USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 733 hydrogens (12 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 97 THR OG1 : rot 79:sc= 0.473 USER MOD Set 2.1: A 71 THR OG1 : rot 180:sc= 0.474 USER MOD Set 2.2: A 74 GLN : amide:sc= 0.488 K(o=0.96,f=0.16) USER MOD Set 3.1: A 14 LYS NZ :NH3+ 178:sc= 2.08 (180deg=0.754) USER MOD Set 3.2: A 82 THR OG1 : rot -62:sc= 2.07 USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0821 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 168:sc= -0.0378 (180deg=-0.241) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 17 ASN : amide:sc= -0.0229 K(o=-0.023,f=-0.63) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.185 K(o=-0.19,f=-1!) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.0956 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=-0.025) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 HIS :FLIP no HD1:sc= -0.858 F(o=-1.4,f=-0.86) USER MOD Single : A 63 ASN : amide:sc= -0.176 K(o=-0.18,f=-1.1) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.0743 X(o=-0.074,f=-0.074) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0929) USER MOD Single : A 78 THR OG1 : rot 71:sc= 1.27 USER MOD Single : A 81 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.33) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.199! C(o=-0.2!,f=-5.9!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= 1.88 K(o=1.9,f=-12!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 101 33B O62 : rot -127:sc= 0.326 USER MOD Single : A 101 33B O72 : rot 180:sc= 0.437 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -13.977 0.053 -14.016 1.00 14.10 N ATOM 2 CA GLY A 1 -13.104 -0.476 -12.976 1.00 62.34 C ATOM 3 C GLY A 1 -12.458 -1.734 -13.463 1.00 44.22 C ATOM 4 O GLY A 1 -13.000 -2.453 -14.318 1.00 75.44 O ATOM 0 H1 GLY A 1 -13.601 0.961 -14.356 1.00 14.10 H new ATOM 0 H2 GLY A 1 -14.022 -0.621 -14.807 1.00 14.10 H new ATOM 0 H3 GLY A 1 -14.931 0.196 -13.628 1.00 14.10 H new ATOM 0 HA2 GLY A 1 -12.343 0.260 -12.716 1.00 62.34 H new ATOM 0 HA3 GLY A 1 -13.678 -0.675 -12.071 1.00 62.34 H new ATOM 10 N PRO A 2 -11.251 -2.004 -12.937 1.00 60.31 N ATOM 11 CA PRO A 2 -10.456 -3.157 -13.327 1.00 71.12 C ATOM 12 C PRO A 2 -11.121 -4.421 -12.814 1.00 33.15 C ATOM 13 O PRO A 2 -11.908 -4.353 -11.860 1.00 3.23 O ATOM 14 CB PRO A 2 -9.090 -2.921 -12.645 1.00 22.43 C ATOM 15 CG PRO A 2 -9.412 -2.030 -11.439 1.00 33.51 C ATOM 16 CD PRO A 2 -10.589 -1.177 -11.922 1.00 34.42 C ATOM 0 HA PRO A 2 -10.352 -3.273 -14.406 1.00 71.12 H new ATOM 0 HB2 PRO A 2 -8.634 -3.861 -12.334 1.00 22.43 H new ATOM 0 HB3 PRO A 2 -8.387 -2.435 -13.322 1.00 22.43 H new ATOM 0 HG2 PRO A 2 -9.679 -2.622 -10.564 1.00 33.51 H new ATOM 0 HG3 PRO A 2 -8.559 -1.413 -11.158 1.00 33.51 H new ATOM 0 HD2 PRO A 2 -11.267 -0.936 -11.103 1.00 34.42 H new ATOM 0 HD3 PRO A 2 -10.247 -0.231 -12.342 1.00 34.42 H new ATOM 24 N LYS A 3 -10.824 -5.555 -13.464 1.00 53.21 N ATOM 25 CA LYS A 3 -11.395 -6.846 -13.130 1.00 50.50 C ATOM 26 C LYS A 3 -10.690 -7.364 -11.876 1.00 50.41 C ATOM 27 O LYS A 3 -9.629 -6.881 -11.500 1.00 31.10 O ATOM 28 CB LYS A 3 -11.172 -7.845 -14.297 1.00 31.05 C ATOM 29 CG LYS A 3 -11.885 -7.382 -15.575 1.00 14.30 C ATOM 30 CD LYS A 3 -11.461 -8.123 -16.842 1.00 23.43 C ATOM 31 CE LYS A 3 -12.224 -7.655 -18.103 1.00 3.53 C ATOM 32 NZ LYS A 3 -12.130 -6.185 -18.264 1.00 14.14 N ATOM 0 H LYS A 3 -10.170 -5.590 -14.246 1.00 53.21 H new ATOM 0 HA LYS A 3 -12.466 -6.747 -12.956 1.00 50.50 H new ATOM 0 HB2 LYS A 3 -10.104 -7.948 -14.491 1.00 31.05 H new ATOM 0 HB3 LYS A 3 -11.540 -8.830 -14.010 1.00 31.05 H new ATOM 0 HG2 LYS A 3 -12.960 -7.504 -15.441 1.00 14.30 H new ATOM 0 HG3 LYS A 3 -11.700 -6.317 -15.713 1.00 14.30 H new ATOM 0 HD2 LYS A 3 -10.392 -7.981 -16.998 1.00 23.43 H new ATOM 0 HD3 LYS A 3 -11.623 -9.192 -16.702 1.00 23.43 H new ATOM 0 HE2 LYS A 3 -11.814 -8.148 -18.985 1.00 3.53 H new ATOM 0 HE3 LYS A 3 -13.271 -7.950 -18.030 1.00 3.53 H new ATOM 0 HZ1 LYS A 3 -12.469 -5.917 -19.210 1.00 14.14 H new ATOM 0 HZ2 LYS A 3 -12.715 -5.719 -17.542 1.00 14.14 H new ATOM 0 HZ3 LYS A 3 -11.140 -5.886 -18.153 1.00 14.14 H new ATOM 46 N PRO A 4 -11.307 -8.351 -11.194 1.00 3.25 N ATOM 47 CA PRO A 4 -10.708 -8.989 -10.024 1.00 63.12 C ATOM 48 C PRO A 4 -9.441 -9.712 -10.444 1.00 11.22 C ATOM 49 O PRO A 4 -9.511 -10.614 -11.278 1.00 11.03 O ATOM 50 CB PRO A 4 -11.788 -9.968 -9.511 1.00 32.53 C ATOM 51 CG PRO A 4 -12.710 -10.210 -10.728 1.00 2.24 C ATOM 52 CD PRO A 4 -12.639 -8.886 -11.500 1.00 43.32 C ATOM 0 HA PRO A 4 -10.421 -8.284 -9.244 1.00 63.12 H new ATOM 0 HB2 PRO A 4 -11.343 -10.899 -9.160 1.00 32.53 H new ATOM 0 HB3 PRO A 4 -12.341 -9.543 -8.673 1.00 32.53 H new ATOM 0 HG2 PRO A 4 -12.363 -11.047 -11.334 1.00 2.24 H new ATOM 0 HG3 PRO A 4 -13.730 -10.441 -10.419 1.00 2.24 H new ATOM 0 HD2 PRO A 4 -12.766 -9.044 -12.571 1.00 43.32 H new ATOM 0 HD3 PRO A 4 -13.424 -8.200 -11.183 1.00 43.32 H new ATOM 60 N GLY A 5 -8.285 -9.348 -9.861 1.00 12.04 N ATOM 61 CA GLY A 5 -7.035 -9.995 -10.238 1.00 32.15 C ATOM 62 C GLY A 5 -6.406 -9.220 -11.360 1.00 3.44 C ATOM 63 O GLY A 5 -5.480 -9.706 -12.016 1.00 30.12 O ATOM 0 H GLY A 5 -8.199 -8.626 -9.145 1.00 12.04 H new ATOM 0 HA2 GLY A 5 -6.359 -10.037 -9.384 1.00 32.15 H new ATOM 0 HA3 GLY A 5 -7.221 -11.023 -10.548 1.00 32.15 H new ATOM 67 N ASP A 6 -6.907 -7.995 -11.613 1.00 2.34 N ATOM 68 CA ASP A 6 -6.352 -7.175 -12.679 1.00 23.34 C ATOM 69 C ASP A 6 -5.472 -6.186 -11.994 1.00 31.33 C ATOM 70 O ASP A 6 -5.720 -5.807 -10.843 1.00 22.22 O ATOM 71 CB ASP A 6 -7.390 -6.424 -13.563 1.00 43.41 C ATOM 72 CG ASP A 6 -6.681 -5.781 -14.755 1.00 10.33 C ATOM 73 OD1 ASP A 6 -5.742 -6.409 -15.301 1.00 50.31 O ATOM 74 OD2 ASP A 6 -7.082 -4.662 -15.174 1.00 11.24 O ATOM 0 H ASP A 6 -7.678 -7.569 -11.100 1.00 2.34 H new ATOM 0 HA ASP A 6 -5.837 -7.830 -13.381 1.00 23.34 H new ATOM 0 HB2 ASP A 6 -8.154 -7.118 -13.913 1.00 43.41 H new ATOM 0 HB3 ASP A 6 -7.899 -5.660 -12.975 1.00 43.41 H new ATOM 79 N ILE A 7 -4.383 -5.821 -12.657 1.00 51.03 N ATOM 80 CA ILE A 7 -3.364 -5.002 -12.062 1.00 65.12 C ATOM 81 C ILE A 7 -3.699 -3.599 -12.461 1.00 71.34 C ATOM 82 O ILE A 7 -4.133 -3.353 -13.595 1.00 75.00 O ATOM 83 CB ILE A 7 -1.932 -5.371 -12.532 1.00 25.42 C ATOM 84 CG1 ILE A 7 -1.480 -6.753 -11.985 1.00 73.31 C ATOM 85 CG2 ILE A 7 -0.941 -4.267 -12.113 1.00 20.42 C ATOM 86 CD1 ILE A 7 -2.244 -7.943 -12.537 1.00 23.04 C ATOM 0 H ILE A 7 -4.192 -6.090 -13.622 1.00 51.03 H new ATOM 0 HA ILE A 7 -3.353 -5.144 -10.981 1.00 65.12 H new ATOM 0 HB ILE A 7 -1.945 -5.447 -13.619 1.00 25.42 H new ATOM 0 HG12 ILE A 7 -0.421 -6.886 -12.207 1.00 73.31 H new ATOM 0 HG13 ILE A 7 -1.580 -6.748 -10.900 1.00 73.31 H new ATOM 0 HG21 ILE A 7 0.062 -4.533 -12.446 1.00 20.42 H new ATOM 0 HG22 ILE A 7 -1.236 -3.321 -12.568 1.00 20.42 H new ATOM 0 HG23 ILE A 7 -0.948 -4.165 -11.028 1.00 20.42 H new ATOM 0 HD11 ILE A 7 -1.856 -8.861 -12.096 1.00 23.04 H new ATOM 0 HD12 ILE A 7 -3.301 -7.842 -12.293 1.00 23.04 H new ATOM 0 HD13 ILE A 7 -2.124 -7.982 -13.620 1.00 23.04 H new ATOM 98 N PHE A 8 -3.539 -2.651 -11.529 1.00 63.05 N ATOM 99 CA PHE A 8 -3.801 -1.283 -11.824 1.00 61.01 C ATOM 100 C PHE A 8 -2.774 -0.494 -11.089 1.00 73.43 C ATOM 101 O PHE A 8 -2.264 -0.921 -10.054 1.00 51.42 O ATOM 102 CB PHE A 8 -5.249 -0.773 -11.468 1.00 51.21 C ATOM 103 CG PHE A 8 -5.590 -1.013 -10.004 1.00 51.02 C ATOM 104 CD1 PHE A 8 -5.725 -2.336 -9.469 1.00 50.42 C ATOM 105 CD2 PHE A 8 -5.834 0.089 -9.147 1.00 23.55 C ATOM 106 CE1 PHE A 8 -6.074 -2.520 -8.115 1.00 64.11 C ATOM 107 CE2 PHE A 8 -6.189 -0.114 -7.799 1.00 50.45 C ATOM 108 CZ PHE A 8 -6.305 -1.412 -7.284 1.00 64.22 C ATOM 0 H PHE A 8 -3.229 -2.830 -10.574 1.00 63.05 H new ATOM 0 HA PHE A 8 -3.748 -1.158 -12.905 1.00 61.01 H new ATOM 0 HB2 PHE A 8 -5.324 0.292 -11.688 1.00 51.21 H new ATOM 0 HB3 PHE A 8 -5.978 -1.281 -12.099 1.00 51.21 H new ATOM 0 HD1 PHE A 8 -5.559 -3.194 -10.104 1.00 50.42 H new ATOM 0 HD2 PHE A 8 -5.747 1.095 -9.531 1.00 23.55 H new ATOM 0 HE1 PHE A 8 -6.164 -3.519 -7.715 1.00 64.11 H new ATOM 0 HE2 PHE A 8 -6.373 0.736 -7.159 1.00 50.45 H new ATOM 0 HZ PHE A 8 -6.572 -1.560 -6.248 1.00 64.22 H new ATOM 118 N GLU A 9 -2.403 0.660 -11.644 1.00 21.43 N ATOM 119 CA GLU A 9 -1.396 1.474 -11.040 1.00 44.22 C ATOM 120 C GLU A 9 -2.127 2.587 -10.378 1.00 63.31 C ATOM 121 O GLU A 9 -3.116 3.076 -10.921 1.00 24.22 O ATOM 122 CB GLU A 9 -0.437 2.095 -12.069 1.00 10.35 C ATOM 123 CG GLU A 9 0.138 1.052 -13.030 1.00 33.22 C ATOM 124 CD GLU A 9 1.262 1.679 -13.780 1.00 64.43 C ATOM 125 OE1 GLU A 9 1.025 2.657 -14.517 1.00 65.52 O ATOM 126 OE2 GLU A 9 2.416 1.222 -13.599 1.00 72.04 O ATOM 0 H GLU A 9 -2.794 1.035 -12.508 1.00 21.43 H new ATOM 0 HA GLU A 9 -0.797 0.865 -10.363 1.00 44.22 H new ATOM 0 HB2 GLU A 9 -0.965 2.859 -12.639 1.00 10.35 H new ATOM 0 HB3 GLU A 9 0.379 2.594 -11.547 1.00 10.35 H new ATOM 0 HG2 GLU A 9 0.489 0.180 -12.479 1.00 33.22 H new ATOM 0 HG3 GLU A 9 -0.632 0.705 -13.719 1.00 33.22 H new ATOM 133 N VAL A 10 -1.681 2.994 -9.190 1.00 43.42 N ATOM 134 CA VAL A 10 -2.308 4.086 -8.502 1.00 60.52 C ATOM 135 C VAL A 10 -1.225 5.045 -8.191 1.00 63.45 C ATOM 136 O VAL A 10 -0.169 4.664 -7.699 1.00 34.10 O ATOM 137 CB VAL A 10 -2.977 3.673 -7.187 1.00 2.44 C ATOM 138 CG1 VAL A 10 -3.525 4.932 -6.460 1.00 45.32 C ATOM 139 CG2 VAL A 10 -4.068 2.634 -7.513 1.00 45.54 C ATOM 0 H VAL A 10 -0.891 2.577 -8.698 1.00 43.42 H new ATOM 0 HA VAL A 10 -3.095 4.497 -9.135 1.00 60.52 H new ATOM 0 HB VAL A 10 -2.267 3.211 -6.502 1.00 2.44 H new ATOM 0 HG11 VAL A 10 -4.000 4.634 -5.525 1.00 45.32 H new ATOM 0 HG12 VAL A 10 -2.703 5.616 -6.248 1.00 45.32 H new ATOM 0 HG13 VAL A 10 -4.257 5.430 -7.096 1.00 45.32 H new ATOM 0 HG21 VAL A 10 -4.561 2.323 -6.592 1.00 45.54 H new ATOM 0 HG22 VAL A 10 -4.803 3.077 -8.186 1.00 45.54 H new ATOM 0 HG23 VAL A 10 -3.613 1.767 -7.992 1.00 45.54 H new ATOM 149 N GLU A 11 -1.466 6.328 -8.469 1.00 60.23 N ATOM 150 CA GLU A 11 -0.575 7.342 -8.014 1.00 23.33 C ATOM 151 C GLU A 11 -1.232 7.943 -6.828 1.00 42.20 C ATOM 152 O GLU A 11 -2.345 8.477 -6.917 1.00 1.41 O ATOM 153 CB GLU A 11 -0.306 8.427 -9.050 1.00 33.44 C ATOM 154 CG GLU A 11 0.476 7.878 -10.249 1.00 4.43 C ATOM 155 CD GLU A 11 0.718 8.988 -11.231 1.00 52.14 C ATOM 156 OE1 GLU A 11 0.092 10.056 -11.101 1.00 61.40 O ATOM 157 OE2 GLU A 11 1.523 8.786 -12.150 1.00 