USER MOD reduce.3.24.130724 H: found=0, std=0, add=910, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 908 hydrogens (13 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 NoAdj-H: A 118 ALY H2 : A 118 ALY N : A 117 ALA C :(H bumps) USER MOD Set 1.1: A 7 ASN : amide:sc= -1.77 K(o=-10,f=-16!) USER MOD Set 1.2: A 115 TYR OH : rot 180:sc= 0.00035 USER MOD Set 1.3: A 116 ASN :FLIP amide:sc= -3.61! C(o=-16!,f=-10!) USER MOD Set 1.4: A 119 HIS : no HD1:sc= -5.08! C(o=-10!,f=-11!) USER MOD Set 2.1: A 62 SER OG : rot 91:sc= -4.13! USER MOD Set 2.2: A 70 ASN : amide:sc= -1.3 K(o=-5.4,f=-7.8!) USER MOD Set 3.1: A 5 TYR OH : rot 144:sc= 0.0913! USER MOD Set 3.2: A 55 GLN : amide:sc= 0.764 K(o=2.1,f=-6.1!) USER MOD Set 3.3: A 57 TYR OH : rot 148:sc= 1.26 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 150:sc= -0.178 USER MOD Single : A 10 THR OG1 : rot 70:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 16:sc= 0.337 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 MET CE :methyl -154:sc= -3.56! (180deg=-5.76!) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 24:sc= -1.02 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.511 K(o=0.51,f=-0.23) USER MOD Single : A 86 GLN : amide:sc= -0.0119 X(o=-0.012,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0477) USER MOD Single : A 101 THR OG1 : rot 98:sc= 0.566 USER MOD Single : A 105 SER OG : rot 180:sc= -0.108 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 125 ASN : amide:sc= -0.015 X(o=-0.015,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -18.278 -16.335 11.441 1.00 3.92 N ATOM 2 CA PRO A 1 -18.596 -15.642 12.720 1.00 3.44 C ATOM 3 C PRO A 1 -17.709 -14.406 12.893 1.00 3.50 C ATOM 4 O PRO A 1 -16.822 -14.151 12.103 1.00 4.94 O ATOM 5 CB PRO A 1 -18.281 -16.683 13.789 1.00 2.00 C ATOM 6 CG PRO A 1 -17.278 -17.588 13.154 1.00 4.99 C ATOM 7 CD PRO A 1 -17.575 -17.600 11.677 1.00 3.38 C ATOM 0 H2 PRO A 1 -17.702 -15.728 10.857 1.00 3.92 H new ATOM 0 H3 PRO A 1 -19.140 -16.514 10.926 1.00 3.92 H new ATOM 0 HA PRO A 1 -19.627 -15.291 12.766 1.00 3.44 H new ATOM 0 HB2 PRO A 1 -17.880 -16.217 14.689 1.00 2.00 H new ATOM 0 HB3 PRO A 1 -19.176 -17.230 14.085 1.00 2.00 H new ATOM 0 HG2 PRO A 1 -16.264 -17.234 13.341 1.00 4.99 H new ATOM 0 HG3 