USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 712 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 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 38 TYR OH : rot 30:sc= 0 USER MOD Single : A 5 THR OG1 : rot 28:sc= 0.233 USER MOD Single : A 7 GLN :FLIP amide:sc= -0.544 F(o=-1.1,f=-0.54) USER MOD Single : A 14 THR OG1 : rot 93:sc= 1.21 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 79:sc= -0.448 USER MOD Single : A 21 LYS NZ :NH3+ 158:sc= -0.0201 (180deg=-0.227) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.246 K(o=-0.25,f=-2.4!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.777 USER MOD Single : A 33 GLN :FLIP amide:sc= -0.183 F(o=-1.4,f=-0.18) USER MOD Single : A 34 HIS : no HE2:sc= -0.132 X(o=-0.13,f=-0.32) USER MOD Single : A 41 HIS : no HE2:sc= -2.5 K(o=-2.5,f=-3.3!) USER MOD Single : A 44 LYS NZ :NH3+ 138:sc= -0.942 (180deg=-2.73!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -156:sc= 0.0887 (180deg=0.0247) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 CYS SG : rot 65:sc= 0.471 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 137:sc= 1.16 (180deg=-1.83!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : B 117 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : B 119 SER OG : rot 180:sc= 0 USER MOD Single : B 127 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 5 -10.260 -8.129 7.979 1.00 11.30 N ATOM 2 CA THR A 5 -9.196 -7.220 7.569 1.00 55.30 C ATOM 3 C THR A 5 -8.389 -7.812 6.418 1.00 73.10 C ATOM 4 O THR A 5 -7.878 -7.084 5.566 1.00 34.50 O ATOM 5 CB THR A 5 -8.273 -6.915 8.750 1.00 21.40 C ATOM 6 OG1 THR A 5 -9.026 -6.552 9.894 1.00 11.00 O ATOM 7 CG2 THR A 5 -7.295 -5.794 8.471 1.00 43.30 C ATOM 0 HA THR A 5 -9.656 -6.293 7.228 1.00 55.30 H new ATOM 0 HB THR A 5 -7.711 -7.833 8.921 1.00 21.40 H new ATOM 0 HG1 THR A 5 -9.909 -6.976 9.853 1.00 11.00 H new ATOM 0 HG21 THR A 5 -6.671 -5.629 9.349 1.00 43.30 H new ATOM 0 HG22 THR A 5 -6.665 -6.063 7.623 1.00 43.30 H new ATOM 0 HG23 THR A 5 -7.844 -4.881 8.239 1.00 43.30 H new ATOM 15 N LEU A 6 -8.278 -9.136 6.399 1.00 24.50 N ATOM 16 CA LEU A 6 -7.533 -9.826 5.352 1.00 33.00 C ATOM 17 C LEU A 6 -8.304 -9.812 4.036 1.00 14.10 C ATOM 18 O LEU A 6 -7.752 -9.487 2.985 1.00 74.10 O ATOM 19 CB LEU A 6 -7.241 -11.260 5.771 1.00 24.50 C ATOM 20 CG LEU A 6 -5.977 -11.450 6.612 1.00 1.12 C ATOM 21 CD1 LEU A 6 -4.736 -11.160 5.781 1.00 22.40 C ATOM 22 CD2 LEU A 6 -6.018 -10.550 7.839 1.00 62.50 C ATOM 0 H LEU A 6 -8.694 -9.753 7.097 1.00 24.50 H new ATOM 0 HA LEU A 6 -6.590 -9.300 5.203 1.00 33.00 H new ATOM 0 HB2 LEU A 6 -8.094 -11.637 6.336 1.00 24.50 H new ATOM 0 HB3 LEU A 6 -7.157 -11.873 4.874 1.00 24.50 H new ATOM 0 HG LEU A 6 -5.934 -12.487 6.944 1.00 1.12 H new ATOM 0 HD11 LEU A 6 -3.846 -11.300 6.395 1.00 22.40 H new ATOM 0 HD12 LEU A 6 -4.701 -11.840 4.930 1.00 22.40 H new ATOM 0 HD13 LEU A 6 -4.771 -10.131 5.422 1.00 22.40 H new ATOM 0 HD21 LEU A 6 -5.112 -10.696 8.428 1.00 62.50 H new ATOM 0 HD22 LEU A 6 -6.082 -9.508 7.524 1.00 62.50 H new ATOM 0 HD23 LEU A 6 -6.889 -10.800 8.445 1.00 62.50 H new ATOM 34 N GLN A 7 -9.583 -10.160 4.102 1.00 75.40 N ATOM 35 CA GLN A 7 -10.430 -10.190 2.916 1.00 2.20 C ATOM 36 C GLN A 7 -10.510 -8.815 2.276 1.00 43.20 C ATOM 37 O GLN A 7 -10.500 -8.685 1.052 1.00 11.50 O ATOM 38 CB GLN A 7 -11.830 -10.690 3.276 1.00 74.10 C ATOM 39 CG GLN A 7 -12.570 -11.310 2.106 1.00 43.10 C ATOM 40 CD GLN A 7 -11.790 -12.430 1.444 1.00 73.10 C ATOM 41 OE1 GLN A 7 -10.990 -12.080 0.441 1.00 44.00 O flip ATOM 42 NE2 GLN A 7 -11.890 -13.590 1.831 1.00 25.10 N flip ATOM 0 H GLN A 7 -10.057 -10.426 4.965 1.00 75.40 H new ATOM 0 HA GLN A 7 -9.986 -10.877 2.196 1.00 2.20 H new ATOM 0 HB2 GLN A 7 -11.750 -11.426 4.076 1.00 74.10 H new ATOM 0 HB3 GLN A 7 -12.415 -9.857 3.666 1.00 74.10 H new ATOM 0 HG2 GLN A 7 -13.529 -11.696 2.452 1.00 43.10 H new ATOM 0 HG3 GLN A 7 -12.785 -10.538 1.368 1.00 43.10 H new ATOM 0 HE21 GLN A 7 -12.515 -13.818 2.604 1.00 25.10 H new ATOM 0 HE22 GLN A 7 -11.348 -14.327 1.380 1.00 25.10 H new ATOM 51 N LYS A 8 -10.600 -7.786 3.112 1.00 53.20 N ATOM 52 CA LYS A 8 -10.690 -6.413 2.628 1.00 23.20 C ATOM 53 C LYS A 8 -9.354 -5.948 2.062 1.00 60.20 C ATOM 54 O LYS A 8 -9.307 -5.229 1.064 1.00 52.30 O ATOM 55 CB LYS A 8 -11.130 -5.480 3.757 1.00 63.20 C ATOM 56 CG LYS A 8 -12.640 -5.394 3.920 1.00 43.50 C ATOM 57 CD LYS A 8 -13.060 -4.057 4.507 1.00 63.00 C ATOM 58 CE LYS A 8 -13.310 -4.159 6.003 1.00 1.35 C ATOM 59 NZ LYS A 8 -13.750 -2.860 6.582 1.00 31.10 N ATOM 0 H LYS A 8 -10.613 -7.877 4.128 1.00 53.20 H new ATOM 0 HA LYS A 8 -11.433 -6.383 1.831 1.00 23.20 H new ATOM 0 HB2 LYS A 8 -10.691 -5.824 4.693 1.00 63.20 H new ATOM 0 HB3 LYS A 8 -10.736 -4.482 3.567 1.00 63.20 H new ATOM 0 HG2 LYS A 8 -13.120 -5.535 2.952 1.00 43.50 H new ATOM 0 HG3 LYS A 8 -12.984 -6.201 4.567 1.00 43.50 H new ATOM 0 HD2 LYS A 8 -12.284 -3.315 4.316 1.00 63.00 H new ATOM 0 HD3 LYS A 8 -13.964 -3.708 4.009 1.00 63.00 H new ATOM 0 HE2 LYS A 8 -14.070 -4.917 6.193 1.00 1.35 H new ATOM 0 HE3 LYS A 8 -12.399 -4.489 6.502 1.00 1.35 H new ATOM 0 HZ1 LYS A 8 -13.910 -2.972 7.604 1.00 31.10 H new ATOM 0 HZ2 LYS A 8 -13.014 -2.142 6.423 1.00 31.10 H new ATOM 0 HZ3 LYS A 8 -14.634 -2.557 6.124 1.00 31.10 H new ATOM 73 N ALA A 9 -8.268 -6.362 2.706 1.00 4.45 N ATOM 74 CA ALA A 9 -6.929 -5.988 2.267 1.00 61.30 C ATOM 75 C ALA A 9 -6.633 -6.541 0.877 1.00 73.20 C ATOM 76 O ALA A 9 -6.142 -5.825 0.005 1.00 21.50 O ATOM 77 CB ALA A 9 -5.891 -6.479 3.265 1.00 62.10 C ATOM 0 H ALA A 9 -8.289 -6.957 3.534 1.00 4.45 H new ATOM 0 HA ALA A 9 -6.880 -4.900 2.214 1.00 61.30 H new ATOM 0 HB1 ALA A 9 -4.896 -6.193 2.925 1.00 62.10 H new ATOM 0 HB2 ALA A 9 -6.084 -6.032 4.240 1.00 62.10 H new ATOM 0 HB3 ALA A 9 -5.949 -7.564 3.346 1.00 62.10 H new ATOM 83 N ILE A 10 -6.936 -7.820 0.678 1.00 31.20 N ATOM 84 CA ILE A 10 -6.702 -8.468 -0.607 1.00 33.30 C ATOM 85 C ILE A 10 -7.550 -7.833 -1.704 1.00 4.31 C ATOM 86 O ILE A 10 -7.044 -7.486 -2.771 1.00 11.10 O ATOM 87 CB ILE A 10 -7.013 -9.977 -0.542 1.00 25.10 C ATOM 88 CG1 ILE A 10 -6.297 -10.610 0.649 1.00 32.30 C ATOM 89 CG2 ILE A 10 -6.608 -10.650 -1.840 1.00 53.50 C ATOM 90 CD1 ILE A 10 -7.143 -11.630 1.386 1.00 4.13 C ATOM 0 H ILE A 10 -7.343 -8.427 1.389 1.00 31.20 H new ATOM 0 HA ILE A 10 -5.646 -8.333 -0.842 1.00 33.30 H new ATOM 0 HB ILE A 10 -8.086 -10.115 -0.407 1.00 25.10 H new ATOM 0 HG12 ILE A 10 -5.383 -11.091 0.301 1.00 32.30 H new ATOM 0 HG13 ILE A 10 -6.000 -9.825 1.344 1.00 32.30 H new ATOM 0 HG21 ILE A 10 -6.832 -11.715 -1.783 1.00 53.50 H new ATOM 0 HG22 ILE A 10 -7.161 -10.207 -2.668 1.00 53.50 H new ATOM 0 HG23 ILE A 10 -5.539 -10.512 -2.003 1.00 53.50 H new ATOM 0 HD11 ILE A 10 -6.574 -12.040 2.220 1.00 4.13 H new ATOM 0 HD12 ILE A 10 -8.045 -11.149 1.764 1.00 4.13 H new ATOM 0 HD13 ILE A 10 -7.419 -12.435 0.704 1.00 4.13 H new ATOM 102 N ASP A 11 -8.842 -7.683 -1.433 1.00 70.40 N ATOM 103 CA ASP A 11 -9.761 -7.089 -2.398 1.00 12.10 C ATOM 104 C ASP A 11 -9.331 -5.670 -2.758 1.00 54.20 C ATOM 105 O ASP A 11 -9.555 -5.208 -3.876 1.00 1.11 O ATOM 106 CB ASP A 11 -11.180 -7.075 -1.836 1.00 21.20 C ATOM 107 CG ASP A 11 -11.910 -8.381 -2.079 1.00 52.10 C ATOM 108 OD1 ASP A 11 -11.320 -9.449 -1.820 1.00 43.10 O ATOM 109 OD2 ASP A 11 -13.070 -8.335 -2.529 1.00 24.00 O ATOM 0 H ASP A 11 -9.277 -7.964 -0.554 1.00 70.40 H new ATOM 0 HA ASP A 11 -9.740 -7.696 -3.303 1.00 12.10 H new ATOM 0 HB2 ASP A 11 -11.142 -6.877 -0.765 1.00 21.20 H new ATOM 0 HB3 ASP A 11 -11.740 -6.258 -2.291 1.00 21.20 H new ATOM 114 N LEU A 12 -8.711 -4.985 -1.802 1.00 62.40 N ATOM 115 CA LEU A 12 -8.248 -3.619 -2.019 1.00 15.30 C ATOM 116 C LEU A 12 -7.051 -3.594 -2.964 1.00 34.10 C ATOM 117 O LEU A 12 -7.039 -2.852 -3.946 1.00 21.40 O ATOM 118 CB LEU A 12 -7.874 -2.968 -0.686 1.00 22.20 C ATOM 119 CG LEU A 12 -9.057 -2.458 0.140 1.00 32.40 C ATOM 120 CD1 LEU A 12 -8.636 -2.215 1.581 1.00 10.20 C ATOM 121 CD2 LEU A 12 -9.625 -1.187 -0.474 1.00 50.10 C ATOM 0 H LEU A 12 -8.518 -5.353 -0.871 1.00 62.40 H new ATOM 0 HA LEU A 12 -9.061 -3.054 -2.476 1.00 15.30 H new ATOM 0 HB2 LEU A 12 -7.319 -3.691 -0.089 1.00 22.20 H new ATOM 0 HB3 LEU A 12 -7.201 -2.133 -0.883 1.00 22.20 H new ATOM 0 HG LEU A 12 -9.836 -3.220 0.135 1.00 32.40 H new ATOM 0 HD11 LEU A 12 -9.490 -1.853 2.153 1.00 10.20 H new ATOM 0 HD12 LEU A 12 -8.276 -3.147 2.017 1.00 10.20 H new ATOM 0 HD13 LEU A 12 -7.840 -1.471 1.607 1.00 10.20 H new ATOM 0 HD21 LEU A 12 -10.466 -0.837 0.125 1.00 50.10 H new ATOM 0 HD22 LEU A 12 -8.853 -0.418 -0.499 1.00 50.10 H new ATOM 0 HD23 LEU A 12 -9.964 -1.393 -1.489 1.00 50.10 H new ATOM 133 N VAL A 13 -6.047 -4.410 -2.660 1.00 3.05 N ATOM 134 CA VAL A 13 -4.846 -4.482 -3.482 1.00 31.40 C ATOM 135 C VAL A 13 -5.155 -5.065 -4.858 1.00 24.40 C ATOM 136 O VAL A 13 -4.558 -4.669 -5.859 1.00 71.10 O ATOM 137 CB VAL A 13 -3.754 -5.333 -2.803 1.00 74.30 C ATOM 138 CG1 VAL A 13 -4.230 -6.765 -2.611 1.00 62.30 C ATOM 139 CG2 VAL A 13 -2.466 -5.294 -3.611 1.00 73.50 C ATOM 0 H VAL A 13 -6.042 -5.030 -1.850 1.00 3.05 H new ATOM 0 HA VAL A 13 -4.479 -3.463 -3.600 1.00 31.40 H new ATOM 0 HB VAL A 13 -3.551 -4.910 -1.819 1.00 74.30 H new ATOM 0 HG11 VAL A 13 -3.444 -7.348 -2.130 1.00 62.30 H new ATOM 0 HG12 VAL A 13 -5.122 -6.771 -1.984 1.00 62.30 H new ATOM 0 HG13 VAL A 13 -4.465 -7.203 -3.581 1.00 62.30 H new ATOM 0 HG21 VAL A 13 -1.707 -5.900 -3.116 1.00 73.50 H new ATOM 0 HG22 VAL A 13 -2.651 -5.689 -4.610 1.00 73.50 H new ATOM 0 HG23 VAL A 13 -2.115 -4.265 -3.687 1.00 73.50 H new ATOM 149 N THR A 14 -6.092 -6.007 -4.899 1.00 31.50 N ATOM 150 CA THR A 14 -6.480 -6.644 -6.152 1.00 11.20 C ATOM 151 C THR A 14 -6.996 -5.612 -7.150 1.00 25.00 C ATOM 152 O THR A 14 -6.492 -5.510 -8.269 1.00 32.10 O ATOM 153 CB THR A 14 -7.552 -7.705 -5.898 1.00 70.30 C ATOM 154 OG1 THR A 14 -7.096 -8.666 -4.963 1.00 13.10 O ATOM 155 CG2 THR A 14 -7.970 -8.446 -7.150 1.00 3.42 C ATOM 0 H THR A 14 -6.596 -6.346 -4.080 1.00 31.50 H new ATOM 0 HA