52.44 O ATOM 0 H GLU A 11 -2.267 6.665 -9.003 1.00 60.23 H new ATOM 0 HA GLU A 11 0.397 6.900 -7.797 1.00 23.33 H new ATOM 0 HB2 GLU A 11 -1.252 8.847 -9.393 1.00 33.44 H new ATOM 0 HB3 GLU A 11 0.255 9.240 -8.590 1.00 33.44 H new ATOM 0 HG2 GLU A 11 1.425 7.457 -9.917 1.00 4.43 H new ATOM 0 HG3 GLU A 11 -0.082 7.071 -10.724 1.00 4.43 H new ATOM 164 N LEU A 12 -0.581 7.807 -5.672 1.00 3.11 N ATOM 165 CA LEU A 12 -1.149 8.216 -4.440 1.00 41.52 C ATOM 166 C LEU A 12 -0.491 9.495 -4.096 1.00 53.55 C ATOM 167 O LEU A 12 0.740 9.556 -3.993 1.00 41.43 O ATOM 168 CB LEU A 12 -0.828 7.196 -3.314 1.00 14.24 C ATOM 169 CG LEU A 12 -1.851 7.139 -2.173 1.00 1.31 C ATOM 170 CD1 LEU A 12 -1.865 8.391 -1.284 1.00 21.01 C ATOM 171 CD2 LEU A 12 -3.239 6.753 -2.689 1.00 23.20 C ATOM 0 H LEU A 12 0.354 7.407 -5.591 1.00 3.11 H new ATOM 0 HA LEU A 12 -2.232 8.299 -4.531 1.00 41.52 H new ATOM 0 HB2 LEU A 12 -0.747 6.204 -3.757 1.00 14.24 H new ATOM 0 HB3 LEU A 12 0.148 7.438 -2.894 1.00 14.24 H new ATOM 0 HG LEU A 12 -1.521 6.342 -1.506 1.00 1.31 H new ATOM 0 HD11 LEU A 12 -2.614 8.273 -0.501 1.00 21.01 H new ATOM 0 HD12 LEU A 12 -0.883 8.525 -0.829 1.00 21.01 H new ATOM 0 HD13 LEU A 12 -2.107 9.264 -1.889 1.00 21.01 H new ATOM 0 HD21 LEU A 12 -3.941 6.721 -1.856 1.00 23.20 H new ATOM 0 HD22 LEU A 12 -3.574 7.491 -3.418 1.00 23.20 H new ATOM 0 HD23 LEU A 12 -3.192 5.772 -3.161 1.00 23.20 H new ATOM 183 N ALA A 13 -1.291 10.561 -3.942 1.00 4.41 N ATOM 184 CA ALA A 13 -0.743 11.840 -3.618 1.00 65.04 C ATOM 185 C ALA A 13 -0.826 12.011 -2.137 1.00 31.50 C ATOM 186 O ALA A 13 -1.860 11.756 -1.518 1.00 4.33 O ATOM 187 CB ALA A 13 -1.489 13.017 -4.265 1.00 2.05 C ATOM 0 H ALA A 13 -2.306 10.541 -4.040 1.00 4.41 H new ATOM 0 HA ALA A 13 0.279 11.856 -3.998 1.00 65.04 H new ATOM 0 HB1 ALA A 13 -1.014 13.954 -3.972 1.00 2.05 H new ATOM 0 HB2 ALA A 13 -1.456 12.917 -5.350 1.00 2.05 H new ATOM 0 HB3 ALA A 13 -2.527 13.017 -3.932 1.00 2.05 H new ATOM 193 N LYS A 14 0.278 12.484 -1.552 1.00 2.14 N ATOM 194 CA LYS A 14 0.386 12.807 -0.140 1.00 11.45 C ATOM 195 C LYS A 14 -0.084 14.230 0.031 1.00 61.14 C ATOM 196 O LYS A 14 0.500 14.962 0.797 1.00 25.14 O ATOM 197 CB LYS A 14 1.844 12.759 0.389 1.00 73.24 C ATOM 198 CG LYS A 14 2.606 11.462 0.080 1.00 65.54 C ATOM 199 CD LYS A 14 2.172 10.232 0.875 1.00 24.52 C ATOM 200 CE LYS A 14 2.950 8.963 0.469 1.00 62.23 C ATOM 201 NZ LYS A 14 4.406 9.249 0.318 1.00 24.24 N ATOM 0 H LYS A 14 1.141 12.655 -2.068 1.00 2.14 H new ATOM 0 HA LYS A 14 -0.203 12.073 0.411 1.00 11.45 H new ATOM 0 HB2 LYS A 14 2.396 13.597 -0.036 1.00 73.24 H new ATOM 0 HB3 LYS A 14 1.827 12.904 1.469 1.00 73.24 H new ATOM 0 HG2 LYS A 14 2.496 11.242 -0.982 1.00 65.54 H new ATOM 0 HG3 LYS A 14 3.667 11.634 0.262 1.00 65.54 H new ATOM 0 HD2 LYS A 14 2.319 10.420 1.939 1.00 24.52 H new ATOM 0 HD3 LYS A 14 1.105 10.064 0.725 1.00 24.52 H new ATOM 0 HE2 LYS A 14 2.805 8.188 1.221 1.00 62.23 H new ATOM 0 HE3 LYS A 14 2.554 8.575 -0.469 1.00 62.23 H new ATOM 0 HZ1 LYS A 14 4.909 8.371 0.078 1.00 24.24 H new ATOM 0 HZ2 LYS A 14 4.546 9.947 -0.440 1.00 24.24 H new ATOM 0 HZ3 LYS A 14 4.780 9.629 1.211 1.00 24.24 H new ATOM 215 N ASN A 15 -1.087 14.659 -0.794 1.00 71.11 N ATOM 216 CA ASN A 15 -1.526 16.071 -0.931 1.00 15.31 C ATOM 217 C ASN A 15 -1.660 16.760 0.417 1.00 44.12 C ATOM 218 O ASN A 15 -1.338 17.942 0.533 1.00 62.33 O ATOM 219 CB ASN A 15 -2.881 16.212 -1.684 1.00 62.13 C ATOM 220 CG ASN A 15 -3.188 17.705 -1.900 1.00 14.45 C ATOM 221 OD1 ASN A 15 -2.389 18.438 -2.511 1.00 60.25 O ATOM 222 ND2 ASN A 15 -4.342 18.171 -1.399 1.00 65.44 N ATOM 0 H ASN A 15 -1.616 14.020 -1.387 1.00 71.11 H new ATOM 0 HA ASN A 15 -0.742 16.552 -1.517 1.00 15.31 H new ATOM 0 HB2 ASN A 15 -2.833 15.696 -2.643 1.00 62.13 H new ATOM 0 HB3 ASN A 15 -3.680 15.744 -1.110 1.00 62.13 H new ATOM 0 HD21 ASN A 15 -4.588 19.154 -1.514 1.00 65.44 H new ATOM 0 HD22 ASN A 15 -4.974 17.542 -0.904 1.00 65.44 H new ATOM 229 N ASP A 16 -2.130 16.034 1.459 1.00 23.32 N ATOM 230 CA ASP A 16 -2.258 16.622 2.798 1.00 3.35 C ATOM 231 C ASP A 16 -0.834 16.766 3.375 1.00 35.34 C ATOM 232 O ASP A 16 0.144 16.902 2.637 1.00 75.33 O ATOM 233 CB ASP A 16 -3.139 15.749 3.769 1.00 44.21 C ATOM 234 CG ASP A 16 -3.478 16.546 5.027 1.00 41.10 C ATOM 235 OD1 ASP A 16 -4.161 17.567 4.924 1.00 41.44 O ATOM 236 OD2 ASP A 16 -3.011 16.160 6.121 1.00 75.24 O ATOM 0 H ASP A 16 -2.420 15.058 1.393 1.00 23.32 H new ATOM 0 HA ASP A 16 -2.762 17.585 2.711 1.00 3.35 H new ATOM 0 HB2 ASP A 16 -4.056 15.443 3.265 1.00 44.21 H new ATOM 0 HB3 ASP A 16 -2.604 14.838 4.039 1.00 44.21 H new ATOM 241 N ASN A 17 -0.700 16.748 4.693 1.00 40.40 N ATOM 242 CA ASN A 17 0.595 16.809 5.323 1.00 52.50 C ATOM 243 C ASN A 17 0.779 15.471 5.968 1.00 73.22 C ATOM 244 O ASN A 17 1.888 14.943 6.049 1.00 44.24 O ATOM 245 CB ASN A 17 0.683 17.901 6.422 1.00 30.11 C ATOM 246 CG ASN A 17 2.137 18.004 6.876 1.00 55.40 C ATOM 247 OD1 ASN A 17 3.043 18.087 6.051 1.00 12.42 O ATOM 248 ND2 ASN A 17 2.371 18.001 8.190 1.00 52.52 N ATOM 0 H ASN A 17 -1.483 16.691 5.344 1.00 40.40 H new ATOM 0 HA ASN A 17 1.355 17.055 4.581 1.00 52.50 H new ATOM 0 HB2 ASN A 17 0.337 18.859 6.034 1.00 30.11 H new ATOM 0 HB3 ASN A 17 0.039 17.646 7.264 1.00 30.11 H new ATOM 0 HD21 ASN A 17 3.327 18.069 8.538 1.00 52.52 H new ATOM 0 HD22 ASN A 17 1.593 17.931 8.846 1.00 52.52 H new ATOM 255 N SER A 18 -0.346 14.884 6.412 1.00 54.24 N ATOM 256 CA SER A 18 -0.330 13.589 7.017 1.00 33.15 C ATOM 257 C SER A 18 -0.181 12.583 5.902 1.00 14.12 C ATOM 258 O SER A 18 -1.031 12.497 5.015 1.00 74.25 O ATOM 259 CB SER A 18 -1.644 13.270 7.757 1.00 52.45 C ATOM 260 OG SER A 18 -1.920 14.272 8.744 1.00 14.25 O ATOM 0 H SER A 18 -1.271 15.309 6.351 1.00 54.24 H new ATOM 0 HA SER A 18 0.483 13.555 7.742 1.00 33.15 H new ATOM 0 HB2 SER A 18 -2.466 13.217 7.044 1.00 52.45 H new ATOM 0 HB3 SER A 18 -1.572 12.292 8.233 1.00 52.45 H new ATOM 0 HG SER A 18 -2.758 14.056 9.204 1.00 14.25 H new ATOM 266 N LEU A 19 0.919 11.802 5.926 1.00 24.52 N ATOM 267 CA LEU A 19 1.097 10.723 4.979 1.00 22.10 C ATOM 268 C LEU A 19 0.116 9.664 5.418 1.00 2.15 C ATOM 269 O LEU A 19 -0.808 9.303 4.705 1.00 51.44 O ATOM 270 CB LEU A 19 2.537 10.123 5.029 1.00 72.21 C ATOM 271 CG LEU A 19 3.660 11.200 5.007 1.00 43.04 C ATOM 272 CD1 LEU A 19 5.063 10.598 5.165 1.00 0.30 C ATOM 273 CD2 LEU A 19 3.574 12.166 3.811 1.00 21.22 C ATOM 0 H LEU A 19 1.683 11.911 6.593 1.00 24.52 H new ATOM 0 HA LEU A 19 0.941 11.078 3.960 1.00 22.10 H new ATOM 0 HB2 LEU A 19 2.640 9.521 5.932 1.00 72.21 H new ATOM 0 HB3 LEU A 19 2.672 9.452 4.181 1.00 72.21 H new ATOM 0 HG LEU A 19 3.477 11.812 5.890 1.00 43.04 H new ATOM 0 HD11 LEU A 19 5.806 11.395 5.142 1.00 0.30 H new ATOM 0 HD12 LEU A 19 5.127 10.069 6.116 1.00 0.30 H new ATOM 0 HD13 LEU A 19 5.254 9.901 4.349 1.00 0.30 H new ATOM 0 HD21 LEU A 19 4.390 12.887 3.866 1.00 21.22 H new ATOM 0 HD22 LEU A 19 3.650 11.602 2.881 1.00 21.22 H new ATOM 0 HD23 LEU A 19 2.621 12.694 3.838 1.00 21.22 H new ATOM 285 N GLY A 20 0.284 9.258 6.696 1.00 11.25 N ATOM 286 CA GLY A 20 -0.672 8.443 7.434 1.00 61.22 C ATOM 287 C GLY A 20 -1.089 7.214 6.690 1.00 72.22 C ATOM 288 O GLY A 20 -2.291 6.995 6.478 1.00 72.24 O ATOM 0 H GLY A 20 1.110 9.500 7.244 1.00 11.25 H new ATOM 0 HA2 GLY A 20 -0.233 8.152 8.388 1.00 61.22 H new ATOM 0 HA3 GLY A 20 -1.554 9.042 7.659 1.00 61.22 H new ATOM 292 N ILE A 21 -0.134 6.359 6.330 1.00 72.00 N ATOM 293 CA ILE A 21 -0.475 5.074 5.796 1.00 22.22 C ATOM 294 C ILE A 21 0.394 4.132 6.572 1.00 44.35 C ATOM 295 O ILE A 21 1.479 4.522 7.018 1.00 30.11 O ATOM 296 CB ILE A 21 -0.176 4.921 4.285 1.00 35.52 C ATOM 297 CG1 ILE A 21 -0.649 6.176 3.504 1.00 32.05 C ATOM 298 CG2 ILE A 21 -0.843 3.614 3.764 1.00 43.15 C ATOM 299 CD1 ILE A 21 -0.401 6.095 1.989 1.00 2.25 C ATOM 0 H ILE A 21 0.866 6.544 6.403 1.00 72.00 H new ATOM 0 HA ILE A 21 -1.546 4.895 5.887 1.00 22.22 H new ATOM 0 HB ILE A 21 0.899 4.842 4.124 1.00 35.52 H new ATOM 0 HG12 ILE A 21 -1.715 6.322 3.681 1.00 32.05 H new ATOM 0 HG13 ILE A 21 -0.137 7.053 3.900 1.00 32.05 H new ATOM 0 HG21 ILE A 21 -0.637 3.499 2.700 1.00 43.15 H new ATOM 0 HG22 ILE A 21 -0.440 2.759 4.306 1.00 43.15 H new ATOM 0 HG23 ILE A 21 -1.920 3.668 3.921 1.00 43.15 H new ATOM 0 HD11 ILE A 21 -0.758 7.008 1.513 1.00 2.25 H new ATOM 0 HD12 ILE A 21 0.667 5.981 1.801 1.00 2.25 H new ATOM 0 HD13 ILE A 21 -0.936 5.239 1.578 1.00 2.25 H new ATOM 311 N CYS A 22 -0.047 2.878 6.735 1.00 4.41 N ATOM 312 CA CYS A 22 0.809 1.867 7.303 1.00 61.11 C ATOM 313 C CYS A 22 0.367 0.630 6.646 1.00 22.42 C ATOM 314 O CYS A 22 -0.660 0.612 5.964 1.00 75.44 O ATOM 315 CB CYS A 22 0.594 1.625 8.829 1.00 32.20 C ATOM 316 SG CYS A 22 1.206 2.979 9.865 1.00 74.43 S ATOM 0 H CYS A 22 -0.981 2.557 6.481 1.00 4.41 H new ATOM 0 HA CYS A 22 1.848 2.165 7.165 1.00 61.11 H new ATOM 0 HB2 CYS A 22 -0.470 1.483 9.021 1.00 32.20 H new ATOM 0 HB3 CYS A 22 1.096 0.701 9.117 1.00 32.20 H new ATOM 321 N VAL A 23 1.189 -0.408 6.736 1.00 34.13 N ATOM 322 CA VAL A 23 1.005 -1.578 5.964 1.00 42.21 C ATOM 323 C VAL A 23 1.445 -2.704 6.847 1.00 40.41 C ATOM 324 O VAL A 23 2.008 -2.484 7.926 1.00 10.04 O ATOM 325 CB VAL A 23 1.841 -1.591 4.679 1.00 11.30 C ATOM 326 CG1 VAL A 23 1.049 -0.873 3.565 1.00 23.51 C ATOM 327 CG2 VAL A 23 3.192 -0.929 4.956 1.00 3.44 C ATOM 0 H VAL A 23 1.998 -0.438 7.356 1.00 34.13 H new ATOM 0 HA VAL A 23 -0.035 -1.650 5.645 1.00 42.21 H new ATOM 0 HB VAL A 23 2.038 -2.610 4.344 1.00 11.30 H new ATOM 0 HG11 VAL A 23 1.633 -0.875 2.644 1.00 23.51 H new ATOM 0 HG12 VAL A 23 0.105 -1.392 3.397 1.00 23.51 H new ATOM 0 HG13 VAL A 23 0.849 0.155 3.866 1.00 23.51 H new ATOM 0 HG21 VAL A 23 3.793 -0.934 4.047 1.00 3.44 H new ATOM 0 HG22 VAL A 23 3.034 0.099 5.280 1.00 3.44 H new ATOM 0 HG23 VAL A 23 3.713 -1.480 5.739 1.00 3.44 H new ATOM 337 N THR A 24 1.144 -3.912 6.417 1.00 64.21 N ATOM 338 CA THR A 24 1.482 -5.100 7.116 1.00 11.43 C ATOM 339 C THR A 24 1.825 -6.041 5.992 1.00 54.45 C ATOM 340 O THR A 24 1.551 -5.726 4.852 1.00 41.21 O ATOM 341 CB THR A 24 0.317 -5.647 7.980 1.00 32.03 C ATOM 342 OG1 THR A 24 0.685 -6.834 8.699 1.00 5.02 O ATOM 343 CG2 THR A 24 -0.920 -5.918 7.089 1.00 12.44 C ATOM 0 H THR A 24 0.643 -4.082 5.545 1.00 64.21 H new ATOM 0 HA THR A 24 2.287 -4.951 7.836 1.00 11.43 H new ATOM 0 HB THR A 24 0.072 -4.886 8.721 1.00 32.03 H new