PRO A 1 -17.346 -18.593 13.570 1.00 4.99 H new ATOM 0 HD2 PRO A 1 -16.660 -17.663 11.087 1.00 3.38 H new ATOM 0 HD3 PRO A 1 -18.192 -18.456 11.402 1.00 3.38 H new ATOM 17 N THR A 2 -17.941 -13.640 13.924 1.00 3.08 N ATOM 18 CA THR A 2 -17.109 -12.424 14.150 1.00 2.08 C ATOM 19 C THR A 2 -15.935 -12.756 15.077 1.00 2.52 C ATOM 20 O THR A 2 -16.054 -13.560 15.980 1.00 2.28 O ATOM 21 CB THR A 2 -18.050 -11.417 14.814 1.00 3.47 C ATOM 22 OG1 THR A 2 -18.929 -10.878 13.837 1.00 3.73 O ATOM 23 CG2 THR A 2 -17.230 -10.289 15.444 1.00 3.09 C ATOM 0 H THR A 2 -18.670 -13.803 14.619 1.00 3.08 H new ATOM 0 HA THR A 2 -16.685 -12.034 13.225 1.00 2.08 H new ATOM 0 HB THR A 2 -18.631 -11.917 15.589 1.00 3.47 H new ATOM 0 HG1 THR A 2 -19.534 -10.234 14.261 1.00 3.73 H new ATOM 0 HG21 THR A 2 -17.901 -9.572 15.917 1.00 3.09 H new ATOM 0 HG22 THR A 2 -16.556 -10.704 16.193 1.00 3.09 H new ATOM 0 HG23 THR A 2 -16.648 -9.787 14.671 1.00 3.09 H new ATOM 31 N VAL A 3 -14.804 -12.144 14.859 1.00 10.00 N ATOM 32 CA VAL A 3 -13.625 -12.425 15.727 1.00 10.00 C ATOM 33 C VAL A 3 -12.854 -11.130 16.003 1.00 10.00 C ATOM 34 O VAL A 3 -13.244 -10.063 15.574 1.00 10.00 O ATOM 35 CB VAL A 3 -12.764 -13.406 14.925 1.00 10.00 C ATOM 36 CG1 VAL A 3 -11.749 -14.073 15.854 1.00 10.00 C ATOM 37 CG2 VAL A 3 -13.659 -14.477 14.297 1.00 10.00 C ATOM 0 H VAL A 3 -14.645 -11.462 14.118 1.00 10.00 H new ATOM 0 HA VAL A 3 -13.912 -12.836 16.695 1.00 10.00 H new ATOM 0 HB VAL A 3 -12.237 -12.865 14.139 1.00 10.00 H new ATOM 0 HG11 VAL A 3 -11.137 -14.771 15.283 1.00 10.00 H new ATOM 0 HG12 VAL A 3 -11.110 -13.312 16.301 1.00 10.00 H new ATOM 0 HG13 VAL A 3 -12.276 -14.613 16.641 1.00 10.00 H new ATOM 0 HG21 VAL A 3 -13.046 -15.175 13.726 1.00 10.00 H new ATOM 0 HG22 VAL A 3 -14.187 -15.017 15.083 1.00 10.00 H new ATOM 0 HG23 VAL A 3 -14.382 -14.003 13.633 1.00 10.00 H new ATOM 47 N GLU A 4 -11.764 -11.216 16.716 1.00 10.00 N ATOM 48 CA GLU A 4 -10.973 -9.986 17.019 1.00 10.00 C ATOM 49 C GLU A 4 -9.476 -10.306 17.025 1.00 10.00 C ATOM 50 O GLU A 4 -9.040 -11.266 17.630 1.00 10.00 O ATOM 51 CB GLU A 4 -11.435 -9.556 18.411 1.00 50.00 C ATOM 52 CG GLU A 4 -11.388 -8.031 18.517 1.00 50.00 C ATOM 53 CD GLU A 4 -12.142 -7.585 19.771 1.00 50.00 C ATOM 54 OE1 GLU