THR A 14 -5.597 -7.123 -6.576 1.00 11.20 H new ATOM 0 HB THR A 14 -8.413 -7.158 -5.514 1.00 70.30 H new ATOM 0 HG1 THR A 14 -7.374 -8.402 -4.061 1.00 13.10 H new ATOM 0 HG21 THR A 14 -8.732 -9.183 -6.899 1.00 3.42 H new ATOM 0 HG22 THR A 14 -8.374 -7.738 -7.874 1.00 3.42 H new ATOM 0 HG23 THR A 14 -7.105 -8.951 -7.580 1.00 3.42 H new ATOM 163 N LYS A 15 -8.002 -4.848 -6.737 1.00 60.50 N ATOM 164 CA LYS A 15 -8.584 -3.823 -7.595 1.00 52.40 C ATOM 165 C LYS A 15 -7.541 -2.780 -7.980 1.00 72.50 C ATOM 166 O LYS A 15 -7.598 -2.202 -9.065 1.00 44.40 O ATOM 167 CB LYS A 15 -9.762 -3.147 -6.889 1.00 3.13 C ATOM 168 CG LYS A 15 -11.080 -3.871 -7.083 1.00 44.50 C ATOM 169 CD LYS A 15 -12.240 -2.896 -7.139 1.00 1.43 C ATOM 170 CE LYS A 15 -13.390 -3.441 -7.981 1.00 24.10 C ATOM 171 NZ LYS A 15 -14.130 -4.527 -7.279 1.00 22.20 N ATOM 0 H LYS A 15 -8.431 -4.919 -5.814 1.00 60.50 H new ATOM 0 HA LYS A 15 -8.942 -4.305 -8.505 1.00 52.40 H new ATOM 0 HB2 LYS A 15 -9.547 -3.081 -5.823 1.00 3.13 H new ATOM 0 HB3 LYS A 15 -9.860 -2.126 -7.259 1.00 3.13 H new ATOM 0 HG2 LYS A 15 -11.046 -4.453 -8.004 1.00 44.50 H new ATOM 0 HG3 LYS A 15 -11.234 -4.576 -6.266 1.00 44.50 H new ATOM 0 HD2 LYS A 15 -12.593 -2.691 -6.128 1.00 1.43 H new ATOM 0 HD3 LYS A 15 -11.900 -1.948 -7.556 1.00 1.43 H new ATOM 0 HE2 LYS A 15 -14.078 -2.631 -8.223 1.00 24.10 H new ATOM 0 HE3 LYS A 15 -13.000 -3.820 -8.926 1.00 24.10 H new ATOM 0 HZ1 LYS A 15 -14.903 -4.869 -7.886 1.00 22.20 H new ATOM 0 HZ2 LYS A 15 -13.480 -5.312 -7.071 1.00 22.20 H new ATOM 0 HZ3 LYS A 15 -14.525 -4.159 -6.390 1.00 22.20 H new ATOM 185 N ALA A 16 -6.587 -2.545 -7.084 1.00 72.00 N ATOM 186 CA ALA A 16 -5.530 -1.573 -7.331 1.00 50.50 C ATOM 187 C ALA A 16 -4.614 -2.033 -8.459 1.00 32.40 C ATOM 188 O ALA A 16 -4.209 -1.237 -9.307 1.00 62.30 O ATOM 189 CB ALA A 16 -4.727 -1.334 -6.061 1.00 13.40 C ATOM 0 H ALA A 16 -6.525 -3.015 -6.181 1.00 72.00 H new ATOM 0 HA ALA A 16 -5.996 -0.636 -7.636 1.00 50.50 H new ATOM 0 HB1 ALA A 16 -3.941 -0.606 -6.259 1.00 13.40 H new ATOM 0 HB2 ALA A 16 -5.386 -0.953 -5.280 1.00 13.40 H new ATOM 0 HB3 ALA A 16 -4.279 -2.272 -5.732 1.00 13.40 H new ATOM 195 N THR A 17 -4.291 -3.322 -8.464 1.00 5.45 N ATOM 196 CA THR A 17 -3.422 -3.889 -9.490 1.00 42.50 C ATOM 197 C THR A 17 -4.030 -3.707 -10.870 1.00 62.00 C ATOM 198 O THR A 17 -3.333 -3.354 -11.820 1.00 53.20 O ATOM 199 CB THR A 17 -3.178 -5.374 -9.217 1.00 14.30 C ATOM 200 OG1 THR A 17 -3.394 -5.675 -7.850 1.00 25.40 O ATOM 201 CG2 THR A 17 -1.778 -5.825 -9.571 1.00 43.30 C ATOM 0 H THR A 17 -4.618 -3.994 -7.770 1.00 5.45 H new ATOM 0 HA THR A 17 -2.469 -3.362 -9.459 1.00 42.50 H new ATOM 0 HB THR A 17 -3.885 -5.905 -9.854 1.00 14.30 H new ATOM 0 HG1 THR A 17 -4.356 -5.755 -7.681 1.00 25.40 H new ATOM 0 HG21 THR A 17 -1.672 -6.888 -9.353 1.00 43.30 H new ATOM 0 HG22 THR A 17 -1.598 -5.652 -10.632 1.00 43.30 H new ATOM 0 HG23 THR A 17 -1.054 -5.260 -8.983 1.00 43.30 H new ATOM 209 N GLU A 18 -5.332 -3.951 -10.980 1.00 63.40 N ATOM 210 CA GLU A 18 -6.033 -3.814 -12.250 1.00 14.00 C ATOM 211 C GLU A 18 -5.974 -2.374 -12.750 1.00 41.10 C ATOM 212 O GLU A 18 -5.814 -2.126 -13.940 1.00 72.40 O ATOM 213 CB GLU A 18 -7.492 -4.254 -12.100 1.00 14.10 C ATOM 214 CG GLU A 18 -7.668 -5.517 -11.280 1.00 20.40 C ATOM 215 CD GLU A 18 -9.031 -6.153 -11.470 1.00 22.50 C ATOM 216 OE1 GLU A 18 -9.548 -6.121 -12.600 1.00 1.12 O ATOM 217 OE2 GLU A 18 -9.581 -6.683 -10.480 1.00 31.20 O ATOM 0 H GLU A 18 -5.923 -4.245 -10.203 1.00 63.40 H new ATOM 0 HA GLU A 18 -5.540 -4.455 -12.981 1.00 14.00 H new ATOM 0 HB2 GLU A 18 -8.059 -3.448 -11.635 1.00 14.10 H new ATOM 0 HB3 GLU A 18 -7.918 -4.413 -13.091 1.00 14.10 H new ATOM 0 HG2 GLU A 18 -6.895 -6.235 -11.555 1.00 20.40 H new ATOM 0 HG3 GLU A 18 -7.525 -5.283 -10.225 1.00 20.40 H new ATOM 224 N GLU A 19 -6.105 -1.428 -11.830 1.00 15.40 N ATOM 225 CA GLU A 19 -6.066 -0.011 -12.170 1.00 32.40 C ATOM 226 C GLU A 19 -4.745 0.350 -12.840 1.00 54.10 C ATOM 227 O GLU A 19 -4.728 0.952 -13.910 1.00 44.30 O ATOM 228 CB GLU A 19 -6.266 0.845 -10.920 1.00 61.20 C ATOM 229 CG GLU A 19 -7.724 1.151 -10.620 1.00 63.40 C ATOM 230 CD GLU A 19 -8.577 -0.099 -10.530 1.00 21.40 C ATOM 231 OE1 GLU A 19 -8.627 -0.854 -11.520 1.00 33.40 O ATOM 232 OE2 GLU A 19 -9.196 -0.323 -9.473 1.00 74.30 O ATOM 0 H GLU A 19 -6.240 -1.617 -10.837 1.00 15.40 H new ATOM 0 HA GLU A 19 -6.877 0.189 -12.870 1.00 32.40 H new ATOM 0 HB2 GLU A 19 -5.827 0.332 -10.064 1.00 61.20 H new ATOM 0 HB3 GLU A 19 -5.724 1.783 -11.041 1.00 61.20 H new ATOM 0 HG2 GLU A 19 -7.790 1.700 -9.680 1.00 63.40 H new ATOM 0 HG3 GLU A 19 -8.122 1.802 -11.398 1.00 63.40 H new ATOM 239 N ASP A 20 -3.640 -0.022 -12.200 1.00 33.10 N ATOM 240 CA ASP A 20 -2.314 0.263 -12.740 1.00 4.34 C ATOM 241 C ASP A 20 -2.147 -0.340 -14.130 1.00 22.10 C ATOM 242 O ASP A 20 -1.410 0.189 -14.960 1.00 50.00 O ATOM 243 CB ASP A 20 -1.235 -0.282 -11.800 1.00 24.20 C ATOM 244 CG ASP A 20 0.165 0.078 -12.260 1.00 54.30 C ATOM 245 OD1 ASP A 20 0.339 1.176 -12.830 1.00 53.40 O ATOM 246 OD2 ASP A 20 1.087 -0.739 -12.050 1.00 33.40 O ATOM 0 H ASP A 20 -3.636 -0.520 -11.310 1.00 33.10 H new ATOM 0 HA ASP A 20 -2.206 1.345 -12.822 1.00 4.34 H new ATOM 0 HB2 ASP A 20 -1.398 0.112 -10.797 1.00 24.20 H new ATOM 0 HB3 ASP A 20 -1.326 -1.366 -11.736 1.00 24.20 H new ATOM 251 N LYS A 21 -2.837 -1.449 -14.380 1.00 2.24 N ATOM 252 CA LYS A 21 -2.767 -2.124 -15.670 1.00 14.20 C ATOM 253 C LYS A 21 -3.637 -1.417 -16.700 1.00 1.04 C ATOM 254 O LYS A 21 -3.376 -1.497 -17.900 1.00 50.40 O ATOM 255 CB LYS A 21 -3.205 -3.583 -15.530 1.00 22.20 C ATOM 256 CG LYS A 21 -2.111 -4.499 -15.000 1.00 3.14 C ATOM 257 CD LYS A 21 -2.676 -5.831 -14.540 1.00 63.40 C ATOM 258 CE LYS A 21 -2.517 -6.905 -15.600 1.00 51.10 C ATOM 259 NZ LYS A 21 -1.092 -7.288 -15.800 1.00 41.50 N ATOM 0 H LYS A 21 -3.453 -1.900 -13.703 1.00 2.24 H new ATOM 0 HA LYS A 21 -1.733 -2.094 -16.013 1.00 14.20 H new ATOM 0 HB2 LYS A 21 -4.065 -3.633 -14.862 1.00 22.20 H new ATOM 0 HB3 LYS A 21 -3.535 -3.950 -16.502 1.00 22.20 H new ATOM 0 HG2 LYS A 21 -1.367 -4.667 -15.779 1.00 3.14 H new ATOM 0 HG3 LYS A 21 -1.599 -4.013 -14.169 1.00 3.14 H new ATOM 0 HD2 LYS A 21 -2.171 -6.144 -13.626 1.00 63.40 H new ATOM 0 HD3 LYS A 21 -3.732 -5.714 -14.297 1.00 63.40 H new ATOM 0 HE2 LYS A 21 -3.092 -7.785 -15.312 1.00 51.10 H new ATOM 0 HE3 LYS A 21 -2.932 -6.548 -16.543 1.00 51.10 H new ATOM 0 HZ1 LYS A 21 -1.044 -8.236 -16.225 1.00 41.50 H new ATOM 0 HZ2 LYS A 21 -0.634 -6.602 -16.433 1.00 41.50 H new ATOM 0 HZ3 LYS A 21 -0.602 -7.294 -14.883 1.00 41.50 H new ATOM 273 N ALA A 22 -4.671 -0.727 -16.230 1.00 10.00 N ATOM 274 CA ALA A 22 -5.578 -0.009 -17.120 1.00 70.10 C ATOM 275 C ALA A 22 -5.202 1.467 -17.220 1.00 33.20 C ATOM 276 O ALA A 22 -6.061 2.322 -17.430 1.00 21.10 O ATOM 277 CB ALA A 22 -7.013 -0.158 -16.640 1.00 74.30 C ATOM 0 H ALA A 22 -4.902 -0.649 -15.240 1.00 10.00 H new ATOM 0 HA ALA A 22 -5.490 -0.445 -18.115 1.00 70.10 H new ATOM 0 HB1 ALA A 22 -7.680 0.382 -17.312 1.00 74.30 H new ATOM 0 HB2 ALA A 22 -7.285 -1.213 -16.630 1.00 74.30 H new ATOM 0 HB3 ALA A 22 -7.104 0.250 -15.633 1.00 74.30 H new ATOM 283 N LYS A 23 -3.915 1.758 -17.060 1.00 73.30 N ATOM 284 CA LYS A 23 -3.427 3.131 -17.130 1.00 41.50 C ATOM 285 C LYS A 23 -4.104 4.008 -16.080 1.00 42.00 C ATOM 286 O LYS A 23 -4.391 5.179 -16.330 1.00 53.50 O ATOM 287 CB LYS A 23 -3.670 3.707 -18.530 1.00 63.10 C ATOM 288 CG LYS A 23 -3.205 2.795 -19.650 1.00 15.30 C ATOM 289 CD LYS A 23 -4.067 2.958 -20.890 1.00 22.10 C ATOM 290 CE LYS A 23 -4.283 1.629 -21.600 1.00 1.42 C ATOM 291 NZ LYS A 23 -5.634 1.542 -22.220 1.00 71.50 N ATOM 0 H LYS A 23 -3.191 1.062 -16.881 1.00 73.30 H new ATOM 0 HA LYS A 23 -2.356 3.121 -16.927 1.00 41.50 H new ATOM 0 HB2 LYS A 23 -4.735 3.906 -18.653 1.00 63.10 H new ATOM 0 HB3 LYS A 23 -3.155 4.664 -18.615 1.00 63.10 H new ATOM 0 HG2 LYS A 23 -2.166 3.017 -19.895 1.00 15.30 H new ATOM 0 HG3 LYS A 23 -3.239 1.758 -19.315 1.00 15.30 H new ATOM 0 HD2 LYS A 23 -5.031 3.383 -20.611 1.00 22.10 H new ATOM 0 HD3 LYS A 23 -3.594 3.663 -21.573 1.00 22.10 H new ATOM 0 HE2 LYS A 23 -3.522 1.501 -22.370 1.00 1.42 H new ATOM 0 HE3 LYS A 23 -4.157 0.813 -20.888 1.00 1.42 H new ATOM 0 HZ1 LYS A 23 -5.740 0.622 -22.693 1.00 71.50 H new ATOM 0 HZ2 LYS A 23 -6.361 1.638 -21.483 1.00 71.50 H new ATOM 0 HZ3 LYS A 23 -5.745 2.305 -22.918 1.00 71.50 H new ATOM 305 N ASN A 24 -4.355 3.434 -14.910 1.00 33.50 N ATOM 306 CA ASN A 24 -4.996 4.166 -13.820 1.00 51.00 C ATOM 307 C ASN A 24 -4.111 4.181 -12.580 1.00 12.10 C ATOM 308 O ASN A 24 -4.344 3.434 -11.630 1.00 32.40 O ATOM 309 CB ASN A 24 -6.353 3.541 -13.490 1.00 25.50 C ATOM 310 CG ASN A 24 -7.494 4.210 -14.230 1.00 72.20 C ATOM 311 OD1 ASN A 24 -7.287 5.155 -14.990 1.00 60.20 O ATOM 312 ND2 ASN A 24 -8.709 3.721 -14.010 1.00 53.10 N ATOM 0 H ASN A 24 -4.125 2.465 -14.690 1.00 33.50 H new ATOM 0 HA ASN A 24 -5.148 5.195 -14.144 1.00 51.00 H new ATOM 0 HB2 ASN A 24 -6.332 2.481 -13.742 1.00 25.50 H new ATOM 0 HB3 ASN A 24 -6.530 3.610 -12.417 1.00 25.50 H new ATOM 0 HD21 ASN A 24 -9.516 4.131 -14.480 1.00 53.10 H new ATOM 0 HD22 ASN A 24 -8.835 2.936 -13.371 1.00 53.10 H new ATOM 319 N TYR A 25 -3.094 5.036 -12.600 1.00 10.10 N ATOM 320 CA TYR A 25 -2.172 5.149 -11.470 1.00 4.44 C ATOM 321 C TYR A 25 -2.822 5.891 -10.310 1.00 42.20 C ATOM 322 O TYR A 25 -2.519 5.628 -9.150 1.00 4.52 O ATOM 323 CB TYR A 25 -0.895 5.871 -11.900 1.00 73.20 C ATOM 324 CG TYR A 25 -0.306 5.344 -13.190 1.00 51.30 C ATOM 325 CD1 TYR A 25 0.095 4.018 -13.300 1.00 22.40 C ATOM 326 CD2 TYR A 25 -0.152 6.171 -14.300 1.00 53.30 C ATOM 327 CE1 TYR A 25 0.633 3.533 -14.480 1.00 64.50 C ATOM 328 CE2 TYR A 25 0.385 5.693 -15.480 1.00 42.00 C ATOM 329 CZ TYR A 25 0.776 4.373 -15.560 1.00 71.40 C ATOM 330 OH TYR A 25 1.312 3.893 -16.740 1.00 34.20 O ATOM 0 H TYR A 25 -2.886 5.659 -13.381 1.00 10.10 H new ATOM 0 HA TYR A 25 -1.919 4.142 -11.137 1.00 4.44 H new ATOM 0 HB2 TYR A 25 -1.110 