ATOM 0 HG1 THR A 24 -0.077 -7.144 9.231 1.00 5.02 H new ATOM 0 HG21 THR A 24 -1.734 -6.302 7.704 1.00 12.44 H new ATOM 0 HG22 THR A 24 -1.234 -4.990 6.610 1.00 12.44 H new ATOM 0 HG23 THR A 24 -0.664 -6.652 6.325 1.00 12.44 H new ATOM 351 N GLY A 25 2.461 -7.174 6.284 1.00 63.13 N ATOM 352 CA GLY A 25 2.846 -8.103 5.223 1.00 3.23 C ATOM 353 C GLY A 25 4.309 -8.270 5.303 1.00 40.12 C ATOM 354 O GLY A 25 4.943 -7.744 6.208 1.00 20.44 O ATOM 0 H GLY A 25 2.717 -7.467 7.227 1.00 63.13 H new ATOM 0 HA2 GLY A 25 2.342 -9.061 5.348 1.00 3.23 H new ATOM 0 HA3 GLY A 25 2.555 -7.715 4.247 1.00 3.23 H new ATOM 358 N GLY A 26 4.898 -9.001 4.336 1.00 64.52 N ATOM 359 CA GLY A 26 6.327 -9.073 4.264 1.00 11.33 C ATOM 360 C GLY A 26 6.741 -10.503 4.202 1.00 23.52 C ATOM 361 O GLY A 26 6.269 -11.263 3.367 1.00 31.44 O ATOM 0 H GLY A 26 4.400 -9.530 3.620 1.00 64.52 H new ATOM 0 HA2 GLY A 26 6.686 -8.539 3.384 1.00 11.33 H new ATOM 0 HA3 GLY A 26 6.772 -8.590 5.134 1.00 11.33 H new ATOM 365 N VAL A 27 7.673 -10.873 5.105 1.00 14.45 N ATOM 366 CA VAL A 27 8.425 -12.138 5.123 1.00 74.25 C ATOM 367 C VAL A 27 7.558 -13.376 5.407 1.00 11.42 C ATOM 368 O VAL A 27 8.094 -14.400 5.841 1.00 42.11 O ATOM 369 CB VAL A 27 9.561 -12.089 6.127 1.00 23.11 C ATOM 370 CG1 VAL A 27 10.581 -11.053 5.624 1.00 14.45 C ATOM 371 CG2 VAL A 27 8.991 -11.736 7.527 1.00 54.40 C ATOM 0 H VAL A 27 7.932 -10.263 5.880 1.00 14.45 H new ATOM 0 HA VAL A 27 8.820 -12.243 4.112 1.00 74.25 H new ATOM 0 HB VAL A 27 10.063 -13.052 6.223 1.00 23.11 H new ATOM 0 HG11 VAL A 27 11.414 -10.992 6.325 1.00 14.45 H new ATOM 0 HG12 VAL A 27 10.952 -11.354 4.644 1.00 14.45 H new ATOM 0 HG13 VAL A 27 10.101 -10.078 5.546 1.00 14.45 H new ATOM 0 HG21 VAL A 27 9.804 -11.700 8.252 1.00 54.40 H new ATOM 0 HG22 VAL A 27 8.498 -10.765 7.485 1.00 54.40 H new ATOM 0 HG23 VAL A 27 8.270 -12.496 7.828 1.00 54.40 H new ATOM 381 N ASN A 28 6.231 -13.284 5.221 1.00 23.42 N ATOM 382 CA ASN A 28 5.274 -14.315 5.658 1.00 62.24 C ATOM 383 C ASN A 28 4.912 -14.019 7.056 1.00 21.01 C ATOM 384 O ASN A 28 5.207 -14.753 7.998 1.00 32.12 O ATOM 385 CB ASN A 28 5.636 -15.828 5.498 1.00 50.53 C ATOM 386 CG ASN A 28 5.711 -16.153 4.007 1.00 44.10 C ATOM 387 OD1 ASN A 28 4.836 -15.763 3.234 1.00 30.42 O ATOM 388 ND2 ASN A 28 6.764 -16.875 3.582 1.00 62.11 N ATOM 0 H ASN A 28 5.789 -12.488 4.761 1.00 23.42 H new ATOM 0 HA ASN A 28 4.452 -14.229 4.947 1.00 62.24 H new ATOM 0 HB2 ASN A 28 6.589 -16.043 5.981 1.00 50.53 H new ATOM 0 HB3 ASN A 28 4.885 -16.451 5.984 1.00 50.53 H new ATOM 0 HD21 ASN A 28 6.853 -17.114 2.594 1.00 62.11 H new ATOM 0 HD22 ASN A 28 7.473 -17.184 4.247 1.00 62.11 H new ATOM 395 N THR A 29 4.231 -12.885 7.185 1.00 52.45 N ATOM 396 CA THR A 29 3.608 -12.483 8.411 1.00 42.10 C ATOM 397 C THR A 29 2.290 -13.272 8.437 1.00 65.33 C ATOM 398 O THR A 29 2.143 -14.246 7.693 1.00 71.22 O ATOM 399 CB THR A 29 3.400 -10.963 8.543 1.00 44.53 C ATOM 400 OG1 THR A 29 3.060 -10.583 9.878 1.00 60.04 O ATOM 401 CG2 THR A 29 2.330 -10.480 7.562 1.00 43.25 C ATOM 0 H THR A 29 4.103 -12.220 6.422 1.00 52.45 H new ATOM 0 HA THR A 29 4.244 -12.703 9.269 1.00 42.10 H new ATOM 0 HB THR A 29 4.348 -10.484 8.298 1.00 44.53 H new ATOM 0 HG1 THR A 29 2.938 -9.612 9.921 1.00 60.04 H new ATOM 0 HG21 THR A 29 2.197 -9.404 7.670 1.00 43.25 H new ATOM 0 HG22 THR A 29 2.642 -10.707 6.543 1.00 43.25 H new ATOM 0 HG23 THR A 29 1.388 -10.985 7.774 1.00 43.25 H new ATOM 409 N SER A 30 1.356 -12.921 9.316 1.00 45.23 N ATOM 410 CA SER A 30 0.118 -13.667 9.469 1.00 21.22 C ATOM 411 C SER A 30 -0.681 -13.756 8.140 1.00 33.24 C ATOM 412 O SER A 30 -1.518 -14.644 7.996 1.00 41.14 O ATOM 413 CB SER A 30 -0.785 -13.059 10.552 1.00 64.31 C ATOM 414 OG SER A 30 -0.017 -12.866 11.757 1.00 22.12 O ATOM 0 H SER A 30 1.438 -12.116 9.937 1.00 45.23 H new ATOM 0 HA SER A 30 0.414 -14.672 9.771 1.00 21.22 H new ATOM 0 HB2 SER A 30 -1.193 -12.108 10.210 1.00 64.31 H new ATOM 0 HB3 SER A 30 -1.632 -13.717 10.748 1.00 64.31 H new ATOM 0 HG SER A 30 -0.589 -12.476 12.451 1.00 22.12 H new ATOM 420 N VAL A 31 -0.421 -12.861 7.131 1.00 44.31 N ATOM 421 CA VAL A 31 -1.132 -12.975 5.866 1.00 54.12 C ATOM 422 C VAL A 31 -0.366 -13.971 4.994 1.00 72.32 C ATOM 423 O VAL A 31 0.872 -13.972 4.957 1.00 51.54 O ATOM 424 CB VAL A 31 -1.363 -11.658 5.119 1.00 50.33 C ATOM 425 CG1 VAL A 31 -2.286 -10.772 5.982 1.00 53.21 C ATOM 426 CG2 VAL A 31 -0.021 -10.982 4.796 1.00 64.01 C ATOM 0 H VAL A 31 0.250 -12.095 7.188 1.00 44.31 H new ATOM 0 HA VAL A 31 -2.141 -13.320 6.093 1.00 54.12 H new ATOM 0 HB VAL A 31 -1.851 -11.834 4.160 1.00 50.33 H new ATOM 0 HG11 VAL A 31 -2.465 -9.827 5.470 1.00 53.21 H new ATOM 0 HG12 VAL A 31 -3.235 -11.283 6.143 1.00 53.21 H new ATOM 0 HG13 VAL A 31 -1.810 -10.579 6.944 1.00 53.21 H new ATOM 0 HG21 VAL A 31 -0.203 -10.048 4.265 1.00 64.01 H new ATOM 0 HG22 VAL A 31 0.514 -10.775 5.723 1.00 64.01 H new ATOM 0 HG23 VAL A 31 0.579 -11.644 4.171 1.00 64.01 H new ATOM 436 N ARG A 32 -1.123 -14.893 4.345 1.00 62.22 N ATOM 437 CA ARG A 32 -0.569 -16.089 3.695 1.00 50.33 C ATOM 438 C ARG A 32 0.469 -15.738 2.647 1.00 0.14 C ATOM 439 O ARG A 32 1.588 -16.248 2.693 1.00 75.32 O ATOM 440 CB ARG A 32 -1.645 -17.012 3.030 1.00 54.24 C ATOM 441 CG ARG A 32 -2.605 -17.720 4.031 1.00 41.44 C ATOM 442 CD ARG A 32 -3.578 -16.782 4.759 1.00 31.12 C ATOM 443 NE ARG A 32 -4.417 -17.580 5.718 1.00 44.11 N ATOM 444 CZ ARG A 32 -5.107 -16.947 6.738 1.00 2.52 C ATOM 445 NH1 ARG A 32 -5.041 -15.582 6.872 1.00 23.12 N ATOM 446 NH2 ARG A 32 -5.856 -17.678 7.605 1.00 24.24 N ATOM 0 H ARG A 32 -2.137 -14.819 4.263 1.00 62.22 H new ATOM 0 HA ARG A 32 -0.108 -16.643 4.513 1.00 50.33 H new ATOM 0 HB2 ARG A 32 -2.239 -16.414 2.339 1.00 54.24 H new ATOM 0 HB3 ARG A 32 -1.136 -17.772 2.437 1.00 54.24 H new ATOM 0 HG2 ARG A 32 -3.181 -18.471 3.491 1.00 41.44 H new ATOM 0 HG3 ARG A 32 -2.008 -18.249 4.774 1.00 41.44 H new ATOM 0 HD2 ARG A 32 -3.025 -16.012 5.296 1.00 31.12 H new ATOM 0 HD3 ARG A 32 -4.216 -16.271 4.038 1.00 31.12 H new ATOM 0 HE ARG A 32 -4.478 -18.593 5.617 1.00 44.11 H new ATOM 0 HH11 ARG A 32 -4.483 -15.032 6.219 1.00 23.12 H new ATOM 0 HH12 ARG A 32 -5.550 -15.118 7.624 1.00 23.12 H new ATOM 0 HH21 ARG A 32 -5.909 -18.692 7.504 1.00 24.24 H new ATOM 0 HH22 ARG A 32 -6.365 -17.213 8.357 1.00 24.24 H new ATOM 460 N HIS A 33 0.129 -14.895 1.657 1.00 14.32 N ATOM 461 CA HIS A 33 1.078 -14.626 0.565 1.00 53.13 C ATOM 462 C HIS A 33 2.007 -13.524 0.976 1.00 54.42 C ATOM 463 O HIS A 33 2.735 -12.999 0.147 1.00 41.40 O ATOM 464 CB HIS A 33 0.417 -14.186 -0.765 1.00 13.04 C ATOM 465 CG HIS A 33 -0.361 -15.275 -1.424 1.00 14.41 C ATOM 466 ND1 HIS A 33 0.224 -16.432 -1.860 1.00 63.20 N ATOM 467 CD2 HIS A 33 -1.670 -15.356 -1.706 1.00 22.31 C ATOM 468 CE1 HIS A 33 -0.722 -17.197 -2.393 1.00 42.14 C ATOM 469 NE2 HIS A 33 -1.884 -16.556 -2.305 1.00 25.43 N ATOM 0 H HIS A 33 -0.763 -14.404 1.590 1.00 14.32 H new ATOM 0 HA HIS A 33 1.589 -15.572 0.387 1.00 53.13 H new ATOM 0 HB2 HIS A 33 -0.244 -13.341 -0.572 1.00 13.04 H new ATOM 0 HB3 HIS A 33 1.190 -13.836 -1.449 1.00 13.04 H new ATOM 0 HD2 HIS A 33 -2.417 -14.605 -1.495 1.00 22.31 H new ATOM 0 HE1 HIS A 33 -0.573 -18.175 -2.825 1.00 42.14 H new ATOM 0 HE2 HIS A 33 -2.784 -16.907 -2.632 1.00 25.43 H new ATOM 478 N GLY A 34 2.018 -13.147 2.274 1.00 10.21 N ATOM 479 CA GLY A 34 2.916 -12.101 2.763 1.00 62.53 C ATOM 480 C GLY A 34 2.635 -10.798 2.053 1.00 60.41 C ATOM 481 O GLY A 34 3.511 -9.943 1.971 1.00 64.13 O ATOM 0 H GLY A 34 1.416 -13.554 2.990 1.00 10.21 H new ATOM 0 HA2 GLY A 34 2.786 -11.973 3.838 1.00 62.53 H new ATOM 0 HA3 GLY A 34 3.953 -12.396 2.600 1.00 62.53 H new ATOM 485 N GLY A 35 1.401 -10.640 1.503 1.00 53.20 N ATOM 486 CA GLY A 35 1.058 -9.469 0.712 1.00 53.35 C ATOM 487 C GLY A 35 1.150 -8.262 1.573 1.00 15.52 C ATOM 488 O GLY A 35 0.872 -8.318 2.768 1.00 45.21 O ATOM 0 H GLY A 35 0.644 -11.316 1.603 1.00 53.20 H new ATOM 0 HA2 GLY A 35 1.734 -9.378 -0.138 1.00 53.35 H new ATOM 0 HA3 GLY A 35 0.050 -9.568 0.309 1.00 53.35 H new ATOM 492 N ILE A 36 1.567 -7.126 0.978 1.00 53.31 N ATOM 493 CA ILE A 36 1.702 -5.915 1.721 1.00 4.13 C ATOM 494 C ILE A 36 0.324 -5.292 1.756 1.00 25.05 C ATOM 495 O ILE A 36 -0.080 -4.609 0.820 1.00 32.54 O ATOM 496 CB ILE A 36 2.705 -4.937 1.100 1.00 1.53 C ATOM 497 CG1 ILE A 36 4.085 -5.620 0.890 1.00 63.52 C ATOM 498 CG2 ILE A 36 2.802 -3.678 1.981 1.00 41.53 C ATOM 499 CD1 ILE A 36 4.749 -6.119 2.188 1.00 64.55 C ATOM 0 H ILE A 36 1.808 -7.050 -0.010 1.00 53.31 H new ATOM 0 HA ILE A 36 2.089 -6.137 2.716 1.00 4.13 H new ATOM 0 HB ILE A 36 2.358 -4.632 0.113 1.00 1.53 H new ATOM 0 HG12 ILE A 36 3.960 -6.464 0.212 1.00 63.52 H new ATOM 0 HG13 ILE A 36 4.756 -4.914 0.400 1.00 63.52 H new ATOM 0 HG21 ILE A 36 3.515 -2.980 1.542 1.00 41.53 H new ATOM 0 HG22 ILE A 36 1.823 -3.203 2.046 1.00 41.53 H new ATOM 0 HG23 ILE A 36 3.137 -3.958 2.980 1.00 41.53 H new ATOM 0 HD11 ILE A 36 5.707 -6.582 1.952 1.00 64.55 H new ATOM 0 HD12 ILE A 36 4.909 -5.277 2.862 1.00 64.55 H new ATOM 0 HD13 ILE A 36 4.101 -6.851 2.670 1.00 64.55 H new ATOM 511 N TYR A 37 -0.438 -5.554 2.828 1.00 12.23 N ATOM 512 CA TYR A 37 -1.782 -5.039 2.938 1.00 2.11 C ATOM 513 C TYR A 37 -1.692 -3.750 3.635 1.00 43.42 C ATOM 514 O TYR A 37 -0.906 -3.592 4.555 1.00 43.43 O ATOM 515 CB TYR A 37 -2.750 -5.908 3.796 1.00 14.44 C ATOM 516 CG TYR A 37 -3.273 -7.027 2.963 1.00 25.34 C ATOM 517 CD1 TYR A 37 -2.471 -8.144 2.665 1.00 20.10 C ATOM 518 CD2 TYR A 37 -4.598 -6.983 2.469 1.00 64.41 C ATOM 519 CE1 TYR A 37 -2.974 -9.192 1.883 1.00 45.24 C ATOM 520 CE2 TYR A 37 -5.105 -8.033 1.696 1.00 63.42 C ATOM 521 CZ TYR A 37 -4.294 -9.145 1.404 1.00 41.01 C ATOM 522 OH TYR A 37 -4.803 -10.219 0.651 1.00 12.11 O ATOM 0 H TYR A 37 -0.134 -6.119 3.621 1.00 12.23 H new ATOM 0 HA TYR A 37 -2.179 -5.000 1.924 1.00 2.11 H new ATOM 0 HB2 TYR A 37 -2.228 -6.301 4.668 1.00 14.44 H new ATOM 0 HB3 TYR A 37 -3.574 -5.298 4.166 1.00 14.44 H new ATOM 0 HD1 TYR A 37 -1.460 -8.194 3.042 1.00 20.10 H new ATOM 0 HD2 TYR A 37 -5.224 -6.131 2.691 1.00 64.41 H new ATOM 0 HE1 TYR A 37 -2.345 -10.038 1.648 1.00 45.24 H new ATOM 0 HE2 TYR A 37 -6.118 -7.990 1.324 1.00 63.42 H new ATOM 0 HH TYR A 37 -5.730 -10.030 0.397 1.00 12.11 H new ATOM 532 N VAL A 38 -2.538 -2.796 3.232 1.00 55.02 N ATOM 533 CA VAL A 38 -2.707 -1.575 3.956 1.00 62.23 C