A 4 -12.092 -8.303 20.756 1.00 50.00 O ATOM 55 OE2 GLU A 4 -12.757 -6.532 19.726 1.00 50.00 O ATOM 0 H GLU A 4 -11.387 -12.082 17.102 1.00 10.00 H new ATOM 0 HA GLU A 4 -11.125 -9.202 16.277 1.00 10.00 H new ATOM 0 HB2 GLU A 4 -12.448 -9.913 18.596 1.00 50.00 H new ATOM 0 HB3 GLU A 4 -10.796 -10.004 19.172 1.00 50.00 H new ATOM 0 HG2 GLU A 4 -10.354 -7.690 18.561 1.00 50.00 H new ATOM 0 HG3 GLU A 4 -11.835 -7.580 17.631 1.00 50.00 H new ATOM 62 N TYR A 5 -8.682 -9.507 16.362 1.00 10.00 N ATOM 63 CA TYR A 5 -7.210 -9.773 16.343 1.00 10.00 C ATOM 64 C TYR A 5 -6.478 -8.786 17.252 1.00 10.00 C ATOM 65 O TYR A 5 -6.738 -7.600 17.236 1.00 10.00 O ATOM 66 CB TYR A 5 -6.766 -9.581 14.887 1.00 10.00 C ATOM 67 CG TYR A 5 -7.411 -8.344 14.308 1.00 10.00 C ATOM 68 CD1 TYR A 5 -6.877 -7.080 14.584 1.00 10.00 C ATOM 69 CD2 TYR A 5 -8.543 -8.464 13.493 1.00 10.00 C ATOM 70 CE1 TYR A 5 -7.475 -5.934 14.045 1.00 50.00 C ATOM 71 CE2 TYR A 5 -9.141 -7.319 12.954 1.00 50.00 C ATOM 72 CZ TYR A 5 -8.607 -6.054 13.230 1.00 50.00 C ATOM 73 OH TYR A 5 -9.198 -4.927 12.698 1.00 50.00 O ATOM 0 H TYR A 5 -8.984 -8.687 15.836 1.00 10.00 H new ATOM 0 HA TYR A 5 -6.982 -10.776 16.704 1.00 10.00 H new ATOM 0 HB2 TYR A 5 -5.681 -9.492 14.838 1.00 10.00 H new ATOM 0 HB3 TYR A 5 -7.041 -10.455 14.296 1.00 10.00 H new ATOM 0 HD1 TYR A 5 -6.004 -6.988 15.213 1.00 10.00 H new ATOM 0 HD2 TYR A 5 -8.955 -9.440 13.280 1.00 10.00 H new ATOM 0 HE1 TYR A 5 -7.063 -4.959 14.258 1.00 50.00 H new ATOM 0 HE2 TYR A 5 -10.014 -7.411 12.325 1.00 50.00 H new ATOM 0 HH TYR A 5 -9.532 -5.126 11.799 1.00 50.00 H new ATOM 83 N LEU A 6 -5.559 -9.268 18.043 1.00 10.00 N ATOM 84 CA LEU A 6 -4.800 -8.362 18.951 1.00 10.00 C ATOM 85 C LEU A 6 -3.298 -8.596 18.782 1.00 10.00 C ATOM 86 O LEU A 6 -2.837 -9.720 18.728 1.00 10.00 O ATOM 87 CB LEU A 6 -5.250 -8.740 20.362 1.00 12.50 C ATOM 88 CG LEU A 6 -5.506 -7.469 21.175 1.00 12.50 C ATOM 89 CD1 LEU A 6 -5.689 -7.835 22.649 1.00 50.00 C ATOM 90 CD2 LEU A 6 -4.312 -6.523 21.031 1.00 50.00 C ATOM 0 H LEU A 6 -5.300 -10.253 18.100 1.00 10.00 H new ATOM 0 HA LEU A 6 -4.986 -7.309 18.739 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -6.156 -9.344 20.316 1.00 12.50 H new ATOM 0 HB3 LEU A 6 -4.487 -9.347 20.848 1.00 12.50 