6.933 -12.016 1.00 73.20 H new ATOM 0 HB3 TYR A 25 -0.152 5.781 -11.108 1.00 73.20 H new ATOM 0 HD1 TYR A 25 -0.015 3.357 -12.453 1.00 22.40 H new ATOM 0 HD2 TYR A 25 -0.458 7.205 -14.237 1.00 53.30 H new ATOM 0 HE1 TYR A 25 0.939 2.500 -14.552 1.00 64.50 H new ATOM 0 HE2 TYR A 25 0.497 6.347 -16.332 1.00 42.00 H new ATOM 0 HH TYR A 25 1.343 4.614 -17.403 1.00 34.20 H new ATOM 340 N GLU A 26 -3.716 6.820 -10.630 1.00 74.10 N ATOM 341 CA GLU A 26 -4.408 7.601 -9.617 1.00 24.20 C ATOM 342 C GLU A 26 -5.260 6.701 -8.727 1.00 34.40 C ATOM 343 O GLU A 26 -5.159 6.750 -7.501 1.00 25.20 O ATOM 344 CB GLU A 26 -5.287 8.668 -10.270 1.00 4.40 C ATOM 345 CG GLU A 26 -5.630 9.825 -9.349 1.00 54.40 C ATOM 346 CD GLU A 26 -4.481 10.800 -9.184 1.00 21.00 C ATOM 347 OE1 GLU A 26 -4.144 11.491 -10.160 1.00 31.10 O ATOM 348 OE2 GLU A 26 -3.918 10.871 -8.071 1.00 32.30 O ATOM 0 H GLU A 26 -3.978 7.050 -11.589 1.00 74.10 H new ATOM 0 HA GLU A 26 -3.656 8.092 -8.999 1.00 24.20 H new ATOM 0 HB2 GLU A 26 -4.777 9.056 -11.152 1.00 4.40 H new ATOM 0 HB3 GLU A 26 -6.211 8.204 -10.615 1.00 4.40 H new ATOM 0 HG2 GLU A 26 -6.497 10.354 -9.744 1.00 54.40 H new ATOM 0 HG3 GLU A 26 -5.913 9.435 -8.372 1.00 54.40 H new ATOM 355 N GLU A 27 -6.098 5.881 -9.353 1.00 60.40 N ATOM 356 CA GLU A 27 -6.967 4.970 -8.617 1.00 34.00 C ATOM 357 C GLU A 27 -6.161 3.837 -7.990 1.00 54.40 C ATOM 358 O GLU A 27 -6.410 3.442 -6.850 1.00 71.40 O ATOM 359 CB GLU A 27 -8.041 4.396 -9.543 1.00 22.40 C ATOM 360 CG GLU A 27 -9.238 3.821 -8.804 1.00 72.10 C ATOM 361 CD GLU A 27 -10.520 3.926 -9.604 1.00 13.00 C ATOM 362 OE1 GLU A 27 -10.600 3.304 -10.680 1.00 62.00 O ATOM 363 OE2 GLU A 27 -11.440 4.631 -9.150 1.00 60.10 O ATOM 0 H GLU A 27 -6.194 5.829 -10.367 1.00 60.40 H new ATOM 0 HA GLU A 27 -7.449 5.534 -7.818 1.00 34.00 H new ATOM 0 HB2 GLU A 27 -8.384 5.180 -10.218 1.00 22.40 H new ATOM 0 HB3 GLU A 27 -7.597 3.616 -10.161 1.00 22.40 H new ATOM 0 HG2 GLU A 27 -9.046 2.774 -8.567 1.00 72.10 H new ATOM 0 HG3 GLU A 27 -9.361 4.345 -7.856 1.00 72.10 H new ATOM 370 N ALA A 28 -5.196 3.318 -8.741 1.00 32.30 N ATOM 371 CA ALA A 28 -4.353 2.230 -8.258 1.00 40.30 C ATOM 372 C ALA A 28 -3.592 2.641 -7.002 1.00 51.00 C ATOM 373 O ALA A 28 -3.541 1.896 -6.024 1.00 21.20 O ATOM 374 CB ALA A 28 -3.384 1.791 -9.345 1.00 1.44 C ATOM 0 H ALA A 28 -4.978 3.633 -9.686 1.00 32.30 H new ATOM 0 HA ALA A 28 -4.998 1.390 -8.001 1.00 40.30 H new ATOM 0 HB1 ALA A 28 -2.761 0.979 -8.971 1.00 1.44 H new ATOM 0 HB2 ALA A 28 -3.944 1.448 -10.215 1.00 1.44 H new ATOM 0 HB3 ALA A 28 -2.751 2.632 -9.630 1.00 1.44 H new ATOM 380 N LEU A 29 -3.002 3.831 -7.038 1.00 33.50 N ATOM 381 CA LEU A 29 -2.242 4.342 -5.902 1.00 52.50 C ATOM 382 C LEU A 29 -3.125 4.451 -4.663 1.00 32.30 C ATOM 383 O LEU A 29 -2.735 4.033 -3.572 1.00 51.10 O ATOM 384 CB LEU A 29 -1.640 5.709 -6.239 1.00 61.10 C ATOM 385 CG LEU A 29 -0.669 6.273 -5.197 1.00 34.10 C ATOM 386 CD1 LEU A 29 -1.428 6.810 -3.994 1.00 3.45 C ATOM 387 CD2 LEU A 29 0.334 5.212 -4.768 1.00 24.40 C ATOM 0 H LEU A 29 -3.035 4.460 -7.841 1.00 33.50 H new ATOM 0 HA LEU A 29 -1.435 3.641 -5.689 1.00 52.50 H new ATOM 0 HB2 LEU A 29 -1.119 5.632 -7.193 1.00 61.10 H new ATOM 0 HB3 LEU A 29 -2.453 6.422 -6.376 1.00 61.10 H new ATOM 0 HG LEU A 29 -0.120 7.098 -5.652 1.00 34.10 H new ATOM 0 HD11 LEU A 29 -0.721 7.206 -3.265 1.00 3.45 H new ATOM 0 HD12 LEU A 29 -2.102 7.604 -4.314 1.00 3.45 H new ATOM 0 HD13 LEU A 29 -2.005 6.005 -3.539 1.00 3.45 H new ATOM 0 HD21 LEU A 29 1.014 5.633 -4.028 1.00 24.40 H new ATOM 0 HD22 LEU A 29 -0.196 4.365 -4.333 1.00 24.40 H new ATOM 0 HD23 LEU A 29 0.903 4.878 -5.635 1.00 24.40 H new ATOM 399 N ARG A 30 -4.316 5.014 -4.838 1.00 44.20 N ATOM 400 CA ARG A 30 -5.254 5.177 -3.733 1.00 50.20 C ATOM 401 C ARG A 30 -5.625 3.827 -3.129 1.00 24.20 C ATOM 402 O ARG A 30 -5.583 3.648 -1.911 1.00 32.50 O ATOM 403 CB ARG A 30 -6.516 5.898 -4.212 1.00 41.20 C ATOM 404 CG ARG A 30 -6.232 7.197 -4.949 1.00 4.02 C ATOM 405 CD ARG A 30 -6.428 8.405 -4.047 1.00 70.10 C ATOM 406 NE ARG A 30 -6.725 9.615 -4.810 1.00 4.31 N ATOM 407 CZ ARG A 30 -5.803 10.340 -5.440 1.00 44.40 C ATOM 408 NH1 ARG A 30 -4.526 9.981 -5.400 1.00 3.24 N ATOM 409 NH2 ARG A 30 -6.159 11.427 -6.111 1.00 44.10 N ATOM 0 H ARG A 30 -4.654 5.365 -5.734 1.00 44.20 H new ATOM 0 HA ARG A 30 -4.769 5.777 -2.963 1.00 50.20 H new ATOM 0 HB2 ARG A 30 -7.077 5.233 -4.868 1.00 41.20 H new ATOM 0 HB3 ARG A 30 -7.152 6.109 -3.352 1.00 41.20 H new ATOM 0 HG2 ARG A 30 -5.210 7.186 -5.327 1.00 4.02 H new ATOM 0 HG3 ARG A 30 -6.890 7.277 -5.814 1.00 4.02 H new ATOM 0 HD2 ARG A 30 -7.241 8.208 -3.349 1.00 70.10 H new ATOM 0 HD3 ARG A 30 -5.528 8.563 -3.452 1.00 70.10 H new ATOM 0 HE ARG A 30 -7.696 9.923 -4.863 1.00 4.31 H new ATOM 0 HH11 ARG A 30 -4.247 9.146 -4.885 1.00 3.24 H new ATOM 0 HH12 ARG A 30 -3.824 10.540 -5.884 1.00 3.24 H new ATOM 0 HH21 ARG A 30 -7.139 11.708 -6.144 1.00 44.10 H new ATOM 0 HH22 ARG A 30 -5.453 11.983 -6.594 1.00 44.10 H new ATOM 423 N LEU A 31 -5.989 2.880 -3.987 1.00 53.20 N ATOM 424 CA LEU A 31 -6.368 1.545 -3.537 1.00 61.40 C ATOM 425 C LEU A 31 -5.154 0.776 -3.026 1.00 21.20 C ATOM 426 O LEU A 31 -5.268 -0.058 -2.128 1.00 12.10 O ATOM 427 CB LEU A 31 -7.035 0.771 -4.675 1.00 34.20 C ATOM 428 CG LEU A 31 -8.538 1.008 -4.827 1.00 2.00 C ATOM 429 CD1 LEU A 31 -8.997 0.645 -6.230 1.00 64.10 C ATOM 430 CD2 LEU A 31 -9.310 0.208 -3.788 1.00 30.40 C ATOM 0 H LEU A 31 -6.030 3.012 -4.998 1.00 53.20 H new ATOM 0 HA LEU A 31 -7.077 1.654 -2.716 1.00 61.40 H new ATOM 0 HB2 LEU A 31 -6.544 1.037 -5.611 1.00 34.20 H new ATOM 0 HB3 LEU A 31 -6.865 -0.294 -4.518 1.00 34.20 H new ATOM 0 HG LEU A 31 -8.738 2.067 -4.665 1.00 2.00 H new ATOM 0 HD11 LEU A 31 -10.069 0.820 -6.319 1.00 64.10 H new ATOM 0 HD12 LEU A 31 -8.467 1.261 -6.957 1.00 64.10 H new ATOM 0 HD13 LEU A 31 -8.784 -0.407 -6.422 1.00 64.10 H new ATOM 0 HD21 LEU A 31 -10.378 0.388 -3.910 1.00 30.40 H new ATOM 0 HD22 LEU A 31 -9.104 -0.854 -3.920 1.00 30.40 H new ATOM 0 HD23 LEU A 31 -9.002 0.516 -2.789 1.00 30.40 H new ATOM 442 N TYR A 32 -3.992 1.061 -3.605 1.00 23.50 N ATOM 443 CA TYR A 32 -2.757 0.395 -3.209 1.00 74.50 C ATOM 444 C TYR A 32 -2.453 0.643 -1.734 1.00 14.20 C ATOM 445 O TYR A 32 -2.379 -0.294 -0.940 1.00 63.00 O ATOM 446 CB TYR A 32 -1.591 0.882 -4.071 1.00 32.30 C ATOM 447 CG TYR A 32 -1.327 0.013 -5.280 1.00 35.40 C ATOM 448 CD1 TYR A 32 -1.214 -1.366 -5.157 1.00 34.40 C ATOM 449 CD2 TYR A 32 -1.192 0.572 -6.545 1.00 14.30 C ATOM 450 CE1 TYR A 32 -0.974 -2.163 -6.259 1.00 41.40 C ATOM 451 CE2 TYR A 32 -0.952 -0.219 -7.653 1.00 30.10 C ATOM 452 CZ TYR A 32 -0.844 -1.585 -7.504 1.00 2.31 C ATOM 453 OH TYR A 32 -0.604 -2.376 -8.605 1.00 13.10 O ATOM 0 H TYR A 32 -3.880 1.749 -4.350 1.00 23.50 H new ATOM 0 HA TYR A 32 -2.888 -0.677 -3.359 1.00 74.50 H new ATOM 0 HB2 TYR A 32 -1.796 1.900 -4.403 1.00 32.30 H new ATOM 0 HB3 TYR A 32 -0.690 0.922 -3.459 1.00 32.30 H new ATOM 0 HD1 TYR A 32 -1.316 -1.822 -4.183 1.00 34.40 H new ATOM 0 HD2 TYR A 32 -1.276 1.642 -6.665 1.00 14.30 H new ATOM 0 HE1 TYR A 32 -0.889 -3.234 -6.146 1.00 41.40 H new ATOM 0 HE2 TYR A 32 -0.850 0.231 -8.630 1.00 30.10 H new ATOM 0 HH TYR A 32 -0.540 -1.813 -9.405 1.00 13.10 H new ATOM 463 N GLN A 33 -2.278 1.911 -1.376 1.00 11.10 N ATOM 464 CA GLN A 33 -1.982 2.282 0.003 1.00 32.20 C ATOM 465 C GLN A 33 -3.096 1.827 0.941 1.00 30.00 C ATOM 466 O GLN A 33 -2.850 1.509 2.104 1.00 41.30 O ATOM 467 CB GLN A 33 -1.791 3.796 0.117 1.00 12.30 C ATOM 468 CG GLN A 33 -2.982 4.598 -0.382 1.00 45.00 C ATOM 469 CD GLN A 33 -2.714 6.090 -0.397 1.00 55.40 C ATOM 470 OE1 GLN A 33 -1.618 6.489 -1.032 1.00 74.10 O flip ATOM 471 NE2 GLN A 33 -3.484 6.876 0.155 1.00 75.00 N flip ATOM 0 H GLN A 33 -2.336 2.699 -2.022 1.00 11.10 H new ATOM 0 HA GLN A 33 -1.058 1.783 0.296 1.00 32.20 H new ATOM 0 HB2 GLN A 33 -1.602 4.053 1.159 1.00 12.30 H new ATOM 0 HB3 GLN A 33 -0.905 4.086 -0.449 1.00 12.30 H new ATOM 0 HG2 GLN A 33 -3.241 4.269 -1.388 1.00 45.00 H new ATOM 0 HG3 GLN A 33 -3.845 4.394 0.252 1.00 45.00 H new ATOM 0 HE21 GLN A 33 -4.315 6.526 0.632 1.00 75.00 H new ATOM 0 HE22 GLN A 33 -3.291 7.877 0.136 1.00 75.00 H new ATOM 480 N HIS A 34 -4.321 1.797 0.427 1.00 11.20 N ATOM 481 CA HIS A 34 -5.472 1.380 1.218 1.00 1.55 C ATOM 482 C HIS A 34 -5.393 -0.105 1.554 1.00 42.20 C ATOM 483 O HIS A 34 -5.708 -0.518 2.670 1.00 61.50 O ATOM 484 CB HIS A 34 -6.770 1.676 0.465 1.00 61.00 C ATOM 485 CG HIS A 34 -7.931 1.969 1.364 1.00 71.30 C ATOM 486 ND1 HIS A 34 -9.153 2.406 0.898 1.00 22.40 N ATOM 487 CD2 HIS A 34 -8.053 1.883 2.710 1.00 63.50 C ATOM 488 CE1 HIS A 34 -9.975 2.578 1.918 1.00 34.20 C ATOM 489 NE2 HIS A 34 -9.332 2.267 3.028 1.00 11.20 N ATOM 0 H HIS A 34 -4.542 2.057 -0.534 1.00 11.20 H new ATOM 0 HA HIS A 34 -5.464 1.946 2.150 1.00 1.55 H new ATOM 0 HB2 HIS A 34 -6.610 2.527 -0.197 1.00 61.00 H new ATOM 0 HB3 HIS A 34 -7.017 0.823 -0.167 1.00 61.00 H new ATOM 0 HD1 HIS A 34 -9.386 2.571 -0.081 1.00 22.40 H new ATOM 0 HD2 HIS A 34 -7.287 1.571 3.404 1.00 63.50 H new ATOM 0 HE1 HIS A 34 -10.999 2.916 1.854 1.00 34.20 H new ATOM 498 N ALA A 35 -4.970 -0.905 0.580 1.00 11.30 N ATOM 499 CA ALA A 35 -4.850 -2.345 0.771 1.00 25.30 C ATOM 500 C ALA A 35 -3.722 -2.678 1.742 1.00 32.40 C ATOM 501 O ALA A 35 -3.831 -3.607 2.542 1.00 71.30 O ATOM 502 CB ALA A 35 -4.621 -3.037 -0.564 1.00 14.30 C ATOM 0 H ALA A 35 -4.705 -0.580 -0.350 1.00 11.30 H new ATOM 0 HA ALA A 35 -5.783 -2.709 1.201 1.00 25.30 H new ATOM 0 HB1 ALA A 35 -4.533 -4.112 -0.406 1.00 14.30 H new ATOM 0 HB2 ALA A 35 -5.462 -2.835 -1.227 1.00 14.30 H new ATOM 0 HB3 ALA A 35 -3.703 -2.661 -1.016 1.00 14.30 H new ATOM 508 N VAL A 36 -2.638 -1.912 1.666 1.00 42.30 N ATOM 509 CA VAL A 36 -1.490 -2.126 2.538 1.00 32.10 C ATOM 510 C VAL A 36 -1.784 -1.657 3.959 1.00 23.30 C ATOM 511 O VAL A 36 -1.327 -2.259 4.930 1.00 73.10 O ATOM 512 CB VAL A 36 -0.241 -1.391 2.015 1.00 20.10 C ATOM 513 CG1 VAL A 36 0.983 -1.760 2.840 1.00 64.40 C ATOM 