ATOM 534 C VAL A 38 -3.303 -1.954 5.300 1.00 53.31 C ATOM 535 O VAL A 38 -4.223 -2.778 5.384 1.00 62.32 O ATOM 536 CB VAL A 38 -3.599 -0.583 3.236 1.00 10.40 C ATOM 537 CG1 VAL A 38 -3.693 0.713 4.055 1.00 51.20 C ATOM 538 CG2 VAL A 38 -3.009 -0.345 1.825 1.00 55.22 C ATOM 0 H VAL A 38 -3.115 -2.868 2.394 1.00 55.02 H new ATOM 0 HA VAL A 38 -1.745 -1.074 4.063 1.00 62.23 H new ATOM 0 HB VAL A 38 -4.614 -0.966 3.128 1.00 10.40 H new ATOM 0 HG11 VAL A 38 -4.335 1.425 3.536 1.00 51.20 H new ATOM 0 HG12 VAL A 38 -4.114 0.494 5.036 1.00 51.20 H new ATOM 0 HG13 VAL A 38 -2.698 1.141 4.174 1.00 51.20 H new ATOM 0 HG21 VAL A 38 -3.633 0.367 1.285 1.00 55.22 H new ATOM 0 HG22 VAL A 38 -1.999 0.054 1.916 1.00 55.22 H new ATOM 0 HG23 VAL A 38 -2.979 -1.288 1.280 1.00 55.22 H new ATOM 548 N LYS A 39 -2.704 -1.417 6.365 1.00 51.23 N ATOM 549 CA LYS A 39 -2.955 -1.878 7.703 1.00 1.21 C ATOM 550 C LYS A 39 -3.863 -0.893 8.331 1.00 63.32 C ATOM 551 O LYS A 39 -4.844 -1.253 8.969 1.00 61.01 O ATOM 552 CB LYS A 39 -1.641 -1.881 8.522 1.00 22.11 C ATOM 553 CG LYS A 39 -1.771 -2.314 9.989 1.00 14.15 C ATOM 554 CD LYS A 39 -0.453 -2.142 10.756 1.00 42.13 C ATOM 555 CE LYS A 39 -0.591 -2.307 12.277 1.00 20.33 C ATOM 556 NZ LYS A 39 -0.898 -3.699 12.634 1.00 14.52 N ATOM 0 H LYS A 39 -2.033 -0.651 6.308 1.00 51.23 H new ATOM 0 HA LYS A 39 -3.374 -2.884 7.680 1.00 1.21 H new ATOM 0 HB2 LYS A 39 -0.929 -2.543 8.029 1.00 22.11 H new ATOM 0 HB3 LYS A 39 -1.215 -0.878 8.495 1.00 22.11 H new ATOM 0 HG2 LYS A 39 -2.552 -1.727 10.473 1.00 14.15 H new ATOM 0 HG3 LYS A 39 -2.083 -3.357 10.033 1.00 14.15 H new ATOM 0 HD2 LYS A 39 0.269 -2.870 10.386 1.00 42.13 H new ATOM 0 HD3 LYS A 39 -0.047 -1.153 10.543 1.00 42.13 H new ATOM 0 HE2 LYS A 39 0.334 -1.999 12.764 1.00 20.33 H new ATOM 0 HE3 LYS A 39 -1.379 -1.651 12.647 1.00 20.33 H new ATOM 0 HZ1 LYS A 39 -0.986 -3.781 13.667 1.00 14.52 H new ATOM 0 HZ2 LYS A 39 -1.793 -3.983 12.187 1.00 14.52 H new ATOM 0 HZ3 LYS A 39 -0.133 -4.320 12.301 1.00 14.52 H new ATOM 570 N ALA A 40 -3.519 0.383 8.180 1.00 0.20 N ATOM 571 CA ALA A 40 -4.244 1.418 8.833 1.00 5.41 C ATOM 572 C ALA A 40 -4.184 2.568 7.928 1.00 3.14 C ATOM 573 O ALA A 40 -3.230 2.711 7.156 1.00 15.34 O ATOM 574 CB ALA A 40 -3.624 1.865 10.181 1.00 52.10 C ATOM 0 H ALA A 40 -2.739 0.704 7.606 1.00 0.20 H new ATOM 0 HA ALA A 40 -5.247 1.053 9.052 1.00 5.41 H new ATOM 0 HB1 ALA A 40 -4.234 2.656 10.617 1.00 52.10 H new ATOM 0 HB2 ALA A 40 -3.588 1.016 10.864 1.00 52.10 H new ATOM 0 HB3 ALA A 40 -2.614 2.237 10.011 1.00 52.10 H new ATOM 580 N VAL A 41 -5.212 3.408 7.994 1.00 22.21 N ATOM 581 CA VAL A 41 -5.233 4.620 7.252 1.00 43.14 C ATOM 582 C VAL A 41 -5.695 5.644 8.241 1.00 20.54 C ATOM 583 O VAL A 41 -6.690 5.422 8.943 1.00 5.52 O ATOM 584 CB VAL A 41 -6.209 4.593 6.072 1.00 43.44 C ATOM 585 CG1 VAL A 41 -6.061 5.899 5.274 1.00 2.43 C ATOM 586 CG2 VAL A 41 -5.913 3.339 5.215 1.00 74.31 C ATOM 0 H VAL A 41 -6.041 3.250 8.567 1.00 22.21 H new ATOM 0 HA VAL A 41 -4.253 4.816 6.818 1.00 43.14 H new ATOM 0 HB VAL A 41 -7.243 4.530 6.410 1.00 43.44 H new ATOM 0 HG11 VAL A 41 -6.752 5.890 4.431 1.00 2.43 H new ATOM 0 HG12 VAL A 41 -6.287 6.748 5.920 1.00 2.43 H new ATOM 0 HG13 VAL A 41 -5.039 5.986 4.905 1.00 2.43 H new ATOM 0 HG21 VAL A 41 -6.600 3.305 4.370 1.00 74.31 H new ATOM 0 HG22 VAL A 41 -4.888 3.383 4.847 1.00 74.31 H new ATOM 0 HG23 VAL A 41 -6.042 2.444 5.823 1.00 74.31 H new ATOM 596 N ILE A 42 -4.971 6.782 8.349 1.00 32.02 N ATOM 597 CA ILE A 42 -5.378 7.838 9.283 1.00 72.51 C ATOM 598 C ILE A 42 -6.643 8.413 8.700 1.00 1.44 C ATOM 599 O ILE A 42 -6.780 8.478 7.476 1.00 50.45 O ATOM 600 CB ILE A 42 -4.332 8.988 9.441 1.00 41.34 C ATOM 601 CG1 ILE A 42 -2.928 8.450 9.607 1.00 61.45 C ATOM 602 CG2 ILE A 42 -4.705 9.888 10.617 1.00 32.21 C ATOM 603 CD1 ILE A 42 -2.773 7.493 10.725 1.00 74.52 C ATOM 0 H ILE A 42 -4.126 6.983 7.814 1.00 32.02 H new ATOM 0 HA ILE A 42 -5.494 7.409 10.278 1.00 72.51 H new ATOM 0 HB ILE A 42 -4.349 9.579 8.525 1.00 41.34 H new ATOM 0 HG12 ILE A 42 -2.627 7.961 8.681 1.00 61.45 H new ATOM 0 HG13 ILE A 42 -2.247 9.286 9.762 1.00 61.45 H new ATOM 0 HG21 ILE A 42 -3.967 10.684 10.714 1.00 32.21 H new ATOM 0 HG22 ILE A 42 -5.689 10.324 10.444 1.00 32.21 H new ATOM 0 HG23 ILE A 42 -4.726 9.299 11.534 1.00 32.21 H new ATOM 0 HD11 ILE A 42 -1.738 7.156 10.774 1.00 74.52 H new ATOM 0 HD12 ILE A 42 -3.041 7.982 11.662 1.00 74.52 H new ATOM 0 HD13 ILE A 42 -3.426 6.636 10.563 1.00 74.52 H new ATOM 615 N PRO A 43 -7.583 8.846 9.557 1.00 12.44 N ATOM 616 CA PRO A 43 -8.711 9.640 9.123 1.00 34.11 C ATOM 617 C PRO A 43 -8.180 10.857 8.389 1.00 11.43 C ATOM 618 O PRO A 43 -7.415 11.634 8.971 1.00 11.42 O ATOM 619 CB PRO A 43 -9.472 9.995 10.424 1.00 30.23 C ATOM 620 CG PRO A 43 -8.478 9.695 11.563 1.00 4.55 C ATOM 621 CD PRO A 43 -7.621 8.568 10.997 1.00 42.43 C ATOM 0 HA PRO A 43 -9.383 9.132 8.432 1.00 34.11 H new ATOM 0 HB2 PRO A 43 -9.775 11.042 10.431 1.00 30.23 H new ATOM 0 HB3 PRO A 43 -10.379 9.400 10.525 1.00 30.23 H new ATOM 0 HG2 PRO A 43 -7.877 10.570 11.813 1.00 4.55 H new ATOM 0 HG3 PRO A 43 -8.992 9.390 12.475 1.00 4.55 H new ATOM 0 HD2 PRO A 43 -6.621 8.569 11.431 1.00 42.43 H new ATOM 0 HD3 PRO A 43 -8.057 7.591 11.204 1.00 42.43 H new ATOM 629 N GLN A 44 -8.536 10.974 7.100 1.00 32.20 N ATOM 630 CA GLN A 44 -8.045 12.011 6.216 1.00 1.34 C ATOM 631 C GLN A 44 -6.527 11.967 6.086 1.00 45.43 C ATOM 632 O GLN A 44 -5.910 12.993 5.795 1.00 2.23 O ATOM 633 CB GLN A 44 -8.495 13.450 6.573 1.00 43.22 C ATOM 634 CG GLN A 44 -10.020 13.632 6.533 1.00 72.20 C ATOM 635 CD GLN A 44 -10.327 15.101 6.793 1.00 71.21 C ATOM 636 OE1 GLN A 44 -9.489 15.840 7.326 1.00 73.33 O ATOM 637 NE2 GLN A 44 -11.535 15.544 6.423 1.00 51.22 N ATOM 0 H GLN A 44 -9.186 10.332 6.647 1.00 32.20 H new ATOM 0 HA GLN A 44 -8.510 11.778 5.258 1.00 1.34 H new ATOM 0 HB2 GLN A 44 -8.131 13.701 7.569 1.00 43.22 H new ATOM 0 HB3 GLN A 44 -8.033 14.152 5.878 1.00 43.22 H new ATOM 0 HG2 GLN A 44 -10.415 13.326 5.564 1.00 72.20 H new ATOM 0 HG3 GLN A 44 -10.498 13.004 7.285 1.00 72.20 H new ATOM 0 HE21 GLN A 44 -12.200 14.906 5.986 1.00 51.22 H new ATOM 0 HE22 GLN A 44 -11.790 16.519 6.578 1.00 51.22 H new ATOM 646 N GLY A 45 -5.879 10.757 6.221 1.00 51.13 N ATOM 647 CA GLY A 45 -4.488 10.645 5.830 1.00 44.40 C ATOM 648 C GLY A 45 -4.463 10.602 4.322 1.00 1.42 C ATOM 649 O GLY A 45 -5.500 10.767 3.667 1.00 62.53 O ATOM 0 H GLY A 45 -6.302 9.903 6.583 1.00 51.13 H new ATOM 0 HA2 GLY A 45 -3.912 11.492 6.202 1.00 44.40 H new ATOM 0 HA3 GLY A 45 -4.039 9.745 6.250 1.00 44.40 H new ATOM 653 N ALA A 46 -3.273 10.380 3.731 1.00 32.25 N ATOM 654 CA ALA A 46 -3.097 10.502 2.287 1.00 11.43 C ATOM 655 C ALA A 46 -3.999 9.535 1.565 1.00 5.42 C ATOM 656 O ALA A 46 -4.709 9.920 0.646 1.00 75.24 O ATOM 657 CB ALA A 46 -1.650 10.219 1.833 1.00 22.31 C ATOM 0 H ALA A 46 -2.427 10.117 4.237 1.00 32.25 H new ATOM 0 HA ALA A 46 -3.345 11.535 2.042 1.00 11.43 H new ATOM 0 HB1 ALA A 46 -1.581 10.325 0.750 1.00 22.31 H new ATOM 0 HB2 ALA A 46 -0.974 10.928 2.311 1.00 22.31 H new ATOM 0 HB3 ALA A 46 -1.372 9.204 2.117 1.00 22.31 H new ATOM 663 N ALA A 47 -3.972 8.244 1.974 1.00 35.25 N ATOM 664 CA ALA A 47 -4.708 7.203 1.250 1.00 33.25 C ATOM 665 C ALA A 47 -6.189 7.487 1.311 1.00 44.34 C ATOM 666 O ALA A 47 -6.872 7.416 0.308 1.00 40.20 O ATOM 667 CB ALA A 47 -4.466 5.779 1.796 1.00 53.20 C ATOM 0 H ALA A 47 -3.455 7.911 2.788 1.00 35.25 H new ATOM 0 HA ALA A 47 -4.336 7.231 0.226 1.00 33.25 H new ATOM 0 HB1 ALA A 47 -5.043 5.062 1.211 1.00 53.20 H new ATOM 0 HB2 ALA A 47 -3.406 5.537 1.723 1.00 53.20 H new ATOM 0 HB3 ALA A 47 -4.778 5.731 2.839 1.00 53.20 H new ATOM 673 N GLU A 48 -6.706 7.837 2.512 1.00 53.21 N ATOM 674 CA GLU A 48 -8.143 8.066 2.687 1.00 12.55 C ATOM 675 C GLU A 48 -8.554 9.269 1.874 1.00 72.43 C ATOM 676 O GLU A 48 -9.618 9.287 1.267 1.00 51.41 O ATOM 677 CB GLU A 48 -8.557 8.314 4.162 1.00 65.44 C ATOM 678 CG GLU A 48 -10.073 8.509 4.344 1.00 73.43 C ATOM 679 CD GLU A 48 -10.368 8.563 5.810 1.00 32.15 C ATOM 680 OE1 GLU A 48 -10.139 7.550 6.498 1.00 1.51 O ATOM 681 OE2 GLU A 48 -10.829 9.615 6.292 1.00 31.53 O ATOM 0 H GLU A 48 -6.151 7.963 3.358 1.00 53.21 H new ATOM 0 HA GLU A 48 -8.644 7.157 2.355 1.00 12.55 H new ATOM 0 HB2 GLU A 48 -8.230 7.471 4.770 1.00 65.44 H new ATOM 0 HB3 GLU A 48 -8.037 9.196 4.535 1.00 65.44 H new ATOM 0 HG2 GLU A 48 -10.399 9.428 3.857 1.00 73.43 H new ATOM 0 HG3 GLU A 48 -10.620 7.690 3.877 1.00 73.43 H new ATOM 688 N SER A 49 -7.702 10.299 1.842 1.00 15.14 N ATOM 689 CA SER A 49 -8.014 11.516 1.126 1.00 51.52 C ATOM 690 C SER A 49 -8.097 11.192 -0.364 1.00 11.24 C ATOM 691 O SER A 49 -9.025 11.628 -1.064 1.00 13.03 O ATOM 692 CB SER A 49 -6.942 12.608 1.365 1.00 53.43 C ATOM 693 OG SER A 49 -7.387 13.875 0.896 1.00 12.31 O ATOM 0 H SER A 49 -6.794 10.303 2.307 1.00 15.14 H new ATOM 0 HA SER A 49 -8.965 11.905 1.490 1.00 51.52 H new ATOM 0 HB2 SER A 49 -6.713 12.671 2.429 1.00 53.43 H new ATOM 0 HB3 SER A 49 -6.018 12.333 0.856 1.00 53.43 H new ATOM 0 HG SER A 49 -6.693 14.547 1.060 1.00 12.31 H new ATOM 699 N ASP A 50 -7.142 10.365 -0.855 1.00 40.11 N ATOM 700 CA ASP A 50 -7.134 9.967 -2.274 1.00 70.11 C ATOM 701 C ASP A 50 -8.378 9.149 -2.523 1.00 60.45 C ATOM 702 O ASP A 50 -9.058 9.317 -3.520 1.00 54.32 O ATOM 703 CB ASP A 50 -5.898 9.129 -2.703 1.00 64.42 C ATOM 704 CG ASP A 50 -5.936 8.949 -4.226 1.00 64.13 C ATOM 705 OD1 ASP A 50 -6.073 9.973 -4.944 1.00 60.44 O ATOM 706 OD2 ASP A 50 -5.823 7.807 -4.706 1.00 34.25 O ATOM 0 H ASP A 50 -6.384 9.970 -0.298 1.00 40.11 H new ATOM 0 HA ASP A 50 -7.096 10.883 -2.863 1.00 70.11 H new ATOM 0 HB2 ASP A 50 -4.978 9.631 -2.404 1.00 64.42 H new ATOM 0 HB3 ASP A 50 -5.908 8.159 -2.207 1.00 64.42 H new ATOM 711 N GLY A 51 -8.729 8.287 -1.555 1.00 44.04 N ATOM 712 CA GLY A 51 -9.981 7.548 -1.597 1.00 3.52 C ATOM 713 C GLY A 51 -9.847 6.334 -2.457 1.00 22.23 C ATOM 714 O GLY A 51 -10.703 5.470 -2.438 1.00 1.14 O ATOM 0 H GLY A 51 -8.155 8.091 -0.735 1.00 44.04 H new ATOM 0 HA2 GLY A 51 -10.271 7.255 -0.588 1.00 3.52 H new ATOM 0 HA3 GLY A 51 -10.774 8.188 -1.983 1.00 3.52 H new ATOM 718 N ARG A 52 -8.794 6.255 -3.271 1.00 64.51 N ATOM 719 CA ARG A 52 -8.648 5.135 -4.172 1.00 45.14 C ATOM 720 C ARG A 52 -8.065 3.975 -3.405 1.00 32.20 C ATOM 721 O ARG A 52 -8.464 2.827 -3.604 1.00 21.42 