USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 938 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 70 MET CE :methyl 163:sc= -2.07 (180deg=-0.594) USER MOD Set 1.2: A 72 GLN :FLIP amide:sc= -1.89 F(o=-6.6,f=-4) USER MOD Set 2.1: A 48 GLN :FLIP amide:sc= 0.991 F(o=-3.4,f=0.99) USER MOD Set 2.2: A 99 GLN : amide:sc=-0.00407 K(o=0.99,f=-7.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -20.9! C(o=-21!,f=-30!) USER MOD Single : A 18 HIS : no HD1:sc= -9.82! C(o=-9.8!,f=-11!) USER MOD Single : A 19 GLN : amide:sc= 0.516 K(o=0.52,f=-3.9!) USER MOD Single : A 23 TYR OH : rot 49:sc= -0.42 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.1) USER MOD Single : A 30 THR OG1 : rot 92:sc= 1.24 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 SER OG : rot 180:sc= -0.0121 USER MOD Single : A 47 GLN :FLIP amide:sc= -4.7! C(o=-6.3!,f=-4.7!) USER MOD Single : A 50 GLN :FLIP amide:sc= -0.0953 F(o=-1.3,f=-0.095) USER MOD Single : A 60 SER OG : rot -170:sc= -1.67 USER MOD Single : A 61 HIS : no HE2:sc= -9.95! C(o=-9.9!,f=-9.8!) USER MOD Single : A 64 THR OG1 : rot 140:sc= 0 USER MOD Single : A 65 SER OG : rot -64:sc= 0.447 USER MOD Single : A 66 GLN : amide:sc= -1.42 K(o=-1.4,f=-2) USER MOD Single : A 74 TYR OH : rot 101:sc= 0.399 USER MOD Single : A 79 TYR OH : rot -143:sc= -1.76 USER MOD Single : A 80 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 ASN : amide:sc= -0.028 X(o=-0.028,f=-0.17) USER MOD Single : A 83 ASN :FLIP amide:sc= 0.834 F(o=-0.047,f=0.83) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 GLN : amide:sc= -1.08 K(o=-1.1,f=-2.3!) USER MOD Single : A 91 HIS :FLIP no HD1:sc= -14.7! C(o=-20!,f=-15!) USER MOD Single : A 92 HIS :FLIP no HD1:sc= -2.23 F(o=-3.6!,f=-2.2) USER MOD Single : A 94 MET CE :methyl -117:sc= -7.61! (180deg=-13.9!) USER MOD Single : A 104 LYS NZ :NH3+ 177:sc= -4.55! (180deg=-4.75!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -27.880 13.499 -20.487 1.00 0.00 N ATOM 2 CA GLY A 1 -28.302 14.410 -19.437 1.00 0.00 C ATOM 3 C GLY A 1 -27.668 14.033 -18.096 1.00 0.00 C ATOM 4 O GLY A 1 -28.373 13.763 -17.125 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.324 13.776 -21.386 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.845 13.538 -20.585 1.00 0.00 H new ATOM 0 H3 GLY A 1 -28.169 12.530 -20.243 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.023 15.430 -19.701 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.388 14.390 -19.348 1.00 0.00 H new ATOM 8 N SER A 2 -26.343 14.028 -18.086 1.00 0.00 N ATOM 9 CA SER A 2 -25.606 13.689 -16.881 1.00 0.00 C ATOM 10 C SER A 2 -24.124 14.030 -17.060 1.00 0.00 C ATOM 11 O SER A 2 -23.590 14.880 -16.350 1.00 0.00 O ATOM 12 CB SER A 2 -25.771 12.208 -16.532 1.00 0.00 C ATOM 13 OG SER A 2 -24.987 11.835 -15.403 1.00 0.00 O ATOM 0 H SER A 2 -25.761 14.253 -18.893 1.00 0.00 H new ATOM 0 HA SER A 2 -26.011 14.276 -16.057 1.00 0.00 H new ATOM 0 HB2 SER A 2 -26.821 11.998 -16.329 1.00 0.00 H new ATOM 0 HB3 SER A 2 -25.484 11.599 -17.390 1.00 0.00 H new ATOM 0 HG SER A 2 -25.121 10.883 -15.211 1.00 0.00 H new ATOM 19 N MET A 3 -23.505 13.350 -18.013 1.00 0.00 N ATOM 20 CA MET A 3 -22.096 13.571 -18.295 1.00 0.00 C ATOM 21 C MET A 3 -21.227 13.145 -17.110 1.00 0.00 C ATOM 22 O MET A 3 -21.404 13.635 -15.997 1.00 0.00 O ATOM 23 CB MET A 3 -21.861 15.052 -18.594 1.00 0.00 C ATOM 24 CG MET A 3 -21.579 15.274 -20.081 1.00 0.00 C ATOM 25 SD MET A 3 -22.035 16.934 -20.549 1.00 0.00 S ATOM 26 CE MET A 3 -20.655 17.349 -21.603 1.00 0.00 C ATOM 0 H MET A 3 -23.952 12.646 -18.600 1.00 0.00 H new ATOM 0 HA MET A 3 -21.819 12.969 -19.160 1.00 0.00 H new ATOM 0 HB2 MET A 3 -22.736 15.630 -18.296 1.00 0.00 H new ATOM 0 HB3 MET A 3 -21.021 15.417 -18.003 1.00 0.00 H new ATOM 0 HG2 MET A 3 -20.522 15.107 -20.288 1.00 0.00 H new ATOM 0 HG3 MET A 3 -22.138 14.553 -20.677 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.780 18.362 -21.985 1.00 0.00 H new ATOM 0 HE2 MET A 3 -19.729 17.289 -21.031 1.00 0.00 H new ATOM 0 HE3 MET A 3 -20.612 16.650 -22.438 1.00 0.00 H new ATOM 36 N ALA A 4 -20.305 12.235 -17.391 1.00 0.00 N ATOM 37 CA ALA A 4 -19.407 11.737 -16.362 1.00 0.00 C ATOM 38 C ALA A 4 -18.177 11.114 -17.024 1.00 0.00 C ATOM 39 O ALA A 4 -18.268 10.569 -18.124 1.00 0.00 O ATOM 40 CB ALA A 4 -20.153 10.746 -15.468 1.00 0.00 C ATOM 0 H ALA A 4 -20.161 11.830 -18.316 1.00 0.00 H new ATOM 0 HA ALA A 4 -19.062 12.552 -15.726 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -19.479 10.373 -14.697 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -21.000 11.246 -14.999 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -20.512 9.912 -16.070 1.00 0.00 H new ATOM 46 N GLY A 5 -17.055 11.213 -16.327 1.00 0.00 N ATOM 47 CA GLY A 5 -15.807 10.665 -16.833 1.00 0.00 C ATOM 48 C GLY A 5 -15.238 9.619 -15.873 1.00 0.00 C ATOM 49 O GLY A 5 -14.958 9.923 -14.714 1.00 0.00 O ATOM 0 H GLY A 5 -16.983 11.665 -15.415 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -15.974 10.213 -17.811 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -15.083 11.468 -16.972 1.00 0.00 H new ATOM 53 N GLU A 6 -15.084 8.409 -16.390 1.00 0.00 N ATOM 54 CA GLU A 6 -14.551 7.317 -15.593 1.00 0.00 C ATOM 55 C GLU A 6 -13.058 7.527 -15.336 1.00 0.00 C ATOM 56 O GLU A 6 -12.381 8.207 -16.107 1.00 0.00 O ATOM 57 CB GLU A 6 -14.807 5.969 -16.270 1.00 0.00 C ATOM 58 CG GLU A 6 -14.467 4.810 -15.330 1.00 0.00 C ATOM 59 CD GLU A 6 -15.412 3.628 -15.552 1.00 0.00 C ATOM 60 OE1 GLU A 6 -15.869 3.404 -16.683 1.00 0.00 O ATOM 61 OE2 GLU A 6 -15.668 2.930 -14.499 1.00 0.00 O ATOM 0 H GLU A 6 -15.319 8.161 -17.351 1.00 0.00 H new ATOM 0 HA GLU A 6 -15.067 7.308 -14.633 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.852 5.902 -16.572 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.208 5.894 -17.177 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.437 4.493 -15.496 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.535 5.145 -14.295 1.00 0.00 H new ATOM 69 N ASP A 7 -12.587 6.930 -14.251 1.00 0.00 N ATOM 70 CA ASP A 7 -11.185 7.042 -13.884 1.00 0.00 C ATOM 71 C ASP A 7 -10.857 5.994 -12.819 1.00 0.00 C ATOM 72 O ASP A 7 -11.714 5.629 -12.015 1.00 0.00 O ATOM 73 CB ASP A 7 -10.878 8.422 -13.300 1.00 0.00 C ATOM 74 CG ASP A 7 -12.078 9.147 -12.688 1.00 0.00 C ATOM 75 OD1 ASP A 7 -12.612 8.734 -11.647 1.00 0.00 O ATOM 76 OD2 ASP A 7 -12.470 10.193 -13.333 1.00 0.00 O ATOM 0 H ASP A 7 -13.151 6.367 -13.614 1.00 0.00 H new ATOM 0 HA ASP A 7 -10.587 6.890 -14.782 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -10.109 8.313 -12.535 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -10.458 9.048 -14.087 1.00 0.00 H new ATOM 82 N VAL A 8 -9.613 5.538 -12.848 1.00 0.00 N ATOM 83 CA VAL A 8 -9.159 4.538 -11.895 1.00 0.00 C ATOM 84 C VAL A 8 -9.238 5.116 -10.480 1.00 0.00 C ATOM 85 O VAL A 8 -9.433 6.318 -10.307 1.00 0.00 O ATOM 86 CB VAL A 8 -7.755 4.059 -12.268 1.00 0.00 C ATOM 87 CG1 VAL A 8 -7.324 2.886 -11.385 1.00 0.00 C ATOM 88 CG2 VAL A 8 -7.679 3.687 -13.750 1.00 0.00 C ATOM 0 H VAL A 8 -8.905 5.842 -13.516 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.805 3.661 -11.924 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.062 4.882 -12.093 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.322 2.564 -11.671 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.321 3.199 -10.341 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -8.021 2.058 -11.514 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.670 3.350 -13.989 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.389 2.887 -13.961 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.924 4.559 -14.357 1.00 0.00 H new ATOM 98 N GLY A 9 -9.083 4.233 -9.506 1.00 0.00 N ATOM 99 CA GLY A 9 -9.133 4.639 -8.112 1.00 0.00 C ATOM 100 C GLY A 9 -7.746 5.042 -7.608 1.00 0.00 C ATOM 101 O GLY A 9 -7.525 6.196 -7.244 1.00 0.00 O ATOM 0 H GLY A 9 -8.923 3.237 -9.654 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.823 5.475 -7.998 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -9.521 3.821 -7.505 1.00 0.00 H new ATOM 105 N ALA A 10 -6.849 4.067 -7.602 1.00 0.00 N ATOM 106 CA ALA A 10 -5.489 4.305 -7.150 1.00 0.00 C ATOM 107 C ALA A 10 -4.573 3.213 -7.705 1.00 0.00 C ATOM 108 O ALA A 10 -4.961 2.049 -7.776 1.00 0.00 O ATOM 109 CB ALA A 10 -5.462 4.368 -5.622 1.00 0.00 C ATOM 0 H ALA A 10 -7.037 3.111 -7.903 1.00 0.00 H new ATOM 0 HA ALA A 10 -5.123 5.262 -7.522 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -4.441 4.547 -5.283 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -6.105 5.179 -5.280 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.820 3.423 -5.213 1.00 0.00 H new ATOM 115 N PRO A 11 -3.340 3.639 -8.093 1.00 0.00 N ATOM 116 CA PRO A 11 -2.366 2.710 -8.640 1.00 0.00 C ATOM 117 C PRO A 11 -1.756 1.842 -7.538 1.00 0.00 C ATOM 118 O PRO A 11 -2.015 2.062 -6.355 1.00 0.00 O ATOM 119 CB PRO A 11 -1.341 3.585 -9.343 1.00 0.00 C ATOM 120 CG PRO A 11 -1.522 4.981 -8.772 1.00 0.00 C ATOM 121 CD PRO A 11 -2.845 5.010 -8.023 1.00 0.00 C ATOM 0 HA PRO A 11 -2.809 1.998 -9.337 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.329 3.219 -9.167 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.498 3.581 -10.422 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.699 5.229 -8.102 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.519 5.723 -9.570 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.708 5.329 -6.990 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.545 5.708 -8.482 1.00 0.00 H new ATOM 129 N PRO A 12 -0.937 0.848 -7.976 1.00 0.00 N ATOM 130 CA PRO A 12 -0.289 -0.053 -7.039 1.00 0.00 C ATOM 131 C PRO A 12 0.875 0.639 -6.327 1.00 0.00 C ATOM 132 O PRO A 12 1.982 0.705 -6.858 1.00 0.00 O ATOM 133 CB PRO A 12 0.152 -1.242 -7.878 1.00 0.00 C ATOM 134 CG PRO A 12 0.150 -0.758 -9.319 1.00 0.00 C ATOM 135 CD PRO A 12 -0.608 0.559 -9.368 1.00 0.00 C ATOM 0 HA PRO A 12 -0.953 -0.372 -6.236 1.00 0.00 H new ATOM 0 HB2 PRO A 12 1.144 -1.583 -7.582 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.527 -2.085 -7.748 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.170 -0.625 -9.678 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.323 -1.495 -9.968 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.001 1.351 -9.804 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.507 0.476 -9.979 1.00 0.00 H new ATOM 143 N ASP A 13 0.584 1.139 -5.135 1.00 0.00 N ATOM 144 CA ASP A 13 1.593 1.823 -4.344 1.00 0.00 C ATOM 145 C ASP A 13 2.900 1.031 -4.397 1.00 0.00 C ATOM 146 O ASP A 13 3.981 1.600 -4.253 1.00 0.00 O ATOM 147 CB ASP A 13 1.164 1.932 -2.880 1.00 0.00 C ATOM 148 CG ASP A 13 2.092 2.768 -1.994 1.00 0.00 C ATOM 149 OD1 ASP A 13 2.608 2.284 -0.976 1.00 0.00 O ATOM 150 OD2 ASP A 13 2.278 3.980 -2.393 1.00 0.00 O ATOM 0 H ASP A 13 -0.336 1.084 -4.698 1.00 0.00 H new ATOM 0 HA ASP A 13 1.724 2.823 -4.756 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.164 2.363 -2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 13 1.094 0.928 -2.462 1.00 0.00 H new ATOM 156 N HIS A 14 2.759 -0.270 -4.603 1.00 0.00 N ATOM 157 CA HIS A 14 3.916 -1.146 -4.677 1.00 0.00 C ATOM 158 C HIS A 14 3.568 -2.387 -5.501 1.00 0.00 C ATOM 159 O HIS A 14 2.422 -2.835 -5.502 1.00 0.00 O ATOM 160 CB HIS A 14 4.428 -1.488 -3.276 1.00 0.00 C ATOM 161 CG HIS A 14 3.834 -2.749 -2.697 1.00 0.00 C ATOM 162 ND1 HIS A 14 3.293 -2.808 -1.425 1.00 0.00 N ATOM 163 CD2 HIS A 14 3.702 -3.999 -3.229 1.00 0.00 C ATOM 164 CE1 HIS A 14 2.858 -4.041 -1.211 1.00 0.00 C ATOM 165 NE2 HIS A 14 3.113 -4.777 -2.329 1.00 0.00 N ATOM 0 H HIS A 14 1.861 -0.739 -4.721 1.00 0.00 H new ATOM 0 HA HIS A 14 4.733 -0.634 -5.184 1.00 0.00 H new ATOM 0 HB2 HIS A 14 5.512 -1.592 -3.312 1.00 0.00 H new ATOM 0 HB3 HIS A 14 4.210 -0.655 -2.607 1.00 0.00 H new ATOM 0 HD2 HIS A 14 4.022 -4.303 -4.214 1.00 0.00 H new ATOM 0 HE1 HIS A 14 2.385 -4.400 -0.309 1.00 0.00 H new ATOM 0 HE2 HIS A 14 2.888 -5.764 -2.454 1.00 0.00 H new ATOM 173 N LEU A 15 4.578 -2.909 -6.182 1.00 0.00 N ATOM 174 CA LEU A 15 4.393 -4.090 -7.007 1.00 0.00 C ATOM 175 C LEU A 15 5.446 -5.137 -6.635 1.00 0.00 C ATOM 176 O LEU A 15 6.566 -4.791 -6.266 1.00 0.00 O ATOM 177 CB LEU A 15 4.398 -3.713 -8.490 1.00 0.00 C ATOM 178 CG LEU A 15 3.172 -2.949 -8.992 1.00 0.00 C ATOM 179 CD1 LEU A 15 3.436 -2.330 -10.366 1.00 0.00 C ATOM 180 CD2 LEU A 15 1.932 -3.846 -8.997 1.00 0.00 C ATOM 0 H LEU A 15 5.527 -2.535 -6.179 1.00 0.00 H new ATOM 0 HA LEU A 15 3.417 -4.538 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.284 -3.109 -8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 15 4.497 -4.626 -9.076 1.00 0.00 H new ATOM 0 HG LEU A 15 2.974 -2.129 -8.302 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.548 -1.793 -10.700 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.275 -1.638 -10.298 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.673 -3.118 -11.081 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.074 -3.279 -9.358 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.104 -4.700 -9.652 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.734 -4.199 -7.985 1.00 0.00 H new ATOM 192 N TRP A 16 5.047 -6.395 -6.746 1.00 0.00 N ATOM 193 CA TRP A 16 5.941 -7.495 -6.425 1.00 0.00 C ATOM 194 C TRP A 16 5.899 -8.491 -7.584 1.00 0.00 C ATOM 195 O TRP A 16 4.887 -9.156 -7.802 1.00 0.00 O ATOM 196 CB TRP A 16 5.573 -8.125 -5.081 1.00 0.00 C ATOM 197 CG TRP A 16 5.888 -7.243 -3.872 1.00 0.00 C ATOM 198 CD1 TRP A 16 6.973 -6.484 -3.664 1.00 0.00 C ATOM 199 CD2 TRP A 16 5.061 -7.057 -2.704 1.00 0.00 C ATOM 200 NE1 TRP A 16 6.906 -5.825 -2.454 1.00 0.00 N ATOM 201 CE2 TRP A 16 5.705 -6.185 -1.851 1.00 0.00 C ATOM 202 CE3 TRP A 16 3.808 -7.606 -2.380 1.00 0.00 C ATOM 203 CZ2 TRP A 16 5.176 -5.785 -0.618 1.00 0.00 C ATOM 204 CZ3 TRP A 16 3.292 -7.198 -1.144 1.00 0.00 C ATOM 205 CH2 TRP A 16 3.929 -6.321 -0.273 1.00 0.00 C ATOM 0 H TRP A 16 4.116 -6.678 -7.054 1.00 0.00 H new ATOM 0 HA TRP A 16 6.965 -7.140 -6.309 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.508 -8.358 -5.080 1.00 0.00 H new ATOM 0 HB3 TRP A 16 6.106 -9.070 -4.977 1.00 0.00 H new ATOM 0 HD1 TRP A 16 7.797 -6.399 -4.357 1.00 0.00 H new ATOM 0 HE1 TRP A 16 7.608 -5.191 -2.072 1.00 0.00 H new ATOM 0 HE3 TRP A 16 3.285 -8.289 -3.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.701 -5.100 0.