USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 592 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 93 TYR OH : rot 58:sc= -0.53 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.606 X(o=-0.61,f=-0.62) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0257 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0149 (180deg=-0.163) USER MOD Single : A 32 LYS NZ :NH3+ -141:sc= -0.0384 (180deg=-0.797) USER MOD Single : A 34 ASN : amide:sc= -1.11 X(o=-1.1,f=-1) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.183 (180deg=-0.615) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -2.04 K(o=-2,f=-12!) USER MOD Single : A 63 SER OG : rot 180:sc= -0.793 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 GLN : amide:sc= -2.24 K(o=-2.2,f=-11!) USER MOD Single : A 82 MET CE :methyl -106:sc= -0.492 (180deg=-3.92!) USER MOD Single : A 83 ASN : amide:sc= -0.049 X(o=-0.049,f=0) USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 LYS NZ :NH3+ -166:sc= -0.113 (180deg=-0.351) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 105:sc= -0.734 USER MOD Single : A 92 ASN :FLIP amide:sc= -5.16! C(o=-6.5!,f=-5.2!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN :FLIP amide:sc= 0.236 F(o=-0.39,f=0.24) USER MOD ----------------------------------------------------------------- ATOM 18 N ALA A 3 10.689 -2.849 4.262 1.00 71.14 N ATOM 19 CA ALA A 3 10.218 -4.225 4.157 1.00 12.43 C ATOM 20 C ALA A 3 9.589 -4.690 5.467 1.00 75.03 C ATOM 21 O ALA A 3 10.115 -5.578 6.137 1.00 35.31 O ATOM 22 CB ALA A 3 11.364 -5.146 3.764 1.00 22.42 C ATOM 0 HA ALA A 3 9.453 -4.264 3.382 1.00 12.43 H new ATOM 0 HB1 ALA A 3 10.998 -6.170 3.689 1.00 22.42 H new ATOM 0 HB2 ALA A 3 11.768 -4.834 2.801 1.00 22.42 H new ATOM 0 HB3 ALA A 3 12.148 -5.095 4.520 1.00 22.42 H new ATOM 28 N GLN A 4 8.462 -4.083 5.823 1.00 23.33 N ATOM 29 CA GLN A 4 7.762 -4.436 7.054 1.00 73.44 C ATOM 30 C GLN A 4 6.688 -5.485 6.788 1.00 42.35 C ATOM 31 O GLN A 4 5.908 -5.363 5.845 1.00 42.42 O ATOM 32 CB GLN A 4 7.131 -3.190 7.681 1.00 42.34 C ATOM 33 CG GLN A 4 7.528 -2.974 9.132 1.00 54.10 C ATOM 34 CD GLN A 4 7.135 -1.602 9.644 1.00 15.50 C ATOM 35 OE1 GLN A 4 7.860 -0.625 9.455 1.00 73.52 O ATOM 36 NE2 GLN A 4 5.984 -1.521 10.300 1.00 42.45 N ATOM 0 H GLN A 4 8.014 -3.346 5.279 1.00 23.33 H new ATOM 0 HA GLN A 4 8.489 -4.856 7.749 1.00 73.44 H new ATOM 0 HB2 GLN A 4 7.420 -2.314 7.099 1.00 42.34 H new ATOM 0 HB3 GLN A 4 6.046 -3.271 7.618 1.00 42.34 H new ATOM 0 HG2 GLN A 4 7.058 -3.738 9.751 1.00 54.10 H new ATOM 0 HG3 GLN A 4 8.606 -3.101 9.233 1.00 54.10 H new ATOM 0 HE21 GLN A 4 5.414 -2.356 10.434 1.00 42.45 H new ATOM 0 HE22 GLN A 4 5.670 -0.624 10.670 1.00 42.45 H new ATOM 43 N ASN A 5 6.657 -6.517 7.625 1.00 21.41 N ATOM 44 CA ASN A 5 5.678 -7.590 7.480 1.00 73.44 C ATOM 45 C ASN A 5 4.389 -7.255 8.223 1.00 31.24 C ATOM 46 O ASN A 5 4.401 -7.024 9.434 1.00 64.11 O ATOM 47 CB ASN A 5 6.254 -8.907 8.001 1.00 50.14 C ATOM 48 CG ASN A 5 6.912 -8.754 9.358 1.00 2.43 C ATOM 49 OD1 ASN A 5 8.108 -8.477 9.454 1.00 53.21 O ATOM 50 ND2 ASN A 5 6.131 -8.934 10.418 1.00 15.21 N ATOM 0 H ASN A 5 7.298 -6.634 8.410 1.00 21.41 H new ATOM 0 HA ASN A 5 5.447 -7.697 6.420 1.00 73.44 H new ATOM 0 HB2 ASN A 5 5.457 -9.647 8.068 1.00 50.14 H new ATOM 0 HB3 ASN A 5 6.984 -9.289 7.287 1.00 50.14 H new ATOM 0 HD21 ASN A 5 6.518 -8.844 11.358 1.00 15.21 H new ATOM 0 HD22 ASN A 5 5.145 -9.162 10.292 1.00 15.21 H new ATOM 56 N ILE A 6 3.279 -7.231 7.494 1.00 75.34 N ATOM 57 CA ILE A 6 1.982 -6.925 8.085 1.00 41.35 C ATOM 58 C ILE A 6 0.970 -8.027 7.788 1.00 54.14 C ATOM 59 O ILE A 6 0.775 -8.412 6.633 1.00 12.44 O ATOM 60 CB ILE A 6 1.429 -5.583 7.570 1.00 45.44 C ATOM 61 CG1 ILE A 6 2.368 -4.438 7.956 1.00 70.20 C ATOM 62 CG2 ILE A 6 0.033 -5.340 8.121 1.00 25.00 C ATOM 63 CD1 ILE A 6 2.560 -4.292 9.449 1.00 52.53 C ATOM 0 H ILE A 6 3.252 -7.420 6.492 1.00 75.34 H new ATOM 0 HA ILE A 6 2.135 -6.855 9.162 1.00 41.35 H new ATOM 0 HB ILE A 6 1.367 -5.625 6.483 1.00 45.44 H new ATOM 0 HG12 ILE A 6 3.338 -4.601 7.487 1.00 70.20 H new ATOM 0 HG13 ILE A 6 1.973 -3.504 7.555 1.00 70.20 H new ATOM 0 HG21 ILE A 6 -0.345 -4.388 7.748 1.00 25.00 H new ATOM 0 HG22 ILE A 6 -0.630 -6.144 7.800 1.00 25.00 H new ATOM 0 HG23 ILE A 6 0.071 -5.314 9.210 1.00 25.00 H new ATOM 0 HD11 ILE A 6 3.237 -3.462 9.649 1.00 52.53 H new ATOM 0 HD12 ILE A 6 1.598 -4.098 9.922 1.00 52.53 H new ATOM 0 HD13 ILE A 6 2.984 -5.211 9.853 1.00 52.53 H new ATOM 74 N THR A 7 0.327 -8.531 8.836 1.00 72.04 N ATOM 75 CA THR A 7 -0.665 -9.587 8.689 1.00 45.11 C ATOM 76 C THR A 7 -2.074 -9.011 8.605 1.00 4.14 C ATOM 77 O THR A 7 -2.418 -8.080 9.333 1.00 11.42 O ATOM 78 CB THR A 7 -0.601 -10.587 9.859 1.00 74.40 C ATOM 79 OG1 THR A 7 -0.259 -9.902 11.070 1.00 63.10 O ATOM 80 CG2 THR A 7 0.421 -11.679 9.581 1.00 2.24 C ATOM 0 H THR A 7 0.476 -8.224 9.797 1.00 72.04 H new ATOM 0 HA THR A 7 -0.433 -10.110 7.761 1.00 45.11 H new ATOM 0 HB THR A 7 -1.582 -11.049 9.969 1.00 74.40 H new ATOM 0 HG1 THR A 7 -0.222 -10.544 11.810 1.00 63.10 H new ATOM 0 HG21 THR A 7 0.449 -12.373 10.421 1.00 2.24 H new ATOM 0 HG22 THR A 7 0.142 -12.216 8.675 1.00 2.24 H new ATOM 0 HG23 THR A 7 1.406 -11.231 9.448 1.00 2.24 H new ATOM 88 N ALA A 8 -2.886 -9.570 7.714 1.00 24.31 N ATOM 89 CA ALA A 8 -4.260 -9.112 7.539 1.00 41.22 C ATOM 90 C ALA A 8 -5.176 -10.264 7.142 1.00 51.45 C ATOM 91 O ALA A 8 -4.709 -11.340 6.765 1.00 75.12 O ATOM 92 CB ALA A 8 -4.318 -8.006 6.496 1.00 73.43 C ATOM 0 H ALA A 8 -2.617 -10.340 7.102 1.00 24.31 H new ATOM 0 HA ALA A 8 -4.610 -8.716 8.493 1.00 41.22 H new ATOM 0 HB1 ALA A 8 -5.349 -7.673 6.375 1.00 73.43 H new ATOM 0 HB2 ALA A 8 -3.702 -7.167 6.820 1.00 73.43 H new ATOM 0 HB3 ALA A 8 -3.945 -8.384 5.544 1.00 73.43 H new ATOM 98 N ARG A 9 -6.481 -10.034 7.228 1.00 24.14 N ATOM 99 CA ARG A 9 -7.462 -11.054 6.881 1.00 25.24 C ATOM 100 C ARG A 9 -8.433 -10.536 5.823 1.00 21.04 C ATOM 101 O ARG A 9 -8.741 -9.344 5.780 1.00 23.14 O ATOM 102 CB ARG A 9 -8.235 -11.496 8.125 1.00 35.12 C ATOM 103 CG ARG A 9 -7.722 -12.790 8.733 1.00 11.51 C ATOM 104 CD ARG A 9 -7.071 -12.550 10.086 1.00 2.25 C ATOM 105 NE ARG A 9 -7.925 -12.984 11.189 1.00 3.55 N ATOM 106 CZ ARG A 9 -7.784 -12.560 12.440 1.00 21.10 C ATOM 107 NH1 ARG A 9 -6.828 -11.695 12.746 1.00 33.13 N ATOM 108 NH2 ARG A 9 -8.601 -13.001 13.388 1.00 63.44 N ATOM 0 H ARG A 9 -6.884 -9.149 7.535 1.00 24.14 H new ATOM 0 HA ARG A 9 -6.927 -11.911 6.472 1.00 25.24 H new ATOM 0 HB2 ARG A 9 -8.182 -10.706 8.875 1.00 35.12 H new ATOM 0 HB3 ARG A 9 -9.286 -11.619 7.865 1.00 35.12 H new ATOM 0 HG2 ARG A 9 -8.547 -13.493 8.845 1.00 11.51 H new ATOM 0 HG3 ARG A 9 -7.001 -13.250 8.057 1.00 11.51 H new ATOM 0 HD2 ARG A 9 -6.121 -13.083 10.131 1.00 2.25 H new ATOM 0 HD3 ARG A 9 -6.846 -11.489 10.197 1.00 2.25 H new ATOM 0 HE ARG A 9 -8.671 -13.650 10.987 1.00 3.55 H new ATOM 0 HH11 ARG A 9 -6.198 -11.353 12.020 1.00 33.13 H new ATOM 0 HH12 ARG A 9 -6.722 -11.371 13.707 1.00 33.13 H new ATOM 0 HH21 ARG A 9 -9.339 -13.667 13.157 1.00 63.44 H new ATOM 0 HH22 ARG A 9 -8.491 -12.675 14.348 1.00 63.44 H new ATOM 119 N ILE A 10 -8.911 -11.440 4.973 1.00 34.53 N ATOM 120 CA ILE A 10 -9.847 -11.073 3.917 1.00 12.33 C ATOM 121 C ILE A 10 -11.050 -10.327 4.483 1.00 14.32 C ATOM 122 O ILE A 10 -11.764 -10.841 5.344 1.00 71.22 O ATOM 123 CB ILE A 10 -10.341 -12.312 3.148 1.00 41.23 C ATOM 124 CG1 ILE A 10 -9.171 -12.998 2.439 1.00 62.23 C ATOM 125 CG2 ILE A 10 -11.418 -11.920 2.148 1.00 64.34 C ATOM 126 CD1 ILE A 10 -9.273 -14.507 2.428 1.00 2.10 C ATOM 0 H ILE A 10 -8.666 -12.430 4.995 1.00 34.53 H new ATOM 0 HA ILE A 10 -9.308 -10.420 3.231 1.00 12.33 H new ATOM 0 HB ILE A 10 -10.773 -13.016 3.860 1.00 41.23 H new ATOM 0 HG12 ILE A 10 -9.118 -12.638 1.412 1.00 62.23 H new ATOM 0 HG13 ILE A 10 -8.240 -12.708 2.927 1.00 62.23 H new ATOM 0 HG21 ILE A 10 -11.757 -12.807 1.612 1.00 64.34 H new ATOM 0 HG22 ILE A 10 -12.259 -11.471 2.676 1.00 64.34 H new ATOM 0 HG23 ILE A 10 -11.011 -11.201 1.438 1.00 64.34 H new ATOM 0 HD11 ILE A 10 -8.411 -14.926 1.909 1.00 2.10 H new ATOM 0 HD12 ILE A 10 -9.296 -14.878 3.453 1.00 2.10 H new ATOM 0 HD13 ILE A 10 -10.186 -14.806 1.914 1.00 2.10 H new ATOM 137 N GLY A 11 -11.271 -9.111 3.993 1.00 73.13 N ATOM 138 CA GLY A 11 -12.390 -8.314 4.460 1.00 72.22 C ATOM 139 C GLY A 11 -12.039 -7.480 5.676 1.00 35.41 C ATOM 140 O GLY A 11 -12.901 -6.810 6.245 1.00 33.34 O ATOM 0 H GLY A 11 -10.694 -8.663 3.280 1.00 73.13 H new ATOM 0 HA2 GLY A 11 -12.725 -7.657 3.657 1.00 72.22 H new ATOM 0 HA3 GLY A 11 -13.225 -8.972 4.703 1.00 72.22 H new ATOM 144 N GLU A 12 -10.773 -7.521 6.075 1.00 33.44 N ATOM 145 CA GLU A 12 -10.312 -6.764 7.233 1.00 33.01 C ATOM 146 C GLU A 12 -9.587 -5.493 6.801 1.00 70.02 C ATOM 147 O GLU A 12 -8.817 -5.485 5.839 1.00 4.21 O ATOM 148 CB GLU A 12 -9.386 -7.624 8.097 1.00 24.41 C ATOM 149 CG GLU A 12 -10.034 -8.908 8.590 1.00 10.42 C ATOM 150 CD GLU A 12 -11.460 -8.701 9.059 1.00 22.35 C ATOM 151 OE1 GLU A 12 -11.648 -8.276 10.218 1.00 64.30 O ATOM 152 OE2 GLU A 12 -12.389 -8.962 8.266 1.00 55.51 O ATOM 0 H GLU A 12 -10.048 -8.070 5.614 1.00 33.44 H new ATOM 0 HA GLU A 12 -11.186 -6.481 7.820 1.00 33.01 H new ATOM 0 HB2 GLU A 12 -8.494 -7.874 7.522 1.00 24.41 H new ATOM 0 HB3 GLU A 12 -9.057 -7.039 8.956 1.00 24.41 H new ATOM 0 HG2 GLU A 12 -10.023 -9.647 7.788 1.00 10.42 H new ATOM 0 HG3 GLU A 12 -9.442 -9.318 9.409 1.00 10.42 H new ATOM 157 N PRO A 13 -9.836 -4.394 7.525 1.00 34.25 N ATOM 158 CA PRO A 13 -9.218 -3.097 7.236 1.00 73.15 C ATOM 159 C PRO A 13 -7.726 -3.084 7.550 1.00 1.10 C ATOM 160 O PRO A 13 -7.284 -3.670 8.539 1.00 72.20 O ATOM 161 CB PRO A 13 -9.967 -2.132 8.159 1.00 65.42 C ATOM 162 CG PRO A 13 -10.451 -2.981 9.282 1.00 24.22 C ATOM 163 CD PRO A 13 -10.743 -4.330 8.684 1.00 12.24 C ATOM 0 HA PRO A 13 -9.289 -2.838 6.180 1.00 73.15 H