O ATOM 722 CB ARG A 52 -7.759 5.448 -5.380 1.00 5.31 C ATOM 723 CG ARG A 52 -7.778 4.362 -6.463 1.00 31.55 C ATOM 724 CD ARG A 52 -7.061 4.776 -7.757 1.00 53.35 C ATOM 725 NE ARG A 52 -7.835 5.890 -8.418 1.00 12.31 N ATOM 726 CZ ARG A 52 -7.416 7.226 -8.390 1.00 41.32 C ATOM 727 NH1 ARG A 52 -6.436 7.658 -7.511 1.00 53.24 N ATOM 728 NH2 ARG A 52 -7.991 8.115 -9.243 1.00 55.21 N ATOM 0 H ARG A 52 -8.046 6.946 -3.318 1.00 64.51 H new ATOM 0 HA ARG A 52 -9.636 4.895 -4.564 1.00 45.14 H new ATOM 0 HB2 ARG A 52 -8.080 6.392 -5.820 1.00 5.31 H new ATOM 0 HB3 ARG A 52 -6.734 5.588 -5.038 1.00 5.31 H new ATOM 0 HG2 ARG A 52 -7.310 3.460 -6.070 1.00 31.55 H new ATOM 0 HG3 ARG A 52 -8.813 4.109 -6.695 1.00 31.55 H new ATOM 0 HD2 ARG A 52 -6.046 5.104 -7.535 1.00 53.35 H new ATOM 0 HD3 ARG A 52 -6.980 3.923 -8.431 1.00 53.35 H new ATOM 0 HE ARG A 52 -8.701 5.660 -8.906 1.00 12.31 H new ATOM 0 HH11 ARG A 52 -6.003 6.998 -6.865 1.00 53.24 H new ATOM 0 HH12 ARG A 52 -6.148 8.636 -7.510 1.00 53.24 H new ATOM 0 HH21 ARG A 52 -8.716 7.805 -9.890 1.00 55.21 H new ATOM 0 HH22 ARG A 52 -7.698 9.092 -9.236 1.00 55.21 H new ATOM 742 N ILE A 53 -7.118 4.257 -2.499 1.00 31.11 N ATOM 743 CA ILE A 53 -6.503 3.202 -1.725 1.00 32.53 C ATOM 744 C ILE A 53 -7.153 3.251 -0.364 1.00 33.04 C ATOM 745 O ILE A 53 -7.341 4.327 0.202 1.00 52.34 O ATOM 746 CB ILE A 53 -4.996 3.312 -1.636 1.00 41.14 C ATOM 747 CG1 ILE A 53 -4.436 3.206 -3.077 1.00 31.42 C ATOM 748 CG2 ILE A 53 -4.450 2.198 -0.703 1.00 62.24 C ATOM 749 CD1 ILE A 53 -2.937 3.005 -3.140 1.00 63.41 C ATOM 0 H ILE A 53 -6.774 5.196 -2.296 1.00 31.11 H new ATOM 0 HA ILE A 53 -6.664 2.241 -2.214 1.00 32.53 H new ATOM 0 HB ILE A 53 -4.683 4.264 -1.206 1.00 41.14 H new ATOM 0 HG12 ILE A 53 -4.926 2.376 -3.586 1.00 31.42 H new ATOM 0 HG13 ILE A 53 -4.694 4.113 -3.624 1.00 31.42 H new ATOM 0 HG21 ILE A 53 -3.365 2.277 -0.639 1.00 62.24 H new ATOM 0 HG22 ILE A 53 -4.882 2.312 0.291 1.00 62.24 H new ATOM 0 HG23 ILE A 53 -4.720 1.222 -1.106 1.00 62.24 H new ATOM 0 HD11 ILE A 53 -2.622 2.940 -4.181 1.00 63.41 H new ATOM 0 HD12 ILE A 53 -2.437 3.847 -2.661 1.00 63.41 H new ATOM 0 HD13 ILE A 53 -2.671 2.083 -2.623 1.00 63.41 H new ATOM 761 N HIS A 54 -7.566 2.077 0.152 1.00 64.13 N ATOM 762 CA HIS A 54 -8.263 2.000 1.414 1.00 22.21 C ATOM 763 C HIS A 54 -7.520 1.024 2.249 1.00 24.15 C ATOM 764 O HIS A 54 -6.536 0.436 1.813 1.00 10.25 O ATOM 765 CB HIS A 54 -9.701 1.443 1.270 1.00 44.23 C ATOM 766 CG HIS A 54 -10.558 2.281 0.390 1.00 75.23 C ATOM 767 ND1 HIS A 54 -11.147 1.987 -0.778 1.00 44.55 N flip ATOM 768 CD2 HIS A 54 -10.859 3.576 0.685 1.00 33.11 C flip ATOM 769 CE1 HIS A 54 -11.809 3.104 -1.185 1.00 61.01 C flip ATOM 770 NE2 HIS A 54 -11.621 4.053 -0.283 1.00 44.31 N flip ATOM 0 H HIS A 54 -7.420 1.175 -0.302 1.00 64.13 H new ATOM 0 HA HIS A 54 -8.320 3.004 1.835 1.00 22.21 H new ATOM 0 HB2 HIS A 54 -9.655 0.431 0.868 1.00 44.23 H new ATOM 0 HB3 HIS A 54 -10.159 1.374 2.257 1.00 44.23 H new ATOM 0 HD2 HIS A 54 -10.531 4.119 1.559 1.00 33.11 H new ATOM 0 HE1 HIS A 54 -12.389 3.199 -2.091 1.00 61.01 H new ATOM 0 HE2 HIS A 54 -12.002 4.998 -0.328 1.00 44.31 H new ATOM 779 N LYS A 55 -7.995 0.806 3.498 1.00 63.40 N ATOM 780 CA LYS A 55 -7.506 -0.293 4.304 1.00 63.53 C ATOM 781 C LYS A 55 -7.998 -1.544 3.619 1.00 21.45 C ATOM 782 O LYS A 55 -9.082 -1.542 3.053 1.00 2.14 O ATOM 783 CB LYS A 55 -8.026 -0.242 5.773 1.00 2.13 C ATOM 784 CG LYS A 55 -7.404 -1.276 6.751 1.00 60.33 C ATOM 785 CD LYS A 55 -8.124 -2.642 6.828 1.00 21.20 C ATOM 786 CE LYS A 55 -9.571 -2.552 7.355 1.00 14.22 C ATOM 787 NZ LYS A 55 -10.151 -3.895 7.534 1.00 70.24 N ATOM 0 H LYS A 55 -8.708 1.380 3.949 1.00 63.40 H new ATOM 0 HA LYS A 55 -6.419 -0.252 4.379 1.00 63.53 H new ATOM 0 HB2 LYS A 55 -7.843 0.757 6.168 1.00 2.13 H new ATOM 0 HB3 LYS A 55 -9.106 -0.387 5.760 1.00 2.13 H new ATOM 0 HG2 LYS A 55 -6.368 -1.448 6.459 1.00 60.33 H new ATOM 0 HG3 LYS A 55 -7.385 -0.839 7.749 1.00 60.33 H new ATOM 0 HD2 LYS A 55 -8.136 -3.093 5.836 1.00 21.20 H new ATOM 0 HD3 LYS A 55 -7.552 -3.308 7.474 1.00 21.20 H new ATOM 0 HE2 LYS A 55 -9.584 -2.017 8.304 1.00 14.22 H new ATOM 0 HE3 LYS A 55 -10.181 -1.978 6.657 1.00 14.22 H new ATOM 0 HZ1 LYS A 55 -11.125 -3.808 7.889 1.00 70.24 H new ATOM 0 HZ2 LYS A 55 -10.159 -4.394 6.622 1.00 70.24 H new ATOM 0 HZ3 LYS A 55 -9.580 -4.432 8.218 1.00 70.24 H new ATOM 801 N GLY A 56 -7.212 -2.631 3.622 1.00 14.31 N ATOM 802 CA GLY A 56 -7.676 -3.849 2.991 1.00 44.45 C ATOM 803 C GLY A 56 -7.006 -3.972 1.670 1.00 21.53 C ATOM 804 O GLY A 56 -6.875 -5.076 1.146 1.00 70.21 O ATOM 0 H GLY A 56 -6.284 -2.682 4.043 1.00 14.31 H new ATOM 0 HA2 GLY A 56 -7.446 -4.712 3.616 1.00 44.45 H new ATOM 0 HA3 GLY A 56 -8.759 -3.824 2.867 1.00 44.45 H new ATOM 808 N ASP A 57 -6.554 -2.820 1.092 1.00 74.21 N ATOM 809 CA ASP A 57 -5.866 -2.830 -0.201 1.00 11.52 C ATOM 810 C ASP A 57 -4.571 -3.519 -0.011 1.00 53.01 C ATOM 811 O ASP A 57 -4.028 -3.527 1.080 1.00 1.42 O ATOM 812 CB ASP A 57 -5.564 -1.417 -0.775 1.00 21.32 C ATOM 813 CG ASP A 57 -6.650 -1.061 -1.765 1.00 31.51 C ATOM 814 OD1 ASP A 57 -6.745 -1.738 -2.810 1.00 73.32 O ATOM 815 OD2 ASP A 57 -7.412 -0.101 -1.514 1.00 61.22 O ATOM 0 H ASP A 57 -6.660 -1.894 1.507 1.00 74.21 H new ATOM 0 HA ASP A 57 -6.528 -3.327 -0.910 1.00 11.52 H new ATOM 0 HB2 ASP A 57 -5.527 -0.681 0.028 1.00 21.32 H new ATOM 0 HB3 ASP A 57 -4.589 -1.406 -1.262 1.00 21.32 H new ATOM 820 N ARG A 58 -4.051 -4.143 -1.083 1.00 34.53 N ATOM 821 CA ARG A 58 -2.800 -4.836 -0.988 1.00 11.52 C ATOM 822 C ARG A 58 -1.944 -4.340 -2.100 1.00 4.34 C ATOM 823 O ARG A 58 -2.387 -4.199 -3.240 1.00 32.25 O ATOM 824 CB ARG A 58 -2.890 -6.399 -1.001 1.00 34.52 C ATOM 825 CG ARG A 58 -4.073 -7.005 -1.798 1.00 34.32 C ATOM 826 CD ARG A 58 -3.913 -7.005 -3.323 1.00 4.30 C ATOM 827 NE ARG A 58 -2.692 -7.832 -3.673 1.00 15.13 N ATOM 828 CZ ARG A 58 -2.702 -8.759 -4.705 1.00 13.22 C ATOM 829 NH1 ARG A 58 -3.830 -8.951 -5.465 1.00 12.13 N ATOM 830 NH2 ARG A 58 -1.577 -9.477 -4.977 1.00 15.25 N ATOM 0 H ARG A 58 -4.488 -4.169 -2.004 1.00 34.53 H new ATOM 0 HA ARG A 58 -2.376 -4.619 -0.007 1.00 11.52 H new ATOM 0 HB2 ARG A 58 -1.961 -6.793 -1.413 1.00 34.52 H new ATOM 0 HB3 ARG A 58 -2.956 -6.748 0.030 1.00 34.52 H new ATOM 0 HG2 ARG A 58 -4.223 -8.032 -1.466 1.00 34.32 H new ATOM 0 HG3 ARG A 58 -4.978 -6.453 -1.546 1.00 34.32 H new ATOM 0 HD2 ARG A 58 -4.802 -7.420 -3.798 1.00 4.30 H new ATOM 0 HD3 ARG A 58 -3.800 -5.986 -3.693 1.00 4.30 H new ATOM 0 HE ARG A 58 -1.836 -7.703 -3.133 1.00 15.13 H new ATOM 0 HH11 ARG A 58 -4.673 -8.409 -5.273 1.00 12.13 H new ATOM 0 HH12 ARG A 58 -3.825 -9.636 -6.221 1.00 12.13 H new ATOM 0 HH21 ARG A 58 -0.733 -9.332 -4.423 1.00 15.25 H new ATOM 0 HH22 ARG A 58 -1.579 -10.160 -5.735 1.00 15.25 H new ATOM 844 N VAL A 59 -0.709 -3.994 -1.749 1.00 3.12 N ATOM 845 CA VAL A 59 0.219 -3.390 -2.639 1.00 33.51 C ATOM 846 C VAL A 59 1.197 -4.478 -2.989 1.00 34.41 C ATOM 847 O VAL A 59 1.412 -5.405 -2.198 1.00 73.23 O ATOM 848 CB VAL A 59 0.968 -2.220 -1.971 1.00 30.51 C ATOM 849 CG1 VAL A 59 1.827 -1.471 -3.016 1.00 72.31 C ATOM 850 CG2 VAL A 59 -0.081 -1.298 -1.298 1.00 61.31 C ATOM 0 H VAL A 59 -0.338 -4.138 -0.810 1.00 3.12 H new ATOM 0 HA VAL A 59 -0.290 -2.979 -3.511 1.00 33.51 H new ATOM 0 HB VAL A 59 1.655 -2.582 -1.207 1.00 30.51 H new ATOM 0 HG11 VAL A 59 2.351 -0.647 -2.533 1.00 72.31 H new ATOM 0 HG12 VAL A 59 2.553 -2.158 -3.450 1.00 72.31 H new ATOM 0 HG13 VAL A 59 1.183 -1.079 -3.803 1.00 72.31 H new ATOM 0 HG21 VAL A 59 0.425 -0.461 -0.817 1.00 61.31 H new ATOM 0 HG22 VAL A 59 -0.771 -0.920 -2.053 1.00 61.31 H new ATOM 0 HG23 VAL A 59 -0.636 -1.864 -0.550 1.00 61.31 H new ATOM 860 N LEU A 60 1.776 -4.412 -4.193 1.00 34.23 N ATOM 861 CA LEU A 60 2.810 -5.352 -4.558 1.00 43.14 C ATOM 862 C LEU A 60 4.073 -4.580 -4.748 1.00 62.24 C ATOM 863 O LEU A 60 5.124 -4.976 -4.242 1.00 44.24 O ATOM 864 CB LEU A 60 2.544 -6.195 -5.825 1.00 64.25 C ATOM 865 CG LEU A 60 1.789 -5.504 -6.958 1.00 72.11 C ATOM 866 CD1 LEU A 60 2.184 -6.070 -8.309 1.00 15.54 C ATOM 867 CD2 LEU A 60 0.279 -5.569 -6.758 1.00 53.11 C ATOM 0 H LEU A 60 1.543 -3.726 -4.911 1.00 34.23 H new ATOM 0 HA LEU A 60 2.859 -6.079 -3.747 1.00 43.14 H new ATOM 0 HB2 LEU A 60 3.503 -6.538 -6.214 1.00 64.25 H new ATOM 0 HB3 LEU A 60 1.983 -7.082 -5.533 1.00 64.25 H new ATOM 0 HG LEU A 60 2.074 -4.452 -6.937 1.00 72.11 H new ATOM 0 HD11 LEU A 60 1.629 -5.557 -9.095 1.00 15.54 H new ATOM 0 HD12 LEU A 60 3.253 -5.925 -8.466 1.00 15.54 H new ATOM 0 HD13 LEU A 60 1.954 -7.135 -8.339 1.00 15.54 H new ATOM 0 HD21 LEU A 60 -0.220 -5.066 -7.586 1.00 53.11 H new ATOM 0 HD22 LEU A 60 -0.039 -6.611 -6.722 1.00 53.11 H new ATOM 0 HD23 LEU A 60 0.014 -5.077 -5.822 1.00 53.11 H new ATOM 879 N ALA A 61 4.013 -3.455 -5.479 1.00 53.32 N ATOM 880 CA ALA A 61 5.239 -2.745 -5.775 1.00 61.22 C ATOM 881 C ALA A 61 5.072 -1.317 -5.425 1.00 42.43 C ATOM 882 O ALA A 61 3.960 -0.807 -5.284 1.00 4.34 O ATOM 883 CB ALA A 61 5.680 -2.824 -7.251 1.00 20.33 C ATOM 0 H ALA A 61 3.160 -3.041 -5.856 1.00 53.32 H new ATOM 0 HA ALA A 61 6.014 -3.231 -5.182 1.00 61.22 H new ATOM 0 HB1 ALA A 61 6.606 -2.265 -7.384 1.00 20.33 H new ATOM 0 HB2 ALA A 61 5.842 -3.866 -7.527 1.00 20.33 H new ATOM 0 HB3 ALA A 61 4.904 -2.397 -7.886 1.00 20.33 H new ATOM 889 N VAL A 62 6.228 -0.668 -5.246 1.00 20.33 N ATOM 890 CA VAL A 62 6.298 0.690 -4.805 1.00 23.53 C ATOM 891 C VAL A 62 7.377 1.302 -5.631 1.00 71.22 C ATOM 892 O VAL A 62 8.547 1.017 -5.445 1.00 53.42 O ATOM 893 CB VAL A 62 6.654 0.848 -3.323 1.00 52.23 C ATOM 894 CG1 VAL A 62 6.677 2.356 -2.958 1.00 54.24 C ATOM 895 CG2 VAL A 62 5.622 0.047 -2.492 1.00 51.14 C ATOM 0 H VAL A 62 7.140 -1.094 -5.411 1.00 20.33 H new ATOM 0 HA VAL A 62 5.321 1.160 -4.917 1.00 23.53 H new ATOM 0 HB VAL A 62 7.646 0.454 -3.104 1.00 52.23 H new ATOM 0 HG11 VAL A 62 6.930 2.471 -1.904 1.00 54.24 H new ATOM 0 HG12 VAL A 62 7.422 2.867 -3.568 1.00 54.24 H new ATOM 0 HG13 VAL A 62 5.695 2.791 -3.145 1.00 54.24 H new ATOM 0 HG21 VAL A 62 5.855 0.144 -1.432 1.00 51.14 H new ATOM 0 HG22 VAL A 62 4.622 0.436 -2.681 1.00 51.14 H new ATOM 0 HG23 VAL A 62 5.662 -1.004 -2.777 1.00 51.14 H new ATOM 905 N ASN A 63 6.973 2.145 -6.577 1.00 4.32 N ATOM 906 CA ASN A 63 7.870 2.841 -7.502 1.00 10.51 C ATOM 907 C ASN A 63 8.827 1.871 -8.185 1.00 40.13 C ATOM 908 O ASN A 63 