514 CG2 VAL A 36 -0.014 -1.704 0.544 1.00 31.20 C ATOM 0 H VAL A 36 -2.531 -1.138 1.010 1.00 42.30 H new ATOM 0 HA VAL A 36 -1.295 -3.198 2.545 1.00 32.10 H new ATOM 0 HB VAL A 36 -0.407 -0.318 2.114 1.00 20.10 H new ATOM 0 HG11 VAL A 36 1.854 -1.231 2.455 1.00 64.40 H new ATOM 0 HG12 VAL A 36 0.819 -1.479 3.880 1.00 64.40 H new ATOM 0 HG13 VAL A 36 1.154 -2.835 2.777 1.00 64.40 H new ATOM 0 HG21 VAL A 36 0.872 -1.176 0.192 1.00 31.20 H new ATOM 0 HG22 VAL A 36 0.129 -2.777 0.418 1.00 31.20 H new ATOM 0 HG23 VAL A 36 -0.881 -1.383 -0.034 1.00 31.20 H new ATOM 524 N GLU A 37 -2.552 -0.577 4.073 1.00 31.30 N ATOM 525 CA GLU A 37 -2.908 -0.027 5.375 1.00 63.30 C ATOM 526 C GLU A 37 -3.670 -1.052 6.209 1.00 31.20 C ATOM 527 O GLU A 37 -3.405 -1.220 7.399 1.00 31.30 O ATOM 528 CB GLU A 37 -3.751 1.238 5.205 1.00 75.10 C ATOM 529 CG GLU A 37 -3.476 2.299 6.257 1.00 23.30 C ATOM 530 CD GLU A 37 -3.850 1.845 7.654 1.00 51.30 C ATOM 531 OE1 GLU A 37 -5.054 1.630 7.906 1.00 44.30 O ATOM 532 OE2 GLU A 37 -2.939 1.705 8.497 1.00 24.20 O ATOM 0 H GLU A 37 -2.939 -0.066 3.279 1.00 31.30 H new ATOM 0 HA GLU A 37 -1.986 0.227 5.898 1.00 63.30 H new ATOM 0 HB2 GLU A 37 -3.563 1.660 4.218 1.00 75.10 H new ATOM 0 HB3 GLU A 37 -4.807 0.968 5.240 1.00 75.10 H new ATOM 0 HG2 GLU A 37 -2.418 2.562 6.235 1.00 23.30 H new ATOM 0 HG3 GLU A 37 -4.034 3.203 6.011 1.00 23.30 H new ATOM 539 N TYR A 38 -4.619 -1.734 5.576 1.00 25.20 N ATOM 540 CA TYR A 38 -5.420 -2.743 6.259 1.00 53.30 C ATOM 541 C TYR A 38 -4.577 -3.968 6.600 1.00 2.51 C ATOM 542 O TYR A 38 -4.779 -4.604 7.634 1.00 52.00 O ATOM 543 CB TYR A 38 -6.610 -3.154 5.389 1.00 72.40 C ATOM 544 CG TYR A 38 -7.845 -2.312 5.616 1.00 35.00 C ATOM 545 CD1 TYR A 38 -7.896 -0.991 5.190 1.00 50.00 C ATOM 546 CD2 TYR A 38 -8.961 -2.839 6.255 1.00 24.20 C ATOM 547 CE1 TYR A 38 -9.023 -0.218 5.396 1.00 14.40 C ATOM 548 CE2 TYR A 38 -10.090 -2.073 6.463 1.00 60.30 C ATOM 549 CZ TYR A 38 -10.110 -0.764 6.032 1.00 61.40 C ATOM 550 OH TYR A 38 -11.240 0.002 6.238 1.00 53.50 O ATOM 0 H TYR A 38 -4.852 -1.606 4.591 1.00 25.20 H new ATOM 0 HA TYR A 38 -5.790 -2.310 7.188 1.00 53.30 H new ATOM 0 HB2 TYR A 38 -6.323 -3.087 4.340 1.00 72.40 H new ATOM 0 HB3 TYR A 38 -6.851 -4.198 5.587 1.00 72.40 H new ATOM 0 HD1 TYR A 38 -7.041 -0.561 4.690 1.00 50.00 H new ATOM 0 HD2 TYR A 38 -8.944 -3.864 6.594 1.00 24.20 H new ATOM 0 HE1 TYR A 38 -9.048 0.808 5.059 1.00 14.40 H new ATOM 0 HE2 TYR A 38 -10.951 -2.496 6.959 1.00 60.30 H new ATOM 0 HH TYR A 38 -11.320 0.666 5.522 1.00 53.50 H new ATOM 560 N PHE A 39 -3.632 -4.292 5.724 1.00 73.30 N ATOM 561 CA PHE A 39 -2.759 -5.441 5.932 1.00 44.30 C ATOM 562 C PHE A 39 -1.957 -5.288 7.221 1.00 64.50 C ATOM 563 O PHE A 39 -1.925 -6.193 8.055 1.00 2.12 O ATOM 564 CB PHE A 39 -1.810 -5.609 4.745 1.00 43.20 C ATOM 565 CG PHE A 39 -2.351 -6.502 3.665 1.00 71.10 C ATOM 566 CD1 PHE A 39 -2.903 -7.734 3.979 1.00 12.40 C ATOM 567 CD2 PHE A 39 -2.308 -6.109 2.337 1.00 3.03 C ATOM 568 CE1 PHE A 39 -3.402 -8.557 2.987 1.00 65.00 C ATOM 569 CE2 PHE A 39 -2.806 -6.929 1.341 1.00 14.20 C ATOM 570 CZ PHE A 39 -3.353 -8.154 1.667 1.00 4.34 C ATOM 0 H PHE A 39 -3.451 -3.775 4.863 1.00 73.30 H new ATOM 0 HA PHE A 39 -3.384 -6.330 6.017 1.00 44.30 H new ATOM 0 HB2 PHE A 39 -1.595 -4.628 4.320 1.00 43.20 H new ATOM 0 HB3 PHE A 39 -0.864 -6.016 5.102 1.00 43.20 H new ATOM 0 HD1 PHE A 39 -2.944 -8.054 5.010 1.00 12.40 H new ATOM 0 HD2 PHE A 39 -1.881 -5.152 2.077 1.00 3.03 H new ATOM 0 HE1 PHE A 39 -3.830 -9.515 3.244 1.00 65.00 H new ATOM 0 HE2 PHE A 39 -2.767 -6.612 0.309 1.00 14.20 H new ATOM 0 HZ PHE A 39 -3.742 -8.796 0.891 1.00 4.34 H new ATOM 580 N LEU A 40 -1.311 -4.137 7.377 1.00 2.33 N ATOM 581 CA LEU A 40 -0.509 -3.865 8.564 1.00 42.40 C ATOM 582 C LEU A 40 -1.360 -3.947 9.827 1.00 60.40 C ATOM 583 O LEU A 40 -0.925 -4.479 10.848 1.00 32.20 O ATOM 584 CB LEU A 40 0.139 -2.483 8.462 1.00 11.50 C ATOM 585 CG LEU A 40 1.025 -2.273 7.233 1.00 51.30 C ATOM 586 CD1 LEU A 40 1.667 -0.895 7.267 1.00 11.50 C ATOM 587 CD2 LEU A 40 2.089 -3.358 7.152 1.00 62.20 C ATOM 0 H LEU A 40 -1.327 -3.378 6.696 1.00 2.33 H new ATOM 0 HA LEU A 40 0.273 -4.622 8.624 1.00 42.40 H new ATOM 0 HB2 LEU A 40 -0.648 -1.729 8.457 1.00 11.50 H new ATOM 0 HB3 LEU A 40 0.738 -2.312 9.356 1.00 11.50 H new ATOM 0 HG LEU A 40 0.400 -2.338 6.342 1.00 51.30 H new ATOM 0 HD11 LEU A 40 2.294 -0.764 6.385 1.00 11.50 H new ATOM 0 HD12 LEU A 40 0.889 -0.131 7.277 1.00 11.50 H new ATOM 0 HD13 LEU A 40 2.279 -0.801 8.164 1.00 11.50 H new ATOM 0 HD21 LEU A 40 2.710 -3.193 6.272 1.00 62.20 H new ATOM 0 HD22 LEU A 40 2.711 -3.325 8.047 1.00 62.20 H new ATOM 0 HD23 LEU A 40 1.609 -4.334 7.080 1.00 62.20 H new ATOM 599 N HIS A 41 -2.577 -3.417 9.750 1.00 71.50 N ATOM 600 CA HIS A 41 -3.490 -3.431 10.888 1.00 51.50 C ATOM 601 C HIS A 41 -3.792 -4.861 11.325 1.00 13.50 C ATOM 602 O HIS A 41 -4.029 -5.123 12.504 1.00 52.30 O ATOM 603 CB HIS A 41 -4.790 -2.707 10.533 1.00 21.40 C ATOM 604 CG HIS A 41 -4.780 -1.252 10.885 1.00 33.30 C ATOM 605 ND1 HIS A 41 -4.601 -0.253 9.952 1.00 3.15 N ATOM 606 CD2 HIS A 41 -4.928 -0.628 12.078 1.00 41.30 C ATOM 607 CE1 HIS A 41 -4.639 0.922 10.555 1.00 44.20 C ATOM 608 NE2 HIS A 41 -4.837 0.722 11.845 1.00 53.00 N ATOM 0 H HIS A 41 -2.953 -2.973 8.912 1.00 71.50 H new ATOM 0 HA HIS A 41 -3.008 -2.912 11.717 1.00 51.50 H new ATOM 0 HB2 HIS A 41 -4.975 -2.813 9.464 1.00 21.40 H new ATOM 0 HB3 HIS A 41 -5.619 -3.192 11.049 1.00 21.40 H new ATOM 0 HD1 HIS A 41 -4.461 -0.398 8.952 1.00 3.15 H new ATOM 0 HD2 HIS A 41 -5.088 -1.104 13.034 1.00 41.30 H new ATOM 0 HE1 HIS A 41 -4.527 1.883 10.074 1.00 44.20 H new ATOM 617 N ALA A 42 -3.783 -5.782 10.366 1.00 75.10 N ATOM 618 CA ALA A 42 -4.056 -7.185 10.653 1.00 24.10 C ATOM 619 C ALA A 42 -2.885 -7.835 11.382 1.00 23.30 C ATOM 620 O ALA A 42 -3.075 -8.716 12.220 1.00 31.20 O ATOM 621 CB ALA A 42 -4.361 -7.936 9.365 1.00 2.03 C ATOM 0 H ALA A 42 -3.590 -5.582 9.385 1.00 75.10 H new ATOM 0 HA ALA A 42 -4.928 -7.234 11.306 1.00 24.10 H new ATOM 0 HB1 ALA A 42 -4.563 -8.983 9.593 1.00 2.03 H new ATOM 0 HB2 ALA A 42 -5.234 -7.494 8.884 1.00 2.03 H new ATOM 0 HB3 ALA A 42 -3.505 -7.870 8.694 1.00 2.03 H new ATOM 627 N ILE A 43 -1.674 -7.395 11.056 1.00 43.20 N ATOM 628 CA ILE A 43 -0.472 -7.934 11.681 1.00 61.30 C ATOM 629 C ILE A 43 -0.356 -7.479 13.132 1.00 24.10 C ATOM 630 O ILE A 43 -0.169 -8.295 14.035 1.00 11.30 O ATOM 631 CB ILE A 43 0.797 -7.510 10.918 1.00 12.10 C ATOM 632 CG1 ILE A 43 0.640 -7.794 9.423 1.00 61.50 C ATOM 633 CG2 ILE A 43 2.016 -8.231 11.474 1.00 11.00 C ATOM 634 CD1 ILE A 43 1.845 -7.390 8.601 1.00 45.40 C ATOM 0 H ILE A 43 -1.499 -6.667 10.363 1.00 43.20 H new ATOM 0 HA ILE A 43 -0.559 -9.020 11.649 1.00 61.30 H new ATOM 0 HB ILE A 43 0.941 -6.438 11.052 1.00 12.10 H new ATOM 0 HG12 ILE A 43 0.454 -8.859 9.281 1.00 61.50 H new ATOM 0 HG13 ILE A 43 -0.237 -7.265 9.051 1.00 61.50 H new ATOM 0 HG21 ILE A 43 2.905 -7.921 10.924 1.00 11.00 H new ATOM 0 HG22 ILE A 43 2.136 -7.982 12.528 1.00 11.00 H new ATOM 0 HG23 ILE A 43 1.882 -9.308 11.368 1.00 11.00 H new ATOM 0 HD11 ILE A 43 1.663 -7.620 7.551 1.00 45.40 H new ATOM 0 HD12 ILE A 43 2.019 -6.320 8.713 1.00 45.40 H new ATOM 0 HD13 ILE A 43 2.721 -7.938 8.946 1.00 45.40 H new ATOM 646 N LYS A 44 -0.466 -6.173 13.348 1.00 64.20 N ATOM 647 CA LYS A 44 -0.373 -5.610 14.690 1.00 33.10 C ATOM 648 C LYS A 44 -1.462 -6.176 15.595 1.00 3.05 C ATOM 649 O LYS A 44 -1.242 -6.396 16.786 1.00 44.30 O ATOM 650 CB LYS A 44 -0.481 -4.085 14.635 1.00 74.10 C ATOM 651 CG LYS A 44 -1.714 -3.588 13.899 1.00 61.00 C ATOM 652 CD LYS A 44 -2.055 -2.158 14.284 1.00 10.30 C ATOM 653 CE LYS A 44 -2.742 -2.095 15.639 1.00 52.30 C ATOM 654 NZ LYS A 44 -1.762 -1.983 16.754 1.00 54.00 N ATOM 0 H LYS A 44 -0.620 -5.484 12.611 1.00 64.20 H new ATOM 0 HA LYS A 44 0.597 -5.884 15.105 1.00 33.10 H new ATOM 0 HB2 LYS A 44 -0.493 -3.693 15.652 1.00 74.10 H new ATOM 0 HB3 LYS A 44 0.408 -3.684 14.149 1.00 74.10 H new ATOM 0 HG2 LYS A 44 -1.545 -3.646 12.824 1.00 61.00 H new ATOM 0 HG3 LYS A 44 -2.560 -4.238 14.124 1.00 61.00 H new ATOM 0 HD2 LYS A 44 -1.144 -1.560 14.308 1.00 10.30 H new ATOM 0 HD3 LYS A 44 -2.704 -1.721 13.525 1.00 10.30 H new ATOM 0 HE2 LYS A 44 -3.419 -1.241 15.663 1.00 52.30 H new ATOM 0 HE3 LYS A 44 -3.351 -2.988 15.779 1.00 52.30 H new ATOM 0 HZ1 LYS A 44 -2.107 -1.292 17.451 1.00 54.00 H new ATOM 0 HZ2 LYS A 44 -1.649 -2.910 17.212 1.00 54.00 H new ATOM 0 HZ3 LYS A 44 -0.844 -1.668 16.379 1.00 54.00 H new ATOM 668 N TYR A 45 -2.638 -6.410 15.022 1.00 25.10 N ATOM 669 CA TYR A 45 -3.762 -6.951 15.777 1.00 31.10 C ATOM 670 C TYR A 45 -3.571 -8.441 16.043 1.00 45.40 C ATOM 671 O TYR A 45 -4.017 -8.961 17.066 1.00 0.21 O ATOM 672 CB TYR A 45 -5.071 -6.719 15.020 1.00 44.00 C ATOM 673 CG TYR A 45 -5.817 -5.481 15.466 1.00 22.10 C ATOM 674 CD1 TYR A 45 -5.395 -4.215 15.080 1.00 60.50 C ATOM 675 CD2 TYR A 45 -6.944 -5.579 16.273 1.00 21.10 C ATOM 676 CE1 TYR A 45 -6.074 -3.082 15.486 1.00 35.20 C ATOM 677 CE2 TYR A 45 -7.628 -4.450 16.683 1.00 41.30 C ATOM 678 CZ TYR A 45 -7.189 -3.205 16.287 1.00 42.00 C ATOM 679 OH TYR A 45 -7.868 -2.079 16.692 1.00 30.10 O ATOM 0 H TYR A 45 -2.837 -6.233 14.037 1.00 25.10 H new ATOM 0 HA TYR A 45 -3.808 -6.432 16.735 1.00 31.10 H new ATOM 0 HB2 TYR A 45 -4.856 -6.639 13.954 1.00 44.00 H new ATOM 0 HB3 TYR A 45 -5.716 -7.588 15.151 1.00 44.00 H new ATOM 0 HD1 TYR A 45 -4.522 -4.115 14.452 1.00 60.50 H new ATOM 0 HD2 TYR A 45 -7.291 -6.553 16.585 1.00 21.10 H new ATOM 0 HE1 TYR A 45 -5.733 -2.105 15.177 1.00 35.20 H new ATOM 0 HE2 TYR A 45 -8.502 -4.543 17.311 1.00 41.30 H new ATOM 0 HH TYR A 45 -8.630 -2.340 17.250 1.00 30.10 H new ATOM 689 N GLU A 46 -2.906 -9.122 15.116 1.00 0.21 N ATOM 690 CA GLU A 46 -2.656 -10.550 15.250 1.00 55.10 C ATOM 691 C GLU A 46 -1.592 -11.010 14.260 1.00 41.40 C ATOM 692 O GLU A 46 -1.391 -10.390 13.216 1.00 45.20 O ATOM 693 CB GLU A 46 -3.949 -11.340 15.032 1.00 2.11 C ATOM 694 CG