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 2.332 -7.592 -0.846 1.00 0.00 H new ATOM 0 HH2 TRP A 16 3.464 -6.055 0.665 1.00 0.00 H new ATOM 216 N VAL A 17 7.013 -8.565 -8.300 1.00 0.00 N ATOM 217 CA VAL A 17 7.116 -9.469 -9.433 1.00 0.00 C ATOM 218 C VAL A 17 7.181 -10.910 -8.925 1.00 0.00 C ATOM 219 O VAL A 17 8.089 -11.269 -8.177 1.00 0.00 O ATOM 220 CB VAL A 17 8.317 -9.086 -10.300 1.00 0.00 C ATOM 221 CG1 VAL A 17 9.631 -9.493 -9.627 1.00 0.00 C ATOM 222 CG2 VAL A 17 8.203 -9.700 -11.696 1.00 0.00 C ATOM 0 H VAL A 17 7.851 -8.014 -8.117 1.00 0.00 H new ATOM 0 HA VAL A 17 6.234 -9.388 -10.068 1.00 0.00 H new ATOM 0 HB VAL A 17 8.319 -8.002 -10.410 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.469 -9.210 -10.264 1.00 0.00 H new ATOM 0 HG12 VAL A 17 9.719 -8.988 -8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.642 -10.572 -9.472 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.069 -9.412 -12.292 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.164 -10.786 -11.614 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.295 -9.340 -12.179 1.00 0.00 H new ATOM 232 N HIS A 18 6.204 -11.698 -9.352 1.00 0.00 N ATOM 233 CA HIS A 18 6.138 -13.093 -8.950 1.00 0.00 C ATOM 234 C HIS A 18 6.330 -13.990 -10.174 1.00 0.00 C ATOM 235 O HIS A 18 6.900 -15.075 -10.071 1.00 0.00 O ATOM 236 CB HIS A 18 4.835 -13.382 -8.201 1.00 0.00 C ATOM 237 CG HIS A 18 4.538 -14.852 -8.030 1.00 0.00 C ATOM 238 ND1 HIS A 18 4.216 -15.415 -6.807 1.00 0.00 N ATOM 239 CD2 HIS A 18 4.518 -15.869 -8.939 1.00 0.00 C ATOM 240 CE1 HIS A 18 4.013 -16.712 -6.984 1.00 0.00 C ATOM 241 NE2 HIS A 18 4.201 -16.992 -8.306 1.00 0.00 N ATOM 0 H HIS A 18 5.452 -11.397 -9.972 1.00 0.00 H new ATOM 0 HA HIS A 18 6.946 -13.312 -8.252 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.882 -12.915 -7.217 1.00 0.00 H new ATOM 0 HB3 HIS A 18 4.009 -12.915 -8.737 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.725 -15.776 -9.995 1.00 0.00 H new ATOM 0 HE1 HIS A 18 3.746 -17.423 -6.216 1.00 0.00 H new ATOM 0 HE2 HIS A 18 4.113 -17.912 -8.737 1.00 0.00 H new ATOM 249 N GLN A 19 5.843 -13.504 -11.306 1.00 0.00 N ATOM 250 CA GLN A 19 5.953 -14.248 -12.549 1.00 0.00 C ATOM 251 C GLN A 19 6.483 -13.344 -13.665 1.00 0.00 C ATOM 252 O GLN A 19 6.362 -12.122 -13.587 1.00 0.00 O ATOM 253 CB GLN A 19 4.609 -14.868 -12.938 1.00 0.00 C ATOM 254 CG GLN A 19 4.458 -16.269 -12.342 1.00 0.00 C ATOM 255 CD GLN A 19 4.256 -17.313 -13.441 1.00 0.00 C ATOM 256 OE1 GLN A 19 3.155 -17.760 -13.714 1.00 0.00 O ATOM 257 NE2 GLN A 19 5.380 -17.676 -14.055 1.00 0.00 N ATOM 0 H GLN A 19 5.371 -12.604 -11.388 1.00 0.00 H new ATOM 0 HA GLN A 19 6.662 -15.062 -12.400 1.00 0.00 H new ATOM 0 HB2 GLN A 19 3.796 -14.231 -12.589 1.00 0.00 H new ATOM 0 HB3 GLN A 19 4.529 -14.920 -14.024 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.344 -16.517 -11.758 1.00 0.00 H new ATOM 0 HG3 GLN A 19 3.610 -16.287 -11.658 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.270 -17.262 -13.777 1.00 0.00 H new ATOM 0 HE22 GLN A 19 5.352 -18.368 -14.804 1.00 0.00 H new ATOM 266 N GLU A 20 7.058 -13.979 -14.675 1.00 0.00 N ATOM 267 CA GLU A 20 7.607 -13.247 -15.804 1.00 0.00 C ATOM 268 C GLU A 20 6.556 -12.296 -16.382 1.00 0.00 C ATOM 269 O GLU A 20 5.560 -12.739 -16.951 1.00 0.00 O ATOM 270 CB GLU A 20 8.129 -14.206 -16.876 1.00 0.00 C ATOM 271 CG GLU A 20 8.581 -13.440 -18.121 1.00 0.00 C ATOM 272 CD GLU A 20 7.976 -14.049 -19.388 1.00 0.00 C ATOM 273 OE1 GLU A 20 8.714 -14.555 -20.246 1.00 0.00 O ATOM 274 OE2 GLU A 20 6.690 -13.984 -19.464 1.00 0.00 O ATOM 0 H GLU A 20 7.156 -14.992 -14.735 1.00 0.00 H new ATOM 0 HA GLU A 20 8.451 -12.653 -15.453 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.963 -14.784 -16.477 1.00 0.00 H new ATOM 0 HB3 GLU A 20 7.348 -14.917 -17.145 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.283 -12.395 -18.037 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.669 -13.457 -18.188 1.00 0.00 H new ATOM 282 N GLY A 21 6.816 -11.008 -16.215 1.00 0.00 N ATOM 283 CA GLY A 21 5.905 -9.992 -16.713 1.00 0.00 C ATOM 284 C GLY A 21 4.645 -9.912 -15.849 1.00 0.00 C ATOM 285 O GLY A 21 3.573 -9.563 -16.340 1.00 0.00 O ATOM 0 H GLY A 21 7.644 -10.645 -15.742 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.405 -9.024 -16.723 1.00 0.00 H new ATOM 0 HA3 GLY A 21 5.630 -10.219 -17.743 1.00 0.00 H new ATOM 289 N ILE A 22 4.816 -10.244 -14.578 1.00 0.00 N ATOM 290 CA ILE A 22 3.706 -10.215 -13.641 1.00 0.00 C ATOM 291 C ILE A 22 4.152 -9.528 -12.349 1.00 0.00 C ATOM 292 O ILE A 22 5.331 -9.559 -12.000 1.00 0.00 O ATOM 293 CB ILE A 22 3.147 -11.623 -13.428 1.00 0.00 C ATOM 294 CG1 ILE A 22 2.246 -12.038 -14.591 1.00 0.00 C ATOM 295 CG2 ILE A 22 2.431 -11.731 -12.080 1.00 0.00 C ATOM 296 CD1 ILE A 22 3.054 -12.719 -15.697 1.00 0.00 C ATOM 0 H ILE A 22 5.707 -10.535 -14.175 1.00 0.00 H new ATOM 0 HA ILE A 22 2.882 -9.628 -14.046 1.00 0.00 H new ATOM 0 HB ILE A 22 3.983 -12.322 -13.405 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.472 -12.716 -14.232 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.739 -11.161 -14.994 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.043 -12.742 -11.954 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.133 -11.509 -11.276 1.00 0.00 H new ATOM 0 HG23 ILE A 22 1.606 -11.019 -12.048 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.388 -13.004 -16.512 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.811 -12.030 -16.071 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.539 -13.609 -15.297 1.00 0.00 H new ATOM 308 N TYR A 23 3.186 -8.923 -11.674 1.00 0.00 N ATOM 309 CA TYR A 23 3.464 -8.230 -10.427 1.00 0.00 C ATOM 310 C TYR A 23 2.259 -8.288 -9.486 1.00 0.00 C ATOM 311 O TYR A 23 1.117 -8.345 -9.938 1.00 0.00 O ATOM 312 CB TYR A 23 3.730 -6.772 -10.806 1.00 0.00 C ATOM 313 CG TYR A 23 5.193 -6.473 -11.139 1.00 0.00 C ATOM 314 CD1 TYR A 23 6.080 -6.158 -10.130 1.00 0.00 C ATOM 315 CD2 TYR A 23 5.625 -6.518 -12.449 1.00 0.00 C ATOM 316 CE1 TYR A 23 7.457 -5.876 -10.444 1.00 0.00 C ATOM 317 CE2 TYR A 23 7.002 -6.236 -12.763 1.00 0.00 C ATOM 318 CZ TYR A 23 7.850 -5.928 -11.745 1.00 0.00 C ATOM 319 OH TYR A 23 9.150 -5.662 -12.042 1.00 0.00 O ATOM 0 H TYR A 23 2.209 -8.898 -11.967 1.00 0.00 H new ATOM 0 HA TYR A 23 4.308 -8.690 -9.913 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.112 -6.512 -11.665 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.417 -6.130 -9.982 1.00 0.00 H new ATOM 0 HD1 TYR A 23 5.742 -6.123 -9.105 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.931 -6.765 -13.239 1.00 0.00 H new ATOM 0 HE1 TYR A 23 8.162 -5.629 -9.664 1.00 0.00 H new ATOM 0 HE2 TYR A 23 7.353 -6.268 -13.784 1.00 0.00 H new ATOM 0 HH TYR A 23 9.734 -6.180 -11.449 1.00 0.00 H new ATOM 329 N ARG A 24 2.556 -8.273 -8.195 1.00 0.00 N ATOM 330 CA ARG A 24 1.511 -8.324 -7.186 1.00 0.00 C ATOM 331 C ARG A 24 1.321 -6.945 -6.550 1.00 0.00 C ATOM 332 O ARG A 24 2.292 -6.292 -6.173 1.00 0.00 O ATOM 333 CB ARG A 24 1.849 -9.339 -6.094 1.00 0.00 C ATOM 334 CG ARG A 24 0.682 -10.301 -5.858 1.00 0.00 C ATOM 335 CD ARG A 24 1.183 -11.732 -5.655 1.00 0.00 C ATOM 336 NE ARG A 24 2.149 -11.777 -4.535 1.00 0.00 N ATOM 337 CZ ARG A 24 2.442 -12.892 -3.832 1.00 0.00 C ATOM 338 NH1 ARG A 24 1.844 -14.065 -4.128 1.00 0.00 N ATOM 339 NH2 ARG A 24 3.322 -12.817 -2.851 1.00 0.00 N ATOM 0 H ARG A 24 3.505 -8.226 -7.824 1.00 0.00 H new ATOM 0 HA ARG A 24 0.589 -8.632 -7.679 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.737 -9.903 -6.379 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.087 -8.816 -5.168 1.00 0.00 H new ATOM 0 HG2 ARG A 24 0.115 -9.983 -4.983 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.001 -10.268 -6.708 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.342 -12.394 -5.448 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.656 -12.093 -6.568 1.00 0.00 H new ATOM 0 HE ARG A 24 2.623 -10.911 -4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.165 -14.114 -4.888 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.071 -14.903 -3.592 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.769 -11.926 -2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.555 -13.650 -2.310 1.00 0.00 H new ATOM 352 N ASP A 25 0.062 -6.544 -6.450 1.00 0.00 N ATOM 353 CA ASP A 25 -0.269 -5.255 -5.866 1.00 0.00 C ATOM 354 C ASP A 25 -0.235 -5.368 -4.341 1.00 0.00 C ATOM 355 O ASP A 25 0.024 -6.441 -3.799 1.00 0.00 O ATOM 356 CB ASP A 25 -1.674 -4.808 -6.276 1.00 0.00 C ATOM 357 CG ASP A 25 -1.907 -3.297 -6.241 1.00 0.00 C ATOM 358 OD1 ASP A 25 -1.154 -2.549 -5.601 1.00 0.00 O ATOM 359 OD2 ASP A 25 -2.927 -2.888 -6.917 1.00 0.00 O ATOM 0 H ASP A 25 -0.741 -7.089 -6.764 1.00 0.00 H new ATOM 0 HA ASP A 25 0.459 -4.526 -6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.873 -5.168 -7.285 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -2.398 -5.288 -5.618 1.00 0.00 H new ATOM 365 N GLU A 26 -0.501 -4.244 -3.690 1.00 0.00 N ATOM 366 CA GLU A 26 -0.504 -4.203 -2.238 1.00 0.00 C ATOM 367 C GLU A 26 -1.917 -4.450 -1.703 1.00 0.00 C ATOM 368 O GLU A 26 -2.244 -4.042 -0.590 1.00 0.00 O ATOM 369 CB GLU A 26 0.050 -2.873 -1.725 1.00 0.00 C ATOM 370 CG GLU A 26 0.010 -2.814 -0.198 1.00 0.00 C ATOM 371 CD GLU A 26 1.184 -2.002 0.352 1.00 0.00 C ATOM 372 OE1 GLU A 26 1.554 -0.973 -0.233 1.00 0.00 O ATOM 373 OE2 GLU A 26 1.718 -2.474 1.427 1.00 0.00 O ATOM 0 H GLU A 26 -0.716 -3.355 -4.142 1.00 0.00 H new ATOM 0 HA GLU A 26 0.147 -4.996 -1.871 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.076 -2.745 -2.070 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.531 -2.049 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.929 -2.367 0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.040 -3.825 0.209 1.00 0.00 H new ATOM 381 N TYR A 27 -2.716 -5.118 -2.521 1.00 0.00 N ATOM 382 CA TYR A 27 -4.086 -5.424 -2.146 1.00 0.00 C ATOM 383 C TYR A 27 -4.559 -6.720 -2.807 1.00 0.00 C ATOM 384 O TYR A 27 -5.746 -6.878 -3.094 1.00 0.00 O ATOM 385 CB TYR A 27 -4.935 -4.262 -2.663 1.00 0.00 C ATOM 386 CG TYR A 27 -5.074 -3.103 -1.673 1.00 0.00 C ATOM 387 CD1 TYR A 27 -5.967 -3.193 -0.625 1.00 0.00 C ATOM 388 CD2 TYR A 27 -4.304 -1.967 -1.829 1.00 0.00 C ATOM 389 CE1 TYR A 27 -6.096 -2.103 0.306 1.00 0.00 C ATOM 390 CE2 TYR A 27 -4.434 -0.877 -0.898 1.00 0.00 C ATOM 391 CZ TYR A 27 -5.324 -0.998 0.124 1.00 0.00 C ATOM 392 OH TYR A 27 -5.446 0.031 1.003 1.00 0.00 O ATOM 0 H TYR A 27 -2.441 -5.456 -3.443 1.00 0.00 H new ATOM 0 HA TYR A 27 -4.168 -5.553 -1.067 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -4.494 -3.886 -3.587 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -5.929 -4.634 -2.912 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.569 -4.081 -0.503 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -3.605 -1.897 -2.649 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -6.791 -2.161 1.131 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -3.838 0.017 -1.008 1.00 0.00 H new ATOM 0 HH TYR A 27 -4.833 0.752 0.750 1.00 0.00 H new ATOM 402 N GLN A 28 -3.609 -7.616 -3.029 1.00 0.00 N ATOM 403 CA GLN A 28 -3.913 -8.892 -3.651 1.00 0.00 C ATOM 404 C GLN A 28 -4.379 -8.683 -5.094 1.00 0.00 C ATOM 405 O GLN A 28 -5.330 -9.321 -5.542 1.00 0.00 O ATOM 406 CB GLN A 28 -4.962 -9.659 -2.843 1.00 0.00 C ATOM 407 CG GLN A 28 -4.304 -10.499 -1.746 1.00 0.00 C ATOM 408 CD GLN A 28 -5.049 -10.348 -0.419 1.00 0.00 C ATOM 409 OE1 GLN A 28 -6.215 -9.993 -0.368 1.00 0.00 O ATOM 410 NE2 GLN A 28 -4.312 -10.635 0.650 1.00 0.00 N ATOM 0 H GLN A 28 -2.627 -7.483 -2.789 1.00 0.00 H new ATOM 0 HA GLN A 28 -3.003 -9.492 -3.667 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -5.666 -8.957 -2.396 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -5.535 -10.306 -3.507 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.293 -11.548 -2.043 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -3.266 -10.192 -1.621 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.341 -10.927 0.537 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.718 -10.564 1.583 1.00 0.00 H new ATOM 419 N ARG A 29 -3.685 -7.787 -5.781 1.00 0.00 N ATOM 420 CA ARG A 29 -4.014 -7.485 -7.164 1.00 0.00 C ATOM 421 C ARG A 29 -2.841 -7.841 -8.079 1.00 0.00 C ATOM 422 O ARG A 29 -1.772 -7.239 -7.985 1.00 0.00 O ATOM 423 CB ARG A 29 -4.359 -6.004 -7.337 1.00 0.00 C ATOM 424 CG ARG A 29 -5.801 -5.830 -7.819 1.00 0.00 C ATOM 425 CD ARG A 29 -6.615 -5.002 -6.823 1.00 0.00 C ATOM 426 NE ARG A 29 -7.807 -4.434 -7.492 1.00 0.00 N ATOM 427 CZ ARG A 29 -8.816 -3.816 -6.842 1.00 0.00 C ATOM 428 NH1 ARG A 29 -8.785 -3.678 -5.500 1.00 0.00 N ATOM 429 NH2 ARG A 29 -9.833 -3.346 -7.541 1.00 0.00 N ATOM 0 H ARG A 29 -2.896 -7.260 -5.406 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.884 -8.082 -7.436 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.223 -5.482 -6.390 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.675 -5.549 -8.053 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.806 -5.342 -8.793 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -6.265 -6.808 -7.950 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.922 -5.626 -5.984 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.000 -4.200 -6.416 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.870 -4.515 -8.507 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.995 -4.042 -4.968 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.552 -3.210 -5.018 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.847 -3.453 -8.555 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.604 -2.876 -7.067 1.00 0.00 H new ATOM 442 N THR A 30 -3.079 -8.816 -8.943 1.00 0.00 N ATOM 443 CA THR A 30 -2.056 -9.256 -9.875 1.00 0.00 C ATOM 444 C THR A 30 -1.920 -8.261 -11.028 1.00 0.00 C ATOM 445 O THR A 30 -2.906 -7.662 -11.455 1.00 0.00 O ATOM 446 CB THR A 30 -2.412 -10.673 -10.332 1.00 0.00 C ATOM 447 OG1 THR A 30 -3.804 -10.602 -10.631 1.00 0.00 O ATOM 448 CG2 THR A 30 -2.325 -11.694 -9.197 1.00 0.00 C ATOM 0 H THR A 30 -3.966 -9.314 -9.017 1.00 0.00 H new ATOM 0 HA THR A 30 -1.075 -9.288 -9.400 1.00 0.00 H new ATOM 0 HB THR A 30 -1.744 -10.972 -11.140 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.924 -10.378 -11.578 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.587 -12.682 -9.575 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.309 -11.714 -8.803 1.00 0.00 H new ATOM 0 HG23 THR A 30 -3.017 -11.414 -8.402 1.00 0.00 H new ATOM 456 N TRP A 31 -0.691 -8.116 -11.501 1.00 0.00 N ATOM 457 CA TRP A 31 -0.414 -7.203 -12.597 1.00 0.00 C ATOM 458 C TRP A 31 0.380 -7.966 -13.659 1.00 0.00 C ATOM 459 O TRP A 31 0.996 -8.989 -13.363 1.00 0.00 O ATOM 460 CB TRP A 31 0.307 -5.949 -12.097 1.00 0.00 C ATOM 461 CG TRP A 31 -0.586 -4.991 -11.308 1.00 0.00 C ATOM 462 CD1 TRP A 31 -1.004 -5.108 -10.040 1.00 0.00 C ATOM 463 CD2 TRP A 31 -1.157 -3.755 -11.787 1.00 0.00 C ATOM 464 NE1 TRP A 31 -1.800 -4.043 -9.670 1.00 0.00 N ATOM 465 CE2 TRP A 31 -1.896 -3.194 -10.765 1.00 0.00 C ATOM 466 CE3 TRP A 31 -1.052 -3.131 -13.044 1.00 0.00 C ATOM 467 CZ2 TRP A 31 -2.587 -1.984 -10.895 1.00 0.00 C ATOM 468 CZ3 TRP A 31 -1.749 -1.923 -13.156 1.00 0.00 C ATOM 469 CH2 TRP A 31 -2.498 -1.346 -12.137 1.00 0.00 C ATOM 0 H TRP A 31 0.124 -8.615 -11.145 1.00 0.00 H new ATOM 0 HA TRP A 31 -1.341 -6.846 -13.046 1.00 0.00 H new ATOM 0 HB2 TRP A 31 1.144 -6.250 -11.468 1.00 0.00 H new ATOM 0 HB3 TRP A 31 0.726 -5.418 -12.952 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -0.750 -5.932 -9.390 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -2.238 -3.905 -8.759 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.479 -3.551 -13.