9.980 2.195 -8.450 1.00 71.42 O ATOM 909 CB ASN A 63 8.659 4.016 -6.859 1.00 64.34 C ATOM 910 CG ASN A 63 9.081 4.992 -7.964 1.00 11.24 C ATOM 911 OD1 ASN A 63 8.240 5.452 -8.749 1.00 12.21 O ATOM 912 ND2 ASN A 63 10.371 5.337 -8.029 1.00 51.45 N ATOM 0 H ASN A 63 5.990 2.370 -6.727 1.00 4.32 H new ATOM 0 HA ASN A 63 7.215 3.287 -8.250 1.00 10.51 H new ATOM 0 HB2 ASN A 63 8.041 4.526 -6.121 1.00 64.34 H new ATOM 0 HB3 ASN A 63 9.536 3.639 -6.334 1.00 64.34 H new ATOM 0 HD21 ASN A 63 10.687 5.997 -8.740 1.00 51.45 H new ATOM 0 HD22 ASN A 63 11.039 4.940 -7.368 1.00 51.45 H new ATOM 919 N GLY A 64 8.337 0.654 -8.510 1.00 73.14 N ATOM 920 CA GLY A 64 9.117 -0.282 -9.299 1.00 23.13 C ATOM 921 C GLY A 64 9.943 -1.140 -8.391 1.00 45.34 C ATOM 922 O GLY A 64 10.784 -1.916 -8.856 1.00 52.24 O ATOM 0 H GLY A 64 7.415 0.314 -8.235 1.00 73.14 H new ATOM 0 HA2 GLY A 64 8.456 -0.905 -9.902 1.00 23.13 H new ATOM 0 HA3 GLY A 64 9.762 0.260 -9.990 1.00 23.13 H new ATOM 926 N VAL A 65 9.730 -1.034 -7.071 1.00 23.03 N ATOM 927 CA VAL A 65 10.494 -1.803 -6.145 1.00 34.51 C ATOM 928 C VAL A 65 9.598 -2.916 -5.737 1.00 21.22 C ATOM 929 O VAL A 65 8.495 -2.679 -5.233 1.00 34.34 O ATOM 930 CB VAL A 65 10.917 -1.019 -4.902 1.00 61.32 C ATOM 931 CG1 VAL A 65 11.765 -1.930 -3.982 1.00 12.11 C ATOM 932 CG2 VAL A 65 11.684 0.239 -5.371 1.00 14.31 C ATOM 0 H VAL A 65 9.034 -0.421 -6.647 1.00 23.03 H new ATOM 0 HA VAL A 65 11.421 -2.129 -6.616 1.00 34.51 H new ATOM 0 HB VAL A 65 10.056 -0.696 -4.317 1.00 61.32 H new ATOM 0 HG11 VAL A 65 12.067 -1.372 -3.096 1.00 12.11 H new ATOM 0 HG12 VAL A 65 11.174 -2.795 -3.682 1.00 12.11 H new ATOM 0 HG13 VAL A 65 12.652 -2.265 -4.519 1.00 12.11 H new ATOM 0 HG21 VAL A 65 11.998 0.818 -4.503 1.00 14.31 H new ATOM 0 HG22 VAL A 65 12.561 -0.062 -5.943 1.00 14.31 H new ATOM 0 HG23 VAL A 65 11.034 0.849 -5.998 1.00 14.31 H new ATOM 942 N SER A 66 10.043 -4.163 -5.978 1.00 71.24 N ATOM 943 CA SER A 66 9.327 -5.311 -5.498 1.00 21.25 C ATOM 944 C SER A 66 9.455 -5.299 -4.000 1.00 71.44 C ATOM 945 O SER A 66 10.538 -5.525 -3.450 1.00 65.11 O ATOM 946 CB SER A 66 9.874 -6.648 -6.028 1.00 63.13 C ATOM 947 OG SER A 66 9.806 -6.673 -7.462 1.00 4.14 O ATOM 0 H SER A 66 10.892 -4.378 -6.501 1.00 71.24 H new ATOM 0 HA SER A 66 8.296 -5.244 -5.846 1.00 21.25 H new ATOM 0 HB2 SER A 66 10.905 -6.783 -5.702 1.00 63.13 H new ATOM 0 HB3 SER A 66 9.298 -7.476 -5.614 1.00 63.13 H new ATOM 0 HG SER A 66 10.158 -7.526 -7.791 1.00 4.14 H new ATOM 953 N LEU A 67 8.351 -4.952 -3.324 1.00 40.41 N ATOM 954 CA LEU A 67 8.358 -4.771 -1.890 1.00 11.41 C ATOM 955 C LEU A 67 8.378 -6.113 -1.225 1.00 43.14 C ATOM 956 O LEU A 67 8.784 -6.230 -0.077 1.00 43.13 O ATOM 957 CB LEU A 67 7.123 -3.984 -1.379 1.00 21.30 C ATOM 958 CG LEU A 67 7.490 -2.765 -0.509 1.00 72.33 C ATOM 959 CD1 LEU A 67 8.080 -3.155 0.853 1.00 3.31 C ATOM 960 CD2 LEU A 67 8.378 -1.759 -1.253 1.00 42.44 C ATOM 0 H LEU A 67 7.444 -4.793 -3.762 1.00 40.41 H new ATOM 0 HA LEU A 67 9.247 -4.191 -1.643 1.00 11.41 H new ATOM 0 HB2 LEU A 67 6.537 -3.647 -2.234 1.00 21.30 H new ATOM 0 HB3 LEU A 67 6.487 -4.655 -0.801 1.00 21.30 H new ATOM 0 HG LEU A 67 6.547 -2.259 -0.299 1.00 72.33 H new ATOM 0 HD11 LEU A 67 8.318 -2.254 1.418 1.00 3.31 H new ATOM 0 HD12 LEU A 67 7.354 -3.750 1.407 1.00 3.31 H new ATOM 0 HD13 LEU A 67 8.988 -3.739 0.702 1.00 3.31 H new ATOM 0 HD21 LEU A 67 8.607 -0.920 -0.596 1.00 42.44 H new ATOM 0 HD22 LEU A 67 9.305 -2.246 -1.556 1.00 42.44 H new ATOM 0 HD23 LEU A 67 7.854 -1.395 -2.137 1.00 42.44 H new ATOM 972 N GLU A 68 7.947 -7.174 -1.950 1.00 64.12 N ATOM 973 CA GLU A 68 7.950 -8.514 -1.393 1.00 25.40 C ATOM 974 C GLU A 68 9.358 -8.870 -0.969 1.00 45.22 C ATOM 975 O GLU A 68 10.348 -8.418 -1.568 1.00 60.42 O ATOM 976 CB GLU A 68 7.389 -9.607 -2.322 1.00 34.22 C ATOM 977 CG GLU A 68 5.892 -9.404 -2.618 1.00 14.24 C ATOM 978 CD GLU A 68 5.399 -10.516 -3.513 1.00 25.32 C ATOM 979 OE1 GLU A 68 6.175 -11.456 -3.815 1.00 4.03 O ATOM 980 OE2 GLU A 68 4.222 -10.459 -3.929 1.00 32.32 O ATOM 0 H GLU A 68 7.601 -7.112 -2.907 1.00 64.12 H new ATOM 0 HA GLU A 68 7.270 -8.488 -0.541 1.00 25.40 H new ATOM 0 HB2 GLU A 68 7.946 -9.607 -3.259 1.00 34.22 H new ATOM 0 HB3 GLU A 68 7.538 -10.584 -1.862 1.00 34.22 H new ATOM 0 HG2 GLU A 68 5.325 -9.394 -1.687 1.00 14.24 H new ATOM 0 HG3 GLU A 68 5.733 -8.439 -3.099 1.00 14.24 H new ATOM 987 N GLY A 69 9.450 -9.626 0.122 1.00 52.00 N ATOM 988 CA GLY A 69 10.725 -9.924 0.738 1.00 4.34 C ATOM 989 C GLY A 69 10.914 -9.028 1.926 1.00 50.44 C ATOM 990 O GLY A 69 11.476 -9.452 2.934 1.00 4.32 O ATOM 0 H GLY A 69 8.647 -10.042 0.594 1.00 52.00 H new ATOM 0 HA2 GLY A 69 10.760 -10.969 1.045 1.00 4.34 H new ATOM 0 HA3 GLY A 69 11.533 -9.775 0.022 1.00 4.34 H new ATOM 994 N ALA A 70 10.487 -7.738 1.823 1.00 62.13 N ATOM 995 CA ALA A 70 10.722 -6.775 2.879 1.00 12.44 C ATOM 996 C ALA A 70 9.944 -7.165 4.096 1.00 43.03 C ATOM 997 O ALA A 70 8.972 -7.898 4.027 1.00 74.53 O ATOM 998 CB ALA A 70 10.294 -5.340 2.511 1.00 25.44 C ATOM 0 H ALA A 70 9.984 -7.366 1.017 1.00 62.13 H new ATOM 0 HA ALA A 70 11.798 -6.781 3.052 1.00 12.44 H new ATOM 0 HB1 ALA A 70 10.499 -4.673 3.348 1.00 25.44 H new ATOM 0 HB2 ALA A 70 10.853 -5.007 1.636 1.00 25.44 H new ATOM 0 HB3 ALA A 70 9.227 -5.324 2.288 1.00 25.44 H new ATOM 1004 N THR A 71 10.386 -6.665 5.245 1.00 21.12 N ATOM 1005 CA THR A 71 9.700 -6.899 6.477 1.00 73.32 C ATOM 1006 C THR A 71 8.602 -5.857 6.590 1.00 4.21 C ATOM 1007 O THR A 71 8.569 -4.875 5.830 1.00 14.11 O ATOM 1008 CB THR A 71 10.625 -6.822 7.669 1.00 43.34 C ATOM 1009 OG1 THR A 71 11.440 -5.646 7.592 1.00 55.30 O ATOM 1010 CG2 THR A 71 11.539 -8.066 7.630 1.00 13.34 C ATOM 0 H THR A 71 11.225 -6.092 5.332 1.00 21.12 H new ATOM 0 HA THR A 71 9.287 -7.908 6.475 1.00 73.32 H new ATOM 0 HB THR A 71 10.043 -6.784 8.590 1.00 43.34 H new ATOM 0 HG1 THR A 71 12.033 -5.608 8.371 1.00 55.30 H new ATOM 0 HG21 THR A 71 12.222 -8.043 8.479 1.00 13.34 H new ATOM 0 HG22 THR A 71 10.929 -8.968 7.680 1.00 13.34 H new ATOM 0 HG23 THR A 71 12.113 -8.067 6.703 1.00 13.34 H new ATOM 1018 N HIS A 72 7.661 -6.081 7.533 1.00 53.23 N ATOM 1019 CA HIS A 72 6.502 -5.220 7.659 1.00 51.12 C ATOM 1020 C HIS A 72 6.957 -3.836 8.070 1.00 1.40 C ATOM 1021 O HIS A 72 6.481 -2.848 7.539 1.00 75.50 O ATOM 1022 CB HIS A 72 5.411 -5.744 8.636 1.00 50.23 C ATOM 1023 CG HIS A 72 5.763 -5.728 10.103 1.00 71.03 C ATOM 1024 ND1 HIS A 72 5.294 -4.764 10.952 1.00 43.22 N ATOM 1025 CD2 HIS A 72 6.455 -6.610 10.848 1.00 52.21 C ATOM 1026 CE1 HIS A 72 5.699 -5.048 12.179 1.00 65.23 C ATOM 1027 NE2 HIS A 72 6.403 -6.169 12.143 1.00 61.41 N ATOM 0 H HIS A 72 7.695 -6.848 8.205 1.00 53.23 H new ATOM 0 HA HIS A 72 6.022 -5.200 6.681 1.00 51.12 H new ATOM 0 HB2 HIS A 72 4.510 -5.147 8.494 1.00 50.23 H new ATOM 0 HB3 HIS A 72 5.163 -6.768 8.355 1.00 50.23 H new ATOM 0 HD2 HIS A 72 6.956 -7.498 10.492 1.00 52.21 H new ATOM 0 HE1 HIS A 72 5.490 -4.463 13.063 1.00 65.23 H new ATOM 0 HE2 HIS A 72 6.834 -6.627 12.946 1.00 61.41 H new ATOM 1036 N LYS A 73 7.943 -3.757 9.006 1.00 23.33 N ATOM 1037 CA LYS A 73 8.497 -2.474 9.461 1.00 24.35 C ATOM 1038 C LYS A 73 8.989 -1.672 8.271 1.00 31.53 C ATOM 1039 O LYS A 73 8.702 -0.473 8.159 1.00 13.21 O ATOM 1040 CB LYS A 73 9.690 -2.659 10.442 1.00 62.41 C ATOM 1041 CG LYS A 73 10.190 -1.373 11.134 1.00 45.51 C ATOM 1042 CD LYS A 73 9.122 -0.693 12.009 1.00 64.22 C ATOM 1043 CE LYS A 73 9.696 0.258 13.085 1.00 5.52 C ATOM 1044 NZ LYS A 73 10.407 -0.501 14.147 1.00 35.31 N ATOM 0 H LYS A 73 8.362 -4.572 9.453 1.00 23.33 H new ATOM 0 HA LYS A 73 7.694 -1.953 9.982 1.00 24.35 H new ATOM 0 HB2 LYS A 73 9.397 -3.374 11.211 1.00 62.41 H new ATOM 0 HB3 LYS A 73 10.522 -3.103 9.895 1.00 62.41 H new ATOM 0 HG2 LYS A 73 11.055 -1.615 11.752 1.00 45.51 H new ATOM 0 HG3 LYS A 73 10.528 -0.669 10.374 1.00 45.51 H new ATOM 0 HD2 LYS A 73 8.446 -0.130 11.366 1.00 64.22 H new ATOM 0 HD3 LYS A 73 8.527 -1.463 12.500 1.00 64.22 H new ATOM 0 HE2 LYS A 73 10.381 0.967 12.620 1.00 5.52 H new ATOM 0 HE3 LYS A 73 8.888 0.840 13.529 1.00 5.52 H new ATOM 0 HZ1 LYS A 73 10.619 0.133 14.944 1.00 35.31 H new ATOM 0 HZ2 LYS A 73 9.806 -1.283 14.476 1.00 35.31 H new ATOM 0 HZ3 LYS A 73 11.295 -0.884 13.764 1.00 35.31 H new ATOM 1058 N GLN A 74 9.745 -2.323 7.338 1.00 34.23 N ATOM 1059 CA GLN A 74 10.324 -1.616 6.208 1.00 75.11 C ATOM 1060 C GLN A 74 9.222 -1.206 5.276 1.00 13.04 C ATOM 1061 O GLN A 74 9.280 -0.145 4.691 1.00 43.23 O ATOM 1062 CB GLN A 74 11.325 -2.483 5.406 1.00 15.44 C ATOM 1063 CG GLN A 74 12.585 -2.836 6.212 1.00 22.05 C ATOM 1064 CD GLN A 74 13.486 -3.680 5.325 1.00 64.51 C ATOM 1065 OE1 GLN A 74 14.222 -3.156 4.496 1.00 54.13 O ATOM 1066 NE2 GLN A 74 13.432 -5.010 5.490 1.00 44.20 N ATOM 0 H GLN A 74 9.952 -3.321 7.365 1.00 34.23 H new ATOM 0 HA GLN A 74 10.864 -0.758 6.609 1.00 75.11 H new ATOM 0 HB2 GLN A 74 10.831 -3.402 5.091 1.00 15.44 H new ATOM 0 HB3 GLN A 74 11.616 -1.951 4.500 1.00 15.44 H new ATOM 0 HG2 GLN A 74 13.102 -1.930 6.529 1.00 22.05 H new ATOM 0 HG3 GLN A 74 12.319 -3.383 7.116 1.00 22.05 H new ATOM 0 HE21 GLN A 74 12.808 -5.412 6.189 1.00 44.20 H new ATOM 0 HE22 GLN A 74 14.015 -5.619 4.916 1.00 44.20 H new ATOM 1075 N ALA A 75 8.172 -2.049 5.131 1.00 51.22 N ATOM 1076 CA ALA A 75 7.044 -1.741 4.244 1.00 14.01 C ATOM 1077 C ALA A 75 6.440 -0.407 4.642 1.00 53.34 C ATOM 1078 O ALA A 75 6.129 0.423 3.787 1.00 14.41 O ATOM 1079 CB ALA A 75 5.938 -2.814 4.281 1.00 20.52 C ATOM 0 H ALA A 75 8.090 -2.942 5.618 1.00 51.22 H new ATOM 0 HA ALA A 75 7.440 -1.710 3.229 1.00 14.01 H new ATOM 0 HB1 ALA A 75 5.132 -2.529 3.605 1.00 20.52 H new ATOM 0 HB2 ALA A 75 6.351 -3.773 3.970 1.00 20.52 H new ATOM 0 HB3 ALA A 75 5.548 -2.899 5.295 1.00 20.52 H new ATOM 1085 N VAL A 76 6.302 -0.172 5.965 1.00 34.12 N ATOM 1086 CA VAL A 76 5.717 1.069 6.451 1.00 61.44 C ATOM 1087 C VAL A 76 6.689 2.194 6.143 1.00 54.15 C ATOM 1088 O VAL A 76 6.321 3.190 5.503 1.00 1.42 O ATOM 1089 CB VAL A 76 5.431 1.060 7.954 1.00 13.40 C ATOM 1090 CG1 VAL A 76 4.750 2.390 8.339 1.00 70.24 C ATOM 1091 CG2 VAL A 76 4.551 -0.158 8.280 1.00 73.32 C ATOM 0 H VAL A 76 6.587 -0.823 6.696 1.00 34.12 H new ATOM 0 HA VAL A 76 4.757 1.201 5.951 1.00 61.44 H new ATOM 0 HB VAL A 76 6.350 0.976 8.533 1.00 13.40 H new ATOM 0 HG11 VAL A 76 4.541 2.395 9.409 1.00 70.24 H new ATOM 0 HG12 VAL A 76 5.411 3.221 