GLU A 46 -3.865 -12.780 15.489 1.00 40.20 C ATOM 695 CD GLU A 46 -5.135 -13.560 15.202 1.00 25.30 C ATOM 696 OE1 GLU A 46 -6.138 -13.340 15.913 1.00 32.30 O ATOM 697 OE2 GLU A 46 -5.126 -14.390 14.265 1.00 52.10 O ATOM 0 H GLU A 46 -2.531 -8.706 14.263 1.00 0.21 H new ATOM 0 HA GLU A 46 -2.292 -10.736 16.260 1.00 55.10 H new ATOM 0 HB2 GLU A 46 -4.761 -10.845 15.565 1.00 2.11 H new ATOM 0 HB3 GLU A 46 -4.204 -11.318 13.972 1.00 2.11 H new ATOM 0 HG2 GLU A 46 -3.025 -13.266 14.993 1.00 40.20 H new ATOM 0 HG3 GLU A 46 -3.661 -12.806 16.560 1.00 40.20 H new ATOM 704 N ALA A 47 -0.913 -12.100 14.596 1.00 25.10 N ATOM 705 CA ALA A 47 0.131 -12.650 13.737 1.00 14.40 C ATOM 706 C ALA A 47 0.427 -14.100 14.087 1.00 40.40 C ATOM 707 O ALA A 47 0.591 -14.450 15.257 1.00 65.30 O ATOM 708 CB ALA A 47 1.395 -11.810 13.846 1.00 50.10 C ATOM 0 H ALA A 47 -1.066 -12.622 15.459 1.00 25.10 H new ATOM 0 HA ALA A 47 -0.227 -12.622 12.708 1.00 14.40 H new ATOM 0 HB1 ALA A 47 2.167 -12.229 13.201 1.00 50.10 H new ATOM 0 HB2 ALA A 47 1.180 -10.787 13.537 1.00 50.10 H new ATOM 0 HB3 ALA A 47 1.745 -11.811 14.878 1.00 50.10 H new ATOM 714 N HIS A 48 0.492 -14.950 13.066 1.00 64.20 N ATOM 715 CA HIS A 48 0.768 -16.370 13.266 1.00 52.10 C ATOM 716 C HIS A 48 2.160 -16.570 13.857 1.00 35.50 C ATOM 717 O HIS A 48 2.303 -16.880 15.039 1.00 24.10 O ATOM 718 CB HIS A 48 0.647 -17.120 11.942 1.00 33.10 C ATOM 719 CG HIS A 48 -0.763 -17.470 11.580 1.00 43.20 C ATOM 720 ND1 HIS A 48 -1.816 -16.590 11.718 1.00 0.41 N ATOM 721 CD2 HIS A 48 -1.293 -18.610 11.080 1.00 50.20 C ATOM 722 CE1 HIS A 48 -2.932 -17.180 11.321 1.00 23.20 C ATOM 723 NE2 HIS A 48 -2.641 -18.410 10.928 1.00 30.00 N ATOM 0 H HIS A 48 0.357 -14.680 12.092 1.00 64.20 H new ATOM 0 HA HIS A 48 0.035 -16.768 13.968 1.00 52.10 H new ATOM 0 HB2 HIS A 48 1.077 -16.510 11.148 1.00 33.10 H new ATOM 0 HB3 HIS A 48 1.237 -18.035 11.996 1.00 33.10 H new ATOM 0 HD2 HIS A 48 -0.752 -19.514 10.843 1.00 50.20 H new ATOM 0 HE1 HIS A 48 -3.915 -16.733 11.318 1.00 23.20 H new ATOM 0 HE2 HIS A 48 -3.308 -19.095 10.572 1.00 30.00 H new ATOM 732 N SER A 49 3.182 -16.400 13.026 1.00 0.54 N ATOM 733 CA SER A 49 4.562 -16.560 13.466 1.00 11.10 C ATOM 734 C SER A 49 5.481 -15.570 12.761 1.00 4.45 C ATOM 735 O SER A 49 5.029 -14.750 11.964 1.00 30.10 O ATOM 736 CB SER A 49 5.036 -17.990 13.199 1.00 52.30 C ATOM 737 OG SER A 49 4.455 -18.900 14.117 1.00 12.30 O ATOM 0 H SER A 49 3.080 -16.151 12.042 1.00 0.54 H new ATOM 0 HA SER A 49 4.601 -16.360 14.537 1.00 11.10 H new ATOM 0 HB2 SER A 49 4.775 -18.279 12.181 1.00 52.30 H new ATOM 0 HB3 SER A 49 6.122 -18.036 13.274 1.00 52.30 H new ATOM 0 HG SER A 49 4.773 -19.807 13.924 1.00 12.30 H new ATOM 743 N ASP A 50 6.773 -15.650 13.059 1.00 61.30 N ATOM 744 CA ASP A 50 7.756 -14.760 12.454 1.00 64.30 C ATOM 745 C ASP A 50 7.855 -15.000 10.951 1.00 53.20 C ATOM 746 O ASP A 50 8.012 -14.060 10.171 1.00 41.30 O ATOM 747 CB ASP A 50 9.126 -14.960 13.105 1.00 44.40 C ATOM 748 CG ASP A 50 9.137 -14.560 14.566 1.00 15.20 C ATOM 749 OD1 ASP A 50 8.757 -13.410 14.865 1.00 30.10 O ATOM 750 OD2 ASP A 50 9.525 -15.390 15.410 1.00 65.30 O ATOM 0 H ASP A 50 7.164 -16.324 13.717 1.00 61.30 H new ATOM 0 HA ASP A 50 7.429 -13.733 12.619 1.00 64.30 H new ATOM 0 HB2 ASP A 50 9.418 -16.006 13.016 1.00 44.40 H new ATOM 0 HB3 ASP A 50 9.870 -14.374 12.565 1.00 44.40 H new ATOM 755 N LYS A 51 7.762 -16.260 10.551 1.00 52.50 N ATOM 756 CA LYS A 51 7.840 -16.630 9.140 1.00 62.40 C ATOM 757 C LYS A 51 6.724 -15.960 8.344 1.00 23.10 C ATOM 758 O LYS A 51 6.977 -15.300 7.333 1.00 3.43 O ATOM 759 CB LYS A 51 7.759 -18.150 8.978 1.00 65.20 C ATOM 760 CG LYS A 51 8.558 -18.680 7.798 1.00 75.20 C ATOM 761 CD LYS A 51 8.359 -20.170 7.617 1.00 2.23 C ATOM 762 CE LYS A 51 9.429 -20.770 6.719 1.00 74.40 C ATOM 763 NZ LYS A 51 8.974 -22.040 6.080 1.00 43.20 N ATOM 0 H LYS A 51 7.632 -17.049 11.185 1.00 52.50 H new ATOM 0 HA LYS A 51 8.799 -16.286 8.753 1.00 62.40 H new ATOM 0 HB2 LYS A 51 8.118 -18.624 9.891 1.00 65.20 H new ATOM 0 HB3 LYS A 51 6.715 -18.439 8.858 1.00 65.20 H new ATOM 0 HG2 LYS A 51 8.256 -18.159 6.890 1.00 75.20 H new ATOM 0 HG3 LYS A 51 9.617 -18.469 7.950 1.00 75.20 H new ATOM 0 HD2 LYS A 51 8.381 -20.662 8.589 1.00 2.23 H new ATOM 0 HD3 LYS A 51 7.375 -20.357 7.187 1.00 2.23 H new ATOM 0 HE2 LYS A 51 9.698 -20.051 5.945 1.00 74.40 H new ATOM 0 HE3 LYS A 51 10.329 -20.960 7.304 1.00 74.40 H new ATOM 0 HZ1 LYS A 51 9.733 -22.416 5.476 1.00 43.20 H new ATOM 0 HZ2 LYS A 51 8.741 -22.736 6.817 1.00 43.20 H new ATOM 0 HZ3 LYS A 51 8.131 -21.854 5.501 1.00 43.20 H new ATOM 777 N ALA A 52 5.490 -16.130 8.806 1.00 32.30 N ATOM 778 CA ALA A 52 4.336 -15.540 8.137 1.00 64.40 C ATOM 779 C ALA A 52 4.449 -14.020 8.079 1.00 43.30 C ATOM 780 O ALA A 52 4.157 -13.410 7.053 1.00 62.10 O ATOM 781 CB ALA A 52 3.052 -15.950 8.844 1.00 33.30 C ATOM 0 H ALA A 52 5.263 -16.671 9.640 1.00 32.30 H new ATOM 0 HA ALA A 52 4.311 -15.913 7.113 1.00 64.40 H new ATOM 0 HB1 ALA A 52 2.198 -15.503 8.335 1.00 33.30 H new ATOM 0 HB2 ALA A 52 2.958 -17.036 8.826 1.00 33.30 H new ATOM 0 HB3 ALA A 52 3.080 -15.605 9.878 1.00 33.30 H new ATOM 787 N LYS A 53 4.876 -13.420 9.185 1.00 71.10 N ATOM 788 CA LYS A 53 5.028 -11.980 9.260 1.00 51.30 C ATOM 789 C LYS A 53 6.037 -11.480 8.229 1.00 71.20 C ATOM 790 O LYS A 53 5.906 -10.380 7.696 1.00 0.52 O ATOM 791 CB LYS A 53 5.471 -11.560 10.664 1.00 73.30 C ATOM 792 CG LYS A 53 4.336 -11.520 11.675 1.00 11.10 C ATOM 793 CD LYS A 53 4.688 -10.660 12.877 1.00 21.20 C ATOM 794 CE LYS A 53 5.663 -11.370 13.803 1.00 21.40 C ATOM 795 NZ LYS A 53 7.070 -10.950 13.556 1.00 65.20 N ATOM 0 H LYS A 53 5.123 -13.915 10.042 1.00 71.10 H new ATOM 0 HA LYS A 53 4.059 -11.531 9.042 1.00 51.30 H new ATOM 0 HB2 LYS A 53 6.236 -12.252 11.017 1.00 73.30 H new ATOM 0 HB3 LYS A 53 5.933 -10.574 10.610 1.00 73.30 H new ATOM 0 HG2 LYS A 53 3.437 -11.130 11.198 1.00 11.10 H new ATOM 0 HG3 LYS A 53 4.107 -12.533 12.006 1.00 11.10 H new ATOM 0 HD2 LYS A 53 5.125 -9.720 12.538 1.00 21.20 H new ATOM 0 HD3 LYS A 53 3.780 -10.410 13.425 1.00 21.20 H new ATOM 0 HE2 LYS A 53 5.398 -11.160 14.839 1.00 21.40 H new ATOM 0 HE3 LYS A 53 5.576 -12.448 13.664 1.00 21.40 H new ATOM 0 HZ1 LYS A 53 7.717 -11.697 13.879 1.00 65.20 H new ATOM 0 HZ2 LYS A 53 7.210 -10.786 12.539 1.00 65.20 H new ATOM 0 HZ3 LYS A 53 7.267 -10.072 14.078 1.00 65.20 H new ATOM 809 N GLU A 54 7.044 -12.300 7.952 1.00 12.10 N ATOM 810 CA GLU A 54 8.076 -11.950 6.984 1.00 21.10 C ATOM 811 C GLU A 54 7.489 -11.830 5.581 1.00 11.10 C ATOM 812 O GLU A 54 7.811 -10.910 4.837 1.00 63.00 O ATOM 813 CB GLU A 54 9.196 -12.990 6.997 1.00 71.30 C ATOM 814 CG GLU A 54 10.303 -12.680 7.992 1.00 1.23 C ATOM 815 CD GLU A 54 11.451 -11.910 7.366 1.00 31.40 C ATOM 816 OE1 GLU A 54 11.196 -10.850 6.771 1.00 61.40 O ATOM 817 OE2 GLU A 54 12.604 -12.380 7.472 1.00 3.33 O ATOM 0 H GLU A 54 7.168 -13.215 8.386 1.00 12.10 H new ATOM 0 HA GLU A 54 8.490 -10.982 7.268 1.00 21.10 H new ATOM 0 HB2 GLU A 54 8.771 -13.966 7.231 1.00 71.30 H new ATOM 0 HB3 GLU A 54 9.626 -13.061 5.998 1.00 71.30 H new ATOM 0 HG2 GLU A 54 9.891 -12.102 8.820 1.00 1.23 H new ATOM 0 HG3 GLU A 54 10.681 -13.612 8.411 1.00 1.23 H new ATOM 824 N SER A 55 6.626 -12.780 5.227 1.00 63.50 N ATOM 825 CA SER A 55 5.993 -12.780 3.913 1.00 33.10 C ATOM 826 C SER A 55 5.174 -11.520 3.699 1.00 73.30 C ATOM 827 O SER A 55 5.144 -10.960 2.600 1.00 31.30 O ATOM 828 CB SER A 55 5.098 -14.020 3.758 1.00 70.30 C ATOM 829 OG SER A 55 4.787 -14.250 2.396 1.00 31.50 O ATOM 0 H SER A 55 6.351 -13.556 5.830 1.00 63.50 H new ATOM 0 HA SER A 55 6.780 -12.807 3.159 1.00 33.10 H new ATOM 0 HB2 SER A 55 5.603 -14.892 4.172 1.00 70.30 H new ATOM 0 HB3 SER A 55 4.179 -13.884 4.327 1.00 70.30 H new ATOM 0 HG SER A 55 4.218 -15.044 2.320 1.00 31.50 H new ATOM 835 N ILE A 56 4.511 -11.060 4.757 1.00 74.20 N ATOM 836 CA ILE A 56 3.692 -9.861 4.685 1.00 52.10 C ATOM 837 C ILE A 56 4.560 -8.613 4.563 1.00 61.20 C ATOM 838 O ILE A 56 4.198 -7.658 3.876 1.00 20.10 O ATOM 839 CB ILE A 56 2.785 -9.723 5.923 1.00 52.40 C ATOM 840 CG1 ILE A 56 2.029 -11.020 6.178 1.00 21.40 C ATOM 841 CG2 ILE A 56 1.811 -8.568 5.740 1.00 75.50 C ATOM 842 CD1 ILE A 56 1.122 -10.970 7.388 1.00 14.40 C ATOM 0 H ILE A 56 4.527 -11.504 5.675 1.00 74.20 H new ATOM 0 HA ILE A 56 3.067 -9.957 3.797 1.00 52.10 H new ATOM 0 HB ILE A 56 3.413 -9.514 6.789 1.00 52.40 H new ATOM 0 HG12 ILE A 56 1.433 -11.261 5.298 1.00 21.40 H new ATOM 0 HG13 ILE A 56 2.748 -11.829 6.307 1.00 21.40 H new ATOM 0 HG21 ILE A 56 1.177 -8.483 6.623 1.00 75.50 H new ATOM 0 HG22 ILE A 56 2.368 -7.641 5.603 1.00 75.50 H new ATOM 0 HG23 ILE A 56 1.190 -8.751 4.863 1.00 75.50 H new ATOM 0 HD11 ILE A 56 0.618 -11.929 7.505 1.00 14.40 H new ATOM 0 HD12 ILE A 56 1.715 -10.761 8.279 1.00 14.40 H new ATOM 0 HD13 ILE A 56 0.379 -10.184 7.254 1.00 14.40 H new ATOM 854 N ARG A 57 5.707 -8.629 5.234 1.00 41.30 N ATOM 855 CA ARG A 57 6.627 -7.498 5.200 1.00 24.10 C ATOM 856 C ARG A 57 7.126 -7.246 3.780 1.00 33.30 C ATOM 857 O ARG A 57 6.994 -6.141 3.253 1.00 63.30 O ATOM 858 CB ARG A 57 7.813 -7.750 6.134 1.00 74.00 C ATOM 859 CG ARG A 57 7.639 -7.138 7.514 1.00 14.40 C ATOM 860 CD ARG A 57 8.540 -7.809 8.538 1.00 45.30 C ATOM 861 NE ARG A 57 9.768 -7.052 8.767 1.00 74.00 N ATOM 862 CZ ARG A 57 10.767 -7.475 9.539 1.00 62.20 C ATOM 863 NH1 ARG A 57 10.687 -8.647 10.157 1.00 74.20 N ATOM 864 NH2 ARG A 57 11.849 -6.724 9.694 1.00 12.20 N ATOM 0 H ARG A 57 6.021 -9.412 5.807 1.00 41.30 H new ATOM 0 HA ARG A 57 6.089 -6.613 5.539 1.00 24.10 H new ATOM 0 HB2 ARG A 57 7.961 -8.825 6.238 1.00 74.00 H new ATOM 0 HB3 ARG A 57 8.717 -7.346 5.678 1.00 74.00 H new ATOM 0 HG2 ARG A 57 7.865 -6.072 7.472 1.00 14.40 H new ATOM 0 HG3 ARG A 57 6.599 -7.231 7.826 1.00 14.40 H new ATOM 0 HD2 ARG A 57 8.001 -7.918 9.479 1.00 45.30 H new ATOM 0 HD3 ARG A 57 8.792 -8.813 8.197 1.00 45.30 H new ATOM 0 HE ARG A 57 9.866 -6.146 8.309 1.00 74.00 H new ATOM 0 