.625 20.089 -14.266 1.00 42.34 N ATOM 2433 CA HIS B 73 5.688 21.158 -14.717 1.00 70.41 C ATOM 2434 C HIS B 73 4.834 21.662 -13.517 1.00 13.43 C ATOM 2435 O HIS B 73 3.668 21.274 -13.357 1.00 74.12 O ATOM 2436 CB HIS B 73 4.769 20.664 -15.880 1.00 41.21 C ATOM 2437 CG HIS B 73 5.455 20.529 -17.220 1.00 74.53 C ATOM 2438 ND1 HIS B 73 5.345 19.408 -18.017 1.00 62.41 N ATOM 2439 CD2 HIS B 73 6.225 21.402 -17.917 1.00 75.33 C ATOM 2440 CE1 HIS B 73 6.008 19.594 -19.140 1.00 54.23 C ATOM 2441 NE2 HIS B 73 6.550 20.793 -19.104 1.00 41.14 N ATOM 0 H HIS B 73 6.342 19.147 -14.537 1.00 42.34 H new ATOM 0 HA HIS B 73 6.282 21.987 -15.101 1.00 70.41 H new ATOM 0 HB2 HIS B 73 4.348 19.697 -15.605 1.00 41.21 H new ATOM 0 HB3 HIS B 73 3.934 21.357 -15.984 1.00 41.21 H new ATOM 0 HD2 HIS B 73 6.525 22.389 -17.598 1.00 75.33 H new ATOM 0 HE1 HIS B 73 6.092 18.885 -19.950 1.00 54.23 H new ATOM 0 HE2 HIS B 73 7.121 21.205 -19.842 1.00 41.14 H new ATOM 2450 N HIS B 74 5.453 22.492 -12.648 1.00 21.23 N ATOM 2451 CA HIS B 74 4.783 23.054 -11.454 1.00 71.22 C ATOM 2452 C HIS B 74 4.073 24.386 -11.804 1.00 23.21 C ATOM 2453 O HIS B 74 4.680 25.463 -11.779 1.00 51.11 O ATOM 2454 CB HIS B 74 5.787 23.242 -10.275 1.00 11.33 C ATOM 2455 CG HIS B 74 5.150 23.775 -9.008 1.00 54.00 C ATOM 2456 ND1 HIS B 74 5.228 25.099 -8.627 1.00 24.44 N ATOM 2457 CD2 HIS B 74 4.405 23.161 -8.052 1.00 2.14 C ATOM 2458 CE1 HIS B 74 4.566 25.276 -7.501 1.00 32.42 C ATOM 2459 NE2 HIS B 74 4.054 24.121 -7.131 1.00 33.14 N ATOM 0 H HIS B 74 6.423 22.789 -12.753 1.00 21.23 H new ATOM 0 HA HIS B 74 4.026 22.342 -11.126 1.00 71.22 H new ATOM 0 HB2 HIS B 74 6.261 22.285 -10.057 1.00 11.33 H new ATOM 0 HB3 HIS B 74 6.577 23.925 -10.588 1.00 11.33 H new ATOM 0 HD2 HIS B 74 4.138 22.115 -8.021 1.00 2.14 H new ATOM 0 HE1 HIS B 74 4.461 26.211 -6.971 1.00 32.42 H new ATOM 0 HE2 HIS B 74 3.489 23.963 -6.297 1.00 33.14 H new ATOM 2468 N HIS B 75 2.797 24.271 -12.188 1.00 62.45 N ATOM 2469 CA HIS B 75 1.884 25.418 -12.386 1.00 50.30 C ATOM 2470 C HIS B 75 0.823 25.425 -11.262 1.00 33.00 C ATOM 2471 O HIS B 75 0.262 24.367 -10.945 1.00 22.23 O ATOM 2472 CB HIS B 75 1.237 25.362 -13.796 1.00 63.21 C ATOM 2473 CG HIS B 75 0.779 23.989 -14.227 1.00 21.44 C ATOM 2474 ND1 HIS B 75 1.540 23.171 -15.036 1.00 13.12 N ATOM 2475 CD2 HIS B 75 -0.348 23.289 -13.951 1.00 72.31 C ATOM 2476 CE1 HIS B 75 0.906 22.034 -15.236 1.00 13.23 C ATOM 