8.094 1.00 70.24 H new ATOM 0 HG13 VAL A 76 3.816 2.494 7.786 1.00 70.24 H new ATOM 0 HG21 VAL A 76 4.339 -0.178 9.349 1.00 73.32 H new ATOM 0 HG22 VAL A 76 3.615 -0.090 7.725 1.00 73.32 H new ATOM 0 HG23 VAL A 76 5.075 -1.071 7.997 1.00 73.32 H new ATOM 1101 N CYS A 77 7.965 2.040 6.614 1.00 61.13 N ATOM 1102 CA CYS A 77 8.995 3.143 6.453 1.00 44.53 C ATOM 1103 C CYS A 77 9.089 3.511 4.967 1.00 44.23 C ATOM 1104 O CYS A 77 9.617 4.536 4.615 1.00 34.22 O ATOM 1105 CB CYS A 77 10.415 2.754 6.954 1.00 3.32 C ATOM 1106 SG CYS A 77 10.809 3.473 8.590 1.00 61.12 S ATOM 0 H CYS A 77 8.305 1.204 7.090 1.00 61.13 H new ATOM 0 HA CYS A 77 8.659 3.979 7.066 1.00 44.53 H new ATOM 0 HB2 CYS A 77 10.491 1.668 7.011 1.00 3.32 H new ATOM 0 HB3 CYS A 77 11.156 3.087 6.227 1.00 3.32 H new ATOM 1111 N THR A 78 8.783 2.542 4.070 1.00 23.24 N ATOM 1112 CA THR A 78 8.963 2.754 2.647 1.00 23.24 C ATOM 1113 C THR A 78 7.980 3.821 2.223 1.00 41.11 C ATOM 1114 O THR A 78 8.366 4.817 1.652 1.00 61.32 O ATOM 1115 CB THR A 78 8.763 1.511 1.787 1.00 4.12 C ATOM 1116 OG1 THR A 78 9.693 0.493 2.181 1.00 41.42 O ATOM 1117 CG2 THR A 78 9.030 1.893 0.305 1.00 34.11 C ATOM 0 H THR A 78 8.416 1.624 4.320 1.00 23.24 H new ATOM 0 HA THR A 78 10.001 3.047 2.490 1.00 23.24 H new ATOM 0 HB THR A 78 7.747 1.136 1.910 1.00 4.12 H new ATOM 0 HG1 THR A 78 9.441 0.143 3.061 1.00 41.42 H new ATOM 0 HG21 THR A 78 8.892 1.016 -0.327 1.00 34.11 H new ATOM 0 HG22 THR A 78 8.334 2.674 -0.001 1.00 34.11 H new ATOM 0 HG23 THR A 78 10.052 2.257 0.202 1.00 34.11 H new ATOM 1125 N LEU A 79 6.673 3.630 2.536 1.00 50.23 N ATOM 1126 CA LEU A 79 5.645 4.602 2.144 1.00 12.41 C ATOM 1127 C LEU A 79 6.017 5.959 2.713 1.00 5.23 C ATOM 1128 O LEU A 79 6.178 6.918 1.989 1.00 52.33 O ATOM 1129 CB LEU A 79 4.232 4.227 2.651 1.00 44.41 C ATOM 1130 CG LEU A 79 3.757 2.826 2.188 1.00 72.20 C ATOM 1131 CD1 LEU A 79 2.382 2.460 2.767 1.00 11.53 C ATOM 1132 CD2 LEU A 79 3.813 2.636 0.657 1.00 20.33 C ATOM 0 H LEU A 79 6.320 2.823 3.050 1.00 50.23 H new ATOM 0 HA LEU A 79 5.609 4.614 1.055 1.00 12.41 H new ATOM 0 HB2 LEU A 79 4.225 4.262 3.740 1.00 44.41 H new ATOM 0 HB3 LEU A 79 3.520 4.976 2.304 1.00 44.41 H new ATOM 0 HG LEU A 79 4.477 2.119 2.600 1.00 72.20 H new ATOM 0 HD11 LEU A 79 2.091 1.470 2.415 1.00 11.53 H new ATOM 0 HD12 LEU A 79 2.435 2.457 3.856 1.00 11.53 H new ATOM 0 HD13 LEU A 79 1.643 3.193 2.442 1.00 11.53 H new ATOM 0 HD21 LEU A 79 3.467 1.634 0.402 1.00 20.33 H new ATOM 0 HD22 LEU A 79 3.173 3.375 0.175 1.00 20.33 H new ATOM 0 HD23 LEU A 79 4.839 2.765 0.312 1.00 20.33 H new ATOM 1144 N ARG A 80 6.184 6.025 4.031 1.00 34.21 N ATOM 1145 CA ARG A 80 6.680 7.248 4.705 1.00 41.35 C ATOM 1146 C ARG A 80 7.951 7.852 4.034 1.00 5.54 C ATOM 1147 O ARG A 80 8.191 9.049 4.160 1.00 21.14 O ATOM 1148 CB ARG A 80 6.955 7.061 6.208 1.00 54.04 C ATOM 1149 CG ARG A 80 5.692 6.730 7.014 1.00 31.20 C ATOM 1150 CD ARG A 80 5.926 6.744 8.538 1.00 44.23 C ATOM 1151 NE ARG A 80 4.588 6.618 9.216 1.00 51.43 N ATOM 1152 CZ ARG A 80 4.295 5.634 10.136 1.00 10.23 C ATOM 1153 NH1 ARG A 80 5.212 4.670 10.488 1.00 53.45 N ATOM 1154 NH2 ARG A 80 3.077 5.634 10.696 1.00 43.23 N ATOM 0 H ARG A 80 5.986 5.251 4.665 1.00 34.21 H new ATOM 0 HA ARG A 80 5.853 7.949 4.591 1.00 41.35 H new ATOM 0 HB2 ARG A 80 7.684 6.262 6.341 1.00 54.04 H new ATOM 0 HB3 ARG A 80 7.404 7.971 6.605 1.00 54.04 H new ATOM 0 HG2 ARG A 80 4.911 7.449 6.766 1.00 31.20 H new ATOM 0 HG3 ARG A 80 5.326 5.747 6.718 1.00 31.20 H new ATOM 0 HD2 ARG A 80 6.580 5.923 8.831 1.00 44.23 H new ATOM 0 HD3 ARG A 80 6.420 7.668 8.839 1.00 44.23 H new ATOM 0 HE ARG A 80 3.861 7.295 8.983 1.00 51.43 H new ATOM 0 HH11 ARG A 80 6.140 4.670 10.065 1.00 53.45 H new ATOM 0 HH12 ARG A 80 4.964 3.956 11.172 1.00 53.45 H new ATOM 0 HH21 ARG A 80 2.397 6.349 10.438 1.00 43.23 H new ATOM 0 HH22 ARG A 80 2.830 4.919 11.380 1.00 43.23 H new ATOM 1168 N ASN A 81 8.773 7.041 3.338 1.00 74.42 N ATOM 1169 CA ASN A 81 10.039 7.530 2.748 1.00 1.32 C ATOM 1170 C ASN A 81 9.787 7.981 1.307 1.00 24.41 C ATOM 1171 O ASN A 81 10.646 8.585 0.690 1.00 65.24 O ATOM 1172 CB ASN A 81 11.132 6.403 2.710 1.00 61.05 C ATOM 1173 CG ASN A 81 12.444 6.921 2.110 1.00 31.51 C ATOM 1174 OD1 ASN A 81 12.886 6.431 1.068 1.00 2.54 O ATOM 1175 ND2 ASN A 81 13.085 7.911 2.765 1.00 75.35 N ATOM 0 H ASN A 81 8.587 6.052 3.171 1.00 74.42 H new ATOM 0 HA ASN A 81 10.393 8.354 3.368 1.00 1.32 H new ATOM 0 HB2 ASN A 81 11.312 6.034 3.720 1.00 61.05 H new ATOM 0 HB3 ASN A 81 10.768 5.560 2.122 1.00 61.05 H new ATOM 0 HD21 ASN A 81 13.964 8.278 2.401 1.00 75.35 H new ATOM 0 HD22 ASN A 81 12.690 8.293 3.625 1.00 75.35 H new ATOM 1182 N THR A 82 8.610 7.684 0.739 1.00 5.13 N ATOM 1183 CA THR A 82 8.396 7.968 -0.684 1.00 3.22 C ATOM 1184 C THR A 82 8.106 9.457 -0.850 1.00 40.43 C ATOM 1185 O THR A 82 8.032 10.211 0.134 1.00 14.31 O ATOM 1186 CB THR A 82 7.286 7.144 -1.334 1.00 22.51 C ATOM 1187 OG1 THR A 82 6.095 7.166 -0.547 1.00 51.52 O ATOM 1188 CG2 THR A 82 7.768 5.697 -1.522 1.00 72.13 C ATOM 0 H THR A 82 7.818 7.262 1.223 1.00 5.13 H new ATOM 0 HA THR A 82 9.311 7.680 -1.201 1.00 3.22 H new ATOM 0 HB THR A 82 7.052 7.583 -2.304 1.00 22.51 H new ATOM 0 HG1 THR A 82 6.274 6.764 0.329 1.00 51.52 H new ATOM 0 HG21 THR A 82 6.977 5.107 -1.986 1.00 72.13 H new ATOM 0 HG22 THR A 82 8.650 5.688 -2.162 1.00 72.13 H new ATOM 0 HG23 THR A 82 8.019 5.268 -0.552 1.00 72.13 H new ATOM 1196 N GLY A 83 7.977 9.904 -2.121 1.00 30.45 N ATOM 1197 CA GLY A 83 7.768 11.312 -2.423 1.00 63.52 C ATOM 1198 C GLY A 83 6.322 11.660 -2.206 1.00 15.53 C ATOM 1199 O GLY A 83 5.569 10.924 -1.537 1.00 43.23 O ATOM 0 H GLY A 83 8.016 9.300 -2.942 1.00 30.45 H new ATOM 0 HA2 GLY A 83 8.402 11.930 -1.786 1.00 63.52 H new ATOM 0 HA3 GLY A 83 8.053 11.520 -3.454 1.00 63.52 H new ATOM 1203 N GLN A 84 5.898 12.824 -2.771 1.00 74.24 N ATOM 1204 CA GLN A 84 4.560 13.329 -2.555 1.00 43.33 C ATOM 1205 C GLN A 84 3.653 12.551 -3.444 1.00 73.22 C ATOM 1206 O GLN A 84 2.533 12.252 -3.082 1.00 23.22 O ATOM 1207 CB GLN A 84 4.385 14.830 -2.917 1.00 24.54 C ATOM 1208 CG GLN A 84 2.980 15.380 -2.560 1.00 1.33 C ATOM 1209 CD GLN A 84 2.816 16.750 -3.186 1.00 51.13 C ATOM 1210 OE1 GLN A 84 1.992 16.928 -4.090 1.00 73.25 O ATOM 1211 NE2 GLN A 84 3.599 17.733 -2.727 1.00 43.21 N ATOM 0 H GLN A 84 6.478 13.410 -3.372 1.00 74.24 H new ATOM 0 HA GLN A 84 4.339 13.227 -1.493 1.00 43.33 H new ATOM 0 HB2 GLN A 84 5.142 15.415 -2.394 1.00 24.54 H new ATOM 0 HB3 GLN A 84 4.561 14.963 -3.984 1.00 24.54 H new ATOM 0 HG2 GLN A 84 2.207 14.704 -2.925 1.00 1.33 H new ATOM 0 HG3 GLN A 84 2.864 15.443 -1.478 1.00 1.33 H new ATOM 0 HE21 GLN A 84 4.267 17.546 -1.979 1.00 43.21 H new ATOM 0 HE22 GLN A 84 3.528 18.670 -3.125 1.00 43.21 H new ATOM 1220 N VAL A 85 4.137 12.202 -4.631 1.00 43.21 N ATOM 1221 CA VAL A 85 3.368 11.401 -5.522 1.00 41.13 C ATOM 1222 C VAL A 85 4.121 10.130 -5.548 1.00 12.14 C ATOM 1223 O VAL A 85 5.346 10.145 -5.703 1.00 64.51 O ATOM 1224 CB VAL A 85 3.272 11.969 -6.932 1.00 53.34 C ATOM 1225 CG1 VAL A 85 2.405 11.029 -7.809 1.00 72.34 C ATOM 1226 CG2 VAL A 85 2.687 13.395 -6.825 1.00 13.35 C ATOM 0 H VAL A 85 5.057 12.470 -4.980 1.00 43.21 H new ATOM 0 HA VAL A 85 2.333 11.322 -5.189 1.00 41.13 H new ATOM 0 HB VAL A 85 4.249 12.032 -7.412 1.00 53.34 H new ATOM 0 HG11 VAL A 85 2.336 11.435 -8.818 1.00 72.34 H new ATOM 0 HG12 VAL A 85 2.863 10.041 -7.846 1.00 72.34 H new ATOM 0 HG13 VAL A 85 1.406 10.950 -7.380 1.00 72.34 H new ATOM 0 HG21 VAL A 85 2.605 13.830 -7.821 1.00 13.35 H new ATOM 0 HG22 VAL A 85 1.699 13.350 -6.367 1.00 13.35 H new ATOM 0 HG23 VAL A 85 3.343 14.012 -6.212 1.00 13.35 H new ATOM 1236 N VAL A 86 3.439 9.010 -5.316 1.00 15.50 N ATOM 1237 CA VAL A 86 4.105 7.751 -5.248 1.00 1.40 C ATOM 1238 C VAL A 86 3.486 6.931 -6.307 1.00 44.41 C ATOM 1239 O VAL A 86 2.279 6.989 -6.502 1.00 42.42 O ATOM 1240 CB VAL A 86 3.893 7.044 -3.922 1.00 74.13 C ATOM 1241 CG1 VAL A 86 4.847 5.827 -3.836 1.00 61.12 C ATOM 1242 CG2 VAL A 86 4.120 8.065 -2.801 1.00 4.44 C ATOM 0 H VAL A 86 2.430 8.969 -5.175 1.00 15.50 H new ATOM 0 HA VAL A 86 5.179 7.896 -5.361 1.00 1.40 H new ATOM 0 HB VAL A 86 2.879 6.656 -3.824 1.00 74.13 H new ATOM 0 HG11 VAL A 86 4.699 5.315 -2.885 1.00 61.12 H new ATOM 0 HG12 VAL A 86 4.635 5.140 -4.655 1.00 61.12 H new ATOM 0 HG13 VAL A 86 5.880 6.168 -3.907 1.00 61.12 H new ATOM 0 HG21 VAL A 86 3.974 7.583 -1.835 1.00 4.44 H new ATOM 0 HG22 VAL A 86 5.137 8.453 -2.863 1.00 4.44 H new ATOM 0 HG23 VAL A 86 3.411 8.886 -2.908 1.00 4.44 H new ATOM 1252 N HIS A 87 4.297 6.144 -7.020 1.00 23.43 N ATOM 1253 CA HIS A 87 3.772 5.250 -8.007 1.00 42.13 C ATOM 1254 C HIS A 87 3.565 3.953 -7.278 1.00 41.21 C ATOM 1255 O HIS A 87 4.526 3.334 -6.847 1.00 14.34 O ATOM 1256 CB HIS A 87 4.763 4.996 -9.171 1.00 1.21 C ATOM 1257 CG HIS A 87 4.105 4.428 -10.389 1.00 12.30 C ATOM 1258 ND1 HIS A 87 3.554 5.227 -11.343 1.00 35.24 N ATOM 1259 CD2 HIS A 87 3.906 3.154 -10.769 1.00 33.41 C ATOM 1260 CE1 HIS A 87 3.031 4.460 -12.282 1.00 12.23 C ATOM 1261 NE2 HIS A 87 3.234 3.197 -11.952 1.00 30.42 N ATOM 0 H HIS A 87 5.312 6.121 -6.919 1.00 23.43 H new ATOM 0 HA HIS A 87 2.868 5.669 -8.448 1.00 42.13 H new ATOM 0 HB2 HIS A 87 5.253 5.933 -9.434 1.00 1.21 H new ATOM 0 HB3 HIS A 87 5.542 4.312 -8.834 1.00 1.21 H new ATOM 0 HD2 HIS A 87 4.219 2.267 -10.238 1.00 33.41 H new ATOM 0 HE1 HIS A 87 2.523 4.807 -13.170 1.00 12.23 H new ATOM 0 HE2 HIS A 87 2.936 2.387 -12.495 1.00 30.42 H new ATOM 1270 N LEU A 88 2.312 3.549 -7.074 1.00 62.22 N ATOM 1271 CA LEU A 88 2.034 2.345 -6.323 1.00 20.02 C ATOM 1272 C LEU A 88 1.418 1.401 -7.274 1.00 22.10 C ATOM 1273 O LEU A 88 0.637 1.801 -8.136 1.00 40.21 O ATOM 1274 CB LEU A 88 1.050 2.550 -5.143 1.00 42.23 C ATOM 1275 CG LEU A 88 1.602 3.474 -4.041 1.00 75.01 C ATOM 1276 CD1 LEU A 88 0.519 3.880 -3.042 1.00 24.52 C ATOM 1277 CD2 LEU A 88 2.856 2.899 -3.349 1.00 51.24 C ATOM 0 H LEU A 88 1.486 4.039 -7.418 1.00 62.22 H new ATOM 0 HA LEU A 88 2.968 1.992 -5.886 1.00 20.02 H new ATOM 0 HB2 LEU A 88 0.118 2.968 -5.525 1.00 42.23 H new ATOM 0 HB3 LEU A 88 0.809 1.580 -4.707 1.00 42.23 H new ATOM 0 HG LEU A 88 1.930 4.386 -4.540 1.00 75.01 H new ATOM 0 HD11 LEU A 88 0.951 4.531 -2.282 1.00 24.52 H new ATOM 0 HD12 LEU A 88 -0.277 4.410 -3.564 1.00 24.52 H new ATOM 0 HD13 LEU A 88 0.110 2.989 -2.566 1.00 24.52 H new