new ATOM 0 HB2 PRO A 13 -9.312 -1.338 8.517 1.00 65.42 H new ATOM 0 HB3 PRO A 13 -10.796 -1.651 7.640 1.00 65.42 H new ATOM 0 HG2 PRO A 13 -9.698 -3.056 10.067 1.00 24.22 H new ATOM 0 HG3 PRO A 13 -11.345 -2.554 9.737 1.00 24.22 H new ATOM 0 HD2 PRO A 13 -10.547 -5.135 9.393 1.00 12.24 H new ATOM 0 HD3 PRO A 13 -11.787 -4.418 8.383 1.00 12.24 H new ATOM 168 N LEU A 14 -6.954 -2.411 6.703 1.00 63.14 N ATOM 169 CA LEU A 14 -5.509 -2.322 6.890 1.00 64.51 C ATOM 170 C LEU A 14 -4.986 -0.959 6.448 1.00 21.42 C ATOM 171 O LEU A 14 -5.442 -0.402 5.449 1.00 42.33 O ATOM 172 CB LEU A 14 -4.804 -3.431 6.108 1.00 12.14 C ATOM 173 CG LEU A 14 -3.339 -3.681 6.473 1.00 24.33 C ATOM 174 CD1 LEU A 14 -3.236 -4.345 7.837 1.00 10.13 C ATOM 175 CD2 LEU A 14 -2.665 -4.536 5.409 1.00 54.11 C ATOM 0 H LEU A 14 -7.304 -1.919 5.881 1.00 63.14 H new ATOM 0 HA LEU A 14 -5.296 -2.445 7.952 1.00 64.51 H new ATOM 0 HB2 LEU A 14 -5.357 -4.359 6.253 1.00 12.14 H new ATOM 0 HB3 LEU A 14 -4.857 -3.190 5.046 1.00 12.14 H new ATOM 0 HG LEU A 14 -2.825 -2.721 6.519 1.00 24.33 H new ATOM 0 HD11 LEU A 14 -2.187 -4.515 8.080 1.00 10.13 H new ATOM 0 HD12 LEU A 14 -3.683 -3.698 8.591 1.00 10.13 H new ATOM 0 HD13 LEU A 14 -3.764 -5.299 7.818 1.00 10.13 H new ATOM 0 HD21 LEU A 14 -1.624 -4.705 5.684 1.00 54.11 H new ATOM 0 HD22 LEU A 14 -3.180 -5.494 5.332 1.00 54.11 H new ATOM 0 HD23 LEU A 14 -2.708 -4.023 4.448 1.00 54.11 H new ATOM 186 N VAL A 15 -4.027 -0.427 7.196 1.00 42.31 N ATOM 187 CA VAL A 15 -3.437 0.869 6.879 1.00 31.44 C ATOM 188 C VAL A 15 -1.921 0.773 6.774 1.00 35.44 C ATOM 189 O VAL A 15 -1.287 -0.017 7.474 1.00 10.23 O ATOM 190 CB VAL A 15 -3.803 1.925 7.939 1.00 34.03 C ATOM 191 CG1 VAL A 15 -3.228 3.281 7.562 1.00 14.24 C ATOM 192 CG2 VAL A 15 -5.312 2.007 8.112 1.00 33.32 C ATOM 0 H VAL A 15 -3.640 -0.873 8.028 1.00 42.31 H new ATOM 0 HA VAL A 15 -3.844 1.175 5.915 1.00 31.44 H new ATOM 0 HB VAL A 15 -3.367 1.624 8.892 1.00 34.03 H new ATOM 0 HG11 VAL A 15 -3.497 4.014 8.322 1.00 14.24 H new ATOM 0 HG12 VAL A 15 -2.142 3.210 7.494 1.00 14.24 H new ATOM 0 HG13 VAL A 15 -3.632 3.592 6.599 1.00 14.24 H new ATOM 0 HG21 VAL A 15 -5.552 2.758 8.865 1.00 33.32 H new ATOM 0 HG22 VAL A 15 -5.772 2.284 7.164 1.00 33.32 H new ATOM 0 HG23 VAL A 15 -5.695 1.038 8.432 1.00 33.32 H new ATOM 202 N LEU A 16 -1.342 1.584 5.896 1.00 41.03 N ATOM 203 CA LEU A 16 0.104 1.591 5.698 1.00 35.32 C ATOM 204 C LEU A 16 0.649 3.016 5.724 1.00 1.05 C ATOM 205 O LEU A 16 -0.030 3.960 5.319 1.00 1.34 O ATOM 206 CB LEU A 16 0.460 0.921 4.370 1.00 54.44 C ATOM 207 CG LEU A 16 0.056 -0.547 4.230 1.00 12.41 C ATOM 208 CD1 LEU A 16 -0.235 -0.883 2.776 1.00 64.12 C ATOM 209 CD2 LEU A 16 1.147 -1.455 4.782 1.00 65.21 C ATOM 0 H LEU A 16 -1.851 2.245 5.310 1.00 41.03 H new ATOM 0 HA LEU A 16 0.561 1.031 6.514 1.00 35.32 H new ATOM 0 HB2 LEU A 16 -0.010 1.485 3.564 1.00 54.44 H new ATOM 0 HB3 LEU A 16 1.538 0.996 4.225 1.00 54.44 H new ATOM 0 HG LEU A 16 -0.853 -0.712 4.809 1.00 12.41 H new ATOM 0 HD11 LEU A 16 -0.521 -1.932 2.695 1.00 64.12 H new ATOM 0 HD12 LEU A 16 -1.050 -0.256 2.414 1.00 64.12 H new ATOM 0 HD13 LEU A 16 0.657 -0.703 2.175 1.00 64.12 H new ATOM 0 HD21 LEU A 16 0.843 -2.496 4.674 1.00 65.21 H new ATOM 0 HD22 LEU A 16 2.072 -1.288 4.231 1.00 65.21 H new ATOM 0 HD23 LEU A 16 1.308 -1.231 5.837 1.00 65.21 H new ATOM 220 N LYS A 17 1.881 3.163 6.201 1.00 62.44 N ATOM 221 CA LYS A 17 2.521 4.472 6.277 1.00 24.24 C ATOM 222 C LYS A 17 3.677 4.569 5.288 1.00 62.40 C ATOM 223 O LYS A 17 4.327 3.571 4.976 1.00 65.53 O ATOM 224 CB LYS A 17 3.026 4.732 7.697 1.00 35.03 C ATOM 225 CG LYS A 17 3.670 6.098 7.872 1.00 3.41 C ATOM 226 CD LYS A 17 3.699 6.516 9.333 1.00 54.54 C ATOM 227 CE LYS A 17 2.376 7.128 9.765 1.00 53.41 C ATOM 228 NZ LYS A 17 2.534 8.007 10.957 1.00 53.32 N ATOM 0 H LYS A 17 2.456 2.392 6.541 1.00 62.44 H new ATOM 0 HA LYS A 17 1.780 5.228 6.018 1.00 24.24 H new ATOM 0 HB2 LYS A 17 2.192 4.641 8.393 1.00 35.03 H new ATOM 0 HB3 LYS A 17 3.749 3.961 7.963 1.00 35.03 H new ATOM 0 HG2 LYS A 17 4.686 6.076 7.478 1.00 3.41 H new ATOM 0 HG3 LYS A 17 3.120 6.838 7.291 1.00 3.41 H new ATOM 0 HD2 LYS A 17 3.921 5.649 9.956 1.00 54.54 H new ATOM 0 HD3 LYS A 17 4.502 7.236 9.491 1.00 54.54 H new ATOM 0 HE2 LYS A 17 1.957 7.705 8.941 1.00 53.41 H new ATOM 0 HE3 LYS A 17 1.665 6.333 9.991 1.00 53.41 H new ATOM 0 HZ1 LYS A 17 1.610 8.405 11.220 1.00 53.32 H new ATOM 0 HZ2 LYS A 17 2.910 7.451 11.751 1.00 53.32 H new ATOM 0 HZ3 LYS A 17 3.193 8.780 10.733 1.00 53.32 H new ATOM 238 N CYS A 18 3.933 5.780 4.800 1.00 4.55 N ATOM 239 CA CYS A 18 5.011 6.009 3.848 1.00 43.42 C ATOM 240 C CYS A 18 6.167 6.759 4.505 1.00 3.24 C ATOM 241 O CYS A 18 6.111 7.975 4.683 1.00 73.12 O ATOM 242 CB CYS A 18 4.497 6.798 2.642 1.00 1.23 C ATOM 243 SG CYS A 18 5.804 7.338 1.495 1.00 41.41 S ATOM 0 H CYS A 18 3.407 6.617 5.050 1.00 4.55 H new ATOM 0 HA CYS A 18 5.375 5.039 3.510 1.00 43.42 H new ATOM 0 HB2 CYS A 18 3.782 6.182 2.097 1.00 1.23 H new ATOM 0 HB3 CYS A 18 3.956 7.675 2.999 1.00 1.23 H new ATOM 247 N LYS A 19 7.213 6.022 4.865 1.00 71.14 N ATOM 248 CA LYS A 19 8.384 6.616 5.501 1.00 61.51 C ATOM 249 C LYS A 19 8.905 7.797 4.688 1.00 73.11 C ATOM 250 O LYS A 19 9.578 7.617 3.675 1.00 31.11 O ATOM 251 CB LYS A 19 9.488 5.568 5.662 1.00 23.30 C ATOM 252 CG LYS A 19 9.704 5.131 7.101 1.00 54.14 C ATOM 253 CD LYS A 19 8.599 4.202 7.574 1.00 43.44 C ATOM 254 CE LYS A 19 8.375 4.319 9.073 1.00 74.10 C ATOM 255 NZ LYS A 19 7.037 3.807 9.476 1.00 32.45 N ATOM 0 H LYS A 19 7.274 5.013 4.727 1.00 71.14 H new ATOM 0 HA LYS A 19 8.087 6.978 6.485 1.00 61.51 H new ATOM 0 HB2 LYS A 19 9.240 4.695 5.059 1.00 23.30 H new ATOM 0 HB3 LYS A 19 10.421 5.972 5.269 1.00 23.30 H new ATOM 0 HG2 LYS A 19 10.666 4.627 7.188 1.00 54.14 H new ATOM 0 HG3 LYS A 19 9.744 6.008 7.746 1.00 54.14 H new ATOM 0 HD2 LYS A 19 7.674 4.438 7.048 1.00 43.44 H new ATOM 0 HD3 LYS A 19 8.855 3.173 7.323 1.00 43.44 H new ATOM 0 HE2 LYS A 19 9.150 3.763 9.600 1.00 74.10 H new ATOM 0 HE3 LYS A 19 8.470 5.362 9.374 1.00 74.10 H new ATOM 0 HZ1 LYS A 19 6.924 3.904 10.505 1.00 32.45 H new ATOM 0 HZ2 LYS A 19 6.296 4.354 8.993 1.00 32.45 H new ATOM 0 HZ3 LYS A 19 6.955 2.804 9.212 1.00 32.45 H new ATOM 265 N GLY A 20 8.589 9.007 5.142 1.00 51.03 N ATOM 266 CA GLY A 20 9.035 10.199 4.446 1.00 62.21 C ATOM 267 C GLY A 20 8.012 11.317 4.496 1.00 2.13 C ATOM 268 O GLY A 20 8.348 12.461 4.803 1.00 70.34 O ATOM 0 H GLY A 20 8.033 9.182 5.979 1.00 51.03 H new ATOM 0 HA2 GLY A 20 9.969 10.546 4.888 1.00 62.21 H new ATOM 0 HA3 GLY A 20 9.247 9.951 3.406 1.00 62.21 H new ATOM 272 N ALA A 21 6.761 10.986 4.194 1.00 33.35 N ATOM 273 CA ALA A 21 5.686 11.970 4.208 1.00 35.11 C ATOM 274 C ALA A 21 4.945 11.958 5.541 1.00 45.40 C ATOM 275 O ALA A 21 4.130 11.076 5.818 1.00 64.33 O ATOM 276 CB ALA A 21 4.719 11.712 3.062 1.00 25.13 C ATOM 0 H ALA A 21 6.467 10.044 3.937 1.00 33.35 H new ATOM 0 HA ALA A 21 6.130 12.957 4.079 1.00 35.11 H new ATOM 0 HB1 ALA A 21 3.921 12.454 3.085 1.00 25.13 H new ATOM 0 HB2 ALA A 21 5.252 11.781 2.114 1.00 25.13 H new ATOM 0 HB3 ALA A 21 4.290 10.715 3.165 1.00 25.13 H new ATOM 282 N PRO A 22 5.234 12.954 6.390 1.00 63.43 N ATOM 283 CA PRO A 22 4.605 13.078 7.709 1.00 75.13 C ATOM 284 C PRO A 22 3.130 13.453 7.614 1.00 35.24 C ATOM 285 O PRO A 22 2.504 13.292 6.567 1.00 25.53 O ATOM 286 CB PRO A 22 5.401 14.202 8.377 1.00 74.23 C ATOM 287 CG PRO A 22 5.938 15.011 7.245 1.00 31.44 C ATOM 288 CD PRO A 22 6.195 14.038 6.128 1.00 32.41 C ATOM 0 HA PRO A 22 4.624 12.138 8.260 1.00 75.13 H new ATOM 0 HB2 PRO A 22 4.766 14.804 9.028 1.00 74.23 H new ATOM 0 HB3 PRO A 22 6.205 13.804 8.996 1.00 74.23 H new ATOM 0 HG2 PRO A 22 5.225 15.777 6.940 1.00 31.44 H new ATOM 0 HG3 PRO A 22 6.855 15.526 7.533 1.00 31.44 H new ATOM 0 HD2 PRO A 22 6.029 14.494 5.152 1.00 32.41 H new ATOM 0 HD3 PRO A 22 7.223 13.675 6.140 1.00 32.41 H new ATOM 293 N LYS A 23 2.580 13.955 8.716 1.00 1.42 N ATOM 294 CA LYS A 23 1.180 14.354 8.759 1.00 64.04 C ATOM 295 C LYS A 23 0.897 15.454 7.741 1.00 25.55 C ATOM 296 O LYS A 23 -0.259 15.794 7.483 1.00 32.21 O ATOM 297 CB LYS A 23 0.807 14.835 10.163 1.00 73.21 C ATOM 298 CG LYS A 23 0.417 13.712 11.108 1.00 32.51 C ATOM 299 CD LYS A 23 1.638 13.030 11.697 1.00 23.11 C ATOM 300 CE LYS A 23 1.255 12.074 12.816 1.00 42.44 C ATOM 301 NZ LYS A 23 2.403 11.795 13.725 1.00 32.43 N ATOM 0 H LYS A 23 3.085 14.095 9.591 1.00 1.42 H new ATOM 0 HA LYS A 23 0.573 13.485 8.507 1.00 64.04 H new ATOM 0 HB2 LYS A 23 1.651 15.379 10.588 1.00 73.21 H new ATOM 0 HB3 LYS A 23 -0.021 15.540 10.088 1.00 73.21 H new ATOM 0 HG2 LYS A 23 -0.202 14.110 11.912 1.00 32.51 H new ATOM 0 HG3 LYS A 23 -0.188 12.979 10.574 1.00 32.51 H new ATOM 0 HD2 LYS A 23 2.164 12.484 10.914 1.00 23.11 H new ATOM 0 HD3 LYS A 23 2.328 13.782 12.080 1.00 23.11 H new ATOM 0 HE2 LYS A 23 0.432 12.499 13.391 1.00 42.44 H new ATOM 0 HE3 LYS A 23 0.895 11.139 12.387 1.00 42.44 H new ATOM 0 HZ1 LYS A 23 2.101 11.140 14.474 1.00 32.43 H new ATOM 0 HZ2 LYS A 23 3.180 11.366 13.182 1.00 32.43 H new ATOM 0 HZ3 LYS A 23 2.730 12.684 14.154 1.00 32.43 H new ATOM 311 N LYS A 24 1.957 16.006 7.164 1.00 75.43 N ATOM 312 CA LYS A 24 1.824 17.066 6.171 1.00 60.50 C ATOM 313 C LYS A 24 0.747 16.721 5.147 1.00 35.11 C ATOM 314 O LYS A 24 0.272 15.588 5.068 1.00 31.13 O ATOM 315 CB LYS A 24 3.160 17.301 5.461 1.00 65.22 C ATOM 316 CG LYS A 24 3.895 18.539 5.942 1.00 33.42 C ATOM 317 CD LYS A 24 4.500 18.328 7.320 1.00 20.21 C ATOM 318 CE LYS A 24 4.564 19.630 8.105 1.00 12.13 C ATOM 319 NZ LYS A 24 3.215 20.077 8.552 1.00 51.24 N ATOM 0 H LYS A 24 2.920 15.737 7.367 1.00 75.43 H new ATOM 0 HA LYS A 24 1.530 17.979 6.689 1.00 60.50 H new ATOM 0 HB2 LYS A 24 3.798 16.430 5.608 1.00 65.22 H new ATOM 0 HB3 LYS A 24 2.982 17.388 4.389 1.00 65.22 H new ATOM 0 HG2 LYS A 24 