HH11 ARG A 57 9.857 -9.229 10.042 1.00 74.20 H new ATOM 0 HH12 ARG A 57 11.455 -8.966 10.747 1.00 74.20 H new ATOM 0 HH21 ARG A 57 11.916 -5.822 9.222 1.00 12.20 H new ATOM 0 HH22 ARG A 57 12.614 -7.048 10.285 1.00 12.20 H new ATOM 878 N ALA A 58 7.699 -8.277 3.167 1.00 14.10 N ATOM 879 CA ALA A 58 8.216 -8.166 1.809 1.00 3.44 C ATOM 880 C ALA A 58 7.111 -7.784 0.831 1.00 33.30 C ATOM 881 O ALA A 58 7.360 -7.116 -0.173 1.00 61.00 O ATOM 882 CB ALA A 58 8.871 -9.472 1.386 1.00 53.20 C ATOM 0 H ALA A 58 7.817 -9.198 3.589 1.00 14.10 H new ATOM 0 HA ALA A 58 8.966 -7.375 1.795 1.00 3.44 H new ATOM 0 HB1 ALA A 58 9.253 -9.375 0.370 1.00 53.20 H new ATOM 0 HB2 ALA A 58 9.694 -9.702 2.062 1.00 53.20 H new ATOM 0 HB3 ALA A 58 8.136 -10.276 1.422 1.00 53.20 H new ATOM 888 N LYS A 59 5.889 -8.211 1.130 1.00 22.10 N ATOM 889 CA LYS A 59 4.745 -7.911 0.277 1.00 21.10 C ATOM 890 C LYS A 59 4.316 -6.456 0.440 1.00 2.31 C ATOM 891 O LYS A 59 3.823 -5.835 -0.502 1.00 70.20 O ATOM 892 CB LYS A 59 3.577 -8.840 0.609 1.00 23.10 C ATOM 893 CG LYS A 59 2.662 -9.113 -0.574 1.00 14.20 C ATOM 894 CD LYS A 59 1.422 -9.886 -0.152 1.00 53.20 C ATOM 895 CE LYS A 59 1.571 -11.370 -0.432 1.00 42.20 C ATOM 896 NZ LYS A 59 0.280 -11.990 -0.838 1.00 41.40 N ATOM 0 H LYS A 59 5.665 -8.766 1.956 1.00 22.10 H new ATOM 0 HA LYS A 59 5.042 -8.071 -0.759 1.00 21.10 H new ATOM 0 HB2 LYS A 59 3.970 -9.787 0.980 1.00 23.10 H new ATOM 0 HB3 LYS A 59 2.992 -8.400 1.417 1.00 23.10 H new ATOM 0 HG2 LYS A 59 2.366 -8.169 -1.032 1.00 14.20 H new ATOM 0 HG3 LYS A 59 3.204 -9.678 -1.332 1.00 14.20 H new ATOM 0 HD2 LYS A 59 1.240 -9.732 0.912 1.00 53.20 H new ATOM 0 HD3 LYS A 59 0.552 -9.500 -0.684 1.00 53.20 H new ATOM 0 HE2 LYS A 59 2.309 -11.519 -1.220 1.00 42.20 H new ATOM 0 HE3 LYS A 59 1.950 -11.871 0.458 1.00 42.20 H new ATOM 0 HZ1 LYS A 59 0.424 -13.004 -1.020 1.00 41.40 H new ATOM 0 HZ2 LYS A 59 -0.417 -11.871 -0.076 1.00 41.40 H new ATOM 0 HZ3 LYS A 59 -0.070 -11.529 -1.702 1.00 41.40 H new ATOM 910 N CYS A 60 4.507 -5.920 1.641 1.00 2.23 N ATOM 911 CA CYS A 60 4.141 -4.538 1.928 1.00 22.20 C ATOM 912 C CYS A 60 5.212 -3.576 1.425 1.00 2.10 C ATOM 913 O CYS A 60 4.904 -2.561 0.800 1.00 24.30 O ATOM 914 CB CYS A 60 3.932 -4.346 3.431 1.00 71.20 C ATOM 915 SG CYS A 60 2.527 -5.265 4.104 1.00 64.50 S ATOM 0 H CYS A 60 4.913 -6.422 2.431 1.00 2.23 H new ATOM 0 HA CYS A 60 3.209 -4.319 1.407 1.00 22.20 H new ATOM 0 HB2 CYS A 60 4.837 -4.652 3.955 1.00 71.20 H new ATOM 0 HB3 CYS A 60 3.789 -3.285 3.635 1.00 71.20 H new ATOM 0 HG CYS A 60 2.752 -6.541 3.998 1.00 64.50 H new ATOM 921 N VAL A 61 6.471 -3.900 1.703 1.00 14.30 N ATOM 922 CA VAL A 61 7.586 -3.063 1.277 1.00 32.40 C ATOM 923 C VAL A 61 7.598 -2.894 -0.239 1.00 12.30 C ATOM 924 O VAL A 61 7.901 -1.817 -0.752 1.00 23.30 O ATOM 925 CB VAL A 61 8.937 -3.650 1.734 1.00 13.20 C ATOM 926 CG1 VAL A 61 9.172 -5.014 1.103 1.00 74.50 C ATOM 927 CG2 VAL A 61 10.075 -2.697 1.400 1.00 62.40 C ATOM 0 H VAL A 61 6.744 -4.735 2.221 1.00 14.30 H new ATOM 0 HA VAL A 61 7.449 -2.088 1.745 1.00 32.40 H new ATOM 0 HB VAL A 61 8.906 -3.778 2.816 1.00 13.20 H new ATOM 0 HG11 VAL A 61 10.130 -5.410 1.439 1.00 74.50 H new ATOM 0 HG12 VAL A 61 8.374 -5.695 1.400 1.00 74.50 H new ATOM 0 HG13 VAL A 61 9.180 -4.916 0.017 1.00 74.50 H new ATOM 0 HG21 VAL A 61 11.020 -3.129 1.730 1.00 62.40 H new ATOM 0 HG22 VAL A 61 10.108 -2.533 0.323 1.00 62.40 H new ATOM 0 HG23 VAL A 61 9.914 -1.746 1.907 1.00 62.40 H new ATOM 937 N GLN A 62 7.265 -3.966 -0.950 1.00 15.10 N ATOM 938 CA GLN A 62 7.236 -3.937 -2.408 1.00 11.10 C ATOM 939 C GLN A 62 6.044 -3.129 -2.911 1.00 60.30 C ATOM 940 O GLN A 62 6.159 -2.368 -3.872 1.00 14.50 O ATOM 941 CB GLN A 62 7.173 -5.361 -2.966 1.00 64.40 C ATOM 942 CG GLN A 62 8.540 -5.969 -3.234 1.00 32.00 C ATOM 943 CD GLN A 62 8.457 -7.275 -4.000 1.00 43.30 C ATOM 944 OE1 GLN A 62 8.055 -7.301 -5.163 1.00 33.30 O ATOM 945 NE2 GLN A 62 8.838 -8.368 -3.349 1.00 12.30 N ATOM 0 H GLN A 62 7.012 -4.865 -0.541 1.00 15.10 H new ATOM 0 HA GLN A 62 8.151 -3.458 -2.756 1.00 11.10 H new ATOM 0 HB2 GLN A 62 6.634 -5.995 -2.262 1.00 64.40 H new ATOM 0 HB3 GLN A 62 6.599 -5.354 -3.893 1.00 64.40 H new ATOM 0 HG2 GLN A 62 9.145 -5.259 -3.798 1.00 32.00 H new ATOM 0 HG3 GLN A 62 9.050 -6.140 -2.286 1.00 32.00 H new ATOM 0 HE21 GLN A 62 9.165 -8.300 -2.385 1.00 12.30 H new ATOM 0 HE22 GLN A 62 8.804 -9.276 -3.813 1.00 12.30 H new ATOM 954 N TYR A 63 4.901 -3.297 -2.254 1.00 14.30 N ATOM 955 CA TYR A 63 3.689 -2.582 -2.634 1.00 52.30 C ATOM 956 C TYR A 63 3.857 -1.080 -2.427 1.00 52.50 C ATOM 957 O TYR A 63 3.289 -0.274 -3.164 1.00 52.40 O ATOM 958 CB TYR A 63 2.495 -3.090 -1.823 1.00 3.55 C ATOM 959 CG TYR A 63 1.781 -4.259 -2.464 1.00 63.40 C ATOM 960 CD1 TYR A 63 1.481 -4.255 -3.821 1.00 12.20 C ATOM 961 CD2 TYR A 63 1.405 -5.365 -1.713 1.00 61.30 C ATOM 962 CE1 TYR A 63 0.828 -5.321 -4.410 1.00 62.50 C ATOM 963 CE2 TYR A 63 0.752 -6.435 -2.295 1.00 44.40 C ATOM 964 CZ TYR A 63 0.466 -6.408 -3.643 1.00 13.10 C ATOM 965 OH TYR A 63 -0.184 -7.471 -4.227 1.00 61.50 O ATOM 0 H TYR A 63 4.789 -3.922 -1.456 1.00 14.30 H new ATOM 0 HA TYR A 63 3.505 -2.767 -3.692 1.00 52.30 H new ATOM 0 HB2 TYR A 63 2.839 -3.384 -0.831 1.00 3.55 H new ATOM 0 HB3 TYR A 63 1.786 -2.273 -1.685 1.00 3.55 H new ATOM 0 HD1 TYR A 63 1.763 -3.405 -4.425 1.00 12.20 H new ATOM 0 HD2 TYR A 63 1.627 -5.389 -0.656 1.00 61.30 H new ATOM 0 HE1 TYR A 63 0.602 -5.303 -5.466 1.00 62.50 H new ATOM 0 HE2 TYR A 63 0.467 -7.288 -1.697 1.00 44.40 H new ATOM 0 HH TYR A 63 -0.367 -8.155 -3.549 1.00 61.50 H new ATOM 975 N LEU A 64 4.641 -0.711 -1.419 1.00 43.00 N ATOM 976 CA LEU A 64 4.885 0.694 -1.115 1.00 12.10 C ATOM 977 C LEU A 64 5.790 1.327 -2.168 1.00 71.20 C ATOM 978 O LEU A 64 5.625 2.494 -2.522 1.00 3.24 O ATOM 979 CB LEU A 64 5.517 0.835 0.272 1.00 22.10 C ATOM 980 CG LEU A 64 4.526 1.079 1.412 1.00 2.50 C ATOM 981 CD1 LEU A 64 4.054 -0.242 2.000 1.00 75.30 C ATOM 982 CD2 LEU A 64 5.157 1.949 2.488 1.00 1.21 C ATOM 0 H LEU A 64 5.118 -1.366 -0.799 1.00 43.00 H new ATOM 0 HA LEU A 64 3.928 1.215 -1.124 1.00 12.10 H new ATOM 0 HB2 LEU A 64 6.083 -0.070 0.490 1.00 22.10 H new ATOM 0 HB3 LEU A 64 6.230 1.659 0.248 1.00 22.10 H new ATOM 0 HG LEU A 64 3.660 1.604 1.010 1.00 2.50 H new ATOM 0 HD11 LEU A 64 3.350 -0.049 2.809 1.00 75.30 H new ATOM 0 HD12 LEU A 64 3.563 -0.831 1.225 1.00 75.30 H new ATOM 0 HD13 LEU A 64 4.910 -0.794 2.388 1.00 75.30 H new ATOM 0 HD21 LEU A 64 4.439 2.113 3.291 1.00 1.21 H new ATOM 0 HD22 LEU A 64 6.040 1.451 2.887 1.00 1.21 H new ATOM 0 HD23 LEU A 64 5.445 2.908 2.058 1.00 1.21 H new ATOM 994 N ASP A 65 6.746 0.549 -2.664 1.00 11.40 N ATOM 995 CA ASP A 65 7.677 1.033 -3.677 1.00 42.50 C ATOM 996 C ASP A 65 6.932 1.483 -4.930 1.00 54.10 C ATOM 997 O ASP A 65 7.123 2.600 -5.410 1.00 1.22 O ATOM 998 CB ASP A 65 8.688 -0.058 -4.035 1.00 54.10 C ATOM 999 CG ASP A 65 10.070 0.502 -4.309 1.00 14.30 C ATOM 1000 OD1 ASP A 65 10.861 0.627 -3.351 1.00 55.40 O ATOM 1001 OD2 ASP A 65 10.361 0.815 -5.483 1.00 44.40 O ATOM 0 H ASP A 65 6.897 -0.419 -2.381 1.00 11.40 H new ATOM 0 HA ASP A 65 8.209 1.890 -3.265 1.00 42.50 H new ATOM 0 HB2 ASP A 65 8.746 -0.778 -3.219 1.00 54.10 H new ATOM 0 HB3 ASP A 65 8.338 -0.600 -4.914 1.00 54.10 H new ATOM 1006 N ARG A 66 6.082 0.605 -5.453 1.00 12.20 N ATOM 1007 CA ARG A 66 5.307 0.912 -6.649 1.00 23.30 C ATOM 1008 C ARG A 66 4.379 2.098 -6.405 1.00 23.10 C ATOM 1009 O ARG A 66 4.230 2.969 -7.262 1.00 5.45 O ATOM 1010 CB ARG A 66 4.492 -0.308 -7.081 1.00 2.13 C ATOM 1011 CG ARG A 66 3.680 -0.080 -8.346 1.00 10.40 C ATOM 1012 CD ARG A 66 4.414 -0.584 -9.578 1.00 62.30 C ATOM 1013 NE ARG A 66 3.508 -1.216 -10.530 1.00 63.40 N ATOM 1014 CZ ARG A 66 3.043 -2.457 -10.400 1.00 24.00 C ATOM 1015 NH1 ARG A 66 3.395 -3.201 -9.366 1.00 25.10 N ATOM 1016 NH2 ARG A 66 2.224 -2.954 -11.320 1.00 44.20 N ATOM 0 H ARG A 66 5.913 -0.324 -5.067 1.00 12.20 H new ATOM 0 HA ARG A 66 6.003 1.175 -7.446 1.00 23.30 H new ATOM 0 HB2 ARG A 66 5.168 -1.148 -7.239 1.00 2.13 H new ATOM 0 HB3 ARG A 66 3.818 -0.589 -6.272 1.00 2.13 H new ATOM 0 HG2 ARG A 66 2.720 -0.589 -8.260 1.00 10.40 H new ATOM 0 HG3 ARG A 66 3.468 0.983 -8.457 1.00 10.40 H new ATOM 0 HD2 ARG A 66 4.926 0.248 -10.061 1.00 62.30 H new ATOM 0 HD3 ARG A 66 5.180 -1.298 -9.277 1.00 62.30 H new ATOM 0 HE ARG A 66 3.213 -0.676 -11.343 1.00 63.40 H new ATOM 0 HH11 ARG A 66 4.028 -2.826 -8.659 1.00 25.10 H new ATOM 0 HH12 ARG A 66 3.034 -4.151 -9.274 1.00 25.10 H new ATOM 0 HH21 ARG A 66 1.953 -2.386 -12.123 1.00 44.20 H new ATOM 0 HH22 ARG A 66 1.866 -3.904 -11.224 1.00 44.20 H new ATOM 1030 N ALA A 67 3.759 2.124 -5.230 1.00 33.00 N ATOM 1031 CA ALA A 67 2.845 3.203 -4.870 1.00 41.30 C ATOM 1032 C ALA A 67 3.541 4.558 -4.943 1.00 54.30 C ATOM 1033 O ALA A 67 2.999 5.518 -5.490 1.00 51.20 O ATOM 1034 CB ALA A 67 2.280 2.972 -3.477 1.00 55.10 C ATOM 0 H ALA A 67 3.873 1.410 -4.510 1.00 33.00 H new ATOM 0 HA ALA A 67 2.024 3.206 -5.587 1.00 41.30 H new ATOM 0 HB1 ALA A 67 1.600 3.784 -3.221 1.00 55.10 H new ATOM 0 HB2 ALA A 67 1.739 2.026 -3.456 1.00 55.10 H new ATOM 0 HB3 ALA A 67 3.095 2.940 -2.754 1.00 55.10 H new ATOM 1040 N GLU A 68 4.747 4.627 -4.389 1.00 41.10 N ATOM 1041 CA GLU A 68 5.522 5.862 -4.392 1.00 14.20 C ATOM 1042 C GLU A 68 5.774 6.339 -5.820 1.00 74.10 C ATOM 1043 O GLU A 68 5.767 7.539 -6.095 1.00 4.45 O ATOM 1044 CB GLU A 68 6.854 5.651 -3.664 1.00 24.30 C ATOM 1045 CG GLU A 68 7.826 6.811 -3.810 1.00 62.20 C ATOM 1046 CD GLU A 68 8.883 6.827 -2.722 1.00 23.00 C ATOM 1047 OE1 GLU A 68 9.786 5.965 -2.760 1.00 51.00 O ATOM 1048 OE2 GLU A 68 8.806 7.701 -1.833 1.00 13.30 O ATOM 0 H GLU A 68 5.209 3.841 -3.932 1.00 41.10 H new ATOM 0 HA GLU A 68 4.949 6.628 -3.870 1.00 14.20 H new ATOM 0 HB2 GLU A 68 6.656 5.487 -2.605 1.00 24.30 H new ATOM 0 HB3 GLU A 68 7.325 4.745 -4.044 1.00 24.30 H new ATOM 0 HG2 GLU A 68 8.313 6.752 -4.783 1.00 62.20 H new ATOM 0 HG3 GLU A 68 7.272 7.749 -3.787 1.00 62.20 H new ATOM 1055 