ATOM 0 HD21 LEU A 88 3.199 3.594 -2.582 1.00 51.24 H new ATOM 0 HD22 LEU A 88 2.611 1.942 -2.888 1.00 51.24 H new ATOM 0 HD23 LEU A 88 3.645 2.754 -4.087 1.00 51.24 H new ATOM 1289 N LEU A 89 1.785 0.124 -7.169 1.00 15.11 N ATOM 1290 CA LEU A 89 1.247 -0.870 -8.045 1.00 2.24 C ATOM 1291 C LEU A 89 0.392 -1.741 -7.196 1.00 73.55 C ATOM 1292 O LEU A 89 0.848 -2.227 -6.141 1.00 75.34 O ATOM 1293 CB LEU A 89 2.348 -1.738 -8.689 1.00 13.23 C ATOM 1294 CG LEU A 89 1.881 -2.621 -9.856 1.00 54.03 C ATOM 1295 CD1 LEU A 89 1.151 -1.819 -10.931 1.00 44.34 C ATOM 1296 CD2 LEU A 89 3.039 -3.415 -10.455 1.00 51.55 C ATOM 0 H LEU A 89 2.452 -0.228 -6.482 1.00 15.11 H new ATOM 0 HA LEU A 89 0.701 -0.390 -8.857 1.00 2.24 H new ATOM 0 HB2 LEU A 89 3.144 -1.083 -9.045 1.00 13.23 H new ATOM 0 HB3 LEU A 89 2.781 -2.378 -7.920 1.00 13.23 H new ATOM 0 HG LEU A 89 1.165 -3.332 -9.443 1.00 54.03 H new ATOM 0 HD11 LEU A 89 0.840 -2.486 -11.735 1.00 44.34 H new ATOM 0 HD12 LEU A 89 0.273 -1.342 -10.496 1.00 44.34 H new ATOM 0 HD13 LEU A 89 1.818 -1.055 -11.331 1.00 44.34 H new ATOM 0 HD21 LEU A 89 2.672 -4.029 -11.278 1.00 51.55 H new ATOM 0 HD22 LEU A 89 3.799 -2.727 -10.826 1.00 51.55 H new ATOM 0 HD23 LEU A 89 3.474 -4.057 -9.689 1.00 51.55 H new ATOM 1308 N LEU A 90 -0.879 -1.942 -7.600 1.00 65.32 N ATOM 1309 CA LEU A 90 -1.782 -2.726 -6.810 1.00 52.15 C ATOM 1310 C LEU A 90 -2.462 -3.663 -7.750 1.00 61.22 C ATOM 1311 O LEU A 90 -2.529 -3.424 -8.948 1.00 1.44 O ATOM 1312 CB LEU A 90 -2.874 -1.921 -6.052 1.00 54.35 C ATOM 1313 CG LEU A 90 -2.314 -0.988 -4.943 1.00 51.21 C ATOM 1314 CD1 LEU A 90 -1.877 0.397 -5.461 1.00 20.43 C ATOM 1315 CD2 LEU A 90 -3.261 -0.880 -3.747 1.00 10.02 C ATOM 0 H LEU A 90 -1.277 -1.567 -8.461 1.00 65.32 H new ATOM 0 HA LEU A 90 -1.191 -3.214 -6.035 1.00 52.15 H new ATOM 0 HB2 LEU A 90 -3.433 -1.321 -6.770 1.00 54.35 H new ATOM 0 HB3 LEU A 90 -3.580 -2.620 -5.603 1.00 54.35 H new ATOM 0 HG LEU A 90 -1.402 -1.471 -4.592 1.00 51.21 H new ATOM 0 HD11 LEU A 90 -1.497 0.993 -4.631 1.00 20.43 H new ATOM 0 HD12 LEU A 90 -1.093 0.275 -6.209 1.00 20.43 H new ATOM 0 HD13 LEU A 90 -2.731 0.904 -5.910 1.00 20.43 H new ATOM 0 HD21 LEU A 90 -2.827 -0.218 -2.998 1.00 10.02 H new ATOM 0 HD22 LEU A 90 -4.219 -0.477 -4.076 1.00 10.02 H new ATOM 0 HD23 LEU A 90 -3.413 -1.868 -3.313 1.00 10.02 H new ATOM 1327 N GLU A 91 -2.942 -4.784 -7.221 1.00 3.25 N ATOM 1328 CA GLU A 91 -3.617 -5.758 -8.020 1.00 34.41 C ATOM 1329 C GLU A 91 -4.905 -5.997 -7.322 1.00 12.24 C ATOM 1330 O GLU A 91 -4.951 -6.052 -6.088 1.00 42.52 O ATOM 1331 CB GLU A 91 -2.841 -7.098 -8.097 1.00 74.12 C ATOM 1332 CG GLU A 91 -3.551 -8.224 -8.875 1.00 2.31 C ATOM 1333 CD GLU A 91 -2.815 -9.502 -8.584 1.00 42.15 C ATOM 1334 OE1 GLU A 91 -1.623 -9.591 -8.926 1.00 0.41 O ATOM 1335 OE2 GLU A 91 -3.424 -10.413 -7.960 1.00 53.35 O ATOM 0 H GLU A 91 -2.867 -5.027 -6.233 1.00 3.25 H new ATOM 0 HA GLU A 91 -3.727 -5.399 -9.043 1.00 34.41 H new ATOM 0 HB2 GLU A 91 -1.872 -6.912 -8.561 1.00 74.12 H new ATOM 0 HB3 GLU A 91 -2.647 -7.446 -7.082 1.00 74.12 H new ATOM 0 HG2 GLU A 91 -4.594 -8.303 -8.569 1.00 2.31 H new ATOM 0 HG3 GLU A 91 -3.547 -8.013 -9.944 1.00 2.31 H new ATOM 1342 N LYS A 92 -6.004 -6.112 -8.092 1.00 64.33 N ATOM 1343 CA LYS A 92 -7.306 -6.330 -7.520 1.00 74.44 C ATOM 1344 C LYS A 92 -7.346 -7.681 -6.854 1.00 63.55 C ATOM 1345 O LYS A 92 -6.633 -8.607 -7.220 1.00 22.24 O ATOM 1346 CB LYS A 92 -8.466 -6.260 -8.543 1.00 42.32 C ATOM 1347 CG LYS A 92 -8.918 -4.840 -8.899 1.00 22.30 C ATOM 1348 CD LYS A 92 -9.558 -4.128 -7.706 1.00 64.22 C ATOM 1349 CE LYS A 92 -10.341 -2.857 -8.060 1.00 52.13 C ATOM 1350 NZ LYS A 92 -11.025 -2.308 -6.870 1.00 2.42 N ATOM 0 H LYS A 92 -5.995 -6.055 -9.110 1.00 64.33 H new ATOM 0 HA LYS A 92 -7.456 -5.520 -6.806 1.00 74.44 H new ATOM 0 HB2 LYS A 92 -8.158 -6.769 -9.457 1.00 42.32 H new ATOM 0 HB3 LYS A 92 -9.319 -6.809 -8.144 1.00 42.32 H new ATOM 0 HG2 LYS A 92 -8.062 -4.264 -9.249 1.00 22.30 H new ATOM 0 HG3 LYS A 92 -9.631 -4.882 -9.722 1.00 22.30 H new ATOM 0 HD2 LYS A 92 -10.230 -4.824 -7.203 1.00 64.22 H new ATOM 0 HD3 LYS A 92 -8.775 -3.869 -6.993 1.00 64.22 H new ATOM 0 HE2 LYS A 92 -9.662 -2.110 -8.471 1.00 52.13 H new ATOM 0 HE3 LYS A 92 -11.074 -3.081 -8.834 1.00 52.13 H new ATOM 0 HZ1 LYS A 92 -11.548 -1.449 -7.135 1.00 2.42 H new ATOM 0 HZ2 LYS A 92 -11.689 -3.015 -6.494 1.00 2.42 H new ATOM 0 HZ3 LYS A 92 -10.320 -2.074 -6.142 1.00 2.42 H new ATOM 1364 N GLY A 93 -8.175 -7.760 -5.831 1.00 54.21 N ATOM 1365 CA GLY A 93 -8.318 -8.957 -5.035 1.00 1.45 C ATOM 1366 C GLY A 93 -7.907 -8.558 -3.670 1.00 43.02 C ATOM 1367 O GLY A 93 -7.162 -9.259 -2.994 1.00 13.32 O ATOM 0 H GLY A 93 -8.771 -6.989 -5.529 1.00 54.21 H new ATOM 0 HA2 GLY A 93 -9.346 -9.320 -5.048 1.00 1.45 H new ATOM 0 HA3 GLY A 93 -7.691 -9.763 -5.417 1.00 1.45 H new ATOM 1371 N GLN A 94 -8.376 -7.369 -3.268 1.00 23.40 N ATOM 1372 CA GLN A 94 -8.088 -6.831 -1.973 1.00 64.24 C ATOM 1373 C GLN A 94 -9.277 -7.098 -1.127 1.00 61.25 C ATOM 1374 O GLN A 94 -10.344 -7.484 -1.626 1.00 72.31 O ATOM 1375 CB GLN A 94 -7.816 -5.297 -1.952 1.00 14.33 C ATOM 1376 CG GLN A 94 -8.842 -4.421 -2.696 1.00 54.14 C ATOM 1377 CD GLN A 94 -8.510 -4.465 -4.170 1.00 64.13 C ATOM 1378 OE1 GLN A 94 -9.082 -5.250 -4.920 1.00 3.42 O ATOM 1379 NE2 GLN A 94 -7.555 -3.629 -4.597 1.00 63.52 N ATOM 0 H GLN A 94 -8.964 -6.769 -3.847 1.00 23.40 H new ATOM 0 HA GLN A 94 -7.173 -7.305 -1.618 1.00 64.24 H new ATOM 0 HB2 GLN A 94 -7.773 -4.969 -0.913 1.00 14.33 H new ATOM 0 HB3 GLN A 94 -6.832 -5.116 -2.384 1.00 14.33 H new ATOM 0 HG2 GLN A 94 -9.854 -4.787 -2.522 1.00 54.14 H new ATOM 0 HG3 GLN A 94 -8.806 -3.396 -2.328 1.00 54.14 H new ATOM 0 HE21 GLN A 94 -7.104 -2.992 -3.940 1.00 63.52 H new ATOM 0 HE22 GLN A 94 -7.278 -3.629 -5.579 1.00 63.52 H new ATOM 1388 N SER A 95 -9.120 -6.904 0.187 1.00 34.54 N ATOM 1389 CA SER A 95 -10.172 -7.150 1.126 1.00 41.33 C ATOM 1390 C SER A 95 -11.188 -6.016 1.007 1.00 64.53 C ATOM 1391 O SER A 95 -10.877 -4.927 0.497 1.00 2.41 O ATOM 1392 CB SER A 95 -9.615 -7.143 2.572 1.00 21.21 C ATOM 1393 OG SER A 95 -8.440 -7.958 2.646 1.00 20.22 O ATOM 0 H SER A 95 -8.253 -6.572 0.610 1.00 34.54 H new ATOM 0 HA SER A 95 -10.625 -8.119 0.916 1.00 41.33 H new ATOM 0 HB2 SER A 95 -9.380 -6.123 2.875 1.00 21.21 H new ATOM 0 HB3 SER A 95 -10.371 -7.515 3.264 1.00 21.21 H new ATOM 0 HG SER A 95 -8.092 -7.948 3.562 1.00 20.22 H new ATOM 1399 N PRO A 96 -12.427 -6.276 1.487 1.00 71.34 N ATOM 1400 CA PRO A 96 -13.481 -5.263 1.577 1.00 32.20 C ATOM 1401 C PRO A 96 -13.080 -4.204 2.592 1.00 3.22 C ATOM 1402 O PRO A 96 -11.975 -4.296 3.151 1.00 11.23 O ATOM 1403 CB PRO A 96 -14.733 -6.049 2.035 1.00 32.14 C ATOM 1404 CG PRO A 96 -14.174 -7.308 2.731 1.00 33.45 C ATOM 1405 CD PRO A 96 -12.878 -7.595 1.965 1.00 21.45 C ATOM 0 HA PRO A 96 -13.662 -4.739 0.638 1.00 32.20 H new ATOM 0 HB2 PRO A 96 -15.344 -5.458 2.717 1.00 32.14 H new ATOM 0 HB3 PRO A 96 -15.366 -6.313 1.188 1.00 32.14 H new ATOM 0 HG2 PRO A 96 -13.984 -7.130 3.789 1.00 33.45 H new ATOM 0 HG3 PRO A 96 -14.871 -8.144 2.668 1.00 33.45 H new ATOM 0 HD2 PRO A 96 -12.131 -8.059 2.609 1.00 21.45 H new ATOM 0 HD3 PRO A 96 -13.052 -8.279 1.134 1.00 21.45 H new ATOM 1413 N THR A 97 -13.992 -3.226 2.828 1.00 63.00 N ATOM 1414 CA THR A 97 -13.773 -2.014 3.605 1.00 54.24 C ATOM 1415 C THR A 97 -13.603 -0.920 2.544 1.00 63.11 C ATOM 1416 O THR A 97 -12.544 -0.283 2.462 1.00 4.11 O ATOM 1417 CB THR A 97 -12.635 -2.008 4.637 1.00 61.14 C ATOM 1418 OG1 THR A 97 -12.786 -3.133 5.507 1.00 52.41 O ATOM 1419 CG2 THR A 97 -12.727 -0.717 5.486 1.00 53.42 C ATOM 0 H THR A 97 -14.940 -3.280 2.457 1.00 63.00 H new ATOM 0 HA THR A 97 -14.621 -1.875 4.275 1.00 54.24 H new ATOM 0 HB THR A 97 -11.675 -2.054 4.123 1.00 61.14 H new ATOM 0 HG1 THR A 97 -12.459 -3.940 5.058 1.00 52.41 H new ATOM 0 HG21 THR A 97 -11.922 -0.707 6.221 1.00 53.42 H new ATOM 0 HG22 THR A 97 -12.636 0.153 4.836 1.00 53.42 H new ATOM 0 HG23 THR A 97 -13.688 -0.687 6.000 1.00 53.42 H new TER 1427 THR A 97 HETATM 1428 C1 33B A 101 0.771 2.184 11.456 1.00 70.23 C HETATM 1429 C2 33B A 101 1.682 2.754 12.547 1.00 34.31 C HETATM 1430 O2 33B A 101 2.483 2.013 13.117 1.00 52.11 O HETATM 1431 N3 33B A 101 1.563 4.116 12.794 1.00 61.51 N HETATM 1432 C4 33B A 101 2.506 4.972 13.673 1.00 55.30 C HETATM 1433 C5 33B A 101 3.625 4.393 14.347 1.00 71.12 C HETATM 1434 C6 33B A 101 2.326 6.438 13.778 1.00 42.51 C HETATM 1435 S6 33B A 101 0.940 7.340 13.021 1.00 31.11 S HETATM 1436 C7 33B A 101 4.528 5.186 15.057 1.00 20.11 C HETATM 1437 C8 33B A 101 3.284 7.186 14.506 1.00 61.43 C HETATM 1438 C9 33B A 101 4.380 6.582 15.125 1.00 43.25 C HETATM 1439 N10 33B A 101 5.402 7.438 15.855 1.00 55.54 N HETATM 1440 N11 33B A 101 6.668 7.426 15.636 1.00 74.22 N HETATM 1441 C12 33B A 101 7.358 6.552 14.614 1.00 65.14 C HETATM 1442 C13 33B A 101 7.020 6.622 13.258 1.00 72.10 C HETATM 1443 C14 33B A 101 8.334 5.654 15.028 1.00 73.41 C HETATM 1444 C15 33B A 101 7.613 5.774 12.320 1.00 43.24 C HETATM 1445 C16 33B A 101 8.985 4.783 14.127 1.00 22.41 C HETATM 1446 C17 33B A 101 8.585 4.805 12.713 1.00 31.44 C HETATM 1447 S17 33B A 101 10.199 3.644 14.816 1.00 70.42 S HETATM 1448 N18 33B A 101 9.168 3.785 11.708 1.00 44.30 N HETATM 1449 C19 33B A 101 8.784 3.629 10.385 1.00 61.51 C HETATM 1450 O19 33B A 101 7.864 4.257 9.864 1.00 33.02 O HETATM 1451 C20 33B A 101 9.563 2.586 9.575 1.00 52.54 C HETATM 1452 O61 33B A 101 1.513 8.642 12.714 1.00 44.41 O HETATM 1453 O62 33B A 101 0.613 6.555 11.863 1.00 13.42 O HETATM 1454 O63 33B A 101 -0.047 7.333 14.077 1.00 33.13 O HETATM 1455 O71 33B A 101 9.350 2.631 15.374 1.00 20.31 O HETATM 1456 O72 33B A 101 10.994 3.221 13.689 1.00 41.03 O HETATM 1457 O73 33B A 101 10.903 4.462 15.778 1.00 51.42 O HETATM 0 HO72 33B A 101 11.683 2.594 13.992 1.00 41.03 H new HETATM 0 HO62 33B A 101 0.613 7.129 11.068 1.00 13.42 H new HETATM 0 HN18 33B A 101 9.905 3.169 12.051 1.00 44.30 H new HETATM 0 HN3 33B A 101 0.779 4.598 12.354 1.00 61.51 H new HETATM 0 H8 33B A 101 3.162 8.266 14.585 1.00 61.43 H new HETATM 0 H7 33B A 101 5.366 4.713 15.569 1.00 20.11 H new HETATM 0 H5 33B A 101 3.776 3.314 14.306 1.00 71.12 H new HETATM 0 H15 33B A 101 7.329 5.853 11.271 1.00 43.24 H new HETATM 0 H14 33B A 101 8.606 5.621 16.083 1.00 73.41 H new HETATM 0 H13 33B A 101 6.281 7.352 12.928 1.00 72.10 H new