4.683 18.794 5.233 1.00 33.42 H new ATOM 0 HG3 LYS A 24 3.207 19.384 5.971 1.00 33.42 H new ATOM 0 HD2 LYS A 24 3.907 17.598 7.871 1.00 20.21 H new ATOM 0 HD3 LYS A 24 5.503 17.913 7.219 1.00 20.21 H new ATOM 0 HE2 LYS A 24 5.209 19.499 8.974 1.00 12.13 H new ATOM 0 HE3 LYS A 24 5.017 20.405 7.486 1.00 12.13 H new ATOM 0 HZ1 LYS A 24 3.316 20.784 9.308 1.00 51.24 H new ATOM 0 HZ2 LYS A 24 2.705 20.498 7.749 1.00 51.24 H new ATOM 0 HZ3 LYS A 24 2.680 19.261 8.912 1.00 51.24 H new ATOM 366 N ARG A 28 3.648 16.330 -3.635 1.00 61.45 N ATOM 367 CA ARG A 28 4.094 15.550 -4.782 1.00 43.34 C ATOM 368 C ARG A 28 4.738 14.242 -4.332 1.00 51.41 C ATOM 369 O ARG A 28 5.587 14.230 -3.440 1.00 53.11 O ATOM 370 CB ARG A 28 5.086 16.356 -5.621 1.00 74.23 C ATOM 371 CG ARG A 28 4.425 17.385 -6.523 1.00 74.15 C ATOM 372 CD ARG A 28 3.880 16.746 -7.791 1.00 21.32 C ATOM 373 NE ARG A 28 4.896 16.649 -8.836 1.00 65.01 N ATOM 374 CZ ARG A 28 5.316 17.687 -9.550 1.00 51.43 C ATOM 375 NH1 ARG A 28 4.812 18.894 -9.333 1.00 43.24 N ATOM 376 NH2 ARG A 28 6.243 17.518 -10.485 1.00 13.21 N ATOM 0 HA ARG A 28 3.221 15.316 -5.391 1.00 43.34 H new ATOM 0 HB2 ARG A 28 5.784 16.864 -4.955 1.00 74.23 H new ATOM 0 HB3 ARG A 28 5.672 15.671 -6.234 1.00 74.23 H new ATOM 0 HG2 ARG A 28 3.614 17.876 -5.984 1.00 74.15 H new ATOM 0 HG3 ARG A 28 5.147 18.158 -6.785 1.00 74.15 H new ATOM 0 HD2 ARG A 28 3.501 15.750 -7.561 1.00 21.32 H new ATOM 0 HD3 ARG A 28 3.037 17.331 -8.158 1.00 21.32 H new ATOM 0 HE ARG A 28 5.305 15.734 -9.028 1.00 65.01 H new ATOM 0 HH11 ARG A 28 4.099 19.028 -8.616 1.00 43.24 H new ATOM 0 HH12 ARG A 28 5.137 19.689 -9.883 1.00 43.24 H new ATOM 0 HH21 ARG A 28 6.633 16.591 -10.655 1.00 13.21 H new ATOM 0 HH22 ARG A 28 6.566 18.315 -11.033 1.00 13.21 H new ATOM 387 N LEU A 29 4.329 13.141 -4.954 1.00 34.23 N ATOM 388 CA LEU A 29 4.866 11.827 -4.616 1.00 74.43 C ATOM 389 C LEU A 29 4.248 10.745 -5.497 1.00 12.50 C ATOM 390 O LEU A 29 3.192 10.947 -6.095 1.00 61.53 O ATOM 391 CB LEU A 29 4.607 11.512 -3.143 1.00 24.22 C ATOM 392 CG LEU A 29 3.169 11.697 -2.660 1.00 10.40 C ATOM 393 CD1 LEU A 29 2.297 10.539 -3.121 1.00 11.35 C ATOM 394 CD2 LEU A 29 3.128 11.827 -1.143 1.00 64.34 C ATOM 0 H LEU A 29 3.628 13.132 -5.695 1.00 34.23 H new ATOM 0 HA LEU A 29 5.941 11.844 -4.793 1.00 74.43 H new ATOM 0 HB2 LEU A 29 4.902 10.480 -2.956 1.00 24.22 H new ATOM 0 HB3 LEU A 29 5.257 12.144 -2.537 1.00 24.22 H new ATOM 0 HG LEU A 29 2.776 12.616 -3.095 1.00 10.40 H new ATOM 0 HD11 LEU A 29 1.277 10.689 -2.767 1.00 11.35 H new ATOM 0 HD12 LEU A 29 2.300 10.492 -4.210 1.00 11.35 H new ATOM 0 HD13 LEU A 29 2.688 9.605 -2.716 1.00 11.35 H new ATOM 0 HD21 LEU A 29 2.096 11.958 -0.817 1.00 64.34 H new ATOM 0 HD22 LEU A 29 3.540 10.926 -0.689 1.00 64.34 H new ATOM 0 HD23 LEU A 29 3.718 12.690 -0.836 1.00 64.34 H new ATOM 405 N GLU A 30 4.913 9.596 -5.567 1.00 52.23 N ATOM 406 CA GLU A 30 4.428 8.482 -6.373 1.00 4.32 C ATOM 407 C GLU A 30 4.211 7.242 -5.511 1.00 51.31 C ATOM 408 O GLU A 30 5.045 6.903 -4.671 1.00 54.34 O ATOM 409 CB GLU A 30 5.417 8.168 -7.498 1.00 23.02 C ATOM 410 CG GLU A 30 4.794 7.420 -8.665 1.00 75.54 C ATOM 411 CD GLU A 30 5.828 6.737 -9.539 1.00 70.21 C ATOM 412 OE1 GLU A 30 6.998 7.172 -9.522 1.00 72.32 O ATOM 413 OE2 GLU A 30 5.466 5.768 -10.238 1.00 50.14 O ATOM 0 H GLU A 30 5.788 9.413 -5.076 1.00 52.23 H new ATOM 0 HA GLU A 30 3.473 8.772 -6.810 1.00 4.32 H new ATOM 0 HB2 GLU A 30 5.847 9.101 -7.863 1.00 23.02 H new ATOM 0 HB3 GLU A 30 6.238 7.575 -7.094 1.00 23.02 H new ATOM 0 HG2 GLU A 30 4.097 6.674 -8.283 1.00 75.54 H new ATOM 0 HG3 GLU A 30 4.215 8.117 -9.271 1.00 75.54 H new ATOM 418 N TRP A 31 3.087 6.569 -5.724 1.00 21.22 N ATOM 419 CA TRP A 31 2.758 5.367 -4.968 1.00 10.11 C ATOM 420 C TRP A 31 2.581 4.170 -5.895 1.00 74.42 C ATOM 421 O TRP A 31 1.973 4.282 -6.960 1.00 60.15 O ATOM 422 CB TRP A 31 1.485 5.586 -4.148 1.00 61.33 C ATOM 423 CG TRP A 31 1.747 5.798 -2.688 1.00 11.14 C ATOM 424 CD1 TRP A 31 2.321 6.893 -2.109 1.00 51.33 C ATOM 425 CD2 TRP A 31 1.446 4.890 -1.623 1.00 63.20 C ATOM 426 NE1 TRP A 31 2.396 6.721 -0.747 1.00 62.01 N ATOM 427 CE2 TRP A 31 1.865 5.500 -0.424 1.00 71.52 C ATOM 428 CE3 TRP A 31 0.863 3.621 -1.565 1.00 12.10 C ATOM 429 CZ2 TRP A 31 1.717 4.884 0.815 1.00 14.43 C ATOM 430 CZ3 TRP A 31 0.717 3.011 -0.334 1.00 51.23 C ATOM 431 CH2 TRP A 31 1.144 3.643 0.843 1.00 64.12 C ATOM 0 H TRP A 31 2.386 6.836 -6.416 1.00 21.22 H new ATOM 0 HA TRP A 31 3.586 5.158 -4.291 1.00 10.11 H new ATOM 0 HB2 TRP A 31 0.951 6.450 -4.543 1.00 61.33 H new ATOM 0 HB3 TRP A 31 0.830 4.724 -4.271 1.00 61.33 H new ATOM 0 HD1 TRP A 31 2.666 7.766 -2.643 1.00 51.33 H new ATOM 0 HE1 TRP A 31 2.784 7.393 -0.085 1.00 62.01 H new ATOM 0 HE3 TRP A 31 0.533 3.126 -2.466 1.00 12.10 H new ATOM 0 HZ2 TRP A 31 2.043 5.369 1.723 1.00 14.43 H new ATOM 0 HZ3 TRP A 31 0.267 2.031 -0.277 1.00 51.23 H new ATOM 0 HH2 TRP A 31 1.018 3.139 1.790 1.00 64.12 H new ATOM 441 N LYS A 32 3.115 3.025 -5.485 1.00 52.43 N ATOM 442 CA LYS A 32 3.015 1.806 -6.280 1.00 11.43 C ATOM 443 C LYS A 32 2.715 0.602 -5.393 1.00 40.40 C ATOM 444 O LYS A 32 3.260 0.477 -4.294 1.00 62.25 O ATOM 445 CB LYS A 32 4.313 1.571 -7.057 1.00 24.43 C ATOM 446 CG LYS A 32 4.353 2.278 -8.400 1.00 40.12 C ATOM 447 CD LYS A 32 5.640 1.976 -9.150 1.00 60.53 C ATOM 448 CE LYS A 32 6.851 2.553 -8.435 1.00 51.02 C ATOM 449 NZ LYS A 32 6.724 4.022 -8.226 1.00 43.21 N ATOM 0 H LYS A 32 3.622 2.915 -4.607 1.00 52.43 H new ATOM 0 HA LYS A 32 2.194 1.928 -6.986 1.00 11.43 H new ATOM 0 HB2 LYS A 32 5.155 1.909 -6.453 1.00 24.43 H new ATOM 0 HB3 LYS A 32 4.443 0.500 -7.215 1.00 24.43 H new ATOM 0 HG2 LYS A 32 3.499 1.967 -9.001 1.00 40.12 H new ATOM 0 HG3 LYS A 32 4.262 3.354 -8.249 1.00 40.12 H new ATOM 0 HD2 LYS A 32 5.757 0.897 -9.253 1.00 60.53 H new ATOM 0 HD3 LYS A 32 5.580 2.388 -10.157 1.00 60.53 H new ATOM 0 HE2 LYS A 32 6.974 2.058 -7.471 1.00 51.02 H new ATOM 0 HE3 LYS A 32 7.749 2.345 -9.017 1.00 51.02 H new ATOM 0 HZ1 LYS A 32 7.648 4.475 -8.378 1.00 43.21 H new ATOM 0 HZ2 LYS A 32 6.033 4.410 -8.899 1.00 43.21 H new ATOM 0 HZ3 LYS A 32 6.403 4.208 -7.254 1.00 43.21 H new ATOM 459 N LEU A 33 1.851 -0.282 -5.875 1.00 22.32 N ATOM 460 CA LEU A 33 1.481 -1.478 -5.126 1.00 4.13 C ATOM 461 C LEU A 33 1.423 -2.697 -6.040 1.00 64.23 C ATOM 462 O LEU A 33 0.861 -2.639 -7.134 1.00 55.42 O ATOM 463 CB LEU A 33 0.128 -1.275 -4.441 1.00 5.21 C ATOM 464 CG LEU A 33 -0.684 -2.543 -4.172 1.00 64.21 C ATOM 465 CD1 LEU A 33 0.010 -3.413 -3.134 1.00 21.51 C ATOM 466 CD2 LEU A 33 -2.093 -2.188 -3.716 1.00 62.45 C ATOM 0 H LEU A 33 1.392 -0.194 -6.782 1.00 22.32 H new ATOM 0 HA LEU A 33 2.244 -1.653 -4.367 1.00 4.13 H new ATOM 0 HB2 LEU A 33 0.296 -0.767 -3.491 1.00 5.21 H new ATOM 0 HB3 LEU A 33 -0.473 -0.607 -5.058 1.00 5.21 H new ATOM 0 HG LEU A 33 -0.755 -3.109 -5.101 1.00 64.21 H new ATOM 0 HD11 LEU A 33 -0.583 -4.310 -2.956 1.00 21.51 H new ATOM 0 HD12 LEU A 33 0.997 -3.697 -3.499 1.00 21.51 H new ATOM 0 HD13 LEU A 33 0.113 -2.856 -2.203 1.00 21.51 H new ATOM 0 HD21 LEU A 33 -2.656 -3.102 -3.529 1.00 62.45 H new ATOM 0 HD22 LEU A 33 -2.042 -1.600 -2.800 1.00 62.45 H new ATOM 0 HD23 LEU A 33 -2.591 -1.607 -4.492 1.00 62.45 H new ATOM 477 N ASN A 34 2.005 -3.801 -5.585 1.00 2.31 N ATOM 478 CA ASN A 34 2.018 -5.036 -6.361 1.00 54.20 C ATOM 479 C ASN A 34 1.244 -6.137 -5.645 1.00 12.40 C ATOM 480 O ASN A 34 1.564 -6.501 -4.512 1.00 11.41 O ATOM 481 CB ASN A 34 3.458 -5.489 -6.613 1.00 31.34 C ATOM 482 CG ASN A 34 3.528 -6.851 -7.276 1.00 32.54 C ATOM 483 OD1 ASN A 34 3.354 -7.881 -6.624 1.00 24.33 O ATOM 484 ND2 ASN A 34 3.784 -6.862 -8.579 1.00 61.10 N ATOM 0 H ASN A 34 2.474 -3.866 -4.682 1.00 2.31 H new ATOM 0 HA ASN A 34 1.533 -4.840 -7.317 1.00 54.20 H new ATOM 0 HB2 ASN A 34 3.962 -4.755 -7.242 1.00 31.34 H new ATOM 0 HB3 ASN A 34 3.997 -5.521 -5.666 1.00 31.34 H new ATOM 0 HD21 ASN A 34 3.843 -7.749 -9.080 1.00 61.10 H new ATOM 0 HD22 ASN A 34 3.921 -5.984 -9.079 1.00 61.10 H new ATOM 490 N THR A 35 0.224 -6.667 -6.311 1.00 32.30 N ATOM 491 CA THR A 35 -0.596 -7.727 -5.738 1.00 62.42 C ATOM 492 C THR A 35 -0.903 -8.805 -6.774 1.00 33.14 C ATOM 493 O THR A 35 -0.484 -8.710 -7.925 1.00 55.41 O ATOM 494 CB THR A 35 -1.921 -7.174 -5.182 1.00 74.33 C ATOM 495 OG1 THR A 35 -2.664 -6.535 -6.228 1.00 10.13 O ATOM 496 CG2 THR A 35 -1.664 -6.181 -4.057 1.00 61.44 C ATOM 0 H THR A 35 -0.055 -6.379 -7.249 1.00 32.30 H new ATOM 0 HA THR A 35 -0.022 -8.164 -4.921 1.00 62.42 H new ATOM 0 HB THR A 35 -2.498 -8.009 -4.784 1.00 74.33 H new ATOM 0 HG1 THR A 35 -3.506 -6.188 -5.866 1.00 10.13 H new ATOM 0 HG21 THR A 35 -2.615 -5.804 -3.680 1.00 61.44 H new ATOM 0 HG22 THR A 35 -1.125 -6.677 -3.250 1.00 61.44 H new ATOM 0 HG23 THR A 35 -1.068 -5.350 -4.434 1.00 61.44 H new ATOM 504 N GLY A 36 -1.641 -9.828 -6.354 1.00 44.42 N ATOM 505 CA GLY A 36 -1.992 -10.910 -7.257 1.00 34.34 C ATOM 506 C GLY A 36 -0.819 -11.823 -7.550 1.00 70.10 C ATOM 507 O GLY A 36 -0.120 -12.260 -6.635 1.00 74.11 O ATOM 0 H GLY A 36 -2.002 -9.927 -5.405 1.00 44.42 H new ATOM 0 HA2 GLY A 36 -2.803 -11.494 -6.822 1.00 34.34 H new ATOM 0 HA3 GLY A 36 -2.366 -10.492 -8.192 1.00 34.34 H new ATOM 511 N ARG A 37 -0.605 -12.118 -8.828 1.00 34.22 N ATOM 512 CA ARG A 37 0.489 -12.990 -9.238 1.00 74.43 C ATOM 513 C ARG A 37 1.540 -12.211 -10.024 1.00 35.34 C ATOM 514 O ARG A 37 2.739 -12.453 -9.889 1.00 64.30 O ATOM 515 CB ARG A 37 -0.043 -14.148 -10.087 1.00 34.42 C ATOM 516 CG ARG A 37 -0.409 -15.379 -9.274 1.00 31.52 C ATOM 517 CD ARG A 37 -1.608 -15.116 -8.375 1.00 2.10 C ATOM 518 NE ARG A 37 -2.734 -14.553 -9.115 1.00 33.34 N ATOM 519 CZ ARG A 37 -3.465 -15.245 -9.982 1.00 41.41 C ATOM 520 NH1 ARG A 37 -3.188 -16.521 -10.216 1.00 2.21 N ATOM 521 NH2 ARG A 37 -4.474 -14.663 -10.615 1.00 2.40 N ATOM 0 H ARG A 37 -1.175 -11.766 -9.597 1.00 