2477 NE2 HIS B 75 -0.236 22.079 -14.591 1.00 73.11 N ATOM 0 H HIS B 75 2.357 23.370 -12.374 1.00 62.45 H new ATOM 0 HA HIS B 75 2.446 26.351 -12.331 1.00 50.30 H new ATOM 0 HB2 HIS B 75 0.382 26.038 -13.815 1.00 63.21 H new ATOM 0 HB3 HIS B 75 1.955 25.736 -14.525 1.00 63.21 H new ATOM 0 HD2 HIS B 75 -1.177 23.620 -13.343 1.00 72.31 H new ATOM 0 HE1 HIS B 75 1.265 21.206 -15.829 1.00 13.23 H new ATOM 0 HE2 HIS B 75 -0.931 21.333 -14.569 1.00 73.11 H new ATOM 2486 N HIS B 76 0.581 26.617 -10.660 1.00 22.40 N ATOM 2487 CA HIS B 76 -0.302 26.788 -9.470 1.00 72.14 C ATOM 2488 C HIS B 76 0.278 26.035 -8.227 1.00 34.31 C ATOM 2489 O HIS B 76 1.478 25.737 -8.192 1.00 64.34 O ATOM 2490 CB HIS B 76 -1.771 26.366 -9.787 1.00 50.42 C ATOM 2491 CG HIS B 76 -2.448 27.218 -10.831 1.00 74.34 C ATOM 2492 ND1 HIS B 76 -3.383 28.185 -10.521 1.00 63.21 N ATOM 2493 CD2 HIS B 76 -2.330 27.243 -12.180 1.00 24.22 C ATOM 2494 CE1 HIS B 76 -3.804 28.759 -11.623 1.00 33.32 C ATOM 2495 NE2 HIS B 76 -3.186 28.210 -12.643 1.00 21.32 N ATOM 0 H HIS B 76 0.993 27.492 -10.985 1.00 22.40 H new ATOM 0 HA HIS B 76 -0.328 27.848 -9.217 1.00 72.14 H new ATOM 0 HB2 HIS B 76 -1.775 25.329 -10.122 1.00 50.42 H new ATOM 0 HB3 HIS B 76 -2.355 26.406 -8.867 1.00 50.42 H new ATOM 0 HD2 HIS B 76 -1.683 26.619 -12.779 1.00 24.22 H new ATOM 0 HE1 HIS B 76 -4.536 29.551 -11.681 1.00 33.32 H new ATOM 0 HE2 HIS B 76 -3.321 28.462 -13.622 1.00 21.32 H new ATOM 2504 N HIS B 77 -0.565 25.762 -7.202 1.00 15.52 N ATOM 2505 CA HIS B 77 -0.134 25.059 -5.966 1.00 1.44 C ATOM 2506 C HIS B 77 0.284 23.598 -6.279 1.00 4.43 C ATOM 2507 O HIS B 77 1.392 23.157 -5.945 1.00 3.33 O ATOM 2508 CB HIS B 77 -1.278 25.100 -4.908 1.00 33.40 C ATOM 2509 CG HIS B 77 -0.892 24.620 -3.521 1.00 32.23 C ATOM 2510 ND1 HIS B 77 -0.670 25.481 -2.466 1.00 62.40 N ATOM 2511 CD2 HIS B 77 -0.699 23.372 -3.018 1.00 13.22 C ATOM 2512 CE1 HIS B 77 -0.358 24.794 -1.386 1.00 61.25 C ATOM 2513 NE2 HIS B 77 -0.365 23.516 -1.695 1.00 42.10 N ATOM 0 H HIS B 77 -1.552 26.019 -7.206 1.00 15.52 H new ATOM 0 HA HIS B 77 0.737 25.570 -5.556 1.00 1.44 H new ATOM 0 HB2 HIS B 77 -1.644 26.124 -4.832 1.00 33.40 H new ATOM 0 HB3 HIS B 77 -2.107 24.491 -5.268 1.00 33.40 H new ATOM 0 HD2 HIS B 77 -0.791 22.442 -3.558 1.00 13.22 H new ATOM 0 HE1 HIS B 77 -0.135 25.209 -0.414 1.00 61.25 H new ATOM 0 HE2 HIS B 77 -0.155 22.752 -1.052 1.00 42.10 H new TER 2522 HIS B 77