N LYS A 69 5.999 5.390 -6.721 1.00 5.14 N ATOM 1056 CA LYS A 69 6.256 5.709 -8.120 1.00 71.50 C ATOM 1057 C LYS A 69 4.963 6.064 -8.848 1.00 40.10 C ATOM 1058 O LYS A 69 4.968 6.857 -9.790 1.00 73.20 O ATOM 1059 CB LYS A 69 6.940 4.530 -8.812 1.00 25.40 C ATOM 1060 CG LYS A 69 7.270 4.789 -10.270 1.00 61.00 C ATOM 1061 CD LYS A 69 8.430 3.925 -10.740 1.00 23.40 C ATOM 1062 CE LYS A 69 9.753 4.665 -10.630 1.00 30.10 C ATOM 1063 NZ LYS A 69 10.866 3.760 -10.230 1.00 20.30 N ATOM 0 H LYS A 69 6.009 4.393 -6.507 1.00 5.14 H new ATOM 0 HA LYS A 69 6.916 6.576 -8.154 1.00 71.50 H new ATOM 0 HB2 LYS A 69 7.859 4.289 -8.277 1.00 25.40 H new ATOM 0 HB3 LYS A 69 6.293 3.655 -8.744 1.00 25.40 H new ATOM 0 HG2 LYS A 69 6.392 4.587 -10.884 1.00 61.00 H new ATOM 0 HG3 LYS A 69 7.520 5.841 -10.406 1.00 61.00 H new ATOM 0 HD2 LYS A 69 8.471 3.013 -10.144 1.00 23.40 H new ATOM 0 HD3 LYS A 69 8.265 3.623 -11.774 1.00 23.40 H new ATOM 0 HE2 LYS A 69 9.989 5.129 -11.587 1.00 30.10 H new ATOM 0 HE3 LYS A 69 9.659 5.469 -9.900 1.00 30.10 H new ATOM 0 HZ1 LYS A 69 11.750 4.304 -10.166 1.00 20.30 H new ATOM 0 HZ2 LYS A 69 10.653 3.336 -9.305 1.00 20.30 H new ATOM 0 HZ3 LYS A 69 10.973 3.007 -10.939 1.00 20.30 H new ATOM 1077 N LEU A 70 3.858 5.472 -8.407 1.00 2.34 N ATOM 1078 CA LEU A 70 2.559 5.728 -9.018 1.00 41.10 C ATOM 1079 C LEU A 70 2.091 7.150 -8.724 1.00 42.20 C ATOM 1080 O LEU A 70 1.749 7.903 -9.637 1.00 65.20 O ATOM 1081 CB LEU A 70 1.524 4.722 -8.511 1.00 73.50 C ATOM 1082 CG LEU A 70 1.649 3.314 -9.095 1.00 64.00 C ATOM 1083 CD1 LEU A 70 0.511 2.431 -8.607 1.00 72.20 C ATOM 1084 CD2 LEU A 70 1.669 3.367 -10.610 1.00 52.40 C ATOM 0 H LEU A 70 3.836 4.812 -7.629 1.00 2.34 H new ATOM 0 HA LEU A 70 2.665 5.615 -10.097 1.00 41.10 H new ATOM 0 HB2 LEU A 70 1.604 4.657 -7.426 1.00 73.50 H new ATOM 0 HB3 LEU A 70 0.528 5.104 -8.735 1.00 73.50 H new ATOM 0 HG LEU A 70 2.590 2.882 -8.753 1.00 64.00 H new ATOM 0 HD11 LEU A 70 0.616 1.433 -9.033 1.00 72.20 H new ATOM 0 HD12 LEU A 70 0.541 2.367 -7.519 1.00 72.20 H new ATOM 0 HD13 LEU A 70 -0.441 2.860 -8.919 1.00 72.20 H new ATOM 0 HD21 LEU A 70 1.758 2.356 -11.008 1.00 52.40 H new ATOM 0 HD22 LEU A 70 0.745 3.819 -10.970 1.00 52.40 H new ATOM 0 HD23 LEU A 70 2.518 3.964 -10.942 1.00 52.40 H new ATOM 1096 N LYS A 71 2.078 7.511 -7.445 1.00 24.20 N ATOM 1097 CA LYS A 71 1.652 8.842 -7.032 1.00 25.10 C ATOM 1098 C LYS A 71 2.548 9.914 -7.643 1.00 1.22 C ATOM 1099 O LYS A 71 2.078 10.983 -8.033 1.00 51.50 O ATOM 1100 CB LYS A 71 1.670 8.956 -5.506 1.00 41.10 C ATOM 1101 CG LYS A 71 0.542 9.806 -4.946 1.00 61.40 C ATOM 1102 CD LYS A 71 0.991 10.593 -3.725 1.00 0.41 C ATOM 1103 CE LYS A 71 1.015 9.723 -2.479 1.00 3.03 C ATOM 1104 NZ LYS A 71 1.762 10.369 -1.365 1.00 44.40 N ATOM 0 H LYS A 71 2.358 6.900 -6.677 1.00 24.20 H new ATOM 0 HA LYS A 71 0.634 8.997 -7.389 1.00 25.10 H new ATOM 0 HB2 LYS A 71 1.609 7.957 -5.075 1.00 41.10 H new ATOM 0 HB3 LYS A 71 2.624 9.381 -5.193 1.00 41.10 H new ATOM 0 HG2 LYS A 71 0.188 10.494 -5.714 1.00 61.40 H new ATOM 0 HG3 LYS A 71 -0.299 9.166 -4.679 1.00 61.40 H new ATOM 0 HD2 LYS A 71 1.985 11.005 -3.902 1.00 0.41 H new ATOM 0 HD3 LYS A 71 0.319 11.437 -3.568 1.00 0.41 H new ATOM 0 HE2 LYS A 71 -0.007 9.518 -2.160 1.00 3.03 H new ATOM 0 HE3 LYS A 71 1.474 8.763 -2.715 1.00 3.03 H new ATOM 0 HZ1 LYS A 71 1.239 10.240 -0.475 1.00 44.40 H new ATOM 0 HZ2 LYS A 71 2.703 9.934 -1.280 1.00 44.40 H new ATOM 0 HZ3 LYS A 71 1.867 11.385 -1.561 1.00 44.40 H new ATOM 1118 N ASP A 72 3.842 9.620 -7.725 1.00 13.20 N ATOM 1119 CA ASP A 72 4.805 10.558 -8.290 1.00 14.00 C ATOM 1120 C ASP A 72 4.668 10.631 -9.807 1.00 71.20 C ATOM 1121 O ASP A 72 4.931 11.669 -10.410 1.00 24.20 O ATOM 1122 CB ASP A 72 6.229 10.147 -7.914 1.00 23.20 C ATOM 1123 CG ASP A 72 6.609 10.590 -6.514 1.00 33.50 C ATOM 1124 OD1 ASP A 72 5.708 10.676 -5.654 1.00 2.22 O ATOM 1125 OD2 ASP A 72 7.808 10.851 -6.279 1.00 63.20 O ATOM 0 H ASP A 72 4.247 8.740 -7.407 1.00 13.20 H new ATOM 0 HA ASP A 72 4.598 11.545 -7.877 1.00 14.00 H new ATOM 0 HB2 ASP A 72 6.323 9.063 -7.987 1.00 23.20 H new ATOM 0 HB3 ASP A 72 6.929 10.576 -8.630 1.00 23.20 H new ATOM 1130 N TYR A 73 4.255 9.523 -10.410 1.00 52.10 N ATOM 1131 CA TYR A 73 4.083 9.462 -11.860 1.00 23.20 C ATOM 1132 C TYR A 73 3.059 10.490 -12.330 1.00 74.50 C ATOM 1133 O TYR A 73 3.281 11.199 -13.310 1.00 73.40 O ATOM 1134 CB TYR A 73 3.646 8.059 -12.280 1.00 71.20 C ATOM 1135 CG TYR A 73 3.493 7.898 -13.780 1.00 70.20 C ATOM 1136 CD1 TYR A 73 2.318 8.271 -14.420 1.00 4.13 C ATOM 1137 CD2 TYR A 73 4.522 7.374 -14.550 1.00 65.20 C ATOM 1138 CE1 TYR A 73 2.173 8.125 -15.780 1.00 23.10 C ATOM 1139 CE2 TYR A 73 4.386 7.225 -15.910 1.00 25.30 C ATOM 1140 CZ TYR A 73 3.210 7.602 -16.530 1.00 74.40 C ATOM 1141 OH TYR A 73 3.070 7.455 -17.890 1.00 0.21 O ATOM 0 H TYR A 73 4.033 8.656 -9.921 1.00 52.10 H new ATOM 0 HA TYR A 73 5.041 9.693 -12.327 1.00 23.20 H new ATOM 0 HB2 TYR A 73 4.376 7.336 -11.917 1.00 71.20 H new ATOM 0 HB3 TYR A 73 2.697 7.823 -11.798 1.00 71.20 H new ATOM 0 HD1 TYR A 73 1.505 8.682 -13.840 1.00 4.13 H new ATOM 0 HD2 TYR A 73 5.445 7.078 -14.073 1.00 65.20 H new ATOM 0 HE1 TYR A 73 1.251 8.418 -16.261 1.00 23.10 H new ATOM 0 HE2 TYR A 73 5.197 6.814 -16.493 1.00 25.30 H new ATOM 0 HH TYR A 73 3.892 7.074 -18.264 1.00 0.21 H new ATOM 1151 N LEU A 74 1.936 10.565 -11.620 1.00 74.20 N ATOM 1152 CA LEU A 74 0.877 11.507 -11.960 1.00 42.10 C ATOM 1153 C LEU A 74 1.246 12.922 -11.530 1.00 44.50 C ATOM 1154 O LEU A 74 0.854 13.899 -12.170 1.00 22.30 O ATOM 1155 CB LEU A 74 -0.440 11.088 -11.310 1.00 52.10 C ATOM 1156 CG LEU A 74 -1.271 10.084 -12.110 1.00 40.50 C ATOM 1157 CD1 LEU A 74 -2.068 9.187 -11.170 1.00 13.30 C ATOM 1158 CD2 LEU A 74 -2.197 10.809 -13.070 1.00 60.10 C ATOM 0 H LEU A 74 1.737 9.984 -10.806 1.00 74.20 H new ATOM 0 HA LEU A 74 0.755 11.498 -13.043 1.00 42.10 H new ATOM 0 HB2 LEU A 74 -0.223 10.658 -10.332 1.00 52.10 H new ATOM 0 HB3 LEU A 74 -1.043 11.980 -11.140 1.00 52.10 H new ATOM 0 HG LEU A 74 -0.595 9.458 -12.692 1.00 40.50 H new ATOM 0 HD11 LEU A 74 -2.654 8.478 -11.754 1.00 13.30 H new ATOM 0 HD12 LEU A 74 -1.384 8.643 -10.519 1.00 13.30 H new ATOM 0 HD13 LEU A 74 -2.737 9.798 -10.564 1.00 13.30 H new ATOM 0 HD21 LEU A 74 -2.781 10.080 -13.632 1.00 60.10 H new ATOM 0 HD22 LEU A 74 -2.869 11.457 -12.508 1.00 60.10 H new ATOM 0 HD23 LEU A 74 -1.606 11.411 -13.761 1.00 60.10 H new ATOM 1170 N ARG A 75 2.003 13.026 -10.450 1.00 61.10 N ATOM 1171 CA ARG A 75 2.425 14.323 -9.933 1.00 50.00 C ATOM 1172 C ARG A 75 3.516 14.929 -10.810 1.00 54.10 C ATOM 1173 O ARG A 75 3.613 16.149 -10.940 1.00 43.40 O ATOM 1174 CB ARG A 75 2.930 14.183 -8.496 1.00 41.20 C ATOM 1175 CG ARG A 75 2.946 15.494 -7.727 1.00 44.10 C ATOM 1176 CD ARG A 75 3.077 15.261 -6.231 1.00 43.10 C ATOM 1177 NE ARG A 75 1.780 15.048 -5.594 1.00 50.30 N ATOM 1178 CZ ARG A 75 1.614 14.892 -4.282 1.00 24.10 C ATOM 1179 NH1 ARG A 75 2.660 14.923 -3.466 1.00 65.40 N ATOM 1180 NH2 ARG A 75 0.399 14.704 -3.786 1.00 53.10 N ATOM 0 H ARG A 75 2.340 12.228 -9.912 1.00 61.10 H new ATOM 0 HA ARG A 75 1.562 14.989 -9.945 1.00 50.00 H new ATOM 0 HB2 ARG A 75 2.300 13.468 -7.966 1.00 41.20 H new ATOM 0 HB3 ARG A 75 3.938 13.769 -8.513 1.00 41.20 H new ATOM 0 HG2 ARG A 75 3.775 16.110 -8.074 1.00 44.10 H new ATOM 0 HG3 ARG A 75 2.030 16.048 -7.931 1.00 44.10 H new ATOM 0 HD2 ARG A 75 3.714 14.395 -6.054 1.00 43.10 H new ATOM 0 HD3 ARG A 75 3.570 16.118 -5.772 1.00 43.10 H new ATOM 0 HE ARG A 75 0.952 15.017 -6.189 1.00 50.30 H new ATOM 0 HH11 ARG A 75 3.597 15.067 -3.843 1.00 65.40 H new ATOM 0 HH12 ARG A 75 2.527 14.803 -2.462 1.00 65.40 H new ATOM 0 HH21 ARG A 75 -0.408 14.679 -4.409 1.00 53.10 H new ATOM 0 HH22 ARG A 75 0.271 14.584 -2.781 1.00 53.10 H new TER 1194 ARG A 75 ATOM 1195 N GLU B 115 10.206 -3.041 9.255 1.00 34.10 N ATOM 1196 CA GLU B 115 8.791 -2.692 9.220 1.00 53.10 C ATOM 1197 C GLU B 115 8.599 -1.183 9.342 1.00 61.10 C ATOM 1198 O GLU B 115 7.653 -0.621 8.791 1.00 12.00 O ATOM 1199 CB GLU B 115 8.040 -3.405 10.346 1.00 20.10 C ATOM 1200 CG GLU B 115 6.630 -3.825 9.967 1.00 51.10 C ATOM 1201 CD GLU B 115 5.584 -2.818 10.404 1.00 44.10 C ATOM 1202 OE1 GLU B 115 5.945 -1.641 10.614 1.00 22.10 O ATOM 1203 OE2 GLU B 115 4.405 -3.206 10.538 1.00 10.40 O ATOM 0 HA GLU B 115 8.387 -3.016 8.261 1.00 53.10 H new ATOM 0 HB2 GLU B 115 8.605 -4.288 10.646 1.00 20.10 H new ATOM 0 HB3 GLU B 115 7.993 -2.747 11.214 1.00 20.10 H new ATOM 0 HG2 GLU B 115 6.572 -3.957 8.887 1.00 51.10 H new ATOM 0 HG3 GLU B 115 6.409 -4.792 10.419 1.00 51.10 H new ATOM 1210 N ASP B 116 9.503 -0.534 10.068 1.00 72.30 N ATOM 1211 CA ASP B 116 9.434 0.910 10.263 1.00 3.03 C ATOM 1212 C ASP B 116 9.685 1.649 8.953 1.00 4.43 C ATOM 1213 O ASP B 116 9.162 2.743 8.737 1.00 63.50 O ATOM 1214 CB ASP B 116 10.453 1.353 11.315 1.00 25.30 C ATOM 1215 CG ASP B 116 10.196 2.762 11.812 1.00 14.10 C ATOM 1216 OD1 ASP B 116 9.021 3.187 11.809 1.00 71.30 O ATOM 1217 OD2 ASP B 116 11.168 3.440 12.203 1.00 75.10 O ATOM 0 H ASP B 116 10.292 -0.985 10.531 1.00 72.30 H new ATOM 0 HA ASP B 116 8.431 1.156 10.612 1.00 3.03 H new ATOM 0 HB2 ASP B 116 10.424 0.663 12.158 1.00 25.30 H new ATOM 0 HB3 ASP B 116 11.456 1.297 10.891 1.00 25.30 H new ATOM 1222 N GLN B 117 10.487 1.046 8.082 1.00 40.30 N ATOM 1223 CA GLN B 117 10.807 1.649 6.792 1.00 43.20 C ATOM 1224 C GLN B 117 9.543 1.885 5.972 1.00 71.20 C ATOM 1225 O GLN B 117 9.225 3.020 5.616 1.00 61.10 O ATOM 1226 CB GLN B 117 11.774 0.755 6.014 1.00 4.44 C ATOM 1227 CG GLN B 117 12.683 1.522 5.067 1.00 21.20 C ATOM 1228 CD GLN B 117 13.704 0.629 4.389 1.00 34.20 C ATOM 1229 OE1 GLN B 117 14.025 -0.452 4.881 1.00 52.10 O ATOM 1230 NE2 GLN B 117 14.220 1.079 3.251 1.00 0.24 N ATOM 0 H GLN B 117 10.927 0.141 8.245 1.00 40.30 H new ATOM 0 HA GLN B 117 11.282 2.612 6.978 1.00 43.20 H new ATOM 0 HB2 GLN B 117 12.388 0.196 6.721 1.00 4.44 H new ATOM 0 HB3 GLN B 117 11.201 0.025 5.443 1.00 4.44 H new ATOM 0 