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -3.159 -1.565 -10.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.702 -1.402 -14.101 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -3.009 -0.409 -12.303 1.00 0.00 H new ATOM 480 N VAL A 32 0.341 -7.439 -14.874 1.00 0.00 N ATOM 481 CA VAL A 32 1.049 -8.058 -15.981 1.00 0.00 C ATOM 482 C VAL A 32 1.957 -7.021 -16.645 1.00 0.00 C ATOM 483 O VAL A 32 1.489 -6.187 -17.420 1.00 0.00 O ATOM 484 CB VAL A 32 0.051 -8.689 -16.954 1.00 0.00 C ATOM 485 CG1 VAL A 32 0.580 -8.643 -18.389 1.00 0.00 C ATOM 486 CG2 VAL A 32 -0.287 -10.122 -16.540 1.00 0.00 C ATOM 0 H VAL A 32 -0.170 -6.590 -15.116 1.00 0.00 H new ATOM 0 HA VAL A 32 1.687 -8.866 -15.622 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.868 -8.104 -16.917 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.149 -9.098 -19.060 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.746 -7.606 -18.682 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.520 -9.192 -18.448 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.998 -10.547 -17.248 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.622 -10.723 -16.534 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.726 -10.119 -15.542 1.00 0.00 H new ATOM 496 N ALA A 33 3.237 -7.104 -16.316 1.00 0.00 N ATOM 497 CA ALA A 33 4.215 -6.183 -16.872 1.00 0.00 C ATOM 498 C ALA A 33 4.740 -6.742 -18.196 1.00 0.00 C ATOM 499 O ALA A 33 5.312 -7.830 -18.231 1.00 0.00 O ATOM 500 CB ALA A 33 5.331 -5.947 -15.854 1.00 0.00 C ATOM 0 H ALA A 33 3.621 -7.795 -15.671 1.00 0.00 H new ATOM 0 HA ALA A 33 3.757 -5.216 -17.081 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.064 -5.257 -16.271 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.909 -5.522 -14.943 1.00 0.00 H new ATOM 0 HB3 ALA A 33 5.817 -6.894 -15.621 1.00 0.00 H new ATOM 506 N VAL A 34 4.529 -5.970 -19.252 1.00 0.00 N ATOM 507 CA VAL A 34 4.975 -6.375 -20.575 1.00 0.00 C ATOM 508 C VAL A 34 6.116 -5.461 -21.026 1.00 0.00 C ATOM 509 O VAL A 34 5.877 -4.347 -21.489 1.00 0.00 O ATOM 510 CB VAL A 34 3.792 -6.380 -21.547 1.00 0.00 C ATOM 511 CG1 VAL A 34 4.251 -6.721 -22.966 1.00 0.00 C ATOM 512 CG2 VAL A 34 2.701 -7.343 -21.076 1.00 0.00 C ATOM 0 H VAL A 34 4.056 -5.067 -19.219 1.00 0.00 H new ATOM 0 HA VAL A 34 5.364 -7.393 -20.552 1.00 0.00 H new ATOM 0 HB VAL A 34 3.367 -5.376 -21.565 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.392 -6.718 -23.637 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.976 -5.980 -23.302 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.712 -7.709 -22.972 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.872 -7.328 -21.784 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.108 -8.352 -21.015 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.344 -7.036 -20.093 1.00 0.00 H new ATOM 522 N VAL A 35 7.331 -5.966 -20.875 1.00 0.00 N ATOM 523 CA VAL A 35 8.510 -5.210 -21.262 1.00 0.00 C ATOM 524 C VAL A 35 8.466 -4.939 -22.767 1.00 0.00 C ATOM 525 O VAL A 35 8.422 -5.871 -23.568 1.00 0.00 O ATOM 526 CB VAL A 35 9.774 -5.951 -20.825 1.00 0.00 C ATOM 527 CG1 VAL A 35 9.763 -7.396 -21.326 1.00 0.00 C ATOM 528 CG2 VAL A 35 11.031 -5.216 -21.296 1.00 0.00 C ATOM 0 H VAL A 35 7.525 -6.890 -20.490 1.00 0.00 H new ATOM 0 HA VAL A 35 8.526 -4.244 -20.758 1.00 0.00 H new ATOM 0 HB VAL A 35 9.789 -5.975 -19.735 1.00 0.00 H new ATOM 0 HG11 VAL A 35 10.673 -7.901 -21.001 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.895 -7.915 -20.919 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.713 -7.403 -22.415 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.916 -5.764 -20.972 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.026 -5.146 -22.384 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.048 -4.214 -20.868 1.00 0.00 H new ATOM 538 N GLU A 36 8.479 -3.659 -23.107 1.00 0.00 N ATOM 539 CA GLU A 36 8.440 -3.253 -24.501 1.00 0.00 C ATOM 540 C GLU A 36 9.276 -1.989 -24.710 1.00 0.00 C ATOM 541 O GLU A 36 8.796 -0.879 -24.486 1.00 0.00 O ATOM 542 CB GLU A 36 7.000 -3.042 -24.971 1.00 0.00 C ATOM 543 CG GLU A 36 6.545 -4.188 -25.876 1.00 0.00 C ATOM 544 CD GLU A 36 7.365 -4.228 -27.166 1.00 0.00 C ATOM 545 OE1 GLU A 36 7.745 -3.172 -27.692 1.00 0.00 O ATOM 546 OE2 GLU A 36 7.608 -5.411 -27.622 1.00 0.00 O ATOM 0 H GLU A 36 8.516 -2.888 -22.440 1.00 0.00 H new ATOM 0 HA GLU A 36 8.870 -4.053 -25.104 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.339 -2.971 -24.107 1.00 0.00 H new ATOM 0 HB3 GLU A 36 6.924 -2.097 -25.509 1.00 0.00 H new ATOM 0 HG2 GLU A 36 6.646 -5.136 -25.347 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.489 -4.069 -26.116 1.00 0.00 H new ATOM 554 N GLU A 37 10.513 -2.200 -25.138 1.00 0.00 N ATOM 555 CA GLU A 37 11.421 -1.091 -25.378 1.00 0.00 C ATOM 556 C GLU A 37 10.988 -0.309 -26.619 1.00 0.00 C ATOM 557 O GLU A 37 10.695 -0.900 -27.658 1.00 0.00 O ATOM 558 CB GLU A 37 12.863 -1.582 -25.515 1.00 0.00 C ATOM 559 CG GLU A 37 13.025 -2.468 -26.752 1.00 0.00 C ATOM 560 CD GLU A 37 14.495 -2.821 -26.984 1.00 0.00 C ATOM 561 OE1 GLU A 37 14.905 -3.964 -26.729 1.00 0.00 O ATOM 562 OE2 GLU A 37 15.221 -1.861 -27.448 1.00 0.00 O ATOM 0 H GLU A 37 10.907 -3.122 -25.325 1.00 0.00 H new ATOM 0 HA GLU A 37 11.380 -0.422 -24.518 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.537 -0.728 -25.584 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.147 -2.141 -24.623 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.443 -3.381 -26.628 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.628 -1.953 -27.627 1.00 0.00 H new ATOM 570 N GLU A 38 10.960 1.007 -26.471 1.00 0.00 N ATOM 571 CA GLU A 38 10.568 1.876 -27.568 1.00 0.00 C ATOM 572 C GLU A 38 11.423 3.145 -27.572 1.00 0.00 C ATOM 573 O GLU A 38 11.759 3.674 -26.513 1.00 0.00 O ATOM 574 CB GLU A 38 9.079 2.218 -27.492 1.00 0.00 C ATOM 575 CG GLU A 38 8.246 0.973 -27.180 1.00 0.00 C ATOM 576 CD GLU A 38 6.873 1.051 -27.852 1.00 0.00 C ATOM 577 OE1 GLU A 38 6.400 0.052 -28.415 1.00 0.00 O ATOM 578 OE2 GLU A 38 6.292 2.200 -27.773 1.00 0.00 O ATOM 0 H GLU A 38 11.202 1.493 -25.608 1.00 0.00 H new ATOM 0 HA GLU A 38 10.737 1.345 -28.505 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.914 2.972 -26.723 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.753 2.651 -28.438 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.773 0.083 -27.523 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.122 0.874 -26.102 1.00 0.00 H new ATOM 586 N THR A 39 11.749 3.597 -28.774 1.00 0.00 N ATOM 587 CA THR A 39 12.559 4.794 -28.928 1.00 0.00 C ATOM 588 C THR A 39 13.846 4.677 -28.111 1.00 0.00 C ATOM 589 O THR A 39 14.433 5.686 -27.723 1.00 0.00 O ATOM 590 CB THR A 39 11.699 5.998 -28.541 1.00 0.00 C ATOM 591 OG1 THR A 39 10.624 5.974 -29.475 1.00 0.00 O ATOM 592 CG2 THR A 39 12.400 7.330 -28.814 1.00 0.00 C ATOM 0 H THR A 39 11.467 3.156 -29.650 1.00 0.00 H new ATOM 0 HA THR A 39 12.880 4.924 -29.961 1.00 0.00 H new ATOM 0 HB THR A 39 11.441 5.933 -27.484 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.017 6.722 -29.294 1.00 0.00 H new ATOM 0 HG21 THR A 39 11.746 8.152 -28.522 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.324 7.379 -28.239 1.00 0.00 H new ATOM 0 HG23 THR A 39 12.629 7.409 -29.877 1.00 0.00 H new ATOM 600 N SER A 40 14.247 3.437 -27.872 1.00 0.00 N ATOM 601 CA SER A 40 15.455 3.175 -27.108 1.00 0.00 C ATOM 602 C SER A 40 15.186 3.386 -25.616 1.00 0.00 C ATOM 603 O SER A 40 16.009 3.967 -24.910 1.00 0.00 O ATOM 604 CB SER A 40 16.605 4.071 -27.572 1.00 0.00 C ATOM 605 OG SER A 40 16.680 4.151 -28.993 1.00 0.00 O ATOM 0 H SER A 40 13.757 2.603 -28.194 1.00 0.00 H new ATOM 0 HA SER A 40 15.748 2.138 -27.275 1.00 0.00 H new ATOM 0 HB2 SER A 40 16.474 5.071 -27.159 1.00 0.00 H new ATOM 0 HB3 SER A 40 17.546 3.685 -27.181 1.00 0.00 H new ATOM 0 HG SER A 40 17.425 4.733 -29.249 1.00 0.00 H new ATOM 611 N PHE A 41 14.032 2.903 -25.182 1.00 0.00 N ATOM 612 CA PHE A 41 13.646 3.031 -23.787 1.00 0.00 C ATOM 613 C PHE A 41 13.253 1.672 -23.200 1.00 0.00 C ATOM 614 O PHE A 41 13.284 0.659 -23.896 1.00 0.00 O ATOM 615 CB PHE A 41 12.432 3.960 -23.743 1.00 0.00 C ATOM 616 CG PHE A 41 12.710 5.371 -24.267 1.00 0.00 C ATOM 617 CD1 PHE A 41 13.854 6.016 -23.912 1.00 0.00 C ATOM 618 CD2 PHE A 41 11.813 5.980 -25.088 1.00 0.00 C ATOM 619 CE1 PHE A 41 14.112 7.324 -24.399 1.00 0.00 C ATOM 620 CE2 PHE A 41 12.071 7.289 -25.575 1.00 0.00 C ATOM 621 CZ PHE A 41 13.215 7.933 -25.220 1.00 0.00 C ATOM 0 H PHE A 41 13.352 2.423 -25.771 1.00 0.00 H new ATOM 0 HA PHE A 41 14.480 3.422 -23.204 1.00 0.00 H new ATOM 0 HB2 PHE A 41 11.627 3.517 -24.330 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.077 4.029 -22.715 1.00 0.00 H new ATOM 0 HD1 PHE A 41 14.566 5.533 -23.259 1.00 0.00 H new ATOM 0 HD2 PHE A 41 10.905 5.468 -25.370 1.00 0.00 H new ATOM 0 HE1 PHE A 41 15.021 7.836 -24.118 1.00 0.00 H new ATOM 0 HE2 PHE A 41 11.359 7.773 -26.227 1.00 0.00 H new ATOM 0 HZ PHE A 41 13.411 8.928 -25.590 1.00 0.00 H new ATOM 631 N LEU A 42 12.894 1.696 -21.925 1.00 0.00 N ATOM 632 CA LEU A 42 12.496 0.480 -21.237 1.00 0.00 C ATOM 633 C LEU A 42 11.114 0.681 -20.612 1.00 0.00 C ATOM 634 O LEU A 42 11.005 1.132 -19.472 1.00 0.00 O ATOM 635 CB LEU A 42 13.570 0.057 -20.232 1.00 0.00 C ATOM 636 CG LEU A 42 14.890 -0.435 -20.830 1.00 0.00 C ATOM 637 CD1 LEU A 42 14.695 -1.754 -21.579 1.00 0.00 C ATOM 638 CD2 LEU A 42 15.526 0.639 -21.716 1.00 0.00 C ATOM 0 H LEU A 42 12.870 2.538 -21.350 1.00 0.00 H new ATOM 0 HA LEU A 42 12.410 -0.346 -21.943 1.00 0.00 H new ATOM 0 HB2 LEU A 42 13.783 0.904 -19.579 1.00 0.00 H new ATOM 0 HB3 LEU A 42 13.161 -0.735 -19.604 1.00 0.00 H new ATOM 0 HG LEU A 42 15.584 -0.629 -20.012 1.00 0.00 H new ATOM 0 HD11 LEU A 42 15.648 -2.081 -21.994 1.00 0.00 H new ATOM 0 HD12 LEU A 42 14.320 -2.511 -20.891 1.00 0.00 H new ATOM 0 HD13 LEU A 42 13.978 -1.611 -22.387 1.00 0.00 H new ATOM 0 HD21 LEU A 42 16.463 0.263 -22.128 1.00 0.00 H new ATOM 0 HD22 LEU A 42 14.846 0.889 -22.530 1.00 0.00 H new ATOM 0 HD23 LEU A 42 15.723 1.531 -21.122 1.00 0.00 H new ATOM 650 N ARG A 43 10.094 0.339 -21.384 1.00 0.00 N ATOM 651 CA ARG A 43 8.724 0.478 -20.920 1.00 0.00 C ATOM 652 C ARG A 43 8.168 -0.883 -20.493 1.00 0.00 C ATOM 653 O ARG A 43 8.204 -1.841 -21.263 1.00 0.00 O ATOM 654 CB ARG A 43 7.830 1.066 -22.013 1.00 0.00 C ATOM 655 CG ARG A 43 6.565 1.683 -21.412 1.00 0.00 C ATOM 656 CD ARG A 43 5.538 1.996 -22.502 1.00 0.00 C ATOM 657 NE ARG A 43 6.112 2.945 -23.483 1.00 0.00 N ATOM 658 CZ ARG A 43 5.716 3.034 -24.770 1.00 0.00 C ATOM 659 NH1 ARG A 43 4.740 2.231 -25.245 1.00 0.00 N ATOM 660 NH2 ARG A 43 6.299 3.918 -25.559 1.00 0.00 N ATOM 0 H ARG A 43 10.188 -0.034 -22.328 1.00 0.00 H new ATOM 0 HA ARG A 43 8.729 1.156 -20.067 1.00 0.00 H new ATOM 0 HB2 ARG A 43 8.380 1.825 -22.569 1.00 0.00 H new ATOM 0 HB3 ARG A 43 7.557 0.286 -22.723 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.131 0.997 -20.685 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.821 2.596 -20.875 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.239 1.077 -23.006 1.00 0.00 H new ATOM 0 HD3 ARG A 43 4.640 2.422 -22.055 1.00 0.00 H new ATOM 0 HE ARG A 43 6.853 3.570 -23.166 1.00 0.00 H new ATOM 0 HH11 ARG A 43 4.295 1.550 -24.630 1.00 0.00 H new ATOM 0 HH12 ARG A 43 4.447 2.306 -26.219 1.00 0.00 H new ATOM 0 HH21 ARG A 43 7.036 4.520 -25.193 1.00 0.00 H new ATOM 0 HH22 ARG A 43 6.012 3.999 -26.534 1.00 0.00 H new ATOM 673 N ALA A 44 7.667 -0.922 -19.268 1.00 0.00 N ATOM 674 CA ALA A 44 7.104 -2.149 -18.729 1.00 0.00 C ATOM 675 C ALA A 44 5.599 -1.969 -18.525 1.00 0.00 C ATOM 676 O ALA A 44 5.153 -1.632 -17.430 1.00 0.00 O ATOM 677 CB ALA A 44 7.828 -2.516 -17.431 1.00 0.00 C ATOM 0 H ALA A 44 7.639 -0.124 -18.633 1.00 0.00 H new ATOM 0 HA ALA A 44 7.246 -2.974 -19.427 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.406 -3.436 -17.027 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.889 -2.662 -17.635 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.705 -1.711 -16.706 1.00 0.00 H new ATOM 683 N ARG A 45 4.858 -2.202 -19.599 1.00 0.00 N ATOM 684 CA ARG A 45 3.411 -2.070 -19.552 1.00 0.00 C ATOM 685 C ARG A 45 2.823 -3.038 -18.525 1.00 0.00 C ATOM 686 O ARG A 45 2.802 -4.248 -18.748 1.00 0.00 O ATOM 687 CB ARG A 45 2.788 -2.348 -20.921 1.00 0.00 C ATOM 688 CG ARG A 45 1.279 -2.099 -20.897 1.00 0.00 C ATOM 689 CD ARG A 45 0.551 -3.058 -21.842 1.00 0.00 C ATOM 690 NE ARG A 45 1.446 -3.450 -22.954 1.00 0.00 N ATOM 691 CZ ARG A 45 1.261 -4.543 -23.724 1.00 0.00 C ATOM 692 NH1 ARG A 45 0.210 -5.363 -23.511 1.00 0.00 N ATOM 693 NH2 ARG A 45 2.124 -4.798 -24.691 1.00 0.00 N ATOM 0 H ARG A 45 5.232 -2.481 -20.506 1.00 0.00 H new ATOM 0 HA ARG A 45 3.181 -1.045 -19.263 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.254 -1.710 -21.673 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.985 -3.380 -21.212 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.902 -2.226 -19.882 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.072 -1.069 -21.187 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.227 -3.944 -21.296 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.346 -2.581 -22.237 1.00 0.00 H new ATOM 0 HE ARG A 45 2.253 -2.857 -23.151 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.453 -5.159 -22.763 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.079 -6.187 -24.098 1.00 0.00 H new ATOM 0 HH21 ARG A 45 2.915 -4.173 -24.846 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.999 -5.620 -25.282 1.00 0.00 H new ATOM 706 N VAL A 46 2.359 -2.471 -17.421 1.00 0.00 N ATOM 707 CA VAL A 46 1.772 -3.269 -16.359 1.00 0.00 C ATOM 708 C VAL A 46 0.250 -3.276 -16.514 1.00 0.00 C ATOM 709 O VAL A 46 -0.395 -2.235 -16.399 1.00 0.00 O ATOM 710 CB VAL A 46 2.232 -2.747 -14.996 1.00 0.00 C ATOM 711 CG1 VAL A 46 2.253 -3.870 -13.957 1.00 0.00 C ATOM 712 CG2 VAL A 46 3.599 -2.070 -15.101 1.00 0.00 C ATOM 0 H VAL A 46 2.378 -1.467 -17.239 1.00 0.00 H new ATOM 0 HA VAL A 46 2.110 -4.303 -16.427 1.00 0.00 H new ATOM 0 HB VAL A 46 1.513 -1.998 -14.664 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.583 -3.472 -12.998 1.00 0.00 H new ATOM 0 HG12 VAL A 46 1.251 -4.287 -13.851 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.939 -4.653 -14.281 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.902 -1.708 -14.119 1.00 0.00 H new ATOM 0 HG22 VAL A 46 4.334 -2.788 -15.466 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.537 -1.231 -15.794 1.00 0.00 H new ATOM 722 N GLN A 47 -0.282 -4.462 -16.773 1.00 0.00 N ATOM 723 CA GLN A 47 -1.716 -4.618 -16.945 1.00 0.00 C ATOM 724 C GLN A 47 -2.307 -5.416 -15.781 1.00 0.00 C ATOM 725 O GLN A 47 -1.839 -6.511 -15.474 1.00 0.00 O ATOM 726 CB GLN A 47 -2.038 -5.284 -18.285 1.00 0.00 C ATOM 727 CG GLN A 47 -3.476 -5.804 -18.306 1.00 0.00 C ATOM 728 CD GLN A 47 -4.166 -5.456 -19.627 1.00 0.00 C ATOM 729 OE1 GLN A 47 -4.171 -4.156 -19.908 1.00 0.00 O flip ATOM 730 NE2 GLN A 47 -4.661 -6.310 -20.343 1.00 0.00 N flip ATOM 0 H GLN A 47 0.255 -5.324 -16.868 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.171 -3.628 -16.949 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.894 -4.569 -19.095 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.347 -6.108 -18.461 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.478 -6.885 -18.164 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.035 -5.373 -17.475 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.622 -7.291 -20.068 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -5.114 -6.043 -21.217 1.00 0.00 H new ATOM 739 N GLN A 48 -3.326 -4.836 -15.164 1.00 0.00 N ATOM 740 CA GLN A 48 -3.986 -5.479 -14.041 1.00 0.00 C ATOM 741 C GLN A 48 -5.066 -6.441 -14.540 1.00 0.00 C ATOM 742 O GLN A 48 -6.011 -6.027 -15.210 1.00 0.00 O ATOM 743 CB GLN A 48 -4.576 -4.441 -13.084 1.00 0.00 C ATOM 744 CG GLN A 48 -5.096 -5.105 -11.809 1.00 0.00 C ATOM 745 CD GLN A 48 -6.623 -5.210 -11.828 1.00 0.00 C ATOM 746 OE1 GLN A 48 -7.079 -6.368 -12.298 1.00 0.00 O flip ATOM 747 NE2 GLN A 48 -7.339 -4.300 -11.442 1.00 0.00 N flip ATOM 0 H GLN A 48 -3.711 -3.927 -15.421 1.00 0.00 H new ATOM 0 HA GLN A 48 -3.243 -6.053 -13.488 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.816 -3.702 -12.830 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.388 -3.906 -13.577 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -4.661 -6.099 -11.709 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -4.778 -4.529 -10.940 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.923 -3.437 -11.093 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.353 -4.403 -11.469 1.00 0.00 H new ATOM 756 N ILE A 49 -4.889 -7.708 -14.195 1.00 0.00 N ATOM 757 CA ILE A 49 -5.838 -8.732 -14.598 1.00 0.00 C ATOM 758 C ILE A 49 -5.780 -9.894 -13.604 1.00 0.00 C ATOM 759 O ILE A 49 -4.803 -10.040 -12.870 1.00 0.00 O ATOM 760 CB ILE A 49 -5.591 -9.151 -16.049 1.00 0.00 C ATOM 761 CG1 ILE A 49 -4.334 -10.016 -16.163 1.00 0.00 C ATOM 762 CG2 ILE A 49 -5.532 -7.930 -16.969 1.00 0.00 C ATOM 763 CD1 ILE A 49 -3.069 -9.158 -16.096 1.00 0.00 C ATOM 0 H ILE A 49 -4.103 -8.049 -13.641 1.00 0.00 H new ATOM 0 HA ILE A 49 -6.855 -8.340 -14.573 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.433 -9.761 -16.377 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.321 -10.752 -15.359 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.353 -10.569 -17.102 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.356 -8.255 -17.994 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.477 -7.389 -16.917 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.721 -7.274 -16.652 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.191 -9.798 -16.179 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.073 -8.439 -16.915 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -3.041 -8.625 -15.146 1.00 0.00 H new ATOM 775 N GLN A 50 -6.837 -10.693 -13.612 1.00 0.00 N ATOM 776 CA GLN A 50 -6.919 -11.836 -12.721 1.00 0.00 C ATOM 777 C GLN A 50 -6.300 -13.070 -13.382 1.00 0.00 C ATOM 778 O GLN A 50 -6.816 -13.567 -14.381 1.00 0.00 O ATOM 779 CB GLN A 50 -8.367 -12.106 -12.306 1.00 0.00 C ATOM 780 CG GLN A 50 -9.277 -12.218 -13.530 1.00 0.00 C ATOM 781 CD GLN A 50 -10.299 -11.080 -13.559 1.00 0.00 C ATOM 782 OE1 GLN A 50 -9.803 -9.897 -13.208 1.00 0.00 O flip ATOM 783 NE2 GLN A 50 -11.462 -11.263 -13.879 1.00 0.00 N flip ATOM 0 H GLN A 50 -7.645 -10.570 -14.223 1.00 0.00 H new ATOM 0 HA GLN A 50 -6.353 -11.608 -11.818 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -8.417 -13.028 -11.726 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.719 -11.303 -11.659 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -8.675 -12.194 -14.438 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.795 -13.177 -13.516 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.779 -12.197 -14.138 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.118 -10.482 -13.888 1.00 0.00 H new ATOM 792 N VAL A 51 -5.203 -13.528 -12.797 1.00 0.00 N ATOM 793 CA VAL A 51 -4.509 -14.694 -13.317 1.00 0.00 C ATOM 794 C VAL A 51 -3.754 -15.382 -12.178 1.00 0.00 C ATOM 795 O VAL A 51 -3.154 -14.717 -11.334 1.00 0.00 O ATOM 796 CB VAL A 51 -3.598 -14.286 -14.477 1.00 0.00 C ATOM 797 CG1 VAL A 51 -2.633 -13.177 -14.053 1.00 0.00 C ATOM 798 CG2 VAL A 51 -2.838 -15.494 -15.028 1.00 0.00 C ATOM 0 H VAL A 51 -4.778 -13.113 -11.968 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.221 -15.415 -13.718 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.228 -13.894 -15.276 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.997 -12.906 -14.896 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.201 -12.304 -13.731 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -2.012 -13.530 -13.229 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.198 -15.177 -15.851 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.225 -15.929 -14.239 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.549 -16.238 -15.387 1.00 0.00 H new ATOM 808 N PRO A 52 -3.809 -16.740 -12.190 1.00 0.00 N ATOM 809 CA PRO A 52 -3.139 -17.527 -11.168 1.00 0.00 C ATOM 810 C PRO A 52 -1.627 -17.552 -11.400 1.00 0.00 C ATOM 811 O PRO A 52 -1.168 -17.905 -12.485 1.00 0.00 O ATOM 812 CB PRO A 52 -3.776 -18.904 -11.250 1.00 0.00 C ATOM 813 CG PRO A 52 -4.444 -18.974 -12.614 1.00 0.00 C ATOM 814 CD PRO A 52 -4.509 -17.562 -13.174 1.00 0.00 C ATOM 0 HA PRO A 52 -3.258 -17.108 -10.169 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -3.027 -19.688 -11.141 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.504 -19.046 -10.451 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.880 -19.624 -13.283 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -5.445 -19.397 -12.528 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.032 -17.502 -14.152 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.541 -17.234 -13.302 1.00 0.00 H new ATOM 822 N LEU A 53 -0.895 -17.172 -10.362 1.00 0.00 N ATOM 823 CA LEU A 53 0.556 -17.147 -10.440 1.00 0.00 C ATOM 824 C LEU A 53 1.083 -18.581 -10.526 1.00 0.00 C ATOM 825 O LEU A 53 0.970 -19.346 -9.569 1.00 0.00 O ATOM 826 CB LEU A 53 1.140 -16.346 -9.275 1.00 0.00 C ATOM 827 CG LEU A 53 0.659 -14.899 -9.148 1.00 0.00 C ATOM 828 CD1 LEU A 53 0.556 -14.482 -7.679 1.00 0.00 C ATOM 829 CD2 LEU A 53 1.552 -13.952 -9.951 1.00 0.00 C ATOM 0 H LEU A 53 -1.279 -16.879 -9.464 1.00 0.00 H new ATOM 0 HA LEU A 53 0.881 -16.633 -11.345 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.906 -16.868 -8.347 1.00 0.00 H new ATOM 0 HB3 LEU A 53 2.226 -16.340 -9.372 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.343 -14.834 -9.572 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.212 -13.450 -7.617 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.152 -15.132 -7.165 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.535 -14.567 -7.207 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.188 -12.930 -9.844 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.575 -14.014 -9.579 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.530 -14.236 -11.003 1.00 0.00 H new ATOM 841 N GLY A 54 1.647 -18.902 -11.680 1.00 0.00 N ATOM 842 CA GLY A 54 2.194 -20.230 -11.903 1.00 0.00 C ATOM 843 C GLY A 54 3.499 -20.424 -11.129 1.00 0.00 C ATOM 844 O GLY A 54 3.479 -20.775 -9.950 1.00 0.00 O ATOM 0 H GLY A 54 1.737 -18.265 -12.472 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.469 -20.982 -11.594 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.373 -20.379 -12.968 1.00 0.00 H new ATOM 848 N ASP A 55 4.602 -20.186 -11.823 1.00 0.00 N ATOM 849 CA ASP A 55 5.914 -20.330 -11.215 1.00 0.00 C ATOM 850 C ASP A 55 6.195 -19.116 -10.327 1.00 0.00 C ATOM 851 O ASP A 55 5.326 -18.267 -10.137 1.00 0.00 O ATOM 852 CB ASP A 55 7.010 -20.400 -12.280 1.00 0.00 C ATOM 853 CG ASP A 55 6.948 -21.627 -13.192 1.00 0.00 C ATOM 854 OD1 ASP A 55 5.881 -22.229 -13.381 1.00 0.00 O ATOM 855 OD2 ASP A 55 8.072 -21.966 -13.727 1.00 0.00 O ATOM 0 H ASP A 55 4.614 -19.894 -12.800 1.00 0.00 H new ATOM 0 HA ASP A 55 5.917 -21.252 -10.633 1.00 0.00 H new ATOM 0 HB2 ASP A 55 6.953 -19.504 -12.898 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.980 -20.384 -11.783 1.00 0.00 H new ATOM 861 N ALA A 56 7.412 -19.074 -9.806 1.00 0.00 N ATOM 862 CA ALA A 56 7.819 -17.978 -8.942 1.00 0.00 C ATOM 863 C ALA A 56 9.346 -17.885 -8.929 1.00 0.00 C ATOM 864 O ALA A 56 9.967 -17.952 -7.870 1.00 0.00 O ATOM 865 CB ALA A 56 7.236 -18.187 -7.543 1.00 0.00 C ATOM 0 H ALA A 56 8.130 -19.781 -9.965 1.00 0.00 H new ATOM 0 HA ALA A 56 7.434 -17.030 -9.317 1.00 0.00 H new ATOM 0 HB1 ALA A 56 7.541 -17.365 -6.895 1.00 0.00 H new ATOM 0 HB2 ALA A 56 6.148 -18.217 -7.603 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.603 -19.128 -7.133 1.00 0.00 H new ATOM 871 N ALA A 57 9.907 -17.731 -10.119 1.00 0.00 N ATOM 872 CA ALA A 57 11.350 -17.627 -10.259 1.00 0.00 C ATOM 873 C ALA A 57 11.706 -16.249 -10.821 1.00 0.00 C ATOM 874 O ALA A 57 11.015 -15.268 -10.554 1.00 0.00 O ATOM 875 CB ALA A 57 11.861 -18.767 -11.142 1.00 0.00 C ATOM 0 H ALA A 57 9.388 -17.676 -10.996 1.00 0.00 H new ATOM 0 HA ALA A 57 11.837 -17.723 -9.289 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.943 -18.689 -11.247 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.609 -19.723 -10.684 1.00 0.00 H new ATOM 0 HB3 ALA A 57 11.396 -18.702 -12.125 1.00 0.00 H new ATOM 881 N ARG A 58 12.785 -16.220 -11.590 1.00 0.00 N ATOM 882 CA ARG A 58 13.241 -14.980 -12.193 1.00 0.00 C ATOM 883 C ARG A 58 13.682 -15.222 -13.639 1.00 0.00 C ATOM 884 O ARG A 58 14.824 -14.944 -13.997 1.00 0.00 O ATOM 885 CB ARG A 58 14.407 -14.380 -11.405 1.00 0.00 C ATOM 886 CG ARG A 58 13.923 -13.770 -10.088 1.00 0.00 C ATOM 887 CD ARG A 58 14.895 -12.698 -9.591 1.00 0.00 C ATOM 888 NE ARG A 58 14.847 -12.618 -8.113 1.00 0.00 N ATOM 889 CZ ARG A 58 15.758 -11.964 -7.362 1.00 0.00 C ATOM 890 NH1 ARG A 58 16.797 -11.326 -7.943 1.00 0.00 N ATOM 891 NH2 ARG A 58 15.619 -11.957 -6.049 1.00 0.00 N ATOM 0 H ARG A 58 13.356 -17.036 -11.809 1.00 0.00 H new ATOM 0 HA ARG A 58 12.407 -14.278 -12.177 1.00 0.00 H new ATOM 0 HB2 ARG A 58 15.148 -15.153 -11.201 1.00 0.00 H new ATOM 0 HB3 ARG A 58 14.900 -13.615 -12.005 1.00 0.00 H new ATOM 0 HG2 ARG A 58 12.934 -13.333 -10.227 1.00 0.00 H new ATOM 0 HG3 ARG A 58 13.823 -14.552 -9.336 1.00 0.00 H new ATOM 0 HD2 ARG A 58 15.908 -12.934 -9.918 1.00 0.00 H new ATOM 0 HD3 ARG A 58 14.637 -11.732 -10.024 1.00 0.00 H new ATOM 0 HE ARG A 58 14.078 -13.086 -7.633 1.00 0.00 H new ATOM 0 HH11 ARG A 58 16.898 -11.336 -8.958 1.00 0.00 H new ATOM 0 HH12 ARG A 58 17.480 -10.834 -7.367 1.00 0.00 H new ATOM 0 HH21 ARG A 58 14.832 -12.441 -5.617 1.00 0.00 H new ATOM 0 HH22 ARG A 58 16.299 -11.468 -5.467 1.00 0.00 H new ATOM 904 N PRO A 59 12.727 -15.753 -14.449 1.00 0.00 N ATOM 905 CA PRO A 59 13.006 -16.035 -15.847 1.00 0.00 C ATOM 906 C PRO A 59 13.038 -14.747 -16.671 1.00 0.00 C ATOM 907 O PRO A 59 13.756 -14.660 -17.666 1.00 0.00 O ATOM 908 CB PRO A 59 11.906 -16.990 -16.282 1.00 0.00 C ATOM 909 CG PRO A 59 10.795 -16.843 -15.254 1.00 0.00 C ATOM 910 CD PRO A 59 11.363 -16.096 -14.058 1.00 0.00 C ATOM 0 HA PRO A 59 13.988 -16.483 -15.998 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.548 -16.744 -17.282 1.00 0.00 H new ATOM 0 HB3 PRO A 59 12.271 -18.016 -16.318 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.951 -16.299 -15.679 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.423 -17.822 -14.951 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.779 -15.203 -13.835 1.00 0.00 H new ATOM 0 HD3 PRO A 59 11.352 -16.716 -13.162 1.00 0.00 H new ATOM 918 N SER A 60 12.251 -13.778 -16.226 1.00 0.00 N ATOM 919 CA SER A 60 12.181 -12.499 -16.910 1.00 0.00 C ATOM 920 C SER A 60 13.422 -11.663 -16.586 1.00 0.00 C ATOM 921 O SER A 60 14.007 -11.044 -17.475 1.00 0.00 O ATOM 922 CB SER A 60 10.912 -11.736 -16.524 1.00 0.00 C ATOM 923 OG SER A 60 10.222 -11.233 -17.665 1.00 0.00 O ATOM 0 H SER A 60 11.657 -13.854 -15.400 1.00 0.00 H new ATOM 0 HA SER A 60 12.147 -12.687 -17.983 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.250 -12.395 -15.962 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.173 -10.908 -15.865 1.00 0.00 H new ATOM 0 HG SER A 60 9.511 -10.623 -17.375 1.00 0.00 H new ATOM 929 N HIS A 61 13.785 -11.672 -15.313 1.00 0.00 N ATOM 930 CA HIS A 61 