H new ATOM 0 HG LEU A 6 -6.407 -6.978 20.807 1.00 12.50 H new ATOM 0 HD11 LEU A 6 -5.871 -6.930 23.229 1.00 50.00 H new ATOM 0 HD12 LEU A 6 -6.538 -8.510 22.754 1.00 50.00 H new ATOM 0 HD13 LEU A 6 -4.788 -8.326 23.017 1.00 50.00 H new ATOM 0 HD21 LEU A 6 -4.493 -5.617 21.610 1.00 50.00 H new ATOM 0 HD22 LEU A 6 -3.412 -7.015 21.399 1.00 50.00 H new ATOM 0 HD23 LEU A 6 -4.179 -6.262 19.981 1.00 50.00 H new ATOM 102 N ASN A 7 -2.530 -7.548 18.688 1.00 10.00 N ATOM 103 CA ASN A 7 -1.059 -7.713 18.512 1.00 10.00 C ATOM 104 C ASN A 7 -0.409 -8.190 19.813 1.00 10.00 C ATOM 105 O ASN A 7 -0.448 -7.517 20.823 1.00 10.00 O ATOM 106 CB ASN A 7 -0.554 -6.322 18.138 1.00 10.00 C ATOM 107 CG ASN A 7 0.954 -6.377 17.891 1.00 10.00 C ATOM 108 OD1 ASN A 7 1.538 -7.441 17.851 1.00 12.50 O ATOM 109 ND2 ASN A 7 1.614 -5.264 17.723 1.00 12.50 N ATOM 0 H ASN A 7 -2.857 -6.582 18.725 1.00 10.00 H new ATOM 0 HA ASN A 7 -0.817 -8.458 17.754 1.00 10.00 H new ATOM 0 HB2 ASN A 7 -1.067 -5.965 17.245 1.00 10.00 H new ATOM 0 HB3 ASN A 7 -0.777 -5.615 18.937 1.00 10.00 H new ATOM 0 HD21 ASN A 7 2.620 -5.288 17.558 1.00 12.50 H new ATOM 0 HD22 ASN A 7 1.124 -4.370 17.757 1.00 12.50 H new ATOM 116 N TYR A 8 0.195 -9.348 19.793 1.00 50.00 N ATOM 117 CA TYR A 8 0.855 -9.866 21.025 1.00 50.00 C ATOM 118 C TYR A 8 1.909 -8.869 21.507 1.00 50.00 C ATOM 119 O TYR A 8 2.134 -8.711 22.691 1.00 50.00 O ATOM 120 CB TYR A 8 1.513 -11.180 20.605 1.00 50.00 C ATOM 121 CG TYR A 8 2.417 -11.664 21.714 1.00 50.00 C ATOM 122 CD1 TYR A 8 3.647 -11.034 21.943 1.00 50.00 C ATOM 123 CD2 TYR A 8 2.024 -12.743 22.517 1.00 50.00 C ATOM 124 CE1 TYR A 8 4.483 -11.482 22.973 1.00 50.00 C ATOM 125 CE2 TYR A 8 2.860 -13.190 23.548 1.00 50.00 C ATOM 126 CZ TYR A 8 4.089 -12.560 23.775 1.00 50.00 C ATOM 127 OH TYR A 8 4.912 -13.000 24.791 1.00 50.00 O ATOM 0 H TYR A 8 0.260 -9.957 18.977 1.00 50.00 H new ATOM 0 HA TYR A 8 0.150 -10.012 21.843 1.00 50.00 H new ATOM 0 HB2 TYR A 8 0.751 -11.929 20.389 1.00 50.00 H new ATOM 0 HB3 TYR A 8 2.087 -11.036 19.690 1.00 50.00 H new ATOM 0 HD1 TYR A 8 3.951 -10.202 21.325 1.00 50.00 H new ATOM 0 HD2 TYR A 8 1.076 -13.230 22.341 1.00 50.00 H new ATOM 0 HE1 TYR A 8 5.431 -10.996 23.149 1.00 50.00 H new ATOM 0 HE2 TYR A 8 2.556 -14.021 