34.22 H new ATOM 0 HA ARG A 37 0.956 -13.392 -8.339 1.00 74.43 H new ATOM 0 HB2 ARG A 37 -0.922 -13.811 -10.637 1.00 34.42 H new ATOM 0 HB3 ARG A 37 0.710 -14.421 -10.826 1.00 34.42 H new ATOM 0 HG2 ARG A 37 -0.632 -16.208 -9.946 1.00 31.52 H new ATOM 0 HG3 ARG A 37 0.444 -15.682 -8.666 1.00 31.52 H new ATOM 0 HD2 ARG A 37 -1.916 -16.047 -7.900 1.00 2.10 H new ATOM 0 HD3 ARG A 37 -1.320 -14.431 -7.577 1.00 2.10 H new ATOM 0 HE ARG A 37 -2.973 -13.574 -8.957 1.00 33.34 H new ATOM 0 HH11 ARG A 37 -2.413 -16.972 -9.730 1.00 2.21 H new ATOM 0 HH12 ARG A 37 -3.750 -17.051 -10.882 1.00 2.21 H new ATOM 0 HH21 ARG A 37 -4.690 -13.682 -10.437 1.00 2.40 H new ATOM 0 HH22 ARG A 37 -5.034 -15.196 -11.280 1.00 2.40 H new ATOM 532 N THR A 38 1.081 -11.273 -10.847 1.00 71.33 N ATOM 533 CA THR A 38 1.980 -10.459 -11.657 1.00 3.45 C ATOM 534 C THR A 38 1.203 -9.451 -12.495 1.00 64.24 C ATOM 535 O THR A 38 1.708 -8.375 -12.812 1.00 72.30 O ATOM 536 CB THR A 38 2.841 -11.332 -12.588 1.00 52.01 C ATOM 537 OG1 THR A 38 3.921 -10.559 -13.123 1.00 14.40 O ATOM 538 CG2 THR A 38 2.005 -11.896 -13.726 1.00 65.35 C ATOM 0 H THR A 38 0.092 -11.058 -10.970 1.00 71.33 H new ATOM 0 HA THR A 38 2.633 -9.925 -10.967 1.00 3.45 H new ATOM 0 HB THR A 38 3.241 -12.162 -12.005 1.00 52.01 H new ATOM 0 HG1 THR A 38 4.465 -11.121 -13.713 1.00 14.40 H new ATOM 0 HG21 THR A 38 2.635 -12.509 -14.371 1.00 65.35 H new ATOM 0 HG22 THR A 38 1.200 -12.507 -13.318 1.00 65.35 H new ATOM 0 HG23 THR A 38 1.581 -11.077 -14.306 1.00 65.35 H new ATOM 546 N GLU A 39 -0.027 -9.808 -12.853 1.00 4.13 N ATOM 547 CA GLU A 39 -0.872 -8.933 -13.656 1.00 75.33 C ATOM 548 C GLU A 39 -1.900 -8.217 -12.784 1.00 64.34 C ATOM 549 O GLU A 39 -3.022 -7.955 -13.217 1.00 1.15 O ATOM 550 CB GLU A 39 -1.583 -9.735 -14.747 1.00 63.23 C ATOM 551 CG GLU A 39 -2.116 -11.076 -14.269 1.00 31.22 C ATOM 552 CD GLU A 39 -2.867 -11.825 -15.352 1.00 51.30 C ATOM 553 OE1 GLU A 39 -2.895 -11.336 -16.501 1.00 3.32 O ATOM 554 OE2 GLU A 39 -3.427 -12.899 -15.051 1.00 5.41 O ATOM 0 H GLU A 39 -0.459 -10.696 -12.600 1.00 4.13 H new ATOM 0 HA GLU A 39 -0.233 -8.183 -14.123 1.00 75.33 H new ATOM 0 HB2 GLU A 39 -2.410 -9.144 -15.139 1.00 63.23 H new ATOM 0 HB3 GLU A 39 -0.891 -9.902 -15.572 1.00 63.23 H new ATOM 0 HG2 GLU A 39 -1.286 -11.689 -13.918 1.00 31.22 H new ATOM 0 HG3 GLU A 39 -2.777 -10.917 -13.417 1.00 31.22 H new ATOM 559 N ALA A 40 -1.509 -7.907 -11.552 1.00 54.11 N ATOM 560 CA ALA A 40 -2.394 -7.221 -10.620 1.00 61.30 C ATOM 561 C ALA A 40 -1.744 -5.952 -10.077 1.00 44.23 C ATOM 562 O ALA A 40 -2.373 -5.184 -9.349 1.00 61.52 O ATOM 563 CB ALA A 40 -2.777 -8.151 -9.476 1.00 72.23 C ATOM 0 H ALA A 40 -0.585 -8.120 -11.177 1.00 54.11 H new ATOM 0 HA ALA A 40 -3.296 -6.933 -11.159 1.00 61.30 H new ATOM 0 HB1 ALA A 40 -3.438 -7.626 -8.787 1.00 72.23 H new ATOM 0 HB2 ALA A 40 -3.289 -9.027 -9.875 1.00 72.23 H new ATOM 0 HB3 ALA A 40 -1.878 -8.466 -8.947 1.00 72.23 H new ATOM 569 N TRP A 41 -0.483 -5.740 -10.435 1.00 24.15 N ATOM 570 CA TRP A 41 0.252 -4.564 -9.983 1.00 11.12 C ATOM 571 C TRP A 41 -0.349 -3.290 -10.564 1.00 32.50 C ATOM 572 O TRP A 41 -0.577 -3.192 -11.771 1.00 42.34 O ATOM 573 CB TRP A 41 1.726 -4.675 -10.377 1.00 60.44 C ATOM 574 CG TRP A 41 2.477 -3.386 -10.234 1.00 24.32 C ATOM 575 CD1 TRP A 41 2.979 -2.854 -9.081 1.00 53.02 C ATOM 576 CD2 TRP A 41 2.809 -2.467 -11.282 1.00 13.33 C ATOM 577 NE1 TRP A 41 3.604 -1.659 -9.348 1.00 60.31 N ATOM 578 CE2 TRP A 41 3.515 -1.401 -10.690 1.00 71.12 C ATOM 579 CE3 TRP A 41 2.581 -2.443 -12.659 1.00 71.44 C ATOM 580 CZ2 TRP A 41 3.990 -0.322 -11.432 1.00 43.23 C ATOM 581 CZ3 TRP A 41 3.055 -1.372 -13.394 1.00 12.01 C ATOM 582 CH2 TRP A 41 3.754 -0.324 -12.780 1.00 64.10 C ATOM 0 H TRP A 41 0.052 -6.366 -11.037 1.00 24.15 H new ATOM 0 HA TRP A 41 0.177 -4.515 -8.897 1.00 11.12 H new ATOM 0 HB2 TRP A 41 2.203 -5.436 -9.760 1.00 60.44 H new ATOM 0 HB3 TRP A 41 1.794 -5.014 -11.411 1.00 60.44 H new ATOM 0 HD1 TRP A 41 2.897 -3.305 -8.103 1.00 53.02 H new ATOM 0 HE1 TRP A 41 4.060 -1.061 -8.658 1.00 60.31 H new ATOM 0 HE3 TRP A 41 2.044 -3.246 -13.141 1.00 71.44 H new ATOM 0 HZ2 TRP A 41 4.526 0.488 -10.960 1.00 43.23 H new ATOM 0 HZ3 TRP A 41 2.884 -1.343 -14.460 1.00 12.01 H new ATOM 0 HH2 TRP A 41 4.113 0.498 -13.382 1.00 64.10 H new ATOM 592 N LYS A 42 -0.604 -2.313 -9.702 1.00 31.32 N ATOM 593 CA LYS A 42 -1.178 -1.043 -10.129 1.00 62.42 C ATOM 594 C LYS A 42 -0.461 0.129 -9.468 1.00 4.42 C ATOM 595 O LYS A 42 0.179 -0.029 -8.428 1.00 13.22 O ATOM 596 CB LYS A 42 -2.670 -0.995 -9.796 1.00 20.44 C ATOM 597 CG LYS A 42 -3.272 -2.358 -9.499 1.00 55.42 C ATOM 598 CD LYS A 42 -3.095 -2.739 -8.039 1.00 51.02 C ATOM 599 CE LYS A 42 -3.913 -1.838 -7.125 1.00 3.14 C ATOM 600 NZ LYS A 42 -5.334 -1.748 -7.562 1.00 5.24 N ATOM 0 H LYS A 42 -0.422 -2.376 -8.700 1.00 31.32 H new ATOM 0 HA LYS A 42 -1.051 -0.962 -11.208 1.00 62.42 H new ATOM 0 HB2 LYS A 42 -2.820 -0.345 -8.934 1.00 20.44 H new ATOM 0 HB3 LYS A 42 -3.206 -0.545 -10.632 1.00 20.44 H new ATOM 0 HG2 LYS A 42 -4.333 -2.350 -9.748 1.00 55.42 H new ATOM 0 HG3 LYS A 42 -2.802 -3.110 -10.132 1.00 55.42 H new ATOM 0 HD2 LYS A 42 -3.396 -3.776 -7.893 1.00 51.02 H new ATOM 0 HD3 LYS A 42 -2.041 -2.672 -7.769 1.00 51.02 H new ATOM 0 HE2 LYS A 42 -3.870 -2.220 -6.105 1.00 3.14 H new ATOM 0 HE3 LYS A 42 -3.474 -0.841 -7.110 1.00 3.14 H new ATOM 0 HZ1 LYS A 42 -5.917 -1.393 -6.777 1.00 5.24 H new ATOM 0 HZ2 LYS A 42 -5.408 -1.097 -8.370 1.00 5.24 H new ATOM 0 HZ3 LYS A 42 -5.671 -2.691 -7.845 1.00 5.24 H new ATOM 610 N VAL A 43 -0.572 1.306 -10.076 1.00 20.43 N ATOM 611 CA VAL A 43 0.064 2.504 -9.544 1.00 34.25 C ATOM 612 C VAL A 43 -0.911 3.313 -8.693 1.00 10.42 C ATOM 613 O VAL A 43 -1.950 3.760 -9.178 1.00 24.21 O ATOM 614 CB VAL A 43 0.608 3.400 -10.673 1.00 33.42 C ATOM 615 CG1 VAL A 43 1.510 4.485 -10.106 1.00 73.42 C ATOM 616 CG2 VAL A 43 1.349 2.565 -11.705 1.00 25.31 C ATOM 0 H VAL A 43 -1.097 1.455 -10.938 1.00 20.43 H new ATOM 0 HA VAL A 43 0.895 2.171 -8.922 1.00 34.25 H new ATOM 0 HB VAL A 43 -0.235 3.883 -11.167 1.00 33.42 H new ATOM 0 HG11 VAL A 43 1.885 5.108 -10.918 1.00 73.42 H new ATOM 0 HG12 VAL A 43 0.943 5.101 -9.408 1.00 73.42 H new ATOM 0 HG13 VAL A 43 2.349 4.025 -9.585 1.00 73.42 H new ATOM 0 HG21 VAL A 43 1.726 3.214 -12.495 1.00 25.31 H new ATOM 0 HG22 VAL A 43 2.184 2.052 -11.227 1.00 25.31 H new ATOM 0 HG23 VAL A 43 0.669 1.829 -12.134 1.00 25.31 H new ATOM 626 N LEU A 44 -0.566 3.496 -7.423 1.00 65.31 N ATOM 627 CA LEU A 44 -1.412 4.251 -6.504 1.00 51.31 C ATOM 628 C LEU A 44 -1.037 5.730 -6.510 1.00 41.15 C ATOM 629 O LEU A 44 0.134 6.083 -6.655 1.00 22.14 O ATOM 630 CB LEU A 44 -1.288 3.688 -5.087 1.00 63.42 C ATOM 631 CG LEU A 44 -2.299 2.606 -4.705 1.00 25.51 C ATOM 632 CD1 LEU A 44 -3.680 3.211 -4.514 1.00 3.14 C ATOM 633 CD2 LEU A 44 -2.335 1.513 -5.762 1.00 42.24 C ATOM 0 H LEU A 44 0.291 3.133 -7.007 1.00 65.31 H new ATOM 0 HA LEU A 44 -2.445 4.155 -6.838 1.00 51.31 H new ATOM 0 HB2 LEU A 44 -0.285 3.279 -4.966 1.00 63.42 H new ATOM 0 HB3 LEU A 44 -1.383 4.512 -4.380 1.00 63.42 H new ATOM 0 HG LEU A 44 -1.986 2.160 -3.761 1.00 25.51 H new ATOM 0 HD11 LEU A 44 -4.387 2.427 -4.243 1.00 3.14 H new ATOM 0 HD12 LEU A 44 -3.644 3.957 -3.720 1.00 3.14 H new ATOM 0 HD13 LEU A 44 -4.002 3.684 -5.442 1.00 3.14 H new ATOM 0 HD21 LEU A 44 -3.060 0.752 -5.474 1.00 42.24 H new ATOM 0 HD22 LEU A 44 -2.623 1.944 -6.721 1.00 42.24 H new ATOM 0 HD23 LEU A 44 -1.348 1.059 -5.850 1.00 42.24 H new ATOM 644 N SER A 45 -2.037 6.590 -6.351 1.00 4.35 N ATOM 645 CA SER A 45 -1.813 8.030 -6.339 1.00 10.32 C ATOM 646 C SER A 45 -2.422 8.665 -5.092 1.00 11.13 C ATOM 647 O SER A 45 -3.252 8.071 -4.405 1.00 20.44 O ATOM 648 CB SER A 45 -2.410 8.671 -7.594 1.00 72.13 C ATOM 649 OG SER A 45 -3.247 7.759 -8.282 1.00 33.43 O ATOM 0 H SER A 45 -3.011 6.314 -6.229 1.00 4.35 H new ATOM 0 HA SER A 45 -0.737 8.205 -6.326 1.00 10.32 H new ATOM 0 HB2 SER A 45 -2.982 9.557 -7.317 1.00 72.13 H new ATOM 0 HB3 SER A 45 -1.608 9.003 -8.254 1.00 72.13 H new ATOM 0 HG SER A 45 -3.618 8.192 -9.079 1.00 33.43 H new ATOM 772 N ALA A 56 -9.363 0.911 -2.245 1.00 31.12 N ATOM 773 CA ALA A 56 -8.828 1.616 -1.088 1.00 32.02 C ATOM 774 C ALA A 56 -8.583 3.088 -1.407 1.00 13.10 C ATOM 775 O ALA A 56 -8.698 3.511 -2.557 1.00 15.22 O ATOM 776 CB ALA A 56 -7.540 0.957 -0.617 1.00 42.44 C ATOM 0 HA ALA A 56 -9.566 1.561 -0.288 1.00 32.02 H new ATOM 0 HB1 ALA A 56 -7.152 1.494 0.248 1.00 42.44 H new ATOM 0 HB2 ALA A 56 -7.741 -0.078 -0.341 1.00 42.44 H new ATOM 0 HB3 ALA A 56 -6.804 0.982 -1.420 1.00 42.44 H new ATOM 782 N ARG A 57 -8.246 3.863 -0.380 1.00 64.31 N ATOM 783 CA ARG A 57 -7.988 5.288 -0.552 1.00 63.32 C ATOM 784 C ARG A 57 -6.599 5.654 -0.037 1.00 42.44 C ATOM 785 O ARG A 57 -6.006 4.921 0.753 1.00 43.34 O ATOM 786 CB ARG A 57 -9.048 6.111 0.181 1.00 24.33 C ATOM 787 CG ARG A 57 -10.370 5.382 0.361 1.00 43.44 C ATOM 788 CD ARG A 57 -10.390 4.574 1.650 1.00 73.52 C ATOM 789 NE ARG A 57 -11.571 4.864 2.459 1.00 72.23 N ATOM 790 CZ ARG A 57 -11.688 5.938 3.231 1.00 12.51 C ATOM 791 NH1 ARG A 57 -10.699 6.820 3.299 1.00 75.31 N ATOM 792 NH2 ARG A 57 -12.793 6.133 3.937 1.00 2.14 N ATOM 0 H ARG A 57 -8.145 3.528 0.578 1.00 64.31 H new ATOM 0 HA ARG A 57 -8.034 5.515 -1.617 1.00 63.32 H new ATOM 0 HB2 ARG A 57 -8.663 6.394 1.161 1.00 24.33 H new ATOM 0 HB3 ARG A 57 -9.224 7.034 -0.371 1.00 24.33 H new ATOM 0 HG2 ARG A 57 -11.187 6.104 0.370 1.00 43.44 H new ATOM 0 HG3 ARG A 57 -10.540 4.719 -0.488 1.00 43.44 H new ATOM 0 HD2 ARG A 57 -10.366 3.511 1.412 1.00 73.52 H new ATOM 0 HD3 ARG A 57 -9.492 4.792 2.228 1.00 73.52 H new ATOM 0 HE ARG A 57 -12.349 4.205 2.429 1.00 72.23 H new ATOM 0 HH11 ARG A 57 -9.847 6.674 2.758 1.00 75.31 H new ATOM 0 HH12 ARG A 57 -10.791 7.644 3.893 1.00 75.31 H new ATOM 0 HH21 ARG A 57 -13.555 5.457 