14.944 -10.922 -14.861 1.00 0.00 C ATOM 931 C HIS A 61 16.215 -11.532 -15.457 1.00 0.00 C ATOM 932 O HIS A 61 17.196 -10.828 -15.689 1.00 0.00 O ATOM 933 CB HIS A 61 14.983 -10.849 -13.333 1.00 0.00 C ATOM 934 CG HIS A 61 13.765 -10.202 -12.718 1.00 0.00 C ATOM 935 ND1 HIS A 61 13.834 -9.366 -11.617 1.00 0.00 N ATOM 936 CD2 HIS A 61 12.447 -10.275 -13.063 1.00 0.00 C ATOM 937 CE1 HIS A 61 12.609 -8.962 -11.320 1.00 0.00 C ATOM 938 NE2 HIS A 61 11.750 -9.525 -12.217 1.00 0.00 N ATOM 0 H HIS A 61 13.297 -12.187 -14.580 1.00 0.00 H new ATOM 0 HA HIS A 61 14.875 -9.893 -15.215 1.00 0.00 H new ATOM 0 HB2 HIS A 61 15.086 -11.858 -12.934 1.00 0.00 H new ATOM 0 HB3 HIS A 61 15.870 -10.293 -13.028 1.00 0.00 H new ATOM 0 HD1 HIS A 61 14.685 -9.105 -11.119 1.00 0.00 H new ATOM 0 HD2 HIS A 61 12.040 -10.846 -13.884 1.00 0.00 H new ATOM 0 HE1 HIS A 61 12.337 -8.302 -10.509 1.00 0.00 H new ATOM 946 N LEU A 62 16.155 -12.835 -15.687 1.00 0.00 N ATOM 947 CA LEU A 62 17.288 -13.548 -16.250 1.00 0.00 C ATOM 948 C LEU A 62 17.317 -13.337 -17.766 1.00 0.00 C ATOM 949 O LEU A 62 18.387 -13.198 -18.357 1.00 0.00 O ATOM 950 CB LEU A 62 17.255 -15.021 -15.835 1.00 0.00 C ATOM 951 CG LEU A 62 18.092 -15.390 -14.609 1.00 0.00 C ATOM 952 CD1 LEU A 62 17.477 -16.578 -13.864 1.00 0.00 C ATOM 953 CD2 LEU A 62 19.550 -15.650 -14.997 1.00 0.00 C ATOM 0 H LEU A 62 15.339 -13.416 -15.494 1.00 0.00 H new ATOM 0 HA LEU A 62 18.222 -13.150 -15.854 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.219 -15.300 -15.641 1.00 0.00 H new ATOM 0 HB3 LEU A 62 17.595 -15.623 -16.677 1.00 0.00 H new ATOM 0 HG LEU A 62 18.088 -14.542 -13.925 1.00 0.00 H new ATOM 0 HD11 LEU A 62 18.091 -16.821 -12.997 1.00 0.00 H new ATOM 0 HD12 LEU A 62 16.470 -16.320 -13.535 1.00 0.00 H new ATOM 0 HD13 LEU A 62 17.432 -17.440 -14.529 1.00 0.00 H new ATOM 0 HD21 LEU A 62 20.123 -15.910 -14.107 1.00 0.00 H new ATOM 0 HD22 LEU A 62 19.595 -16.472 -15.711 1.00 0.00 H new ATOM 0 HD23 LEU A 62 19.972 -14.753 -15.450 1.00 0.00 H new ATOM 965 N LEU A 63 16.128 -13.318 -18.351 1.00 0.00 N ATOM 966 CA LEU A 63 16.003 -13.126 -19.786 1.00 0.00 C ATOM 967 C LEU A 63 16.103 -11.634 -20.106 1.00 0.00 C ATOM 968 O LEU A 63 17.091 -11.184 -20.685 1.00 0.00 O ATOM 969 CB LEU A 63 14.722 -13.783 -20.304 1.00 0.00 C ATOM 970 CG LEU A 63 14.695 -14.112 -21.798 1.00 0.00 C ATOM 971 CD1 LEU A 63 15.042 -15.582 -22.042 1.00 0.00 C ATOM 972 CD2 LEU A 63 13.351 -13.730 -22.419 1.00 0.00 C ATOM 0 H LEU A 63 15.243 -13.432 -17.857 1.00 0.00 H new ATOM 0 HA LEU A 63 16.821 -13.620 -20.310 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.559 -14.705 -19.746 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.883 -13.123 -20.082 1.00 0.00 H new ATOM 0 HG LEU A 63 15.460 -13.514 -22.293 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.016 -15.789 -23.112 1.00 0.00 H new ATOM 0 HD12 LEU A 63 16.040 -15.789 -21.657 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.317 -16.216 -21.532 1.00 0.00 H new ATOM 0 HD21 LEU A 63 13.358 -13.974 -23.481 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.552 -14.283 -21.925 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.183 -12.660 -22.294 1.00 0.00 H new ATOM 984 N THR A 64 15.066 -10.907 -19.717 1.00 0.00 N ATOM 985 CA THR A 64 15.024 -9.474 -19.955 1.00 0.00 C ATOM 986 C THR A 64 16.025 -8.753 -19.050 1.00 0.00 C ATOM 987 O THR A 64 16.923 -8.066 -19.534 1.00 0.00 O ATOM 988 CB THR A 64 13.581 -9.004 -19.761 1.00 0.00 C ATOM 989 OG1 THR A 64 12.943 -9.321 -20.995 1.00 0.00 O ATOM 990 CG2 THR A 64 13.469 -7.481 -19.664 1.00 0.00 C ATOM 0 H THR A 64 14.248 -11.284 -19.238 1.00 0.00 H new ATOM 0 HA THR A 64 15.325 -9.234 -20.975 1.00 0.00 H new ATOM 0 HB THR A 64 13.171 -9.456 -18.858 1.00 0.00 H new ATOM 0 HG1 THR A 64 12.043 -9.667 -20.819 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.425 -7.201 -19.527 1.00 0.00 H new ATOM 0 HG22 THR A 64 14.054 -7.126 -18.815 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.848 -7.029 -20.580 1.00 0.00 H new ATOM 998 N SER A 65 15.837 -8.936 -17.752 1.00 0.00 N ATOM 999 CA SER A 65 16.713 -8.312 -16.774 1.00 0.00 C ATOM 1000 C SER A 65 16.595 -6.789 -16.862 1.00 0.00 C ATOM 1001 O SER A 65 17.589 -6.097 -17.078 1.00 0.00 O ATOM 1002 CB SER A 65 18.166 -8.744 -16.981 1.00 0.00 C ATOM 1003 OG SER A 65 18.840 -7.917 -17.925 1.00 0.00 O ATOM 0 H SER A 65 15.091 -9.507 -17.354 1.00 0.00 H new ATOM 0 HA SER A 65 16.403 -8.638 -15.781 1.00 0.00 H new ATOM 0 HB2 SER A 65 18.693 -8.710 -16.028 1.00 0.00 H new ATOM 0 HB3 SER A 65 18.191 -9.779 -17.323 1.00 0.00 H new ATOM 0 HG SER A 65 18.419 -8.014 -18.805 1.00 0.00 H new ATOM 1009 N GLN A 66 15.371 -6.311 -16.690 1.00 0.00 N ATOM 1010 CA GLN A 66 15.110 -4.883 -16.749 1.00 0.00 C ATOM 1011 C GLN A 66 14.184 -4.465 -15.605 1.00 0.00 C ATOM 1012 O GLN A 66 14.513 -3.567 -14.832 1.00 0.00 O ATOM 1013 CB GLN A 66 14.519 -4.490 -18.104 1.00 0.00 C ATOM 1014 CG GLN A 66 15.563 -4.616 -19.215 1.00 0.00 C ATOM 1015 CD GLN A 66 16.824 -3.818 -18.876 1.00 0.00 C ATOM 1016 OE1 GLN A 66 17.934 -4.324 -18.894 1.00 0.00 O ATOM 1017 NE2 GLN A 66 16.592 -2.546 -18.567 1.00 0.00 N ATOM 0 H GLN A 66 14.549 -6.888 -16.510 1.00 0.00 H new ATOM 0 HA GLN A 66 16.057 -4.355 -16.635 1.00 0.00 H new ATOM 0 HB2 GLN A 66 13.664 -5.127 -18.330 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.151 -3.465 -18.061 1.00 0.00 H new ATOM 0 HG2 GLN A 66 15.820 -5.665 -19.360 1.00 0.00 H new ATOM 0 HG3 GLN A 66 15.144 -4.258 -20.155 1.00 0.00 H new ATOM 0 HE21 GLN A 66 15.638 -2.186 -18.571 1.00 0.00 H new ATOM 0 HE22 GLN A 66 17.368 -1.930 -18.326 1.00 0.00 H new ATOM 1026 N LEU A 67 13.044 -5.136 -15.533 1.00 0.00 N ATOM 1027 CA LEU A 67 12.067 -4.845 -14.497 1.00 0.00 C ATOM 1028 C LEU A 67 12.620 -5.293 -13.142 1.00 0.00 C ATOM 1029 O LEU A 67 13.220 -6.361 -13.035 1.00 0.00 O ATOM 1030 CB LEU A 67 10.714 -5.468 -14.846 1.00 0.00 C ATOM 1031 CG LEU A 67 10.025 -4.918 -16.096 1.00 0.00 C ATOM 1032 CD1 LEU A 67 10.916 -5.080 -17.329 1.00 0.00 C ATOM 1033 CD2 LEU A 67 8.650 -5.561 -16.293 1.00 0.00 C ATOM 0 H LEU A 67 12.775 -5.881 -16.176 1.00 0.00 H new ATOM 0 HA LEU A 67 11.889 -3.772 -14.431 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.853 -6.541 -14.975 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.044 -5.333 -13.997 1.00 0.00 H new ATOM 0 HG LEU A 67 9.863 -3.850 -15.954 1.00 0.00 H new ATOM 0 HD11 LEU A 67 10.403 -4.681 -18.204 1.00 0.00 H new ATOM 0 HD12 LEU A 67 11.849 -4.538 -17.177 1.00 0.00 H new ATOM 0 HD13 LEU A 67 11.132 -6.137 -17.486 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.182 -5.152 -17.189 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.765 -6.639 -16.404 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.022 -5.350 -15.427 1.00 0.00 H new ATOM 1045 N PRO A 68 12.390 -4.432 -12.115 1.00 0.00 N ATOM 1046 CA PRO A 68 12.856 -4.728 -10.772 1.00 0.00 C ATOM 1047 C PRO A 68 11.986 -5.801 -10.112 1.00 0.00 C ATOM 1048 O PRO A 68 10.983 -6.229 -10.683 1.00 0.00 O ATOM 1049 CB PRO A 68 12.816 -3.398 -10.038 1.00 0.00 C ATOM 1050 CG PRO A 68 11.894 -2.503 -10.850 1.00 0.00 C ATOM 1051 CD PRO A 68 11.682 -3.159 -12.206 1.00 0.00 C ATOM 0 HA PRO A 68 13.863 -5.144 -10.760 1.00 0.00 H new ATOM 0 HB2 PRO A 68 12.443 -3.524 -9.022 1.00 0.00 H new ATOM 0 HB3 PRO A 68 13.813 -2.964 -9.960 1.00 0.00 H new ATOM 0 HG2 PRO A 68 10.941 -2.371 -10.337 1.00 0.00 H new ATOM 0 HG3 PRO A 68 12.332 -1.512 -10.970 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.622 -3.309 -12.412 1.00 0.00 H new ATOM 0 HD3 PRO A 68 12.079 -2.541 -13.011 1.00 0.00 H new ATOM 1059 N LEU A 69 12.401 -6.205 -8.922 1.00 0.00 N ATOM 1060 CA LEU A 69 11.672 -7.219 -8.179 1.00 0.00 C ATOM 1061 C LEU A 69 10.483 -6.568 -7.469 1.00 0.00 C ATOM 1062 O LEU A 69 9.509 -7.242 -7.138 1.00 0.00 O ATOM 1063 CB LEU A 69 12.612 -7.974 -7.237 1.00 0.00 C ATOM 1064 CG LEU A 69 12.528 -9.500 -7.287 1.00 0.00 C ATOM 1065 CD1 LEU A 69 11.162 -9.991 -6.803 1.00 0.00 C ATOM 1066 CD2 LEU A 69 12.862 -10.022 -8.686 1.00 0.00 C ATOM 0 H LEU A 69 13.234 -5.849 -8.453 1.00 0.00 H new ATOM 0 HA LEU A 69 11.267 -7.970 -8.857 1.00 0.00 H new ATOM 0 HB2 LEU A 69 13.636 -7.679 -7.465 1.00 0.00 H new ATOM 0 HB3 LEU A 69 12.407 -7.652 -6.216 1.00 0.00 H new ATOM 0 HG LEU A 69 13.275 -9.905 -6.605 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.129 -11.080 -6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 69 11.002 -9.666 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 69 10.380 -9.577 -7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.795 -11.110 -8.694 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.156 -9.610 -9.406 1.00 0.00 H new ATOM 0 HD23 LEU A 69 13.874 -9.719 -8.955 1.00 0.00 H new ATOM 1078 N MET A 70 10.603 -5.266 -7.255 1.00 0.00 N ATOM 1079 CA MET A 70 9.549 -4.517 -6.591 1.00 0.00 C ATOM 1080 C MET A 70 9.594 -3.040 -6.987 1.00 0.00 C ATOM 1081 O MET A 70 10.671 -2.467 -7.143 1.00 0.00 O ATOM 1082 CB MET A 70 9.711 -4.644 -5.075 1.00 0.00 C ATOM 1083 CG MET A 70 8.693 -3.769 -4.340 1.00 0.00 C ATOM 1084 SD MET A 70 9.500 -2.865 -3.029 1.00 0.00 S ATOM 1085 CE MET A 70 8.097 -2.009 -2.333 1.00 0.00 C ATOM 0 H MET A 70 11.413 -4.711 -7.529 1.00 0.00 H new ATOM 0 HA MET A 70 8.587 -4.927 -6.899 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.583 -5.685 -4.778 1.00 0.00 H new ATOM 0 HB3 MET A 70 10.721 -4.352 -4.788 1.00 0.00 H new ATOM 0 HG2 MET A 70 8.227 -3.074 -5.039 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.897 -4.390 -3.929 1.00 0.00 H new ATOM 0 HE1 MET A 70 8.351 -1.642 -1.339 1.00 0.00 H new ATOM 0 HE2 MET A 70 7.830 -1.168 -2.973 1.00 0.00 H new ATOM 0 HE3 MET A 70 7.252 -2.693 -2.262 1.00 0.00 H new ATOM 1095 N TRP A 71 8.409 -2.465 -7.138 1.00 0.00 N ATOM 1096 CA TRP A 71 8.299 -1.065 -7.513 1.00 0.00 C ATOM 1097 C TRP A 71 7.808 -0.286 -6.292 1.00 0.00 C ATOM 1098 O TRP A 71 7.201 -0.860 -5.389 1.00 0.00 O ATOM 1099 CB TRP A 71 7.395 -0.894 -8.736 1.00 0.00 C ATOM 1100 CG TRP A 71 8.141 -0.942 -10.072 1.00 0.00 C ATOM 1101 CD1 TRP A 71 9.271 -0.308 -10.410 1.00 0.00 C ATOM 1102 CD2 TRP A 71 7.758 -1.694 -11.243 1.00 0.00 C ATOM 1103 NE1 TRP A 71 9.644 -0.594 -11.707 1.00 0.00 N ATOM 1104 CE2 TRP A 71 8.695 -1.464 -12.230 1.00 0.00 C ATOM 1105 CE3 TRP A 71 6.657 -2.541 -11.460 1.00 0.00 C ATOM 1106 CZ2 TRP A 71 8.626 -2.044 -13.502 1.00 0.00 C ATOM 1107 CZ3 TRP A 71 6.602 -3.113 -12.737 1.00 0.00 C ATOM 1108 CH2 TRP A 71 7.537 -2.891 -13.742 1.00 0.00 C ATOM 0 H TRP A 71 7.517 -2.943 -7.007 1.00 0.00 H new ATOM 0 HA TRP A 71 9.269 -0.668 -7.812 1.00 0.00 H new ATOM 0 HB2 TRP A 71 6.636 -1.677 -8.727 1.00 0.00 H new ATOM 0 HB3 TRP A 71 6.871 0.059 -8.658 1.00 0.00 H new ATOM 0 HD1 TRP A 71 9.822 0.346 -9.750 1.00 0.00 H new ATOM 0 HE1 TRP A 71 10.465 -0.233 -12.193 1.00 0.00 H new ATOM 0 HE3 TRP A 71 5.913 -2.735 -10.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 9.372 -1.849 -14.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 5.776 -3.773 -12.957 1.00 0.00 H new ATOM 0 HH2 TRP A 71 7.424 -3.370 -14.703 1.00 0.00 H new ATOM 1119 N GLN A 72 8.087 1.009 -6.305 1.00 0.00 N ATOM 1120 CA GLN A 72 7.679 1.873 -5.210 1.00 0.00 C ATOM 1121 C GLN A 72 7.133 3.195 -5.752 1.00 0.00 C ATOM 1122 O GLN A 72 7.899 4.062 -6.170 1.00 0.00 O ATOM 1123 CB GLN A 72 8.840 2.115 -4.242 1.00 0.00 C ATOM 1124 CG GLN A 72 8.325 2.525 -2.861 1.00 0.00 C ATOM 1125 CD GLN A 72 8.077 1.297 -1.981 1.00 0.00 C ATOM 1126 OE1 GLN A 72 6.917 0.689 -2.216 1.00 0.00 O flip ATOM 1127 NE2 GLN A 72 8.885 0.926 -1.146 1.00 0.00 N flip ATOM 0 H GLN A 72 8.590 1.481 -7.056 1.00 0.00 H new ATOM 0 HA GLN A 72 6.884 1.374 -4.656 1.00 0.00 H new ATOM 0 HB2 GLN A 72 9.441 1.210 -4.156 1.00 0.00 H new ATOM 0 HB3 GLN A 72 9.492 2.894 -4.637 1.00 0.00 H new ATOM 0 HG2 GLN A 72 9.049 3.182 -2.379 1.00 0.00 H new ATOM 0 HG3 GLN A 72 7.401 3.093 -2.967 1.00 0.00 H new ATOM 0 HE21 GLN A 72 9.757 1.439 -1.017 1.00 0.00 H new ATOM 0 HE22 GLN A 72 8.689 0.103 -0.577 1.00 0.00 H new ATOM 1136 N LEU A 73 5.814 3.308 -5.727 1.00 0.00 N ATOM 1137 CA LEU A 73 5.156 4.510 -6.211 1.00 0.00 C ATOM 1138 C LEU A 73 5.740 5.729 -5.496 1.00 0.00 C ATOM 1139 O LEU A 73 5.568 5.886 -4.288 1.00 0.00 O ATOM 1140 CB LEU A 73 3.638 4.384 -6.070 1.00 0.00 C ATOM 1141 CG LEU A 73 2.839 5.680 -6.230 1.00 0.00 C ATOM 1142 CD1 LEU A 73 3.253 6.426 -7.500 1.00 0.00 C ATOM 1143 CD2 LEU A 73 1.334 5.404 -6.192 1.00 0.00 C ATOM 0 H LEU A 73 5.182 2.587 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 73 5.344 4.644 -7.276 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.283 3.668 -6.811 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.418 3.964 -5.089 1.00 0.00 H new ATOM 0 HG LEU A 73 3.069 6.330 -5.386 1.00 0.00 H new ATOM 0 HD11 LEU A 73 2.670 7.343 -7.590 1.00 0.00 H new ATOM 0 HD12 LEU A 73 4.313 6.674 -7.447 1.00 0.00 H new ATOM 0 HD13 LEU A 73 3.071 5.794 -8.369 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.789 6.341 -6.308 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.068 4.727 -7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.072 4.947 -5.238 1.00 0.00 H new ATOM 1155 N TYR A 74 6.419 6.562 -6.271 1.00 0.00 N ATOM 1156 CA TYR A 74 7.030 7.763 -5.726 1.00 0.00 C ATOM 1157 C TYR A 74 6.139 8.984 -5.959 1.00 0.00 C ATOM 1158 O TYR A 74 5.051 8.866 -6.520 1.00 0.00 O ATOM 1159 CB TYR A 74 8.343 7.952 -6.488 1.00 0.00 C ATOM 1160 CG TYR A 74 9.592 7.856 -5.609 1.00 0.00 C ATOM 1161 CD1 TYR A 74 9.669 6.895 -4.622 1.00 0.00 C ATOM 1162 CD2 TYR A 74 10.640 8.732 -5.804 1.00 0.00 C ATOM 1163 CE1 TYR A 74 10.845 6.806 -3.795 1.00 0.00 C ATOM 1164 CE2 TYR A 74 11.816 8.642 -4.976 1.00 0.00 C ATOM 1165 CZ TYR A 74 11.860 7.684 -4.013 1.00 0.00 C ATOM 1166 OH TYR A 74 12.970 7.600 -3.232 1.00 0.00 O ATOM 0 H TYR A 74 6.560 6.429 -7.272 1.00 0.00 H new ATOM 0 HA TYR A 74 7.182 7.663 -4.651 1.00 0.00 H new ATOM 0 HB2 TYR A 74 8.406 7.200 -7.275 1.00 0.00 H new ATOM 0 HB3 TYR A 74 8.330 8.926 -6.978 1.00 0.00 H new ATOM 0 HD1 TYR A 74 8.848 6.210 -4.470 1.00 0.00 H new ATOM 0 HD2 TYR A 74 10.579 9.484 -6.576 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.919 6.058 -3.019 1.00 0.00 H new ATOM 0 HE2 TYR A 74 12.644 9.321 -5.118 1.00 0.00 H new ATOM 0 HH TYR A 74 13.680 7.135 -3.722 1.00 0.00 H new ATOM 1176 N PRO A 