24.168 1.00 50.00 H new ATOM 0 HH TYR A 8 4.367 -13.375 25.514 1.00 50.00 H new ATOM 137 N GLU A 9 2.552 -8.189 20.598 1.00 25.00 N ATOM 138 CA GLU A 9 3.587 -7.197 21.005 1.00 25.00 C ATOM 139 C GLU A 9 2.951 -6.132 21.898 1.00 25.00 C ATOM 140 O GLU A 9 3.517 -5.717 22.890 1.00 25.00 O ATOM 141 CB GLU A 9 4.086 -6.578 19.699 1.00 50.00 C ATOM 142 CG GLU A 9 5.359 -7.295 19.247 1.00 50.00 C ATOM 143 CD GLU A 9 6.118 -6.411 18.256 1.00 50.00 C ATOM 144 OE1 GLU A 9 5.472 -5.819 17.406 1.00 50.00 O ATOM 145 OE2 GLU A 9 7.331 -6.342 18.361 1.00 50.00 O ATOM 0 H GLU A 9 2.406 -8.277 19.592 1.00 25.00 H new ATOM 0 HA GLU A 9 4.402 -7.650 21.569 1.00 25.00 H new ATOM 0 HB2 GLU A 9 3.318 -6.658 18.930 1.00 50.00 H new ATOM 0 HB3 GLU A 9 4.285 -5.516 19.841 1.00 50.00 H new ATOM 0 HG2 GLU A 9 5.989 -7.518 20.108 1.00 50.00 H new ATOM 0 HG3 GLU A 9 5.107 -8.248 18.782 1.00 50.00 H new ATOM 152 N THR A 10 1.769 -5.695 21.558 1.00 50.00 N ATOM 153 CA THR A 10 1.088 -4.666 22.394 1.00 50.00 C ATOM 154 C THR A 10 0.911 -5.200 23.818 1.00 50.00 C ATOM 155 O THR A 10 0.944 -4.458 24.780 1.00 50.00 O ATOM 156 CB THR A 10 -0.268 -4.439 21.720 1.00 50.00 C ATOM 157 OG1 THR A 10 -0.098 -3.588 20.596 1.00 50.00 O ATOM 158 CG2 THR A 10 -1.237 -3.788 22.709 1.00 50.00 C ATOM 0 H THR A 10 1.246 -6.005 20.739 1.00 50.00 H new ATOM 0 HA THR A 10 1.655 -3.738 22.468 1.00 50.00 H new ATOM 0 HB THR A 10 -0.675 -5.397 21.397 1.00 50.00 H new ATOM 0 HG1 THR A 10 0.387 -4.068 19.893 1.00 50.00 H new ATOM 0 HG21 THR A 10 -2.200 -3.629 22.224 1.00 50.00 H new ATOM 0 HG22 THR A 10 -1.369 -4.441 23.572 1.00 50.00 H new ATOM 0 HG23 THR A 10 -0.833 -2.830 23.037 1.00 50.00 H new ATOM 166 N LEU A 11 0.737 -6.485 23.958 1.00 50.00 N ATOM 167 CA LEU A 11 0.570 -7.074 25.318 1.00 50.00 C ATOM 168 C LEU A 11 1.858 -6.883 26.122 1.00 50.00 C ATOM 169 O LEU A 11 1.834 -6.476 27.266 1.00 50.00 O ATOM 170 CB LEU A 11 0.304 -8.560 25.074 1.00 50.00 C ATOM 171 CG LEU A 11 -0.416 -9.160 26.285 1.00 50.00 C ATOM 172 CD1 LEU A 11 0.278 -8.708 27.572 1.00 50.00 C ATOM 173 CD2 LEU A 11 -1.872 -8.690 26.298 1.00 50.00 C ATOM 0 H LEU A 11 0.703 -7.154 23.189 1.00 50.00 H new ATOM 0 HA LEU A 11 -0.237 -6.606 25.883 1.00 50.00 H new ATOM 0 HB2 LEU A 11 -0.303 -8.689 24.177 