3.888 1.00 2.14 H new ATOM 0 HH22 ARG A 57 -12.881 6.959 4.529 1.00 2.14 H new ATOM 803 N VAL A 58 -6.087 6.793 -0.492 1.00 22.24 N ATOM 804 CA VAL A 58 -4.768 7.257 -0.078 1.00 23.13 C ATOM 805 C VAL A 58 -4.877 8.461 0.852 1.00 34.00 C ATOM 806 O VAL A 58 -5.528 9.453 0.526 1.00 72.10 O ATOM 807 CB VAL A 58 -3.899 7.635 -1.292 1.00 11.13 C ATOM 808 CG1 VAL A 58 -2.626 8.337 -0.840 1.00 43.32 C ATOM 809 CG2 VAL A 58 -3.574 6.402 -2.118 1.00 64.44 C ATOM 0 H VAL A 58 -6.565 7.411 -1.147 1.00 22.24 H new ATOM 0 HA VAL A 58 -4.294 6.432 0.454 1.00 23.13 H new ATOM 0 HB VAL A 58 -4.462 8.326 -1.920 1.00 11.13 H new ATOM 0 HG11 VAL A 58 -2.025 8.596 -1.711 1.00 43.32 H new ATOM 0 HG12 VAL A 58 -2.885 9.244 -0.295 1.00 43.32 H new ATOM 0 HG13 VAL A 58 -2.056 7.673 -0.190 1.00 43.32 H new ATOM 0 HG21 VAL A 58 -2.959 6.688 -2.972 1.00 64.44 H new ATOM 0 HG22 VAL A 58 -3.030 5.685 -1.503 1.00 64.44 H new ATOM 0 HG23 VAL A 58 -4.499 5.948 -2.473 1.00 64.44 H new ATOM 819 N LEU A 59 -4.233 8.367 2.010 1.00 51.42 N ATOM 820 CA LEU A 59 -4.256 9.449 2.987 1.00 34.20 C ATOM 821 C LEU A 59 -3.467 10.655 2.484 1.00 43.23 C ATOM 822 O LEU A 59 -2.592 10.540 1.627 1.00 54.24 O ATOM 823 CB LEU A 59 -3.680 8.971 4.322 1.00 45.21 C ATOM 824 CG LEU A 59 -4.565 8.022 5.131 1.00 2.54 C ATOM 825 CD1 LEU A 59 -3.867 7.609 6.418 1.00 52.42 C ATOM 826 CD2 LEU A 59 -5.907 8.672 5.435 1.00 10.23 C ATOM 0 H LEU A 59 -3.689 7.553 2.295 1.00 51.42 H new ATOM 0 HA LEU A 59 -5.293 9.751 3.132 1.00 34.20 H new ATOM 0 HB2 LEU A 59 -2.730 8.474 4.128 1.00 45.21 H new ATOM 0 HB3 LEU A 59 -3.463 9.845 4.935 1.00 45.21 H new ATOM 0 HG LEU A 59 -4.745 7.127 4.535 1.00 2.54 H new ATOM 0 HD11 LEU A 59 -4.511 6.934 6.981 1.00 52.42 H new ATOM 0 HD12 LEU A 59 -2.932 7.103 6.178 1.00 52.42 H new ATOM 0 HD13 LEU A 59 -3.657 8.494 7.018 1.00 52.42 H new ATOM 0 HD21 LEU A 59 -6.523 7.982 6.011 1.00 10.23 H new ATOM 0 HD22 LEU A 59 -5.748 9.584 6.011 1.00 10.23 H new ATOM 0 HD23 LEU A 59 -6.413 8.917 4.501 1.00 10.23 H new ATOM 837 N PRO A 60 -3.782 11.838 3.031 1.00 1.20 N ATOM 838 CA PRO A 60 -3.113 13.086 2.655 1.00 70.31 C ATOM 839 C PRO A 60 -1.668 13.139 3.138 1.00 41.53 C ATOM 840 O PRO A 60 -0.846 13.872 2.590 1.00 40.24 O ATOM 841 CB PRO A 60 -3.949 14.162 3.355 1.00 53.22 C ATOM 842 CG PRO A 60 -4.574 13.462 4.511 1.00 42.10 C ATOM 843 CD PRO A 60 -4.815 12.048 4.059 1.00 33.31 C ATOM 0 HA PRO A 60 -3.056 13.206 1.573 1.00 70.31 H new ATOM 0 HB2 PRO A 60 -3.327 14.994 3.685 1.00 53.22 H new ATOM 0 HB3 PRO A 60 -4.704 14.574 2.686 1.00 53.22 H new ATOM 0 HG2 PRO A 60 -3.920 13.487 5.382 1.00 42.10 H new ATOM 0 HG3 PRO A 60 -5.508 13.944 4.800 1.00 42.10 H new ATOM 0 HD2 PRO A 60 -4.713 11.340 4.882 1.00 33.31 H new ATOM 0 HD3 PRO A 60 -5.818 11.922 3.652 1.00 33.31 H new ATOM 848 N ASN A 61 -1.364 12.355 4.168 1.00 72.24 N ATOM 849 CA ASN A 61 -0.017 12.311 4.725 1.00 61.25 C ATOM 850 C ASN A 61 0.876 11.373 3.916 1.00 33.15 C ATOM 851 O ASN A 61 2.049 11.189 4.235 1.00 42.11 O ATOM 852 CB ASN A 61 -0.060 11.860 6.186 1.00 40.12 C ATOM 853 CG ASN A 61 -0.930 10.633 6.386 1.00 72.24 C ATOM 854 OD1 ASN A 61 -1.184 9.878 5.447 1.00 21.13 O ATOM 855 ND2 ASN A 61 -1.391 10.429 7.614 1.00 63.53 N ATOM 0 H ASN A 61 -2.033 11.742 4.634 1.00 72.24 H new ATOM 0 HA ASN A 61 0.403 13.316 4.675 1.00 61.25 H new ATOM 0 HB2 ASN A 61 0.953 11.644 6.527 1.00 40.12 H new ATOM 0 HB3 ASN A 61 -0.437 12.675 6.804 1.00 40.12 H new ATOM 0 HD21 ASN A 61 -1.981 9.620 7.809 1.00 63.53 H new ATOM 0 HD22 ASN A 61 -1.155 11.081 8.362 1.00 63.53 H new ATOM 861 N GLY A 62 0.308 10.783 2.868 1.00 12.40 N ATOM 862 CA GLY A 62 1.067 9.872 2.031 1.00 2.32 C ATOM 863 C GLY A 62 0.925 8.428 2.470 1.00 32.21 C ATOM 864 O GLY A 62 1.783 7.595 2.174 1.00 41.11 O ATOM 0 H GLY A 62 -0.662 10.919 2.584 1.00 12.40 H new ATOM 0 HA2 GLY A 62 0.733 9.969 0.998 1.00 2.32 H new ATOM 0 HA3 GLY A 62 2.120 10.154 2.054 1.00 2.32 H new ATOM 868 N SER A 63 -0.160 8.129 3.177 1.00 34.51 N ATOM 869 CA SER A 63 -0.408 6.777 3.661 1.00 43.00 C ATOM 870 C SER A 63 -1.501 6.099 2.842 1.00 22.31 C ATOM 871 O SER A 63 -2.078 6.700 1.935 1.00 32.20 O ATOM 872 CB SER A 63 -0.806 6.807 5.138 1.00 14.31 C ATOM 873 OG SER A 63 0.330 6.975 5.968 1.00 1.41 O ATOM 0 H SER A 63 -0.881 8.805 3.427 1.00 34.51 H new ATOM 0 HA SER A 63 0.512 6.203 3.551 1.00 43.00 H new ATOM 0 HB2 SER A 63 -1.511 7.620 5.312 1.00 14.31 H new ATOM 0 HB3 SER A 63 -1.317 5.881 5.399 1.00 14.31 H new ATOM 0 HG SER A 63 0.049 6.993 6.907 1.00 1.41 H new ATOM 878 N LEU A 64 -1.785 4.843 3.169 1.00 51.44 N ATOM 879 CA LEU A 64 -2.810 4.081 2.464 1.00 44.52 C ATOM 880 C LEU A 64 -3.759 3.406 3.448 1.00 0.05 C ATOM 881 O LEU A 64 -3.327 2.731 4.383 1.00 41.33 O ATOM 882 CB LEU A 64 -2.161 3.028 1.562 1.00 34.31 C ATOM 883 CG LEU A 64 -3.121 2.147 0.763 1.00 31.51 C ATOM 884 CD1 LEU A 64 -3.465 2.802 -0.566 1.00 75.30 C ATOM 885 CD2 LEU A 64 -2.517 0.768 0.539 1.00 30.43 C ATOM 0 H LEU A 64 -1.320 4.331 3.918 1.00 51.44 H new ATOM 0 HA LEU A 64 -3.384 4.774 1.849 1.00 44.52 H new ATOM 0 HB2 LEU A 64 -1.498 3.537 0.862 1.00 34.31 H new ATOM 0 HB3 LEU A 64 -1.537 2.383 2.181 1.00 34.31 H new ATOM 0 HG LEU A 64 -4.041 2.031 1.337 1.00 31.51 H new ATOM 0 HD11 LEU A 64 -4.149 2.161 -1.121 1.00 75.30 H new ATOM 0 HD12 LEU A 64 -3.939 3.767 -0.384 1.00 75.30 H new ATOM 0 HD13 LEU A 64 -2.554 2.949 -1.146 1.00 75.30 H new ATOM 0 HD21 LEU A 64 -3.214 0.154 -0.031 1.00 30.43 H new ATOM 0 HD22 LEU A 64 -1.583 0.865 -0.014 1.00 30.43 H new ATOM 0 HD23 LEU A 64 -2.321 0.296 1.502 1.00 30.43 H new ATOM 896 N PHE A 65 -5.057 3.593 3.234 1.00 71.54 N ATOM 897 CA PHE A 65 -6.070 3.001 4.100 1.00 35.23 C ATOM 898 C PHE A 65 -7.069 2.181 3.291 1.00 54.34 C ATOM 899 O PHE A 65 -7.623 2.658 2.300 1.00 60.33 O ATOM 900 CB PHE A 65 -6.805 4.094 4.880 1.00 0.40 C ATOM 901 CG PHE A 65 -8.060 3.612 5.548 1.00 21.44 C ATOM 902 CD1 PHE A 65 -8.075 2.416 6.248 1.00 71.24 C ATOM 903 CD2 PHE A 65 -9.229 4.355 5.475 1.00 52.11 C ATOM 904 CE1 PHE A 65 -9.230 1.971 6.861 1.00 4.34 C ATOM 905 CE2 PHE A 65 -10.386 3.914 6.088 1.00 62.21 C ATOM 906 CZ PHE A 65 -10.386 2.720 6.783 1.00 20.32 C ATOM 0 H PHE A 65 -5.433 4.151 2.467 1.00 71.54 H new ATOM 0 HA PHE A 65 -5.567 2.336 4.802 1.00 35.23 H new ATOM 0 HB2 PHE A 65 -6.135 4.503 5.636 1.00 0.40 H new ATOM 0 HB3 PHE A 65 -7.054 4.909 4.201 1.00 0.40 H new ATOM 0 HD1 PHE A 65 -7.173 1.825 6.315 1.00 71.24 H new ATOM 0 HD2 PHE A 65 -9.235 5.289 4.933 1.00 52.11 H new ATOM 0 HE1 PHE A 65 -9.228 1.036 7.402 1.00 4.34 H new ATOM 0 HE2 PHE A 65 -11.290 4.502 6.024 1.00 62.21 H new ATOM 0 HZ PHE A 65 -11.289 2.374 7.264 1.00 20.32 H new ATOM 915 N LEU A 66 -7.292 0.942 3.717 1.00 0.43 N ATOM 916 CA LEU A 66 -8.224 0.053 3.032 1.00 50.21 C ATOM 917 C LEU A 66 -9.344 -0.387 3.969 1.00 43.45 C ATOM 918 O LEU A 66 -9.108 -0.828 5.095 1.00 53.00 O ATOM 919 CB LEU A 66 -7.484 -1.171 2.490 1.00 14.14 C ATOM 920 CG LEU A 66 -6.173 -0.892 1.753 1.00 50.34 C ATOM 921 CD1 LEU A 66 -4.986 -1.100 2.680 1.00 11.25 C ATOM 922 CD2 LEU A 66 -6.053 -1.779 0.523 1.00 5.13 C ATOM 0 H LEU A 66 -6.840 0.531 4.534 1.00 0.43 H new ATOM 0 HA LEU A 66 -8.667 0.600 2.200 1.00 50.21 H new ATOM 0 HB2 LEU A 66 -7.273 -1.842 3.323 1.00 14.14 H new ATOM 0 HB3 LEU A 66 -8.152 -1.704 1.813 1.00 14.14 H new ATOM 0 HG LEU A 66 -6.176 0.148 1.427 1.00 50.34 H new ATOM 0 HD11 LEU A 66 -4.062 -0.897 2.139 1.00 11.25 H new ATOM 0 HD12 LEU A 66 -5.065 -0.422 3.530 1.00 11.25 H new ATOM 0 HD13 LEU A 66 -4.979 -2.130 3.037 1.00 11.25 H new ATOM 0 HD21 LEU A 66 -5.114 -1.567 0.011 1.00 5.13 H new ATOM 0 HD22 LEU A 66 -6.072 -2.826 0.826 1.00 5.13 H new ATOM 0 HD23 LEU A 66 -6.886 -1.581 -0.151 1.00 5.13 H new ATOM 933 N PRO A 67 -10.592 -0.272 3.493 1.00 4.52 N ATOM 934 CA PRO A 67 -11.774 -0.658 4.270 1.00 1.25 C ATOM 935 C PRO A 67 -11.879 -2.168 4.457 1.00 62.31 C ATOM 936 O PRO A 67 -12.365 -2.644 5.482 1.00 52.01 O ATOM 937 CB PRO A 67 -12.939 -0.140 3.426 1.00 63.24 C ATOM 938 CG PRO A 67 -12.406 -0.095 2.034 1.00 24.24 C ATOM 939 CD PRO A 67 -10.947 0.242 2.160 1.00 3.45 C ATOM 0 HA PRO A 67 -11.748 -0.249 5.280 1.00 1.25 H new ATOM 0 HB2 PRO A 67 -13.804 -0.799 3.498 1.00 63.24 H new ATOM 0 HB3 PRO A 67 -13.261 0.847 3.759 1.00 63.24 H new ATOM 0 HG2 PRO A 67 -12.543 -1.053 1.532 1.00 24.24 H new ATOM 0 HG3 PRO A 67 -12.930 0.654 1.440 1.00 24.24 H new ATOM 0 HD2 PRO A 67 -10.356 -0.232 1.376 1.00 3.45 H new ATOM 0 HD3 PRO A 67 -10.775 1.316 2.084 1.00 3.45 H new ATOM 944 N ALA A 68 -11.421 -2.915 3.458 1.00 32.10 N ATOM 945 CA ALA A 68 -11.462 -4.371 3.513 1.00 51.44 C ATOM 946 C ALA A 68 -10.541 -4.986 2.464 1.00 61.51 C ATOM 947 O ALA A 68 -10.888 -5.060 1.285 1.00 72.11 O ATOM 948 CB ALA A 68 -12.887 -4.867 3.320 1.00 20.13 C ATOM 0 H ALA A 68 -11.017 -2.536 2.601 1.00 32.10 H new ATOM 0 HA ALA A 68 -11.110 -4.682 4.497 1.00 51.44 H new ATOM 0 HB1 ALA A 68 -12.902 -5.956 3.363 1.00 20.13 H new ATOM 0 HB2 ALA A 68 -13.523 -4.463 4.108 1.00 20.13 H new ATOM 0 HB3 ALA A 68 -13.259 -4.537 2.350 1.00 20.13 H new ATOM 954 N VAL A 69 -9.365 -5.425 2.900 1.00 40.05 N ATOM 955 CA VAL A 69 -8.393 -6.034 2.000 1.00 32.51 C ATOM 956 C VAL A 69 -8.786 -7.466 1.654 1.00 20.14 C ATOM 957 O VAL A 69 -8.878 -8.325 2.531 1.00 33.34 O ATOM 958 CB VAL A 69 -6.981 -6.035 2.613 1.00 22.42 C ATOM 959 CG1 VAL A 69 -6.437 -4.617 2.706 1.00 65.43 C ATOM 960 CG2 VAL A 69 -6.996 -6.698 3.982 1.00 25.20 C ATOM 0 H VAL A 69 -9.062 -5.370 3.872 1.00 40.05 H new ATOM 0 HA VAL A 69 -8.385 -5.432 1.091 1.00 32.51 H new ATOM 0 HB VAL A 69 -6.322 -6.610 1.962 1.00 22.42 H new ATOM 0 HG11 VAL A 69 -5.438 -4.638 3.142 1.00 65.43 H new ATOM 0 HG12 VAL A 69 -6.389 -4.180 1.709 1.00 65.43 H new ATOM 0 HG13 VAL A 69 -7.094 -4.016 3.334 1.00 65.43 H new ATOM 0 HG21 VAL A 69 -5.990 -6.690 4.401 1.00 25.20 H new ATOM 0 HG22 VAL