75 6.646 10.161 -5.504 1.00 0.00 N ATOM 1177 CA PRO A 75 5.908 11.403 -5.656 1.00 0.00 C ATOM 1178 C PRO A 75 5.963 11.899 -7.102 1.00 0.00 C ATOM 1179 O PRO A 75 6.676 11.335 -7.930 1.00 0.00 O ATOM 1180 CB PRO A 75 6.553 12.366 -4.673 1.00 0.00 C ATOM 1181 CG PRO A 75 7.915 11.778 -4.345 1.00 0.00 C ATOM 1182 CD PRO A 75 7.932 10.339 -4.835 1.00 0.00 C ATOM 0 HA PRO A 75 4.845 11.290 -5.443 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.652 13.360 -5.108 1.00 0.00 H new ATOM 0 HB3 PRO A 75 5.946 12.471 -3.774 1.00 0.00 H new ATOM 0 HG2 PRO A 75 8.705 12.354 -4.826 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.099 11.818 -3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 75 8.762 10.163 -5.519 1.00 0.00 H new ATOM 0 HD3 PRO A 75 8.048 9.640 -4.007 1.00 0.00 H new ATOM 1190 N GLU A 76 5.200 12.950 -7.363 1.00 0.00 N ATOM 1191 CA GLU A 76 5.152 13.529 -8.694 1.00 0.00 C ATOM 1192 C GLU A 76 4.247 12.696 -9.603 1.00 0.00 C ATOM 1193 O GLU A 76 3.087 13.045 -9.819 1.00 0.00 O ATOM 1194 CB GLU A 76 6.557 13.658 -9.287 1.00 0.00 C ATOM 1195 CG GLU A 76 6.858 15.105 -9.675 1.00 0.00 C ATOM 1196 CD GLU A 76 8.354 15.405 -9.556 1.00 0.00 C ATOM 1197 OE1 GLU A 76 9.002 14.955 -8.600 1.00 0.00 O ATOM 1198 OE2 GLU A 76 8.842 16.134 -10.503 1.00 0.00 O ATOM 0 H GLU A 76 4.609 13.416 -6.674 1.00 0.00 H new ATOM 0 HA GLU A 76 4.732 14.532 -8.618 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.294 13.311 -8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.646 13.017 -10.164 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.527 15.287 -10.697 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.295 15.782 -9.032 1.00 0.00 H new ATOM 1206 N GLU A 77 4.811 11.611 -10.113 1.00 0.00 N ATOM 1207 CA GLU A 77 4.069 10.724 -10.992 1.00 0.00 C ATOM 1208 C GLU A 77 5.004 9.677 -11.602 1.00 0.00 C ATOM 1209 O GLU A 77 4.990 9.457 -12.812 1.00 0.00 O ATOM 1210 CB GLU A 77 3.345 11.515 -12.084 1.00 0.00 C ATOM 1211 CG GLU A 77 2.420 10.607 -12.897 1.00 0.00 C ATOM 1212 CD GLU A 77 1.453 11.430 -13.749 1.00 0.00 C ATOM 1213 OE1 GLU A 77 1.815 12.519 -14.219 1.00 0.00 O ATOM 1214 OE2 GLU A 77 0.289 10.901 -13.918 1.00 0.00 O ATOM 0 H GLU A 77 5.774 11.326 -9.934 1.00 0.00 H new ATOM 0 HA GLU A 77 3.313 10.207 -10.401 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.765 12.319 -11.631 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.075 11.982 -12.745 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.015 9.958 -13.540 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.857 9.960 -12.224 1.00 0.00 H new ATOM 1222 N ARG A 78 5.793 9.059 -10.736 1.00 0.00 N ATOM 1223 CA ARG A 78 6.733 8.041 -11.175 1.00 0.00 C ATOM 1224 C ARG A 78 6.870 6.952 -10.109 1.00 0.00 C ATOM 1225 O ARG A 78 6.435 7.131 -8.972 1.00 0.00 O ATOM 1226 CB ARG A 78 8.109 8.647 -11.455 1.00 0.00 C ATOM 1227 CG ARG A 78 7.998 9.848 -12.397 1.00 0.00 C ATOM 1228 CD ARG A 78 7.798 11.145 -11.608 1.00 0.00 C ATOM 1229 NE ARG A 78 8.573 12.241 -12.231 1.00 0.00 N ATOM 1230 CZ ARG A 78 9.920 12.333 -12.189 1.00 0.00 C ATOM 1231 NH1 ARG A 78 10.652 11.395 -11.552 1.00 0.00 N ATOM 1232 NH2 ARG A 78 10.509 13.356 -12.781 1.00 0.00 N ATOM 0 H ARG A 78 5.801 9.243 -9.733 1.00 0.00 H new ATOM 0 HA ARG A 78 6.346 7.606 -12.097 1.00 0.00 H new ATOM 0 HB2 ARG A 78 8.571 8.957 -10.518 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.760 7.892 -11.897 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.900 9.923 -13.005 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.163 9.702 -13.082 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.740 11.405 -11.583 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.117 11.005 -10.575 1.00 0.00 H new ATOM 0 HE ARG A 78 8.058 12.972 -12.722 1.00 0.00 H new ATOM 0 HH11 ARG A 78 10.189 10.608 -11.097 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.669 11.473 -11.525 1.00 0.00 H new ATOM 0 HH21 ARG A 78 9.948 14.060 -13.260 1.00 0.00 H new ATOM 0 HH22 ARG A 78 11.525 13.442 -12.759 1.00 0.00 H new ATOM 1245 N TYR A 79 7.477 5.845 -10.514 1.00 0.00 N ATOM 1246 CA TYR A 79 7.677 4.727 -9.609 1.00 0.00 C ATOM 1247 C TYR A 79 9.166 4.484 -9.358 1.00 0.00 C ATOM 1248 O TYR A 79 9.966 4.492 -10.293 1.00 0.00 O ATOM 1249 CB TYR A 79 7.083 3.504 -10.312 1.00 0.00 C ATOM 1250 CG TYR A 79 5.629 3.216 -9.937 1.00 0.00 C ATOM 1251 CD1 TYR A 79 4.761 4.258 -9.689 1.00 0.00 C ATOM 1252 CD2 TYR A 79 5.186 1.912 -9.847 1.00 0.00 C ATOM 1253 CE1 TYR A 79 3.391 3.986 -9.335 1.00 0.00 C ATOM 1254 CE2 TYR A 79 3.817 1.640 -9.494 1.00 0.00 C ATOM 1255 CZ TYR A 79 2.987 2.691 -9.255 1.00 0.00 C ATOM 1256 OH TYR A 79 1.693 2.434 -8.921 1.00 0.00 O ATOM 0 H TYR A 79 7.837 5.699 -11.457 1.00 0.00 H new ATOM 0 HA TYR A 79 7.207 4.924 -8.645 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.147 3.651 -11.390 1.00 0.00 H new ATOM 0 HB3 TYR A 79 7.689 2.630 -10.073 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.108 5.278 -9.760 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.866 1.096 -10.041 1.00 0.00 H new ATOM 0 HE1 TYR A 79 2.701 4.793 -9.138 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.457 0.624 -9.421 1.00 0.00 H new ATOM 0 HH TYR A 79 1.654 1.637 -8.353 1.00 0.00 H new ATOM 1266 N MET A 80 9.493 4.273 -8.091 1.00 0.00 N ATOM 1267 CA MET A 80 10.873 4.027 -7.705 1.00 0.00 C ATOM 1268 C MET A 80 11.091 2.552 -7.358 1.00 0.00 C ATOM 1269 O MET A 80 10.365 1.990 -6.539 1.00 0.00 O ATOM 1270 CB MET A 80 11.227 4.894 -6.497 1.00 0.00 C ATOM 1271 CG MET A 80 12.682 4.677 -6.073 1.00 0.00 C ATOM 1272 SD MET A 80 13.537 6.242 -6.003 1.00 0.00 S ATOM 1273 CE MET A 80 15.081 5.785 -6.774 1.00 0.00 C ATOM 0 H MET A 80 8.827 4.267 -7.319 1.00 0.00 H new ATOM 0 HA MET A 80 11.517 4.281 -8.547 1.00 0.00 H new ATOM 0 HB2 MET A 80 11.068 5.945 -6.740 1.00 0.00 H new ATOM 0 HB3 MET A 80 10.563 4.655 -5.666 1.00 0.00 H new ATOM 0 HG2 MET A 80 12.717 4.190 -5.098 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.180 4.012 -6.779 1.00 0.00 H new ATOM 0 HE1 MET A 80 15.739 6.653 -6.812 1.00 0.00 H new ATOM 0 HE2 MET A 80 15.557 4.994 -6.195 1.00 0.00 H new ATOM 0 HE3 MET A 80 14.891 5.429 -7.786 1.00 0.00 H new ATOM 1283 N ASP A 81 12.093 1.969 -7.998 1.00 0.00 N ATOM 1284 CA ASP A 81 12.417 0.571 -7.765 1.00 0.00 C ATOM 1285 C ASP A 81 13.497 0.475 -6.686 1.00 0.00 C ATOM 1286 O ASP A 81 13.875 1.482 -6.090 1.00 0.00 O ATOM 1287 CB ASP A 81 12.958 -0.088 -9.036 1.00 0.00 C ATOM 1288 CG ASP A 81 14.369 0.345 -9.439 1.00 0.00 C ATOM 1289 OD1 ASP A 81 15.085 0.991 -8.659 1.00 0.00 O ATOM 1290 OD2 ASP A 81 14.730 -0.010 -10.625 1.00 0.00 O ATOM 0 H ASP A 81 12.692 2.438 -8.678 1.00 0.00 H new ATOM 0 HA ASP A 81 11.505 0.061 -7.454 1.00 0.00 H new ATOM 0 HB2 ASP A 81 12.952 -1.169 -8.897 1.00 0.00 H new ATOM 0 HB3 ASP A 81 12.278 0.132 -9.859 1.00 0.00 H new ATOM 1296 N ASN A 82 13.963 -0.746 -6.467 1.00 0.00 N ATOM 1297 CA ASN A 82 14.991 -0.987 -5.470 1.00 0.00 C ATOM 1298 C ASN A 82 16.308 -1.322 -6.174 1.00 0.00 C ATOM 1299 O ASN A 82 17.334 -1.508 -5.522 1.00 0.00 O ATOM 1300 CB ASN A 82 14.622 -2.168 -4.571 1.00 0.00 C ATOM 1301 CG ASN A 82 14.552 -1.739 -3.104 1.00 0.00 C ATOM 1302 OD1 ASN A 82 13.961 -0.733 -2.752 1.00 0.00 O ATOM 1303 ND2 ASN A 82 15.188 -2.558 -2.271 1.00 0.00 N ATOM 0 H ASN A 82 13.647 -1.579 -6.964 1.00 0.00 H new ATOM 0 HA ASN A 82 15.088 -0.088 -4.861 1.00 0.00 H new ATOM 0 HB2 ASN A 82 13.661 -2.578 -4.880 1.00 0.00 H new ATOM 0 HB3 ASN A 82 15.360 -2.962 -4.687 1.00 0.00 H new ATOM 0 HD21 ASN A 82 15.200 -2.359 -1.271 1.00 0.00 H new ATOM 0 HD22 ASN A 82 15.664 -3.385 -2.633 1.00 0.00 H new ATOM 1310 N ASN A 83 16.236 -1.389 -7.495 1.00 0.00 N ATOM 1311 CA ASN A 83 17.409 -1.700 -8.294 1.00 0.00 C ATOM 1312 C ASN A 83 18.253 -0.435 -8.465 1.00 0.00 C ATOM 1313 O ASN A 83 19.331 -0.479 -9.056 1.00 0.00 O ATOM 1314 CB ASN A 83 17.012 -2.195 -9.686 1.00 0.00 C ATOM 1315 CG ASN A 83 18.045 -3.185 -10.231 1.00 0.00 C ATOM 1316 OD1 ASN A 83 17.515 -4.298 -10.731 1.00 0.00 O flip ATOM 1317 ND2 ASN A 83 19.242 -2.952 -10.201 1.00 0.00 N flip ATOM 0 H ASN A 83 15.383 -1.233 -8.032 1.00 0.00 H new ATOM 0 HA ASN A 83 17.970 -2.481 -7.780 1.00 0.00 H new ATOM 0 HB2 ASN A 83 16.033 -2.673 -9.641 1.00 0.00 H new ATOM 0 HB3 ASN A 83 16.922 -1.347 -10.365 1.00 0.00 H new ATOM 0 HD21 ASN A 83 19.581 -2.077 -9.802 1.00 0.00 H new ATOM 0 HD22 ASN A 83 19.904 -3.633 -10.575 1.00 0.00 H new ATOM 1324 N SER A 84 17.732 0.662 -7.937 1.00 0.00 N ATOM 1325 CA SER A 84 18.424 1.937 -8.022 1.00 0.00 C ATOM 1326 C SER A 84 18.046 2.651 -9.321 1.00 0.00 C ATOM 1327 O SER A 84 18.896 3.262 -9.967 1.00 0.00 O ATOM 1328 CB SER A 84 19.941 1.745 -7.943 1.00 0.00 C ATOM 1329 OG SER A 84 20.590 2.870 -7.359 1.00 0.00 O ATOM 0 H SER A 84 16.837 0.695 -7.448 1.00 0.00 H new ATOM 0 HA SER A 84 18.118 2.551 -7.175 1.00 0.00 H new ATOM 0 HB2 SER A 84 20.164 0.853 -7.357 1.00 0.00 H new ATOM 0 HB3 SER A 84 20.338 1.576 -8.944 1.00 0.00 H new ATOM 0 HG SER A 84 21.556 2.709 -7.325 1.00 0.00 H new ATOM 1335 N ARG A 85 16.771 2.551 -9.664 1.00 0.00 N ATOM 1336 CA ARG A 85 16.270 3.181 -10.874 1.00 0.00 C ATOM 1337 C ARG A 85 14.857 3.722 -10.645 1.00 0.00 C ATOM 1338 O ARG A 85 14.097 3.167 -9.854 1.00 0.00 O ATOM 1339 CB ARG A 85 16.246 2.192 -12.042 1.00 0.00 C ATOM 1340 CG ARG A 85 17.454 1.253 -11.989 1.00 0.00 C ATOM 1341 CD ARG A 85 17.305 0.112 -12.997 1.00 0.00 C ATOM 1342 NE ARG A 85 18.331 -0.924 -12.743 1.00 0.00 N ATOM 1343 CZ ARG A 85 18.771 -1.798 -13.673 1.00 0.00 C ATOM 1344 NH1 ARG A 85 18.277 -1.767 -14.929 1.00 0.00 N ATOM 1345 NH2 ARG A 85 19.690 -2.683 -13.335 1.00 0.00 N ATOM 0 H ARG A 85 16.069 2.043 -9.125 1.00 0.00 H new ATOM 0 HA ARG A 85 16.942 4.002 -11.122 1.00 0.00 H new ATOM 0 HB2 ARG A 85 15.326 1.609 -12.011 1.00 0.00 H new ATOM 0 HB3 ARG A 85 16.246 2.738 -12.986 1.00 0.00 H new ATOM 0 HG2 ARG A 85 18.365 1.814 -12.201 1.00 0.00 H new ATOM 0 HG3 ARG A 85 17.558 0.844 -10.984 1.00 0.00 H new ATOM 0 HD2 ARG A 85 16.309 -0.324 -12.921 1.00 0.00 H new ATOM 0 HD3 ARG A 85 17.408 0.496 -14.012 1.00 0.00 H new ATOM 0 HE ARG A 85 18.731 -0.981 -11.806 1.00 0.00 H new ATOM 0 HH11 ARG A 85 17.566 -1.080 -15.181 1.00 0.00 H new ATOM 0 HH12 ARG A 85 18.614 -2.431 -15.626 1.00 0.00 H new ATOM 0 HH21 ARG A 85 20.057 -2.699 -12.383 1.00 0.00 H new ATOM 0 HH22 ARG A 85 20.033 -3.351 -14.025 1.00 0.00 H new ATOM 1358 N LEU A 86 14.548 4.800 -11.353 1.00 0.00 N ATOM 1359 CA LEU A 86 13.240 5.420 -11.237 1.00 0.00 C ATOM 1360 C LEU A 86 12.497 5.284 -12.568 1.00 0.00 C ATOM 1361 O LEU A 86 12.968 5.763 -13.599 1.00 0.00 O ATOM 1362 CB LEU A 86 13.374 6.866 -10.753 1.00 0.00 C ATOM 1363 CG LEU A 86 12.118 7.485 -10.137 1.00 0.00 C ATOM 1364 CD1 LEU A 86 10.974 7.532 -11.153 1.00 0.00 C ATOM 1365 CD2 LEU A 86 11.716 6.751 -8.856 1.00 0.00 C ATOM 0 H LEU A 86 15.181 5.259 -12.008 1.00 0.00 H new ATOM 0 HA LEU A 86 12.641 4.909 -10.483 1.00 0.00 H new ATOM 0 HB2 LEU A 86 14.175 6.909 -10.015 1.00 0.00 H new ATOM 0 HB3 LEU A 86 13.683 7.483 -11.596 1.00 0.00 H new ATOM 0 HG LEU A 86 12.346 8.514 -9.861 1.00 0.00 H new ATOM 0 HD11 LEU A 86 10.093 7.976 -10.689 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.274 8.133 -12.011 1.00 0.00 H new ATOM 0 HD13 LEU A 86 10.739 6.520 -11.483 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.820 7.211 -8.439 1.00 0.00 H new ATOM 0 HD22 LEU A 86 11.513 5.705 -9.085 1.00 0.00 H new ATOM 0 HD23 LEU A 86 12.527 6.813 -8.131 1.00 0.00 H new ATOM 1377 N TRP A 87 11.347 4.629 -12.503 1.00 0.00 N ATOM 1378 CA TRP A 87 10.535 4.423 -13.690 1.00 0.00 C ATOM 1379 C TRP A 87 9.478 5.530 -13.738 1.00 0.00 C ATOM 1380 O TRP A 87 8.852 5.839 -12.725 1.00 0.00 O ATOM 1381 CB TRP A 87 9.929 3.018 -13.704 1.00 0.00 C ATOM 1382 CG TRP A 87 10.966 1.894 -13.647 1.00 0.00 C ATOM 1383 CD1 TRP A 87 11.986 1.754 -12.788 1.00 0.00 C ATOM 1384 CD2 TRP A 87 11.043 0.751 -14.524 1.00 0.00 C ATOM 1385 NE1 TRP A 87 12.711 0.609 -13.047 1.00 0.00 N ATOM 1386 CE2 TRP A 87 12.119 -0.020 -14.136 1.00 0.00 C ATOM 1387 CE3 TRP A 87 10.229 0.381 -15.610 1.00 0.00 C ATOM 1388 CZ2 TRP A 87 12.481 -1.211 -14.779 1.00 0.00 C ATOM 1389 CZ3 TRP A 87 10.605 -0.811 -16.241 1.00 0.00 C ATOM 1390 CH2 TRP A 87 11.685 -1.599 -15.863 1.00 0.00 C ATOM 0 H TRP A 87 10.958 4.234 -11.647 1.00 0.00 H new ATOM 0 HA TRP A 87 11.146 4.485 -14.590 1.00 0.00 H new ATOM 0 HB2 TRP A 87 9.251 2.917 -12.856 1.00 0.00 H new ATOM 0 HB3 TRP A 87 9.330 2.901 -14.607 1.00 0.00 H new ATOM 0 HD1 TRP A 87 12.212 2.450 -11.993 1.00 0.00 H new ATOM 0 HE1 TRP A 87 13.530 0.284 -12.534 1.00 0.00 H new ATOM 0 HE3 TRP A 87 9.382 0.969 -15.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 13.328 -1.798 -14.