HG2 GLN B 117 12.077 2.016 4.308 1.00 21.20 H new ATOM 0 HG3 GLN B 117 13.201 2.305 5.621 1.00 21.20 H new ATOM 0 HE21 GLN B 117 13.925 1.982 2.879 1.00 0.24 H new ATOM 0 HE22 GLN B 117 14.911 0.522 2.749 1.00 0.24 H new ATOM 1239 N LEU B 118 8.826 0.806 5.674 1.00 61.10 N ATOM 1240 CA LEU B 118 7.597 0.897 4.895 1.00 52.40 C ATOM 1241 C LEU B 118 6.470 1.504 5.724 1.00 11.20 C ATOM 1242 O LEU B 118 5.584 2.172 5.191 1.00 44.30 O ATOM 1243 CB LEU B 118 7.186 -0.487 4.388 1.00 3.12 C ATOM 1244 CG LEU B 118 6.863 -1.508 5.481 1.00 62.10 C ATOM 1245 CD1 LEU B 118 5.714 -2.407 5.050 1.00 2.01 C ATOM 1246 CD2 LEU B 118 8.094 -2.337 5.814 1.00 35.30 C ATOM 0 H LEU B 118 9.075 -0.141 5.960 1.00 61.10 H new ATOM 0 HA LEU B 118 7.785 1.548 4.041 1.00 52.40 H new ATOM 0 HB2 LEU B 118 6.312 -0.377 3.745 1.00 3.12 H new ATOM 0 HB3 LEU B 118 7.990 -0.883 3.768 1.00 3.12 H new ATOM 0 HG LEU B 118 6.558 -0.968 6.377 1.00 62.10 H new ATOM 0 HD11 LEU B 118 5.499 -3.126 5.840 1.00 2.01 H new ATOM 0 HD12 LEU B 118 4.829 -1.800 4.861 1.00 2.01 H new ATOM 0 HD13 LEU B 118 5.990 -2.939 4.140 1.00 2.01 H new ATOM 0 HD21 LEU B 118 7.847 -3.058 6.593 1.00 35.30 H new ATOM 0 HD22 LEU B 118 8.428 -2.867 4.922 1.00 35.30 H new ATOM 0 HD23 LEU B 118 8.890 -1.681 6.166 1.00 35.30 H new ATOM 1258 N SER B 119 6.509 1.267 7.031 1.00 11.40 N ATOM 1259 CA SER B 119 5.490 1.791 7.934 1.00 3.22 C ATOM 1260 C SER B 119 5.455 3.315 7.888 1.00 75.20 C ATOM 1261 O SER B 119 4.388 3.919 7.779 1.00 40.20 O ATOM 1262 CB SER B 119 5.753 1.318 9.364 1.00 33.40 C ATOM 1263 OG SER B 119 4.818 1.880 10.268 1.00 43.30 O ATOM 0 H SER B 119 7.235 0.716 7.489 1.00 11.40 H new ATOM 0 HA SER B 119 4.521 1.413 7.607 1.00 3.22 H new ATOM 0 HB2 SER B 119 5.696 0.230 9.407 1.00 33.40 H new ATOM 0 HB3 SER B 119 6.764 1.596 9.662 1.00 33.40 H new ATOM 0 HG SER B 119 5.007 1.561 11.175 1.00 43.30 H new ATOM 1269 N ARG B 120 6.630 3.931 7.972 1.00 63.20 N ATOM 1270 CA ARG B 120 6.734 5.386 7.940 1.00 21.30 C ATOM 1271 C ARG B 120 6.342 5.929 6.570 1.00 41.20 C ATOM 1272 O ARG B 120 5.688 6.967 6.467 1.00 43.30 O ATOM 1273 CB ARG B 120 8.158 5.823 8.287 1.00 11.00 C ATOM 1274 CG ARG B 120 8.384 6.037 9.775 1.00 1.34 C ATOM 1275 CD ARG B 120 9.724 6.703 10.045 1.00 33.20 C ATOM 1276 NE ARG B 120 9.651 7.650 11.154 1.00 23.50 N ATOM 1277 CZ ARG B 120 9.662 7.293 12.436 1.00 14.40 C ATOM 1278 NH1 ARG B 120 9.744 6.012 12.775 1.00 33.30 N ATOM 1279 NH2 ARG B 120 9.592 8.219 13.383 1.00 20.20 N ATOM 0 H ARG B 120 7.523 3.446 8.063 1.00 63.20 H new ATOM 0 HA ARG B 120 6.046 5.792 8.682 1.00 21.30 H new ATOM 0 HB2 ARG B 120 8.858 5.069 7.926 1.00 11.00 H new ATOM 0 HB3 ARG B 120 8.384 6.748 7.757 1.00 11.00 H new ATOM 0 HG2 ARG B 120 7.582 6.653 10.181 1.00 1.34 H new ATOM 0 HG3 ARG B 120 8.342 5.078 10.292 1.00 1.34 H new ATOM 0 HD2 ARG B 120 10.470 5.940 10.269 1.00 33.20 H new ATOM 0 HD3 ARG B 120 10.058 7.222 9.147 1.00 33.20 H new ATOM 0 HE ARG B 120 9.588 8.644 10.933 1.00 23.50 H new ATOM 0 HH11 ARG B 120 9.799 5.295 12.051 1.00 33.30 H new ATOM 0 HH12 ARG B 120 9.752 5.744 13.759 1.00 33.30 H new ATOM 0 HH21 ARG B 120 9.530 9.205 13.129 1.00 20.20 H new ATOM 0 HH22 ARG B 120 9.600 7.945 14.366 1.00 20.20 H new ATOM 1293 N ARG B 121 6.745 5.221 5.521 1.00 54.30 N ATOM 1294 CA ARG B 121 6.436 5.632 4.156 1.00 61.40 C ATOM 1295 C ARG B 121 4.936 5.554 3.892 1.00 33.30 C ATOM 1296 O ARG B 121 4.375 6.394 3.188 1.00 20.30 O ATOM 1297 CB ARG B 121 7.189 4.756 3.154 1.00 75.20 C ATOM 1298 CG ARG B 121 8.697 4.938 3.199 1.00 64.40 C ATOM 1299 CD ARG B 121 9.416 3.806 2.483 1.00 70.30 C ATOM 1300 NE ARG B 121 10.592 4.278 1.756 1.00 41.20 N ATOM 1301 CZ ARG B 121 11.193 3.587 0.789 1.00 23.40 C ATOM 1302 NH1 ARG B 121 10.732 2.395 0.432 1.00 62.20 N ATOM 1303 NH2 ARG B 121 12.257 4.090 0.179 1.00 50.20 N ATOM 0 H ARG B 121 7.287 4.359 5.589 1.00 54.30 H new ATOM 0 HA ARG B 121 6.755 6.667 4.033 1.00 61.40 H new ATOM 0 HB2 ARG B 121 6.952 3.710 3.349 1.00 75.20 H new ATOM 0 HB3 ARG B 121 6.834 4.982 2.148 1.00 75.20 H new ATOM 0 HG2 ARG B 121 8.964 5.889 2.738 1.00 64.40 H new ATOM 0 HG3 ARG B 121 9.028 4.982 4.236 1.00 64.40 H new ATOM 0 HD2 ARG B 121 9.718 3.051 3.209 1.00 70.30 H new ATOM 0 HD3 ARG B 121 8.730 3.323 1.788 1.00 70.30 H new ATOM 0 HE ARG B 121 10.975 5.190 2.004 1.00 41.20 H new ATOM 0 HH11 ARG B 121 9.914 2.004 0.899 1.00 62.20 H new ATOM 0 HH12 ARG B 121 11.196 1.870 -0.309 1.00 62.20 H new ATOM 0 HH21 ARG B 121 12.615 5.006 0.450 1.00 50.20 H new ATOM 0 HH22 ARG B 121 12.718 3.561 -0.562 1.00 50.20 H new ATOM 1317 N LEU B 122 4.292 4.540 4.460 1.00 24.50 N ATOM 1318 CA LEU B 122 2.856 4.352 4.286 1.00 72.00 C ATOM 1319 C LEU B 122 2.081 5.548 4.830 1.00 64.30 C ATOM 1320 O LEU B 122 1.162 6.051 4.183 1.00 63.10 O ATOM 1321 CB LEU B 122 2.399 3.072 4.987 1.00 33.50 C ATOM 1322 CG LEU B 122 0.986 2.608 4.632 1.00 54.40 C ATOM 1323 CD1 LEU B 122 0.897 1.090 4.667 1.00 74.20 C ATOM 1324 CD2 LEU B 122 -0.031 3.225 5.581 1.00 30.00 C ATOM 0 H LEU B 122 4.742 3.836 5.045 1.00 24.50 H new ATOM 0 HA LEU B 122 2.653 4.265 3.219 1.00 72.00 H new ATOM 0 HB2 LEU B 122 3.099 2.273 4.743 1.00 33.50 H new ATOM 0 HB3 LEU B 122 2.454 3.227 6.065 1.00 33.50 H new ATOM 0 HG LEU B 122 0.759 2.941 3.619 1.00 54.40 H new ATOM 0 HD11 LEU B 122 -0.116 0.779 4.412 1.00 74.20 H new ATOM 0 HD12 LEU B 122 1.598 0.668 3.947 1.00 74.20 H new ATOM 0 HD13 LEU B 122 1.145 0.734 5.667 1.00 74.20 H new ATOM 0 HD21 LEU B 122 -1.031 2.884 5.314 1.00 30.00 H new ATOM 0 HD22 LEU B 122 0.195 2.922 6.603 1.00 30.00 H new ATOM 0 HD23 LEU B 122 0.014 4.312 5.506 1.00 30.00 H new ATOM 1336 N ALA B 123 2.457 5.998 6.022 1.00 70.20 N ATOM 1337 CA ALA B 123 1.798 7.135 6.653 1.00 31.40 C ATOM 1338 C ALA B 123 1.920 8.387 5.792 1.00 1.13 C ATOM 1339 O ALA B 123 0.921 9.031 5.469 1.00 2.23 O ATOM 1340 CB ALA B 123 2.382 7.383 8.035 1.00 61.40 C ATOM 0 H ALA B 123 3.215 5.592 6.571 1.00 70.20 H new ATOM 0 HA ALA B 123 0.739 6.899 6.756 1.00 31.40 H new ATOM 0 HB1 ALA B 123 1.881 8.235 8.494 1.00 61.40 H new ATOM 0 HB2 ALA B 123 2.237 6.499 8.655 1.00 61.40 H new ATOM 0 HB3 ALA B 123 3.448 7.594 7.947 1.00 61.40 H new ATOM 1346 N ALA B 124 3.150 8.728 5.423 1.00 5.24 N ATOM 1347 CA ALA B 124 3.403 9.904 4.599 1.00 33.30 C ATOM 1348 C ALA B 124 2.684 9.800 3.258 1.00 73.30 C ATOM 1349 O ALA B 124 2.298 10.810 2.670 1.00 51.30 O ATOM 1350 CB ALA B 124 4.898 10.086 4.385 1.00 4.44 C ATOM 0 H ALA B 124 3.988 8.206 5.682 1.00 5.24 H new ATOM 0 HA ALA B 124 3.013 10.776 5.124 1.00 33.30 H new ATOM 0 HB1 ALA B 124 5.073 10.968 3.768 1.00 4.44 H new ATOM 0 HB2 ALA B 124 5.391 10.214 5.349 1.00 4.44 H new ATOM 0 HB3 ALA B 124 5.304 9.207 3.884 1.00 4.44 H new ATOM 1356 N LEU B 125 2.507 8.573 2.779 1.00 34.40 N ATOM 1357 CA LEU B 125 1.834 8.338 1.507 1.00 51.40 C ATOM 1358 C LEU B 125 0.412 8.889 1.532 1.00 35.20 C ATOM 1359 O LEU B 125 0.008 9.631 0.637 1.00 32.30 O ATOM 1360 CB LEU B 125 1.807 6.841 1.189 1.00 44.10 C ATOM 1361 CG LEU B 125 1.942 6.492 -0.294 1.00 63.40 C ATOM 1362 CD1 LEU B 125 3.348 6.797 -0.788 1.00 53.20 C ATOM 1363 CD2 LEU B 125 1.598 5.028 -0.529 1.00 71.30 C ATOM 0 H LEU B 125 2.820 7.726 3.253 1.00 34.40 H new ATOM 0 HA LEU B 125 2.392 8.859 0.729 1.00 51.40 H new ATOM 0 HB2 LEU B 125 2.614 6.354 1.736 1.00 44.10 H new ATOM 0 HB3 LEU B 125 0.872 6.423 1.561 1.00 44.10 H new ATOM 0 HG LEU B 125 1.240 7.106 -0.858 1.00 63.40 H new ATOM 0 HD11 LEU B 125 3.425 6.542 -1.845 1.00 53.20 H new ATOM 0 HD12 LEU B 125 3.559 7.858 -0.654 1.00 53.20 H new ATOM 0 HD13 LEU B 125 4.069 6.209 -0.220 1.00 53.20 H new ATOM 0 HD21 LEU B 125 1.699 4.796 -1.589 1.00 71.30 H new ATOM 0 HD22 LEU B 125 2.276 4.398 0.046 1.00 71.30 H new ATOM 0 HD23 LEU B 125 0.572 4.840 -0.213 1.00 71.30 H new ATOM 1375 N ARG B 126 -0.342 8.522 2.563 1.00 71.30 N ATOM 1376 CA ARG B 126 -1.719 8.980 2.705 1.00 12.10 C ATOM 1377 C ARG B 126 -1.766 10.399 3.263 1.00 24.30 C ATOM 1378 O ARG B 126 -2.678 11.167 2.956 1.00 43.50 O ATOM 1379 CB ARG B 126 -2.503 8.034 3.616 1.00 42.50 C ATOM 1380 CG ARG B 126 -1.984 7.996 5.044 1.00 63.00 C ATOM 1381 CD ARG B 126 -3.033 7.457 6.004 1.00 3.52 C ATOM 1382 NE ARG B 126 -3.013 8.156 7.286 1.00 13.50 N ATOM 1383 CZ ARG B 126 -2.129 7.910 8.251 1.00 33.40 C ATOM 1384 NH1 ARG B 126 -1.193 6.985 8.083 1.00 62.40 N ATOM 1385 NH2 ARG B 126 -2.182 8.592 9.387 1.00 14.20 N ATOM 0 H ARG B 126 -0.022 7.909 3.313 1.00 71.30 H new ATOM 0 HA ARG B 126 -2.178 8.983 1.716 1.00 12.10 H new ATOM 0 HB2 ARG B 126 -3.550 8.338 3.627 1.00 42.50 H new ATOM 0 HB3 ARG B 126 -2.467 7.028 3.198 1.00 42.50 H new ATOM 0 HG2 ARG B 126 -1.091 7.372 5.091 1.00 63.00 H new ATOM 0 HG3 ARG B 126 -1.689 8.999 5.352 1.00 63.00 H new ATOM 0 HD2 ARG B 126 -4.021 7.554 5.553 1.00 3.52 H new ATOM 0 HD3 ARG B 126 -2.861 6.393 6.168 1.00 3.52 H new ATOM 0 HE ARG B 126 -3.717 8.875 7.452 1.00 13.50 H new ATOM 0 HH11 ARG B 126 -1.148 6.458 7.211 1.00 62.40 H new ATOM 0 HH12 ARG B 126 -0.519 6.801 8.826 1.00 62.40 H new ATOM 0 HH21 ARG B 126 -2.900 9.304 9.521 1.00 14.20 H new ATOM 0 HH22 ARG B 126 -1.505 8.404 10.127 1.00 14.20 H new ATOM 1399 N ASN B 127 -0.778 10.740 4.084 1.00 13.40 N ATOM 1400 CA ASN B 127 -0.708 12.067 4.685 1.00 31.20 C ATOM 1401 C ASN B 127 0.647 12.293 5.348 1.00 41.20 C ATOM 1402 O ASN B 127 0.811 11.878 6.514 1.00 61.20 O ATOM 1403 CB ASN B 127 -1.827 12.244 5.713 1.00 63.20 C ATOM 1404 CG ASN B 127 -2.300 13.681 5.811 1.00 1.13 C ATOM 1405 OD1 ASN B 127 -1.633 14.527 6.406 1.00 51.10 O ATOM 1406 ND2 ASN B 127 -3.458 13.964 5.226 1.00 44.50 N ATOM 1407 OXT ASN B 127 1.533 12.883 4.695 1.00 37.50 O ATOM 0 H ASN B 127 -0.015 10.116 4.348 1.00 13.40 H new ATOM 0 HA ASN B 127 -0.832 12.805 3.892 1.00 31.20 H new ATOM 0 HB2 ASN B 127 -2.668 11.605 5.444 1.00 63.20 H new ATOM 0 HB3 ASN B 127 -1.475 11.913 6.690 1.00 63.20 H new ATOM 0 HD21 ASN B 127 -3.827 14.914 5.259 1.00 44.50 H new ATOM 0 HD22 ASN B 127 -3.978 13.231 4.743 1.00 44.50 H new TER 1414 ASN B 127