A 69 -7.669 -6.152 4.643 1.00 25.20 H new ATOM 0 HG23 VAL A 69 -7.340 -7.728 3.884 1.00 25.20 H new ATOM 970 N GLY A 70 -9.017 -7.716 0.369 1.00 64.13 N ATOM 971 CA GLY A 70 -9.398 -9.047 -0.070 1.00 31.34 C ATOM 972 C GLY A 70 -8.198 -9.934 -0.338 1.00 20.53 C ATOM 973 O GLY A 70 -7.072 -9.450 -0.442 1.00 71.22 O ATOM 0 H GLY A 70 -8.947 -7.022 -0.375 1.00 64.13 H new ATOM 0 HA2 GLY A 70 -10.027 -9.511 0.690 1.00 31.34 H new ATOM 0 HA3 GLY A 70 -9.998 -8.969 -0.976 1.00 31.34 H new ATOM 977 N ILE A 71 -8.440 -11.237 -0.450 1.00 33.42 N ATOM 978 CA ILE A 71 -7.370 -12.192 -0.707 1.00 30.34 C ATOM 979 C ILE A 71 -6.584 -11.814 -1.957 1.00 11.00 C ATOM 980 O ILE A 71 -5.385 -12.073 -2.050 1.00 2.14 O ATOM 981 CB ILE A 71 -7.921 -13.620 -0.873 1.00 4.51 C ATOM 982 CG1 ILE A 71 -6.886 -14.647 -0.405 1.00 75.13 C ATOM 983 CG2 ILE A 71 -8.309 -13.874 -2.321 1.00 61.32 C ATOM 984 CD1 ILE A 71 -6.846 -15.895 -1.256 1.00 72.25 C ATOM 0 H ILE A 71 -9.367 -11.654 -0.367 1.00 33.42 H new ATOM 0 HA ILE A 71 -6.707 -12.164 0.158 1.00 30.34 H new ATOM 0 HB ILE A 71 -8.813 -13.723 -0.255 1.00 4.51 H new ATOM 0 HG12 ILE A 71 -5.899 -14.184 -0.408 1.00 75.13 H new ATOM 0 HG13 ILE A 71 -7.104 -14.927 0.626 1.00 75.13 H new ATOM 0 HG21 ILE A 71 -8.697 -14.888 -2.421 1.00 61.32 H new ATOM 0 HG22 ILE A 71 -9.076 -13.161 -2.623 1.00 61.32 H new ATOM 0 HG23 ILE A 71 -7.433 -13.756 -2.959 1.00 61.32 H new ATOM 0 HD11 ILE A 71 -6.091 -16.577 -0.866 1.00 72.25 H new ATOM 0 HD12 ILE A 71 -7.821 -16.382 -1.234 1.00 72.25 H new ATOM 0 HD13 ILE A 71 -6.598 -15.627 -2.283 1.00 72.25 H new ATOM 995 N GLN A 72 -7.268 -11.197 -2.917 1.00 22.24 N ATOM 996 CA GLN A 72 -6.633 -10.782 -4.161 1.00 42.02 C ATOM 997 C GLN A 72 -5.770 -9.542 -3.945 1.00 22.13 C ATOM 998 O GLN A 72 -4.855 -9.268 -4.722 1.00 72.20 O ATOM 999 CB GLN A 72 -7.690 -10.502 -5.230 1.00 64.01 C ATOM 1000 CG GLN A 72 -8.541 -11.715 -5.574 1.00 72.15 C ATOM 1001 CD GLN A 72 -9.803 -11.346 -6.331 1.00 55.43 C ATOM 1002 OE1 GLN A 72 -10.915 -11.594 -5.864 1.00 75.41 O ATOM 1003 NE2 GLN A 72 -9.635 -10.750 -7.506 1.00 31.15 N ATOM 0 H GLN A 72 -8.261 -10.974 -2.856 1.00 22.24 H new ATOM 0 HA GLN A 72 -5.991 -11.595 -4.500 1.00 42.02 H new ATOM 0 HB2 GLN A 72 -8.340 -9.698 -4.885 1.00 64.01 H new ATOM 0 HB3 GLN A 72 -7.196 -10.147 -6.134 1.00 64.01 H new ATOM 0 HG2 GLN A 72 -7.952 -12.409 -6.173 1.00 72.15 H new ATOM 0 HG3 GLN A 72 -8.812 -12.237 -4.656 1.00 72.15 H new ATOM 0 HE21 GLN A 72 -8.694 -10.564 -7.854 1.00 31.15 H new ATOM 0 HE22 GLN A 72 -10.447 -10.478 -8.061 1.00 31.15 H new ATOM 1010 N ASP A 73 -6.070 -8.798 -2.887 1.00 15.03 N ATOM 1011 CA ASP A 73 -5.322 -7.586 -2.569 1.00 41.00 C ATOM 1012 C ASP A 73 -3.958 -7.930 -1.977 1.00 70.20 C ATOM 1013 O ASP A 73 -3.140 -7.046 -1.727 1.00 2.23 O ATOM 1014 CB ASP A 73 -6.111 -6.717 -1.590 1.00 31.52 C ATOM 1015 CG ASP A 73 -6.688 -5.478 -2.250 1.00 54.45 C ATOM 1016 OD1 ASP A 73 -7.375 -5.622 -3.281 1.00 44.42 O ATOM 1017 OD2 ASP A 73 -6.448 -4.365 -1.735 1.00 41.23 O ATOM 0 H ASP A 73 -6.825 -9.012 -2.235 1.00 15.03 H new ATOM 0 HA ASP A 73 -5.168 -7.030 -3.494 1.00 41.00 H new ATOM 0 HB2 ASP A 73 -6.920 -7.305 -1.158 1.00 31.52 H new ATOM 0 HB3 ASP A 73 -5.460 -6.418 -0.768 1.00 31.52 H new ATOM 1021 N GLU A 74 -3.722 -9.220 -1.755 1.00 51.15 N ATOM 1022 CA GLU A 74 -2.458 -9.678 -1.192 1.00 72.03 C ATOM 1023 C GLU A 74 -1.284 -9.256 -2.072 1.00 23.52 C ATOM 1024 O GLU A 74 -1.376 -9.274 -3.299 1.00 22.34 O ATOM 1025 CB GLU A 74 -2.468 -11.200 -1.032 1.00 13.24 C ATOM 1026 CG GLU A 74 -2.578 -11.949 -2.350 1.00 45.10 C ATOM 1027 CD GLU A 74 -1.236 -12.448 -2.851 1.00 5.32 C ATOM 1028 OE1 GLU A 74 -0.454 -12.972 -2.029 1.00 44.05 O ATOM 1029 OE2 GLU A 74 -0.969 -12.314 -4.062 1.00 50.34 O ATOM 0 H GLU A 74 -4.389 -9.965 -1.956 1.00 51.15 H new ATOM 0 HA GLU A 74 -2.338 -9.217 -0.212 1.00 72.03 H new ATOM 0 HB2 GLU A 74 -1.555 -11.510 -0.523 1.00 13.24 H new ATOM 0 HB3 GLU A 74 -3.303 -11.484 -0.391 1.00 13.24 H new ATOM 0 HG2 GLU A 74 -3.254 -12.796 -2.227 1.00 45.10 H new ATOM 0 HG3 GLU A 74 -3.021 -11.294 -3.100 1.00 45.10 H new ATOM 1034 N GLY A 75 -0.182 -8.875 -1.434 1.00 74.31 N ATOM 1035 CA GLY A 75 0.994 -8.453 -2.173 1.00 22.43 C ATOM 1036 C GLY A 75 1.912 -7.574 -1.347 1.00 54.23 C ATOM 1037 O GLY A 75 2.012 -7.737 -0.131 1.00 61.22 O ATOM 0 H GLY A 75 -0.082 -8.851 -0.419 1.00 74.31 H new ATOM 0 HA2 GLY A 75 1.543 -9.332 -2.509 1.00 22.43 H new ATOM 0 HA3 GLY A 75 0.683 -7.911 -3.066 1.00 22.43 H new ATOM 1041 N ILE A 76 2.587 -6.640 -2.010 1.00 33.02 N ATOM 1042 CA ILE A 76 3.501 -5.732 -1.330 1.00 34.22 C ATOM 1043 C ILE A 76 3.233 -4.283 -1.722 1.00 12.31 C ATOM 1044 O ILE A 76 3.052 -3.971 -2.900 1.00 43.22 O ATOM 1045 CB ILE A 76 4.971 -6.072 -1.645 1.00 3.50 C ATOM 1046 CG1 ILE A 76 5.137 -7.582 -1.834 1.00 34.24 C ATOM 1047 CG2 ILE A 76 5.880 -5.569 -0.534 1.00 13.02 C ATOM 1048 CD1 ILE A 76 4.967 -8.032 -3.268 1.00 44.44 C ATOM 0 H ILE A 76 2.518 -6.493 -3.017 1.00 33.02 H new ATOM 0 HA ILE A 76 3.328 -5.855 -0.261 1.00 34.22 H new ATOM 0 HB ILE A 76 5.254 -5.575 -2.573 1.00 3.50 H new ATOM 0 HG12 ILE A 76 6.126 -7.878 -1.483 1.00 34.24 H new ATOM 0 HG13 ILE A 76 4.409 -8.101 -1.210 1.00 34.24 H new ATOM 0 HG21 ILE A 76 6.915 -5.816 -0.771 1.00 13.02 H new ATOM 0 HG22 ILE A 76 5.777 -4.488 -0.441 1.00 13.02 H new ATOM 0 HG23 ILE A 76 5.600 -6.042 0.407 1.00 13.02 H new ATOM 0 HD11 ILE A 76 5.098 -9.112 -3.328 1.00 44.44 H new ATOM 0 HD12 ILE A 76 3.969 -7.767 -3.616 1.00 44.44 H new ATOM 0 HD13 ILE A 76 5.712 -7.541 -3.894 1.00 44.44 H new ATOM 1059 N PHE A 77 3.208 -3.401 -0.728 1.00 52.32 N ATOM 1060 CA PHE A 77 2.962 -1.984 -0.970 1.00 52.53 C ATOM 1061 C PHE A 77 4.255 -1.182 -0.864 1.00 15.24 C ATOM 1062 O PHE A 77 4.967 -1.262 0.138 1.00 15.13 O ATOM 1063 CB PHE A 77 1.932 -1.447 0.026 1.00 52.11 C ATOM 1064 CG PHE A 77 0.627 -2.191 -0.001 1.00 13.12 C ATOM 1065 CD1 PHE A 77 0.531 -3.467 0.530 1.00 50.02 C ATOM 1066 CD2 PHE A 77 -0.502 -1.614 -0.560 1.00 30.14 C ATOM 1067 CE1 PHE A 77 -0.668 -4.154 0.506 1.00 1.13 C ATOM 1068 CE2 PHE A 77 -1.704 -2.297 -0.585 1.00 13.11 C ATOM 1069 CZ PHE A 77 -1.786 -3.569 -0.054 1.00 23.35 C ATOM 0 H PHE A 77 3.355 -3.642 0.252 1.00 52.32 H new ATOM 0 HA PHE A 77 2.570 -1.876 -1.981 1.00 52.53 H new ATOM 0 HB2 PHE A 77 2.350 -1.498 1.032 1.00 52.11 H new ATOM 0 HB3 PHE A 77 1.746 -0.395 -0.188 1.00 52.11 H new ATOM 0 HD1 PHE A 77 1.403 -3.930 0.968 1.00 50.02 H new ATOM 0 HD2 PHE A 77 -0.443 -0.621 -0.980 1.00 30.14 H new ATOM 0 HE1 PHE A 77 -0.730 -5.147 0.925 1.00 1.13 H new ATOM 0 HE2 PHE A 77 -2.578 -1.836 -1.020 1.00 13.11 H new ATOM 0 HZ PHE A 77 -2.723 -4.105 -0.077 1.00 23.35 H new ATOM 1078 N ARG A 78 4.554 -0.409 -1.903 1.00 22.53 N ATOM 1079 CA ARG A 78 5.761 0.406 -1.928 1.00 13.22 C ATOM 1080 C ARG A 78 5.421 1.873 -2.178 1.00 52.11 C ATOM 1081 O ARG A 78 4.595 2.193 -3.033 1.00 21.20 O ATOM 1082 CB ARG A 78 6.720 -0.097 -3.007 1.00 31.21 C ATOM 1083 CG ARG A 78 8.165 -0.188 -2.544 1.00 54.50 C ATOM 1084 CD ARG A 78 9.131 -0.136 -3.716 1.00 75.42 C ATOM 1085 NE ARG A 78 8.926 1.052 -4.543 1.00 2.25 N ATOM 1086 CZ ARG A 78 9.469 2.235 -4.276 1.00 12.32 C ATOM 1087 NH1 ARG A 78 10.246 2.387 -3.214 1.00 44.44 N ATOM 1088 NH2 ARG A 78 9.235 3.268 -5.076 1.00 43.31 N ATOM 0 H ARG A 78 3.975 -0.331 -2.739 1.00 22.53 H new ATOM 0 HA ARG A 78 6.245 0.323 -0.955 1.00 13.22 H new ATOM 0 HB2 ARG A 78 6.392 -1.081 -3.342 1.00 31.21 H new ATOM 0 HB3 ARG A 78 6.665 0.568 -3.869 1.00 31.21 H new ATOM 0 HG2 ARG A 78 8.380 0.631 -1.857 1.00 54.50 H new ATOM 0 HG3 ARG A 78 8.313 -1.115 -1.990 1.00 54.50 H new ATOM 0 HD2 ARG A 78 10.155 -0.145 -3.342 1.00 75.42 H new ATOM 0 HD3 ARG A 78 9.007 -1.029 -4.328 1.00 75.42 H new ATOM 0 HE ARG A 78 8.334 0.968 -5.370 1.00 2.25 H new ATOM 0 HH11 ARG A 78 10.429 1.595 -2.598 1.00 44.44 H new ATOM 0 HH12 ARG A 78 10.661 3.296 -3.012 1.00 44.44 H new ATOM 0 HH21 ARG A 78 8.638 3.154 -5.895 1.00 43.31 H new ATOM 0 HH22 ARG A 78 9.652 4.176 -4.871 1.00 43.31 H new ATOM 1099 N CYS A 79 6.065 2.761 -1.428 1.00 12.25 N ATOM 1100 CA CYS A 79 5.832 4.193 -1.567 1.00 23.21 C ATOM 1101 C CYS A 79 7.120 4.921 -1.939 1.00 12.23 C ATOM 1102 O CYS A 79 8.219 4.435 -1.669 1.00 24.41 O ATOM 1103 CB CYS A 79 5.266 4.767 -0.266 1.00 11.43 C ATOM 1104 SG CYS A 79 6.472 5.716 0.716 1.00 14.10 S ATOM 0 H CYS A 79 6.753 2.513 -0.717 1.00 12.25 H new ATOM 0 HA CYS A 79 5.108 4.342 -2.368 1.00 23.21 H new ATOM 0 HB2 CYS A 79 4.420 5.412 -0.504 1.00 11.43 H new ATOM 0 HB3 CYS A 79 4.882 3.948 0.343 1.00 11.43 H new ATOM 1108 N GLN A 80 6.977 6.088 -2.557 1.00 32.32 N ATOM 1109 CA GLN A 80 8.129 6.883 -2.965 1.00 64.23 C ATOM 1110 C GLN A 80 7.874 8.369 -2.740 1.00 74.22 C ATOM 1111 O GLN A 80 6.875 8.916 -3.209 1.00 53.41 O ATOM 1112 CB GLN A 80 8.454 6.627 -4.438 1.00 14.11 C ATOM 1113 CG GLN A 80 9.836 7.110 -4.849 1.00 13.22 C ATOM 1114 CD GLN A 80 10.941 6.189 -4.372 1.00 52.55 C ATOM 1115 OE1 GLN A 80 10.745 5.383 -3.462 1.00 44.22 O ATOM 1116 NE2 GLN A 80 12.114 6.303 -4.986 1.00 22.35 N ATOM 0 H GLN A 80 6.075 6.504 -2.786 1.00 32.32 H new ATOM 0 HA GLN A 80 8.980 6.583 -2.353 1.00 64.23 H new ATOM 0 HB2 GLN A 80 8.377 5.558 -4.638 1.00 14.11 H new ATOM 0 HB3 GLN A 80 7.706 7.122 -5.058 1.00 14.11 H new ATOM 0 HG2 GLN A 80 9.880 7.192 -5.935 1.00 13.22 H new ATOM 0 HG3 GLN A 80 10.002 8.109 -4.447 1.00 13.22 H new ATOM 0 HE21 GLN A 80 12.233 6.984 -5.736 1.00 22.35 H new ATOM 0 HE22 GLN A 80 12.895 5.709 -4.708 1.00 22.35 H new ATOM 1123 N ALA A 81 8.782 9.018 -2.017 1.00 65.34 N ATOM 1124 CA ALA A 81 8.656 10.441 -1.731 1.00 73.11 C ATOM 1125 C ALA A 81 9.979 11.165 -1.953 1.00 33.32 C ATOM 1126 O ALA A 81 11.038 10.540 -2.003 1.00 10.44 O ATOM 1127 CB ALA A 81 8.169 10.651 -0.305 1.00 61.31 C ATOM 0 H ALA A 81 9.613 8.580 -1.619 1.00 65.34 H new ATOM 0 HA