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 10.013 -1.142 -17.082 1.00 0.00 H new ATOM 0 HH2 TRP A 87 11.909 -2.507 -16.403 1.00 0.00 H new ATOM 1401 N GLN A 88 9.313 6.095 -14.924 1.00 0.00 N ATOM 1402 CA GLN A 88 8.344 7.160 -15.118 1.00 0.00 C ATOM 1403 C GLN A 88 6.998 6.579 -15.556 1.00 0.00 C ATOM 1404 O GLN A 88 6.924 5.849 -16.544 1.00 0.00 O ATOM 1405 CB GLN A 88 8.853 8.189 -16.129 1.00 0.00 C ATOM 1406 CG GLN A 88 7.696 9.000 -16.716 1.00 0.00 C ATOM 1407 CD GLN A 88 8.082 10.473 -16.871 1.00 0.00 C ATOM 1408 OE1 GLN A 88 7.729 11.321 -16.068 1.00 0.00 O ATOM 1409 NE2 GLN A 88 8.824 10.727 -17.944 1.00 0.00 N ATOM 0 H GLN A 88 9.834 5.835 -15.761 1.00 0.00 H new ATOM 0 HA GLN A 88 8.204 7.674 -14.167 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.563 8.860 -15.645 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.390 7.682 -16.931 1.00 0.00 H new ATOM 0 HG2 GLN A 88 7.415 8.590 -17.686 1.00 0.00 H new ATOM 0 HG3 GLN A 88 6.823 8.915 -16.069 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.084 9.969 -18.575 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.134 11.680 -18.136 1.00 0.00 H new ATOM 1418 N ILE A 89 5.965 6.925 -14.801 1.00 0.00 N ATOM 1419 CA ILE A 89 4.627 6.446 -15.098 1.00 0.00 C ATOM 1420 C ILE A 89 4.180 7.000 -16.452 1.00 0.00 C ATOM 1421 O ILE A 89 3.523 8.039 -16.515 1.00 0.00 O ATOM 1422 CB ILE A 89 3.671 6.779 -13.951 1.00 0.00 C ATOM 1423 CG1 ILE A 89 4.070 6.042 -12.672 1.00 0.00 C ATOM 1424 CG2 ILE A 89 2.220 6.497 -14.347 1.00 0.00 C ATOM 1425 CD1 ILE A 89 3.575 4.594 -12.697 1.00 0.00 C ATOM 0 H ILE A 89 6.029 7.532 -13.984 1.00 0.00 H new ATOM 0 HA ILE A 89 4.622 5.359 -15.181 1.00 0.00 H new ATOM 0 HB ILE A 89 3.746 7.846 -13.743 1.00 0.00 H new ATOM 0 HG12 ILE A 89 5.154 6.058 -12.562 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.654 6.557 -11.806 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.561 6.742 -13.514 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.954 7.106 -15.211 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.110 5.442 -14.598 1.00 0.00 H new ATOM 0 HD11 ILE A 89 3.872 4.092 -11.776 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.488 4.582 -12.783 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.012 4.075 -13.550 1.00 0.00 H new ATOM 1437 N GLN A 90 4.554 6.285 -17.502 1.00 0.00 N ATOM 1438 CA GLN A 90 4.200 6.693 -18.851 1.00 0.00 C ATOM 1439 C GLN A 90 2.716 7.056 -18.923 1.00 0.00 C ATOM 1440 O GLN A 90 2.353 8.092 -19.479 1.00 0.00 O ATOM 1441 CB GLN A 90 4.547 5.599 -19.863 1.00 0.00 C ATOM 1442 CG GLN A 90 5.821 5.949 -20.633 1.00 0.00 C ATOM 1443 CD GLN A 90 5.508 6.841 -21.836 1.00 0.00 C ATOM 1444 OE1 GLN A 90 4.377 6.960 -22.275 1.00 0.00 O ATOM 1445 NE2 GLN A 90 6.572 7.460 -22.342 1.00 0.00 N ATOM 0 H GLN A 90 5.099 5.425 -17.446 1.00 0.00 H new ATOM 0 HA GLN A 90 4.783 7.578 -19.107 1.00 0.00 H new ATOM 0 HB2 GLN A 90 4.680 4.649 -19.346 1.00 0.00 H new ATOM 0 HB3 GLN A 90 3.720 5.469 -20.561 1.00 0.00 H new ATOM 0 HG2 GLN A 90 6.522 6.458 -19.971 1.00 0.00 H new ATOM 0 HG3 GLN A 90 6.309 5.035 -20.971 1.00 0.00 H new ATOM 0 HE21 GLN A 90 7.492 7.316 -21.925 1.00 0.00 H new ATOM 0 HE22 GLN A 90 6.468 8.079 -23.146 1.00 0.00 H new ATOM 1454 N HIS A 91 1.897 6.184 -18.354 1.00 0.00 N ATOM 1455 CA HIS A 91 0.460 6.400 -18.347 1.00 0.00 C ATOM 1456 C HIS A 91 -0.214 5.337 -17.479 1.00 0.00 C ATOM 1457 O HIS A 91 0.145 4.162 -17.538 1.00 0.00 O ATOM 1458 CB HIS A 91 -0.091 6.437 -19.775 1.00 0.00 C ATOM 1459 CG HIS A 91 -0.727 5.142 -20.220 1.00 0.00 C ATOM 1460 ND1 HIS A 91 -1.641 4.340 -19.603 1.00 0.00 N flip ATOM 1461 CD2 HIS A 91 -0.437 4.544 -21.434 1.00 0.00 C flip ATOM 1462 CE1 HIS A 91 -1.896 3.306 -20.397 1.00 0.00 C flip ATOM 1463 NE2 HIS A 91 -1.150 3.431 -21.533 1.00 0.00 N flip ATOM 0 H HIS A 91 2.201 5.326 -17.894 1.00 0.00 H new ATOM 0 HA HIS A 91 0.237 7.373 -17.908 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.828 7.236 -19.849 1.00 0.00 H new ATOM 0 HB3 HIS A 91 0.719 6.687 -20.460 1.00 0.00 H new ATOM 0 HD2 HIS A 91 0.253 4.920 -22.175 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.581 2.500 -20.179 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.142 2.782 -22.320 1.00 0.00 H new ATOM 1471 N HIS A 92 -1.181 5.788 -16.692 1.00 0.00 N ATOM 1472 CA HIS A 92 -1.909 4.889 -15.813 1.00 0.00 C ATOM 1473 C HIS A 92 -3.412 5.148 -15.944 1.00 0.00 C ATOM 1474 O HIS A 92 -3.894 6.221 -15.583 1.00 0.00 O ATOM 1475 CB HIS A 92 -1.410 5.016 -14.372 1.00 0.00 C ATOM 1476 CG HIS A 92 -2.207 4.211 -13.373 1.00 0.00 C ATOM 1477 ND1 HIS A 92 -2.425 2.868 -13.281 1.00 0.00 N flip ATOM 1478 CD2 HIS A 92 -2.888 4.791 -12.316 1.00 0.00 C flip ATOM 1479 CE1 HIS A 92 -3.196 2.640 -12.224 1.00 0.00 C flip ATOM 1480 NE2 HIS A 92 -3.485 3.831 -11.626 1.00 0.00 N flip ATOM 0 H HIS A 92 -1.477 6.763 -16.645 1.00 0.00 H new ATOM 0 HA HIS A 92 -1.726 3.857 -16.111 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -0.368 4.699 -14.330 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -1.436 6.066 -14.081 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -2.926 5.847 -12.092 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -3.538 1.671 -11.893 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -4.060 3.960 -10.793 1.00 0.00 H new ATOM 1488 N LEU A 93 -4.109 4.149 -16.462 1.00 0.00 N ATOM 1489 CA LEU A 93 -5.547 4.255 -16.646 1.00 0.00 C ATOM 1490 C LEU A 93 -6.168 2.857 -16.598 1.00 0.00 C ATOM 1491 O LEU A 93 -5.492 1.885 -16.267 1.00 0.00 O ATOM 1492 CB LEU A 93 -5.867 5.025 -17.929 1.00 0.00 C ATOM 1493 CG LEU A 93 -4.898 4.819 -19.095 1.00 0.00 C ATOM 1494 CD1 LEU A 93 -5.656 4.525 -20.391 1.00 0.00 C ATOM 1495 CD2 LEU A 93 -3.955 6.015 -19.242 1.00 0.00 C ATOM 0 H LEU A 93 -3.705 3.261 -16.761 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.993 4.831 -15.835 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.867 4.742 -18.259 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -5.899 6.089 -17.692 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.281 3.947 -18.877 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.944 4.383 -21.204 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.251 3.620 -20.267 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -6.313 5.362 -20.626 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.277 5.843 -20.078 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -4.538 6.917 -19.427 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -3.378 6.138 -18.326 1.00 0.00 H new ATOM 1507 N MET A 94 -7.448 2.802 -16.934 1.00 0.00 N ATOM 1508 CA MET A 94 -8.167 1.540 -16.933 1.00 0.00 C ATOM 1509 C MET A 94 -8.877 1.312 -18.269 1.00 0.00 C ATOM 1510 O MET A 94 -9.534 2.213 -18.788 1.00 0.00 O ATOM 1511 CB MET A 94 -9.198 1.540 -15.801 1.00 0.00 C ATOM 1512 CG MET A 94 -10.290 0.498 -16.054 1.00 0.00 C ATOM 1513 SD MET A 94 -10.975 -0.057 -14.503 1.00 0.00 S ATOM 1514 CE MET A 94 -9.942 -1.481 -14.198 1.00 0.00 C ATOM 0 H MET A 94 -8.006 3.611 -17.209 1.00 0.00 H new ATOM 0 HA MET A 94 -7.448 0.735 -16.782 1.00 0.00 H new ATOM 0 HB2 MET A 94 -8.703 1.330 -14.853 1.00 0.00 H new ATOM 0 HB3 MET A 94 -9.647 2.529 -15.714 1.00 0.00 H new ATOM 0 HG2 MET A 94 -11.076 0.927 -16.676 1.00 0.00 H new ATOM 0 HG3 MET A 94 -9.876 -0.349 -16.602 1.00 0.00 H new ATOM 0 HE1 MET A 94 -10.556 -2.381 -14.190 1.00 0.00 H new ATOM 0 HE2 MET A 94 -9.191 -1.561 -14.984 1.00 0.00 H new ATOM 0 HE3 MET A 94 -9.447 -1.371 -13.233 1.00 0.00 H new ATOM 1524 N VAL A 95 -8.720 0.102 -18.788 1.00 0.00 N ATOM 1525 CA VAL A 95 -9.338 -0.255 -20.053 1.00 0.00 C ATOM 1526 C VAL A 95 -9.995 -1.631 -19.925 1.00 0.00 C ATOM 1527 O VAL A 95 -9.423 -2.542 -19.328 1.00 0.00 O ATOM 1528 CB VAL A 95 -8.303 -0.191 -21.178 1.00 0.00 C ATOM 1529 CG1 VAL A 95 -8.837 -0.844 -22.453 1.00 0.00 C ATOM 1530 CG2 VAL A 95 -7.870 1.253 -21.442 1.00 0.00 C ATOM 0 H VAL A 95 -8.174 -0.643 -18.355 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.122 0.458 -20.309 1.00 0.00 H new ATOM 0 HB VAL A 95 -7.425 -0.752 -20.857 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.081 -0.784 -23.236 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.073 -1.890 -22.255 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -9.738 -0.324 -22.778 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -7.134 1.271 -22.246 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.738 1.846 -21.731 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.429 1.672 -20.537 1.00 0.00 H new ATOM 1540 N ARG A 96 -11.187 -1.738 -20.493 1.00 0.00 N ATOM 1541 CA ARG A 96 -11.927 -2.988 -20.450 1.00 0.00 C ATOM 1542 C ARG A 96 -11.952 -3.541 -19.024 1.00 0.00 C ATOM 1543 O ARG A 96 -11.855 -4.750 -18.822 1.00 0.00 O ATOM 1544 CB ARG A 96 -11.305 -4.029 -21.383 1.00 0.00 C ATOM 1545 CG ARG A 96 -11.653 -3.734 -22.844 1.00 0.00 C ATOM 1546 CD ARG A 96 -12.954 -4.430 -23.248 1.00 0.00 C ATOM 1547 NE ARG A 96 -14.116 -3.644 -22.778 1.00 0.00 N ATOM 1548 CZ ARG A 96 -14.637 -2.592 -23.444 1.00 0.00 C ATOM 1549 NH1 ARG A 96 -14.102 -2.190 -24.617 1.00 0.00 N ATOM 1550 NH2 ARG A 96 -15.678 -1.961 -22.932 1.00 0.00 N ATOM 0 H ARG A 96 -11.659 -0.980 -20.986 1.00 0.00 H new ATOM 0 HA ARG A 96 -12.945 -2.782 -20.781 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.222 -4.034 -21.257 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -11.662 -5.023 -21.114 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.752 -2.658 -22.988 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.841 -4.069 -23.490 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.995 -4.542 -24.331 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -12.987 -5.433 -22.822 1.00 0.00 H new ATOM 0 HE ARG A 96 -14.551 -3.914 -21.896 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.298 -2.682 -25.006 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -14.502 -1.394 -25.114 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -16.077 -2.270 -22.046 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -16.083 -1.164 -23.423 1.00 0.00 H new ATOM 1563 N GLY A 97 -12.083 -2.629 -18.072 1.00 0.00 N ATOM 1564 CA GLY A 97 -12.123 -3.010 -16.671 1.00 0.00 C ATOM 1565 C GLY A 97 -10.768 -3.554 -16.211 1.00 0.00 C ATOM 1566 O GLY A 97 -10.696 -4.325 -15.256 1.00 0.00 O ATOM 0 H GLY A 97 -12.163 -1.627 -18.244 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -12.398 -2.148 -16.064 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -12.893 -3.766 -16.518 1.00 0.00 H new ATOM 1570 N VAL A 98 -9.727 -3.129 -16.913 1.00 0.00 N ATOM 1571 CA VAL A 98 -8.379 -3.564 -16.590 1.00 0.00 C ATOM 1572 C VAL A 98 -7.471 -2.340 -16.462 1.00 0.00 C ATOM 1573 O VAL A 98 -7.480 -1.463 -17.324 1.00 0.00 O ATOM 1574 CB VAL A 98 -7.888 -4.567 -17.635 1.00 0.00 C ATOM 1575 CG1 VAL A 98 -6.371 -4.475 -17.813 1.00 0.00 C ATOM 1576 CG2 VAL A 98 -8.312 -5.992 -17.270 1.00 0.00 C ATOM 0 H VAL A 98 -9.790 -2.488 -17.704 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.364 -4.082 -15.631 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.353 -4.313 -18.587 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -6.048 -5.199 -18.561 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -6.103 -3.470 -18.140 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.880 -4.690 -16.864 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.950 -6.685 -18.029 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -7.889 -6.261 -16.302 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -9.399 -6.046 -17.218 1.00 0.00 H new ATOM 1586 N GLN A 99 -6.706 -2.320 -15.379 1.00 0.00 N ATOM 1587 CA GLN A 99 -5.792 -1.219 -15.128 1.00 0.00 C ATOM 1588 C GLN A 99 -4.471 -1.447 -15.864 1.00 0.00 C ATOM 1589 O GLN A 99 -3.764 -2.416 -15.593 1.00 0.00 O ATOM 1590 CB GLN A 99 -5.559 -1.031 -13.627 1.00 0.00 C ATOM 1591 CG GLN A 99 -6.773 -0.384 -12.960 1.00 0.00 C ATOM 1592 CD GLN A 99 -7.054 -1.020 -11.597 1.00 0.00 C ATOM 1593 OE1 GLN A 99 -6.375 -1.933 -11.158 1.00 0.00 O ATOM 1594 NE2 GLN A 99 -8.088 -0.485 -10.954 1.00 0.00 N ATOM 0 H GLN A 99 -6.701 -3.049 -14.666 1.00 0.00 H new ATOM 0 HA GLN A 99 -6.244 -0.303 -15.509 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -5.357 -1.996 -13.163 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -4.678 -0.410 -13.467 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -6.598 0.685 -12.837 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -7.646 -0.493 -13.603 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -8.614 0.278 -11.380 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -8.355 -0.838 -10.035 1.00 0.00 H new ATOM 1603 N GLU A 100 -4.177 -0.538 -16.784 1.00 0.00 N ATOM 1604 CA GLU A 100 -2.954 -0.628 -17.561 1.00 0.00 C ATOM 1605 C GLU A 100 -1.975 0.468 -17.138 1.00 0.00 C ATOM 1606 O GLU A 100 -2.138 1.629 -17.512 1.00 0.00 O ATOM 1607 CB GLU A 100 -3.249 -0.552 -19.060 1.00 0.00 C ATOM 1608 CG GLU A 100 -2.030 -0.975 -19.882 1.00 0.00 C ATOM 1609 CD GLU A 100 -2.406 -2.048 -20.907 1.00 0.00 C ATOM 1610 OE1 GLU A 100 -3.243 -1.798 -21.786 1.00 0.00 O ATOM 1611 OE2 GLU A 100 -1.792 -3.174 -20.767 1.00 0.00 O ATOM 0 H GLU A 100 -4.766 0.264 -17.008 1.00 0.00 H new ATOM 0 HA GLU A 100 -2.492 -1.596 -17.365 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -4.095 -1.196 -19.301 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.536 0.465 -19.326 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -1.613 -0.108 -20.394 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -1.254 -1.357 -19.219 1.00 0.00 H new ATOM 1619 N LEU A 101 -0.978 0.063 -16.366 1.00 0.00 N ATOM 1620 CA LEU A 101 0.028 0.997 -15.889 1.00 0.00 C ATOM 1621 C LEU A 101 1.294 0.853 -16.735 1.00 0.00 C ATOM 1622 O LEU A 101 1.883 -0.226 -16.799 1.00 0.00 O ATOM 1623 CB LEU A 101 0.265 0.808 -14.390 1.00 0.00 C ATOM 1624 CG LEU A 101 0.777 2.036 -13.632 1.00 0.00 C ATOM 1625 CD1 LEU A 101 0.765 1.792 -12.121 1.00 0.00 C ATOM 1626 CD2 LEU A 101 2.160 2.453 -14.134 1.00 0.00 C ATOM 0 H LEU A 101 -0.845 -0.900 -16.058 1.00 0.00 H new ATOM 0 HA LEU A 101 -0.319 2.024 -16.007 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.670 0.487 -13.932 1.00 0.00 H new ATOM 0 HB3 LEU A 101 0.981 -0.003 -14.255 1.00 0.00 H new ATOM 0 HG LEU A 101 0.099 2.866 -13.830 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.133 2.679 -11.606 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -0.253 1.580 -11.795 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.406 0.943 -11.884 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.500 3.327 -13.579 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.863 1.633 -13.986 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.104 2.696 -15.195 1.00 0.00 H new ATOM 1638 N LEU A 102 1.676 1.955 -17.363 1.00 0.00 N ATOM 1639 CA LEU A 102 2.862 1.964 -18.203 1.00 0.00 C ATOM 1640 C LEU A 102 4.042 2.522 -17.404 1.00 0.00 C ATOM 1641 O LEU A 102 3.985 3.644 -16.906 1.00 0.00 O ATOM 1642 CB LEU A 102 2.589 2.719 -19.506 1.00 0.00 C ATOM 1643 CG LEU A 102 1.331 2.305 -20.271 1.00 0.00 C ATOM 1644 CD1 LEU A 102 1.528 2.465 -21.779 1.00 0.00 C ATOM 1645 CD2 LEU A 102 0.904 0.884 -19.896 1.00 0.00 C ATOM 0 H LEU A 102 1.186 2.848 -17.307 1.00 0.00 H new ATOM 0 HA LEU A 102 3.128 0.949 -18.499 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.518 3.783 -19.278 1.00 0.00 H new ATOM 0 HB3 LEU A 102 3.449 2.591 -20.164 1.00 0.00 H new ATOM 0 HG LEU A 102 0.520 2.972 -19.980 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.618 2.164 -22.299 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.749 3.507 -22.009 1.00 0.00 H new ATOM 0 HD13 LEU A 102 2.357 1.838 -22.106 1.00 0.00 H new ATOM 0 HD21 LEU A 102 0.007 0.614 -20.454 1.00 0.00 H new ATOM 0 HD22 LEU A 102 1.706 0.187 -20.139 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.694 0.837 -18.827 1.00 0.00 H new ATOM 1657 N LEU A 103 5.086 1.711 -17.309 1.00 0.00 N ATOM 1658 CA LEU A 