ALA A 81 7.923 10.862 -2.419 1.00 73.11 H new ATOM 0 HB1 ALA A 81 8.079 11.719 -0.105 1.00 61.31 H new ATOM 0 HB2 ALA A 81 7.196 10.175 -0.179 1.00 61.31 H new ATOM 0 HB3 ALA A 81 8.882 10.210 0.392 1.00 61.31 H new ATOM 1133 N MET A 82 9.910 12.485 -2.086 1.00 34.04 N ATOM 1134 CA MET A 82 11.105 13.295 -2.302 1.00 21.12 C ATOM 1135 C MET A 82 11.146 14.471 -1.333 1.00 75.23 C ATOM 1136 O MET A 82 10.201 15.254 -1.251 1.00 54.11 O ATOM 1137 CB MET A 82 11.147 13.803 -3.744 1.00 73.23 C ATOM 1138 CG MET A 82 11.319 12.699 -4.774 1.00 22.15 C ATOM 1139 SD MET A 82 12.663 13.028 -5.929 1.00 34.41 S ATOM 1140 CE MET A 82 14.058 13.116 -4.810 1.00 10.41 C ATOM 0 H MET A 82 9.041 13.017 -2.048 1.00 34.04 H new ATOM 0 HA MET A 82 11.978 12.668 -2.120 1.00 21.12 H new ATOM 0 HB2 MET A 82 10.226 14.346 -3.956 1.00 73.23 H new ATOM 0 HB3 MET A 82 11.967 14.514 -3.846 1.00 73.23 H new ATOM 0 HG2 MET A 82 11.509 11.756 -4.261 1.00 22.15 H new ATOM 0 HG3 MET A 82 10.389 12.578 -5.330 1.00 22.15 H new ATOM 0 HE1 MET A 82 14.367 14.155 -4.695 1.00 10.41 H new ATOM 0 HE2 MET A 82 13.771 12.713 -3.839 1.00 10.41 H new ATOM 0 HE3 MET A 82 14.886 12.533 -5.214 1.00 10.41 H new ATOM 1148 N ASN A 83 12.250 14.591 -0.601 1.00 25.04 N ATOM 1149 CA ASN A 83 12.414 15.673 0.364 1.00 4.10 C ATOM 1150 C ASN A 83 12.971 16.922 -0.310 1.00 53.22 C ATOM 1151 O ASN A 83 13.367 16.886 -1.476 1.00 15.42 O ATOM 1152 CB ASN A 83 13.340 15.235 1.500 1.00 0.11 C ATOM 1153 CG ASN A 83 12.594 14.521 2.612 1.00 15.05 C ATOM 1154 OD1 ASN A 83 12.571 14.983 3.754 1.00 42.43 O ATOM 1155 ND2 ASN A 83 11.981 13.391 2.283 1.00 24.23 N ATOM 0 H ASN A 83 13.044 13.953 -0.658 1.00 25.04 H new ATOM 0 HA ASN A 83 11.434 15.911 0.776 1.00 4.10 H new ATOM 0 HB2 ASN A 83 14.112 14.576 1.102 1.00 0.11 H new ATOM 0 HB3 ASN A 83 13.847 16.109 1.909 1.00 0.11 H new ATOM 0 HD21 ASN A 83 11.464 12.867 2.989 1.00 24.23 H new ATOM 0 HD22 ASN A 83 12.027 13.046 1.324 1.00 24.23 H new ATOM 1161 N ARG A 84 13.001 18.025 0.431 1.00 4.22 N ATOM 1162 CA ARG A 84 13.510 19.285 -0.095 1.00 34.30 C ATOM 1163 C ARG A 84 15.027 19.234 -0.255 1.00 1.03 C ATOM 1164 O ARG A 84 15.613 20.049 -0.966 1.00 70.24 O ATOM 1165 CB ARG A 84 13.122 20.442 0.830 1.00 63.03 C ATOM 1166 CG ARG A 84 13.876 20.443 2.150 1.00 24.21 C ATOM 1167 CD ARG A 84 13.515 21.656 2.994 1.00 3.31 C ATOM 1168 NE ARG A 84 14.157 21.621 4.306 1.00 62.12 N ATOM 1169 CZ ARG A 84 13.960 22.538 5.245 1.00 20.23 C ATOM 1170 NH1 ARG A 84 13.144 23.558 5.020 1.00 35.22 N ATOM 1171 NH2 ARG A 84 14.581 22.437 6.414 1.00 55.31 N ATOM 0 H ARG A 84 12.679 18.071 1.398 1.00 4.22 H new ATOM 0 HA ARG A 84 13.064 19.448 -1.076 1.00 34.30 H new ATOM 0 HB2 ARG A 84 13.305 21.385 0.315 1.00 63.03 H new ATOM 0 HB3 ARG A 84 12.052 20.392 1.032 1.00 63.03 H new ATOM 0 HG2 ARG A 84 13.647 19.532 2.703 1.00 24.21 H new ATOM 0 HG3 ARG A 84 14.949 20.438 1.958 1.00 24.21 H new ATOM 0 HD2 ARG A 84 13.812 22.564 2.469 1.00 3.31 H new ATOM 0 HD3 ARG A 84 12.433 21.700 3.121 1.00 3.31 H new ATOM 0 HE ARG A 84 14.792 20.849 4.512 1.00 62.12 H new ATOM 0 HH11 ARG A 84 12.665 23.640 4.123 1.00 35.22 H new ATOM 0 HH12 ARG A 84 12.995 24.261 5.744 1.00 35.22 H new ATOM 0 HH21 ARG A 84 15.210 21.654 6.591 1.00 55.31 H new ATOM 0 HH22 ARG A 84 14.429 23.142 7.135 1.00 55.31 H new ATOM 1182 N ASN A 85 15.654 18.271 0.411 1.00 50.53 N ATOM 1183 CA ASN A 85 17.103 18.115 0.343 1.00 24.34 C ATOM 1184 C ASN A 85 17.526 17.554 -1.011 1.00 62.02 C ATOM 1185 O ASN A 85 18.648 17.775 -1.464 1.00 12.54 O ATOM 1186 CB ASN A 85 17.590 17.195 1.463 1.00 13.23 C ATOM 1187 CG ASN A 85 17.764 17.929 2.780 1.00 44.24 C ATOM 1188 OD1 ASN A 85 18.801 18.541 3.030 1.00 53.25 O ATOM 1189 ND2 ASN A 85 16.744 17.869 3.629 1.00 13.23 N ATOM 0 H ASN A 85 15.183 17.587 1.003 1.00 50.53 H new ATOM 0 HA ASN A 85 17.556 19.099 0.467 1.00 24.34 H new ATOM 0 HB2 ASN A 85 16.878 16.380 1.596 1.00 13.23 H new ATOM 0 HB3 ASN A 85 18.539 16.745 1.173 1.00 13.23 H new ATOM 0 HD21 ASN A 85 16.802 18.343 4.530 1.00 13.23 H new ATOM 0 HD22 ASN A 85 15.903 17.349 3.379 1.00 13.23 H new ATOM 1195 N GLY A 86 16.619 16.824 -1.654 1.00 23.05 N ATOM 1196 CA GLY A 86 16.918 16.243 -2.950 1.00 23.34 C ATOM 1197 C GLY A 86 16.871 14.728 -2.930 1.00 1.43 C ATOM 1198 O GLY A 86 16.746 14.089 -3.975 1.00 3.52 O ATOM 0 H GLY A 86 15.683 16.625 -1.301 1.00 23.05 H new ATOM 0 HA2 GLY A 86 16.205 16.616 -3.685 1.00 23.34 H new ATOM 0 HA3 GLY A 86 17.907 16.569 -3.271 1.00 23.34 H new ATOM 1202 N LYS A 87 16.975 14.150 -1.737 1.00 31.41 N ATOM 1203 CA LYS A 87 16.944 12.701 -1.584 1.00 42.43 C ATOM 1204 C LYS A 87 15.509 12.190 -1.505 1.00 11.14 C ATOM 1205 O LYS A 87 14.626 12.876 -0.990 1.00 44.14 O ATOM 1206 CB LYS A 87 17.715 12.284 -0.328 1.00 51.43 C ATOM 1207 CG LYS A 87 17.411 13.147 0.885 1.00 60.10 C ATOM 1208 CD LYS A 87 18.509 14.168 1.131 1.00 14.02 C ATOM 1209 CE LYS A 87 19.848 13.496 1.392 1.00 62.31 C ATOM 1210 NZ LYS A 87 19.737 12.411 2.407 1.00 21.53 N ATOM 0 H LYS A 87 17.081 14.664 -0.862 1.00 31.41 H new ATOM 0 HA LYS A 87 17.419 12.259 -2.460 1.00 42.43 H new ATOM 0 HB2 LYS A 87 17.478 11.246 -0.094 1.00 51.43 H new ATOM 0 HB3 LYS A 87 18.784 12.328 -0.536 1.00 51.43 H new ATOM 0 HG2 LYS A 87 16.461 13.661 0.738 1.00 60.10 H new ATOM 0 HG3 LYS A 87 17.298 12.513 1.765 1.00 60.10 H new ATOM 0 HD2 LYS A 87 18.594 14.827 0.267 1.00 14.02 H new ATOM 0 HD3 LYS A 87 18.242 14.792 1.984 1.00 14.02 H new ATOM 0 HE2 LYS A 87 20.235 13.083 0.460 1.00 62.31 H new ATOM 0 HE3 LYS A 87 20.567 14.240 1.734 1.00 62.31 H new ATOM 0 HZ1 LYS A 87 20.687 12.140 2.731 1.00 21.53 H new ATOM 0 HZ2 LYS A 87 19.178 12.749 3.216 1.00 21.53 H new ATOM 0 HZ3 LYS A 87 19.268 11.585 1.983 1.00 21.53 H new ATOM 1220 N GLU A 88 15.286 10.985 -2.017 1.00 42.35 N ATOM 1221 CA GLU A 88 13.958 10.383 -2.004 1.00 13.11 C ATOM 1222 C GLU A 88 13.862 9.300 -0.935 1.00 44.41 C ATOM 1223 O GLU A 88 14.825 8.575 -0.679 1.00 52.05 O ATOM 1224 CB GLU A 88 13.626 9.793 -3.376 1.00 50.51 C ATOM 1225 CG GLU A 88 14.147 8.378 -3.571 1.00 13.04 C ATOM 1226 CD GLU A 88 15.651 8.282 -3.397 1.00 12.42 C ATOM 1227 OE1 GLU A 88 16.365 9.175 -3.896 1.00 34.43 O ATOM 1228 OE2 GLU A 88 16.112 7.312 -2.759 1.00 1.25 O ATOM 0 H GLU A 88 16.008 10.406 -2.446 1.00 42.35 H new ATOM 0 HA GLU A 88 13.236 11.165 -1.770 1.00 13.11 H new ATOM 0 HB2 GLU A 88 12.544 9.795 -3.511 1.00 50.51 H new ATOM 0 HB3 GLU A 88 14.045 10.436 -4.150 1.00 50.51 H new ATOM 0 HG2 GLU A 88 13.659 7.713 -2.858 1.00 13.04 H new ATOM 0 HG3 GLU A 88 13.877 8.029 -4.568 1.00 13.04 H new ATOM 1233 N THR A 89 12.693 9.194 -0.311 1.00 3.13 N ATOM 1234 CA THR A 89 12.469 8.200 0.733 1.00 52.14 C ATOM 1235 C THR A 89 11.654 7.025 0.207 1.00 50.31 C ATOM 1236 O THR A 89 10.573 7.208 -0.354 1.00 43.34 O ATOM 1237 CB THR A 89 11.745 8.812 1.946 1.00 21.00 C ATOM 1238 OG1 THR A 89 11.831 10.240 1.899 1.00 51.14 O ATOM 1239 CG2 THR A 89 12.347 8.306 3.248 1.00 5.40 C ATOM 0 H THR A 89 11.886 9.785 -0.510 1.00 3.13 H new ATOM 0 HA THR A 89 13.451 7.845 1.048 1.00 52.14 H new ATOM 0 HB THR A 89 10.698 8.510 1.906 1.00 21.00 H new ATOM 0 HG1 THR A 89 11.367 10.621 2.673 1.00 51.14 H new ATOM 0 HG21 THR A 89 11.819 8.752 4.091 1.00 5.40 H new ATOM 0 HG22 THR A 89 12.253 7.221 3.295 1.00 5.40 H new ATOM 0 HG23 THR A 89 13.401 8.582 3.293 1.00 5.40 H new ATOM 1247 N LYS A 90 12.176 5.817 0.392 1.00 1.15 N ATOM 1248 CA LYS A 90 11.495 4.610 -0.061 1.00 35.31 C ATOM 1249 C LYS A 90 10.904 3.844 1.118 1.00 44.11 C ATOM 1250 O LYS A 90 11.505 3.777 2.192 1.00 64.25 O ATOM 1251 CB LYS A 90 12.464 3.712 -0.832 1.00 2.33 C ATOM 1252 CG LYS A 90 13.417 4.478 -1.733 1.00 33.42 C ATOM 1253 CD LYS A 90 13.514 3.843 -3.111 1.00 31.15 C ATOM 1254 CE LYS A 90 13.641 2.331 -3.019 1.00 55.31 C ATOM 1255 NZ LYS A 90 14.585 1.791 -4.037 1.00 14.41 N ATOM 0 H LYS A 90 13.070 5.648 0.853 1.00 1.15 H new ATOM 0 HA LYS A 90 10.682 4.908 -0.722 1.00 35.31 H new ATOM 0 HB2 LYS A 90 13.044 3.123 -0.121 1.00 2.33 H new ATOM 0 HB3 LYS A 90 11.891 3.009 -1.437 1.00 2.33 H new ATOM 0 HG2 LYS A 90 13.078 5.509 -1.830 1.00 33.42 H new ATOM 0 HG3 LYS A 90 14.406 4.509 -1.275 1.00 33.42 H new ATOM 0 HD2 LYS A 90 12.630 4.100 -3.695 1.00 31.15 H new ATOM 0 HD3 LYS A 90 14.375 4.250 -3.641 1.00 31.15 H new ATOM 0 HE2 LYS A 90 13.985 2.055 -2.022 1.00 55.31 H new ATOM 0 HE3 LYS A 90 12.660 1.875 -3.155 1.00 55.31 H new ATOM 0 HZ1 LYS A 90 14.644 0.757 -3.942 1.00 14.41 H new ATOM 0 HZ2 LYS A 90 14.244 2.032 -4.989 1.00 14.41 H new ATOM 0 HZ3 LYS A 90 15.527 2.206 -3.892 1.00 14.41 H new ATOM 1265 N SER A 91 9.726 3.265 0.911 1.00 20.35 N ATOM 1266 CA SER A 91 9.053 2.505 1.959 1.00 51.13 C ATOM 1267 C SER A 91 8.261 1.345 1.363 1.00 50.11 C ATOM 1268 O SER A 91 7.345 1.547 0.569 1.00 20.21 O ATOM 1269 CB SER A 91 8.120 3.415 2.760 1.00 10.13 C ATOM 1270 OG SER A 91 8.669 4.714 2.898 1.00 15.45 O ATOM 0 H SER A 91 9.218 3.307 0.028 1.00 20.35 H new ATOM 0 HA SER A 91 9.814 2.100 2.626 1.00 51.13 H new ATOM 0 HB2 SER A 91 7.152 3.477 2.263 1.00 10.13 H new ATOM 0 HB3 SER A 91 7.945 2.984 3.746 1.00 10.13 H new ATOM 0 HG SER A 91 8.199 5.333 2.301 1.00 15.45 H new ATOM 1275 N ASN A 92 8.623 0.127 1.755 1.00 70.02 N ATOM 1276 CA ASN A 92 7.948 -1.067 1.261 1.00 20.53 C ATOM 1277 C ASN A 92 7.450 -1.929 2.418 1.00 64.42 C ATOM 1278 O ASN A 92 8.206 -2.257 3.332 1.00 74.23 O ATOM 1279 CB ASN A 92 8.891 -1.881 0.373 1.00 33.21 C ATOM 1280 CG ASN A 92 8.165 -2.966 -0.399 1.00 11.54 C ATOM 1281 OD1 ASN A 92 6.999 -2.631 -0.935 1.00 74.55 O flip ATOM 1282 ND2 ASN A 92 8.650 -4.093 -0.511 1.00 62.43 N flip ATOM 0 H ASN A 92 9.380 -0.058 2.413 1.00 70.02 H new ATOM 0 HA ASN A 92 7.088 -0.750 0.671 1.00 20.53 H new ATOM 0 HB2 ASN A 92 9.392 -1.213 -0.328 1.00 33.21 H new ATOM 0 HB3 ASN A 92 9.666 -2.335 0.991 1.00 33.21 H new ATOM 0 HD21 ASN A 92 9.550 -4.306 -0.082 1.00 62.43 H new ATOM 0 HD22 ASN A 92 8.151 -4.813 -1.033 1.00 62.43 H new ATOM 1288 N TYR A 93 6.173 -2.292 2.370 1.00 31.55 N ATOM 1289 CA TYR A 93 5.572 -3.113 3.415 1.00 41.35 C ATOM 1290 C TYR A 93 4.850 -4.316 2.814 1.00 62.10 C ATOM 1291 O TYR A 93 3.904 -4.161 2.041 1.00 44.31 O ATOM 1292 CB TYR A 93 4.598 -2.283 4.250 1.00 40.13 C ATOM 1293 CG TYR A 93 5.171 -0.962 4.713 1.00 4.15 C ATOM 1294 CD1 TYR A 93 5.356 0.088 3.823 1.00 50.33 C ATOM 1295 CD2 TYR A 93 5.523 -0.764 6.043 1.00 71.53 C ATOM 1296 CE1 TYR A 93 5.881 1.296 4.241 1.00 23.13 C ATOM 1297 CE2 TYR A 93 6.045 0.440 6.470 1.00 15.50 C ATOM 1298 CZ TYR A 93 6.223 1.467 5.567 1.00 71.24 C ATOM 1299 OH TYR A 93 6.744 2.670 5.988 1.00 24.42 O ATOM 0 H TYR A 93 5.534 -2.031 1.619 1.00 31.55 H new ATOM 0 HA TYR A 93 6.371 -3.477 4.060 1.00 41.35 H new ATOM 0 HB2 TYR A 93 3.699 -2.094 3.663 1.00 40.13 H new ATOM 0 HB3 TYR A 93 4.294 -2.863 5.121 1.00 40.13 H new ATOM 0 HD1 TYR A 93 5.085 -0.042 2.786 1.00 50.33 H new ATOM 0 HD2 TYR A 93 5.386 -1.565 6.754 1.00 71.53 H new ATOM 0 HE1 TYR A 93 6.023 2.101 3.535 1.00 23.13 H new ATOM 0 HE2 TYR A 93 6.313 0.577 7.507 1.00 15.50 H new ATOM 0 HH TYR A 93 6.108 3.389 5.791 1.00 24.42 H new ATOM 1308 N ARG A 94 5.301 -5.512 3.177 1.00 54.41 N ATOM 1309 CA ARG A 94 4.700 -6.742 2.674 1.00 32.35 C ATOM 1310 C ARG A 94 3.474 -7.122 3.500 1.00 30.32 C ATOM 1311 O ARG A 94 3.536 -7.198 4.727 1.00 73.14 O ATOM 1312 CB ARG A 94 5.718 -7.881 2.699 1.00 14.32 C ATOM 1313 CG ARG A 94 6.407 -8.053 4.044 1.00 31.11 C ATOM 1314 CD ARG A 94 7.921 -8.050 3.899 1.00 41.03 C ATOM 1315 NE ARG A 94 8.574 -8.799 4.969 1.00 71.22 N ATOM 1316 CZ ARG A 94 8.487 -10.118 5.103 1.00 24.24 C ATOM 1317 NH1 ARG A 94 7.776 -10.830 4.238 1.00 21.15 N ATOM 1318 NH2 ARG A 94 9.109 -10.727 6.104 1.00 21.14 N ATOM 0 H ARG A 94 6.081 -5.656 3.818 1.00 54.41 H new ATOM 0 HA ARG A 94 4.386 -6.570 1.645 1.00 32.35 H new ATOM 0 HB2 ARG A 94 5.216 -8.812 2.436 1.00 14.32 H new ATOM 0 HB3 ARG A 94 6.473 -7.699 1.934 1.00 14.32 H new ATOM 0 HG2 ARG A 94 6.103 -7.250 4.715 1.00 31.11 H new ATOM 0 HG3 ARG A 94 6.086 -8.989 4.501 1.00 31.11 H new ATOM 0 HD2 ARG A 94 8.194 -8.481 2.936 1.00 41.03 H new ATOM 0 HD3 ARG A 94 8.284 -7.022 3.902 1.00 41.03 H new ATOM 0 HE ARG A 94 9.128 -8.281 5.651 1.00 71.22 H new ATOM 0 HH11 ARG A 94 7.295 -10.365 3.468 1.00 21.15 H new ATOM 0 HH12 ARG A 94 7.711 -11.842 4.343 1.00 21.15 H new ATOM 0 HH21 ARG A 94 9.655 -10.183 6.772 1.00 21.14 H new ATOM 0 HH22 ARG A 94 9.041 -11.740 6.206 1.00 21.14 H new ATOM 1329 N VAL A 95 2.358 -7.360 2.817 1.00 44.25 N ATOM 1330 CA VAL A 95 1.118 -7.734 3.485 1.00 33.15 C ATOM 1331 C VAL A 95 0.640 -9.108 3.030 1.00 14.34 C ATOM 1332 O VAL A 95 0.719 -9.443 1.848 1.00 50.50 O ATOM 1333 CB VAL A 95 0.004 -6.702 3.221 1.00 41.13 C ATOM 1334 CG1 VAL A 95 -1.321 -7.190 3.787 1.00 54.13 C ATOM 1335 CG2 VAL A 95 0.380 -5.351 3.810 1.00 12.21 C ATOM 0 H VAL A 95 2.288 -7.300 1.801 1.00 44.25 H new ATOM 0 HA VAL A 95 1.331 -7.763 4.554 1.00 33.15 H new ATOM 0 HB VAL A 95 -0.111 -6.584 2.144 1.00 41.13 H new ATOM 0 HG11 VAL A 95 -2.096 -6.448 3.591 1.00 54.13 H new ATOM 0 HG12 VAL A 95 -1.594 -8.133 3.314 1.00 54.13 H new ATOM 0 HG13 VAL A 95 -1.225 -7.339 4.863 1.00 54.13 H new ATOM 0 HG21 VAL A 95 -0.418 -4.634 3.614 1.00 12.21 H new ATOM 0 HG22 VAL A 95 0.523 -5.450 4.886 1.00 12.21 H new ATOM 0 HG23 VAL A 95 1.304 -4.999 3.352 1.00 12.21 H new ATOM 1345 N ARG A 96 0.144 -9.899 3.975 1.00 51.42 N ATOM 1346 CA ARG A 96 -0.345 -11.239 3.672 1.00 21.53 C ATOM 1347 C ARG A 96 -1.750 -11.444 4.233 1.00 42.21 C ATOM 1348 O ARG A 96 -1.998 -11.207 5.415 1.00 13.22 O ATOM 1349 CB ARG A 96 0.603 -12.294 4.243 1.00 51.44 C ATOM 1350 CG ARG A 96 1.238 -13.179 3.183 1.00 4.41 C ATOM 1351 CD ARG A 96 0.289 -14.282 2.737 1.00 14.32 C ATOM 1352 NE ARG A 96 1.005 -15.426 2.180 1.00 5.42 N ATOM 1353 CZ ARG A 96 1.657 -16.317 2.920 1.00 74.51 C ATOM 1354 NH1 ARG A 96 1.685 -16.193 4.239 1.00 21.05 N ATOM 1355 NH2 ARG A 96 2.284 -17.333 2.340 1.00 32.43 N ATOM 0 H ARG A 96 0.070 -9.635 4.958 1.00 51.42 H new ATOM 0 HA ARG A 96 -0.385 -11.347 2.588 1.00 21.53 H new ATOM 0 HB2 ARG A 96 1.391 -11.795 4.807 1.00 51.44 H new ATOM 0 HB3 ARG A 96 0.055 -12.920 4.947 1.00 51.44 H new ATOM 0 HG2 ARG A 96 1.522 -12.572 2.323 1.00 4.41 H new ATOM 0 HG3 ARG A 96 2.153 -13.622 3.577 1.00 4.41 H new ATOM 0 HD2 ARG A 96 -0.312 -14.608 3.586 1.00 14.32 H new ATOM 0 HD3 ARG A 96 -0.401 -13.887 1.991 1.00 14.32 H new ATOM 0 HE ARG A 96 1.005 -15.548 1.167 1.00 5.42 H new ATOM 0 HH11 ARG A 96 1.206 -15.413 4.688 1.00 21.05 H new ATOM 0 HH12 ARG A 96 2.186 -16.878 4.805 1.00 21.05 H new ATOM 0 HH21 ARG A 96 2.266 -17.431 1.325 1.00 32.43 H new ATOM 0 HH22 ARG A 96 2.784 -18.016 2.909 1.00 32.43 H new ATOM 1366 N VAL A 97 -2.665 -11.887 3.376 1.00 54.41 N ATOM 1367 CA VAL A 97 -4.043 -12.124 3.786 1.00 25.31 C ATOM 1368 C VAL A 97 -4.214 -13.531 4.350 1.00 11.30 C ATOM 1369 O VAL A 97 -3.249 -14.286 4.467 1.00 15.33 O ATOM 1370 CB VAL A 97 -5.020 -11.933 2.611 1.00 55.34 C ATOM 1371 CG1 VAL A 97 -4.964 -10.502 2.098 1.00 43.30 C ATOM 1372 CG2 VAL A 97 -4.710 -12.920 1.496 1.00 71.51 C ATOM 0 H VAL A 97 -2.476 -12.089 2.394 1.00 54.41 H new ATOM 0 HA VAL A 97 -4.272 -11.393 4.562 1.00 25.31 H new ATOM 0 HB VAL A 97 -6.032 -12.127 2.966 1.00 55.34 H new ATOM 0 HG11 VAL A 97 -5.661 -10.386 1.268 1.00 43.30 H new ATOM 0 HG12 VAL A 97 -5.238 -9.817 2.900 1.00 43.30 H new ATOM 0 HG13 VAL A 97 -3.953 -10.277 1.758 1.00 43.30 H new ATOM 0 HG21 VAL A 97 -5.410 -12.771 0.674 1.00 71.51 H new ATOM 0 HG22 VAL A 97 -3.692 -12.759 1.140 1.00 71.51 H new ATOM 0 HG23 VAL A 97 -4.805 -13.938 1.874 1.00 71.51 H new ATOM 1382 N TYR A 98 -5.448 -13.878 4.697 1.00 42.23 N ATOM 1383 CA TYR A 98 -5.746 -15.193 5.250 1.00 45.02 C ATOM 1384 C TYR A 98 -5.448 -16.292 4.234 1.00 53.22 C ATOM 1385 O TYR A 98 -4.387 -16.916 4.273 1.00 31.45 O ATOM 1386 CB TYR A 98 -7.212 -15.268 5.683 1.00 40.12 C ATOM 1387 CG TYR A 98 -7.653 -16.657 6.087 1.00 43.33 C ATOM 1388 CD1 TYR A 98 -7.116 -17.279 7.208 1.00 3.52 C ATOM 1389 CD2 TYR A 98 -8.606 -17.346 5.349 1.00 24.10 C ATOM 1390 CE1 TYR A 98 -7.515 -18.547 7.581 1.00 45.13 C ATOM 1391 CE2 TYR A 98 -9.013 -18.615 5.715 1.00 12.44 C ATOM 1392 CZ TYR A 98 -8.465 -19.212 6.832 1.00 33.02 C ATOM 1393 OH TYR A 98 -8.867 -20.474 7.199 1.00 43.13 O ATOM 0 H TYR A 98 -6.259 -13.266 4.605 1.00 42.23 H new ATOM 0 HA TYR A 98 -5.108 -15.345 6.121 1.00 45.02 H new ATOM 0 HB2 TYR A 98 -7.370 -14.588 6.520 1.00 40.12 H new ATOM 0 HB3 TYR A 98 -7.842 -14.919 4.865 1.00 40.12 H new ATOM 0 HD1 TYR A 98 -6.374 -16.761 7.798 1.00 3.52 H new ATOM 0 HD2 TYR A 98 -9.037 -16.882 4.474 1.00 24.10 H new ATOM 0 HE1 TYR A 98 -7.086 -19.016 8.454 1.00 45.13 H new ATOM 0 HE2 TYR A 98 -9.756 -19.137 5.130 1.00 12.44 H new ATOM 0 HH TYR A 98 -9.541 -20.799 6.567 1.00 43.13 H new ATOM 1402 N GLN A 99 -6.391 -16.522 3.327 1.00 31.12 N ATOM 1403 CA GLN A 99 -6.229 -17.544 2.300 1.00 41.44 C ATOM 1404 C GLN A 99 -5.078 -17.198 1.362 1.00 31.24 C ATOM 1405 O GLN A 99 -4.829 -16.026 1.076 1.00 43.22 O ATOM 1406 CB GLN A 99 -7.525 -17.704 1.500 1.00 10.44 C ATOM 1407 CG GLN A 99 -7.454 -18.791 0.441 1.00 34.25 C ATOM 1408 CD GLN A 99 -7.112 -20.150 1.020 1.00 34.44 C ATOM 1409 OE1 GLN A 99 -7.757 -20.502 2.126 1.00 43.44 O flip ATOM 1410 NE2 GLN A 99 -6.276 -20.874 0.479 1.00 31.41 N flip ATOM 0 H GLN A 99 -7.275 -16.015 3.282 1.00 31.12 H new ATOM 0 HA GLN A 99 -5.997 -18.487 2.796 1.00 41.44 H new ATOM 0 HB2 GLN A 99 -8.341 -17.930 2.187 1.00 10.44 H new ATOM 0 HB3 GLN A 99 -7.766 -16.755 1.020 1.00 10.44 H new ATOM 0 HG2 GLN A 99 -8.411 -18.852 -0.077 1.00 34.25 H new ATOM 0 HG3 GLN A 99 -6.706 -18.519 -0.304 1.00 34.25 H new ATOM 0 HE21 GLN A 99 -5.805 -20.562 -0.370 1.00 31.41 H new ATOM 0 HE22 GLN A 99 -6.055 -21.785 0.880 1.00 31.41 H new ATOM 1417 N ILE A 100 -4.379 -18.223 0.887 1.00 2.34 N ATOM 1418 CA ILE A 100 -3.254 -18.025 -0.019 1.00 4.43 C ATOM 1419 C ILE A 100 -3.478 -18.755 -1.339 1.00 12.52 C ATOM 1420 O ILE A 100 -4.273 -19.691 -1.433 1.00 25.52 O ATOM 1421 CB ILE A 100 -1.935 -18.514 0.608 1.00 73.41 C ATOM 1422 CG1 ILE A 100 -2.218 -19.452 1.782 1.00 22.32 C ATOM 1423 CG2 ILE A 100 -1.094 -17.329 1.060 1.00 51.44 C ATOM 1424 CD1 ILE A 100 -0.969 -20.031 2.409 1.00 13.21 C ATOM 0 H ILE A 100 -4.571 -19.199 1.114 1.00 2.34 H new ATOM 0 HA ILE A 100 -3.183 -16.954 -0.206 1.00 4.43 H new ATOM 0 HB ILE A 100 -1.375 -19.067 -0.146 1.00 73.41 H new ATOM 0 HG12 ILE A 100 -2.778 -18.909 2.543 1.00 22.32 H new ATOM 0 HG13 ILE A 100 -2.854 -20.268 1.439 1.00 22.32 H new ATOM 0 HG21 ILE A 100 -0.165 -17.690 1.501 1.00 51.44 H new ATOM 0 HG22 ILE A 100 -0.867 -16.696 0.202 1.00 51.44 H new ATOM 0 HG23 ILE A 100 -1.647 -16.752 1.801 1.00 51.44 H new ATOM 0 HD11 ILE A 100 -1.247 -20.686 3.235 1.00 13.21 H new ATOM 0 HD12 ILE A 100 -0.418 -20.602 1.662 1.00 13.21 H new ATOM 0 HD13 ILE A 100 -0.341 -19.222 2.783 1.00 13.21 H new ATOM 1435 N PRO A 101 -2.758 -18.322 -2.384 1.00 33.42 N ATOM 1436 CA PRO A 101 -2.859 -18.921 -3.719 1.00 0.45 C ATOM 1437 C PRO A 101 -2.266 -20.325 -3.769 1.00 71.10 C ATOM 1438 O PRO A 101 -1.178 -20.569 -3.249 1.00 3.31 O ATOM 1439 CB PRO A 101 -2.048 -17.966 -4.599 1.00 32.35 C ATOM 1440 CG PRO A 101 -1.081 -17.320 -3.666 1.00 23.34 C ATOM 1441 CD PRO A 101 -1.791 -17.211 -2.344 1.00 10.32 C ATOM 0 HA PRO A 101 -3.895 -19.038 -4.037 1.00 0.45 H new ATOM 0 HB2 PRO A 101 -1.532 -18.503 -5.395 1.00 32.35 H new ATOM 0 HB3 PRO A 101 -2.690 -17.227 -5.078 1.00 32.35 H new ATOM 0 HG2 PRO A 101 -0.172 -17.914 -3.573 1.00 23.34 H new ATOM 0 HG3 PRO A 101 -0.783 -16.337 -4.031 1.00 23.34 H new ATOM 0 HD2 PRO A 101 -1.100 -17.310 -1.507 1.00 10.32 H new ATOM 0 HD3 PRO A 101 -2.290 -16.248 -2.234 1.00 10.32 H new