103 6.279 2.108 -16.579 1.00 0.00 C ATOM 1659 C LEU A 103 7.434 2.298 -17.564 1.00 0.00 C ATOM 1660 O LEU A 103 7.739 1.403 -18.349 1.00 0.00 O ATOM 1661 CB LEU A 103 6.581 1.109 -15.461 1.00 0.00 C ATOM 1662 CG LEU A 103 5.753 1.260 -14.184 1.00 0.00 C ATOM 1663 CD1 LEU A 103 5.785 -0.025 -13.354 1.00 0.00 C ATOM 1664 CD2 LEU A 103 6.211 2.475 -13.375 1.00 0.00 C ATOM 0 H LEU A 103 5.131 0.781 -17.725 1.00 0.00 H new ATOM 0 HA LEU A 103 6.121 3.066 -16.083 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.431 0.102 -15.850 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.635 1.195 -15.199 1.00 0.00 H new ATOM 0 HG LEU A 103 4.715 1.434 -14.469 1.00 0.00 H new ATOM 0 HD11 LEU A 103 5.188 0.110 -12.452 1.00 0.00 H new ATOM 0 HD12 LEU A 103 5.375 -0.847 -13.941 1.00 0.00 H new ATOM 0 HD13 LEU A 103 6.814 -0.254 -13.078 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.606 2.560 -12.472 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.259 2.355 -13.100 1.00 0.00 H new ATOM 0 HD23 LEU A 103 6.095 3.377 -13.976 1.00 0.00 H new ATOM 1676 N LYS A 104 8.045 3.471 -17.489 1.00 0.00 N ATOM 1677 CA LYS A 104 9.160 3.791 -18.364 1.00 0.00 C ATOM 1678 C LYS A 104 10.419 4.009 -17.522 1.00 0.00 C ATOM 1679 O LYS A 104 10.421 4.828 -16.604 1.00 0.00 O ATOM 1680 CB LYS A 104 8.811 4.976 -19.266 1.00 0.00 C ATOM 1681 CG LYS A 104 9.778 5.069 -20.449 1.00 0.00 C ATOM 1682 CD LYS A 104 9.301 4.203 -21.617 1.00 0.00 C ATOM 1683 CE LYS A 104 8.659 5.062 -22.709 1.00 0.00 C ATOM 1684 NZ LYS A 104 8.721 4.370 -24.015 1.00 0.00 N ATOM 0 H LYS A 104 7.789 4.211 -16.836 1.00 0.00 H new ATOM 0 HA LYS A 104 9.366 2.958 -19.036 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.790 4.869 -19.634 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.847 5.900 -18.689 1.00 0.00 H new ATOM 0 HG2 LYS A 104 9.864 6.106 -20.772 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.772 4.749 -20.137 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.143 3.650 -22.032 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.582 3.466 -21.259 1.00 0.00 H new ATOM 0 HE2 LYS A 104 7.621 5.273 -22.451 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.172 6.021 -22.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 8.236 4.943 -24.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 9.715 4.236 -24.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 8.255 3.443 -23.939 1.00 0.00 H new ATOM 1697 N LEU A 105 11.459 3.262 -17.863 1.00 0.00 N ATOM 1698 CA LEU A 105 12.720 3.364 -17.151 1.00 0.00 C ATOM 1699 C LEU A 105 13.715 4.163 -17.996 1.00 0.00 C ATOM 1700 O LEU A 105 14.147 3.702 -19.052 1.00 0.00 O ATOM 1701 CB LEU A 105 13.225 1.976 -16.754 1.00 0.00 C ATOM 1702 CG LEU A 105 14.480 1.944 -15.878 1.00 0.00 C ATOM 1703 CD1 LEU A 105 14.287 2.782 -14.613 1.00 0.00 C ATOM 1704 CD2 LEU A 105 14.887 0.504 -15.556 1.00 0.00 C ATOM 0 H LEU A 105 11.453 2.583 -18.624 1.00 0.00 H new ATOM 0 HA LEU A 105 12.587 3.908 -16.216 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.425 1.457 -16.227 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.426 1.410 -17.664 1.00 0.00 H new ATOM 0 HG LEU A 105 15.300 2.393 -16.439 1.00 0.00 H new ATOM 0 HD11 LEU A 105 15.193 2.742 -14.008 1.00 0.00 H new ATOM 0 HD12 LEU A 105 14.080 3.816 -14.889 1.00 0.00 H new ATOM 0 HD13 LEU A 105 13.450 2.386 -14.038 1.00 0.00 H new ATOM 0 HD21 LEU A 105 15.781 0.509 -14.933 1.00 0.00 H new ATOM 0 HD22 LEU A 105 14.076 0.007 -15.023 1.00 0.00 H new ATOM 0 HD23 LEU A 105 15.094 -0.031 -16.483 1.00 0.00 H new ATOM 1716 N LEU A 106 14.049 5.345 -17.500 1.00 0.00 N ATOM 1717 CA LEU A 106 14.987 6.210 -18.196 1.00 0.00 C ATOM 1718 C LEU A 106 16.403 5.933 -17.687 1.00 0.00 C ATOM 1719 O LEU A 106 16.581 5.405 -16.591 1.00 0.00 O ATOM 1720 CB LEU A 106 14.562 7.674 -18.066 1.00 0.00 C ATOM 1721 CG LEU A 106 14.737 8.303 -16.682 1.00 0.00 C ATOM 1722 CD1 LEU A 106 14.753 9.831 -16.773 1.00 0.00 C ATOM 1723 CD2 LEU A 106 13.666 7.797 -15.712 1.00 0.00 C ATOM 0 H LEU A 106 13.687 5.724 -16.625 1.00 0.00 H new ATOM 0 HA LEU A 106 14.984 5.995 -19.265 1.00 0.00 H new ATOM 0 HB2 LEU A 106 15.132 8.262 -18.785 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.512 7.754 -18.349 1.00 0.00 H new ATOM 0 HG LEU A 106 15.704 7.994 -16.285 1.00 0.00 H new ATOM 0 HD11 LEU A 106 14.878 10.254 -15.776 1.00 0.00 H new ATOM 0 HD12 LEU A 106 15.579 10.149 -17.409 1.00 0.00 H new ATOM 0 HD13 LEU A 106 13.812 10.180 -17.199 1.00 0.00 H new ATOM 0 HD21 LEU A 106 13.812 8.259 -14.736 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.678 8.057 -16.092 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.744 6.714 -15.617 1.00 0.00 H new ATOM 1735 N PRO A 107 17.401 6.313 -18.530 1.00 0.00 N ATOM 1736 CA PRO A 107 18.796 6.111 -18.178 1.00 0.00 C ATOM 1737 C PRO A 107 19.248 7.129 -17.128 1.00 0.00 C ATOM 1738 O PRO A 107 19.064 8.332 -17.304 1.00 0.00 O ATOM 1739 CB PRO A 107 19.555 6.232 -19.489 1.00 0.00 C ATOM 1740 CG PRO A 107 18.620 6.954 -20.445 1.00 0.00 C ATOM 1741 CD PRO A 107 17.228 6.941 -19.837 1.00 0.00 C ATOM 0 HA PRO A 107 18.978 5.140 -17.718 1.00 0.00 H new ATOM 0 HB2 PRO A 107 20.482 6.789 -19.354 1.00 0.00 H new ATOM 0 HB3 PRO A 107 19.827 5.250 -19.875 1.00 0.00 H new ATOM 0 HG2 PRO A 107 18.956 7.978 -20.606 1.00 0.00 H new ATOM 0 HG3 PRO A 107 18.616 6.463 -21.418 1.00 0.00 H new ATOM 0 HD2 PRO A 107 16.828 7.950 -19.742 1.00 0.00 H new ATOM 0 HD3 PRO A 107 16.530 6.379 -20.457 1.00 0.00 H new ATOM 1749 N ASP A 108 19.832 6.608 -16.059 1.00 0.00 N ATOM 1750 CA ASP A 108 20.313 7.455 -14.981 1.00 0.00 C ATOM 1751 C ASP A 108 21.462 8.325 -15.496 1.00 0.00 C ATOM 1752 O ASP A 108 22.626 7.936 -15.411 1.00 0.00 O ATOM 1753 CB ASP A 108 20.840 6.618 -13.814 1.00 0.00 C ATOM 1754 CG ASP A 108 19.963 6.632 -12.561 1.00 0.00 C ATOM 1755 OD1 ASP A 108 18.768 6.303 -12.613 1.00 0.00 O ATOM 1756 OD2 ASP A 108 20.561 7.005 -11.480 1.00 0.00 O ATOM 0 H ASP A 108 19.983 5.609 -15.916 1.00 0.00 H new ATOM 0 HA ASP A 108 19.480 8.068 -14.637 1.00 0.00 H new ATOM 0 HB2 ASP A 108 20.954 5.587 -14.148 1.00 0.00 H new ATOM 0 HB3 ASP A 108 21.834 6.978 -13.548 1.00 0.00 H new ATOM 1762 N ASP A 109 21.095 9.487 -16.018 1.00 0.00 N ATOM 1763 CA ASP A 109 22.081 10.415 -16.545 1.00 0.00 C ATOM 1764 C ASP A 109 21.665 11.846 -16.198 1.00 0.00 C ATOM 1765 O ASP A 109 20.481 12.126 -16.022 1.00 0.00 O ATOM 1766 CB ASP A 109 22.180 10.307 -18.068 1.00 0.00 C ATOM 1767 CG ASP A 109 23.363 11.049 -18.693 1.00 0.00 C ATOM 1768 OD1 ASP A 109 23.226 12.189 -19.160 1.00 0.00 O ATOM 1769 OD2 ASP A 109 24.477 10.399 -18.689 1.00 0.00 O ATOM 0 H ASP A 109 20.129 9.806 -16.087 1.00 0.00 H new ATOM 0 HA ASP A 109 23.046 10.169 -16.103 1.00 0.00 H new ATOM 0 HB2 ASP A 109 22.247 9.253 -18.339 1.00 0.00 H new ATOM 0 HB3 ASP A 109 21.258 10.690 -18.505 1.00 0.00 H new ATOM 1775 N ARG A 110 22.662 12.714 -16.110 1.00 0.00 N ATOM 1776 CA ARG A 110 22.415 14.108 -15.787 1.00 0.00 C ATOM 1777 C ARG A 110 23.249 15.018 -16.691 1.00 0.00 C ATOM 1778 O ARG A 110 24.305 14.616 -17.178 1.00 0.00 O ATOM 1779 CB ARG A 110 22.753 14.403 -14.325 1.00 0.00 C ATOM 1780 CG ARG A 110 24.246 14.203 -14.055 1.00 0.00 C ATOM 1781 CD ARG A 110 24.476 13.580 -12.677 1.00 0.00 C ATOM 1782 NE ARG A 110 25.720 14.115 -12.081 1.00 0.00 N ATOM 1783 CZ ARG A 110 25.828 15.344 -11.534 1.00 0.00 C ATOM 1784 NH1 ARG A 110 24.767 16.177 -11.504 1.00 0.00 N ATOM 1785 NH2 ARG A 110 26.989 15.721 -11.030 1.00 0.00 N ATOM 0 H ARG A 110 23.643 12.478 -16.257 1.00 0.00 H new ATOM 0 HA ARG A 110 21.355 14.303 -15.949 1.00 0.00 H new ATOM 0 HB2 ARG A 110 22.470 15.427 -14.082 1.00 0.00 H new ATOM 0 HB3 ARG A 110 22.172 13.749 -13.675 1.00 0.00 H new ATOM 0 HG2 ARG A 110 24.675 13.561 -14.824 1.00 0.00 H new ATOM 0 HG3 ARG A 110 24.762 15.161 -14.115 1.00 0.00 H new ATOM 0 HD2 ARG A 110 23.629 13.795 -12.026 1.00 0.00 H new ATOM 0 HD3 ARG A 110 24.542 12.496 -12.766 1.00 0.00 H new ATOM 0 HE ARG A 110 26.547 13.518 -12.084 1.00 0.00 H new ATOM 0 HH11 ARG A 110 23.874 15.880 -11.897 1.00 0.00 H new ATOM 0 HH12 ARG A 110 24.858 17.104 -11.088 1.00 0.00 H new ATOM 0 HH21 ARG A 110 27.787 15.087 -11.058 1.00 0.00 H new ATOM 0 HH22 ARG A 110 27.087 16.647 -10.613 1.00 0.00 H new ATOM 1798 N SER A 111 22.745 16.227 -16.887 1.00 0.00 N ATOM 1799 CA SER A 111 23.431 17.197 -17.722 1.00 0.00 C ATOM 1800 C SER A 111 23.892 16.535 -19.022 1.00 0.00 C ATOM 1801 O SER A 111 25.047 16.132 -19.142 1.00 0.00 O ATOM 1802 CB SER A 111 24.624 17.812 -16.988 1.00 0.00 C ATOM 1803 OG SER A 111 24.953 19.104 -17.492 1.00 0.00 O ATOM 0 H SER A 111 21.869 16.557 -16.482 1.00 0.00 H new ATOM 0 HA SER A 111 22.732 17.999 -17.958 1.00 0.00 H new ATOM 0 HB2 SER A 111 24.397 17.885 -15.924 1.00 0.00 H new ATOM 0 HB3 SER A 111 25.488 17.154 -17.085 1.00 0.00 H new ATOM 0 HG SER A 111 25.718 19.463 -16.996 1.00 0.00 H new ATOM 1809 N PRO A 112 22.939 16.442 -19.989 1.00 0.00 N ATOM 1810 CA PRO A 112 23.237 15.836 -21.276 1.00 0.00 C ATOM 1811 C PRO A 112 24.075 16.774 -22.145 1.00 0.00 C ATOM 1812 O PRO A 112 24.177 17.966 -21.858 1.00 0.00 O ATOM 1813 CB PRO A 112 21.880 15.517 -21.883 1.00 0.00 C ATOM 1814 CG PRO A 112 20.875 16.374 -21.130 1.00 0.00 C ATOM 1815 CD PRO A 112 21.561 16.910 -19.883 1.00 0.00 C ATOM 0 HA PRO A 112 23.841 14.933 -21.186 1.00 0.00 H new ATOM 0 HB2 PRO A 112 21.866 15.744 -22.949 1.00 0.00 H new ATOM 0 HB3 PRO A 112 21.645 14.458 -21.780 1.00 0.00 H new ATOM 0 HG2 PRO A 112 20.528 17.195 -21.757 1.00 0.00 H new ATOM 0 HG3 PRO A 112 19.998 15.786 -20.860 1.00 0.00 H new ATOM 0 HD2 PRO A 112 21.514 17.998 -19.842 1.00 0.00 H new ATOM 0 HD3 PRO A 112 21.084 16.536 -18.977 1.00 0.00 H new ATOM 1823 N GLY A 113 24.656 16.202 -23.189 1.00 0.00 N ATOM 1824 CA GLY A 113 25.481 16.974 -24.103 1.00 0.00 C ATOM 1825 C GLY A 113 25.879 16.138 -25.321 1.00 0.00 C ATOM 1826 O GLY A 113 27.062 15.890 -25.549 1.00 0.00 O ATOM 0 H GLY A 113 24.572 15.213 -23.423 1.00 0.00 H new ATOM 0 HA2 GLY A 113 24.938 17.861 -24.428 1.00 0.00 H new ATOM 0 HA3 GLY A 113 26.376 17.320 -23.587 1.00 0.00 H new ATOM 1830 N ILE A 114 24.867 15.727 -26.071 1.00 0.00 N ATOM 1831 CA ILE A 114 25.097 14.924 -27.261 1.00 0.00 C ATOM 1832 C ILE A 114 25.005 15.818 -28.500 1.00 0.00 C ATOM 1833 O ILE A 114 23.928 16.310 -28.835 1.00 0.00 O ATOM 1834 CB ILE A 114 24.142 13.729 -27.293 1.00 0.00 C ATOM 1835 CG1 ILE A 114 24.321 12.850 -26.053 1.00 0.00 C ATOM 1836 CG2 ILE A 114 24.304 12.932 -28.588 1.00 0.00 C ATOM 1837 CD1 ILE A 114 25.604 12.022 -26.149 1.00 0.00 C ATOM 0 H ILE A 114 23.887 15.934 -25.878 1.00 0.00 H new ATOM 0 HA ILE A 114 26.101 14.500 -27.247 1.00 0.00 H new ATOM 0 HB ILE A 114 23.120 14.108 -27.274 1.00 0.00 H new ATOM 0 HG12 ILE A 114 24.353 13.476 -25.161 1.00 0.00 H new ATOM 0 HG13 ILE A 114 23.463 12.187 -25.946 1.00 0.00 H new ATOM 0 HG21 ILE A 114 23.614 12.088 -28.585 1.00 0.00 H new ATOM 0 HG22 ILE A 114 24.087 13.575 -29.441 1.00 0.00 H new ATOM 0 HG23 ILE A 114 25.327 12.563 -28.663 1.00 0.00 H new ATOM 0 HD11 ILE A 114 25.707 11.406 -25.255 1.00 0.00 H new ATOM 0 HD12 ILE A 114 25.558 11.380 -27.029 1.00 0.00 H new ATOM 0 HD13 ILE A 114 26.462 12.689 -26.231 1.00 0.00 H new ATOM 1849 N HIS A 115 26.147 16.000 -29.145 1.00 0.00 N ATOM 1850 CA HIS A 115 26.210 16.825 -30.339 1.00 0.00 C ATOM 1851 C HIS A 115 27.149 16.180 -31.360 1.00 0.00 C ATOM 1852 O HIS A 115 28.328 15.970 -31.078 1.00 0.00 O ATOM 1853 CB HIS A 115 26.609 18.260 -29.988 1.00 0.00 C ATOM 1854 CG HIS A 115 25.906 19.311 -30.813 1.00 0.00 C ATOM 1855 ND1 HIS A 115 25.945 19.328 -32.197 1.00 0.00 N ATOM 1856 CD2 HIS A 115 25.148 20.379 -30.436 1.00 0.00 C ATOM 1857 CE1 HIS A 115 25.239 20.366 -32.622 1.00 0.00 C ATOM 1858 NE2 HIS A 115 24.746 21.017 -31.529 1.00 0.00 N ATOM 0 H HIS A 115 27.037 15.590 -28.863 1.00 0.00 H new ATOM 0 HA HIS A 115 25.222 16.887 -30.795 1.00 0.00 H new ATOM 0 HB2 HIS A 115 26.397 18.438 -28.934 1.00 0.00 H new ATOM 0 HB3 HIS A 115 27.686 18.370 -30.119 1.00 0.00 H new ATOM 0 HD2 HIS A 115 24.914 20.659 -29.420 1.00 0.00 H new ATOM 0 HE1 HIS A 115 25.082 20.647 -33.653 1.00 0.00 H new ATOM 0 HE2 HIS A 115 24.165 21.855 -31.548 1.00 0.00 H new ATOM 1866 N ARG A 116 26.592 15.883 -32.525 1.00 0.00 N ATOM 1867 CA ARG A 116 27.366 15.268 -33.589 1.00 0.00 C ATOM 1868 C ARG A 116 28.475 16.214 -34.055 1.00 0.00 C ATOM 1869 O ARG A 116 28.272 17.424 -34.130 1.00 0.00 O ATOM 1870 CB ARG A 116 26.475 14.911 -34.781 1.00 0.00 C ATOM 1871 CG ARG A 116 26.751 13.485 -35.264 1.00 0.00 C ATOM 1872 CD ARG A 116 27.751 13.482 -36.422 1.00 0.00 C ATOM 1873 NE ARG A 116 28.527 12.221 -36.416 1.00 0.00 N ATOM 1874 CZ ARG A 116 29.223 11.756 -37.476 1.00 0.00 C ATOM 1875 NH1 ARG A 116 29.243 12.444 -38.637 1.00 0.00 N ATOM 1876 NH2 ARG A 116 29.882 10.618 -37.360 1.00 0.00 N ATOM 0 H ARG A 116 25.614 16.057 -32.755 1.00 0.00 H new ATOM 0 HA ARG A 116 27.808 14.354 -33.192 1.00 0.00 H new ATOM 0 HB2 ARG A 116 25.427 15.006 -34.498 1.00 0.00 H new ATOM 0 HB3 ARG A 116 26.651 15.615 -35.595 1.00 0.00 H new ATOM 0 HG2 ARG A 116 27.141 12.887 -34.440 1.00 0.00 H new ATOM 0 HG3 ARG A 116 25.819 13.018 -35.583 1.00 0.00 H new ATOM 0 HD2 ARG A 116 27.223 13.590 -37.370 1.00 0.00 H new ATOM 0 HD3 ARG A 116 28.425 14.334 -36.334 1.00 0.00 H new ATOM 0 HE ARG A 116 28.537 11.669 -35.558 1.00 0.00 H new ATOM 0 HH11 ARG A 116 28.730 13.322 -38.718 1.00 0.00 H new ATOM 0 HH12 ARG A 116 29.771 12.086 -39.433 1.00 0.00 H new ATOM 0 HH21 ARG A 116 29.861 10.104 -36.479 1.00 0.00 H new ATOM 0 HH22 ARG A 116 30.413 10.253 -38.151 1.00 0.00 H new ATOM 1889 N ASP A 117 29.623 15.626 -34.354 1.00 0.00 N ATOM 1890 CA ASP A 117 30.765 16.401 -34.811 1.00 0.00 C ATOM 1891 C ASP A 117 31.879 15.449 -35.251 1.00 0.00 C ATOM 1892 O ASP A 117 32.082 14.401 -34.641 1.00 0.00 O ATOM 1893 CB ASP A 117 31.314 17.285 -33.688 1.00 0.00 C ATOM 1894 CG ASP A 117 32.361 18.310 -34.127 1.00 0.00 C ATOM 1895 OD1 ASP A 117 32.025 19.430 -34.541 1.00 0.00 O ATOM 1896 OD2 ASP A 117 33.585 17.915 -34.031 1.00 0.00 O ATOM 0 H ASP A 117 29.788 14.622 -34.289 1.00 0.00 H new ATOM 0 HA ASP A 117 30.437 17.030 -35.639 1.00 0.00 H new ATOM 0 HB2 ASP A 117 30.482 17.814 -33.222 1.00 0.00 H new ATOM 0 HB3 ASP A 117 31.753 16.644 -32.923 1.00 0.00 H new TER 1902 ASP A 117