1.00 50.00 H new ATOM 0 HB3 LEU A 11 1.244 -9.084 24.901 1.00 50.00 H new ATOM 0 HG LEU A 11 -0.385 -10.248 26.221 1.00 50.00 H new ATOM 0 HD11 LEU A 11 -0.236 -9.136 28.432 1.00 50.00 H new ATOM 0 HD12 LEU A 11 1.315 -9.045 27.564 1.00 50.00 H new ATOM 0 HD13 LEU A 11 0.251 -7.620 27.637 1.00 50.00 H new ATOM 0 HD21 LEU A 11 -2.385 -9.117 27.160 1.00 50.00 H new ATOM 0 HD22 LEU A 11 -1.903 -7.602 26.360 1.00 50.00 H new ATOM 0 HD23 LEU A 11 -2.368 -9.015 25.383 1.00 50.00 H new ATOM 185 N ASP A 12 2.983 -7.171 25.526 1.00 50.00 N ATOM 186 CA ASP A 12 4.275 -7.001 26.250 1.00 50.00 C ATOM 187 C ASP A 12 4.693 -5.529 26.235 1.00 50.00 C ATOM 188 O ASP A 12 5.075 -4.972 27.245 1.00 50.00 O ATOM 189 CB ASP A 12 5.278 -7.853 25.472 1.00 50.00 C ATOM 190 CG ASP A 12 5.081 -9.327 25.828 1.00 50.00 C ATOM 191 OD1 ASP A 12 3.952 -9.785 25.771 1.00 50.00 O ATOM 192 OD2 ASP A 12 6.064 -9.974 26.152 1.00 50.00 O ATOM 0 H ASP A 12 3.063 -7.516 24.570 1.00 50.00 H new ATOM 0 HA ASP A 12 4.210 -7.303 27.295 1.00 50.00 H new ATOM 0 HB2 ASP A 12 5.142 -7.706 24.401 1.00 50.00 H new ATOM 0 HB3 ASP A 12 6.296 -7.543 25.710 1.00 50.00 H new ATOM 197 N ASP A 13 4.619 -4.895 25.096 1.00 50.00 N ATOM 198 CA ASP A 13 5.009 -3.458 25.017 1.00 50.00 C ATOM 199 C ASP A 13 4.395 -2.683 26.185 1.00 50.00 C ATOM 200 O ASP A 13 5.088 -2.058 26.962 1.00 50.00 O ATOM 201 CB ASP A 13 4.437 -2.964 23.688 1.00 50.00 C ATOM 202 CG ASP A 13 4.965 -1.559 23.396 1.00 50.00 C ATOM 203 OD1 ASP A 13 6.167 -1.419 23.241 1.00 50.00 O ATOM 204 OD2 ASP A 13 4.158 -0.646 23.334 1.00 50.00 O ATOM 0 H ASP A 13 4.306 -5.309 24.218 1.00 50.00 H new ATOM 0 HA ASP A 13 6.089 -3.318 25.072 1.00 50.00 H new ATOM 0 HB2 ASP A 13 4.718 -3.644 22.884 1.00 50.00 H new ATOM 0 HB3 ASP A 13 3.348 -2.953 23.730 1.00 50.00 H new ATOM 209 N GLN A 14 3.098 -2.723 26.317 1.00 50.00 N ATOM 210 CA GLN A 14 2.441 -1.994 27.438 1.00 50.00 C ATOM 211 C GLN A 14 2.642 -2.762 28.746 1.00 50.00 C ATOM 212 O GLN A 14 2.507 -2.219 29.825 1.00 50.00 O ATOM 213 CB GLN A 14 0.959 -1.945 27.064 1.00 50.00 C ATOM 214 CG GLN A 14 0.799 -1.276 25.697 1.00 50.00 C ATOM 215 CD GLN A 14 0.317 0.164 25.890 1.00 50.00 C ATOM 216 OE1 GLN A 14 1.074 1.097 25.713 1.00 50.00 O ATOM 217 NE2 GLN A 14 -0.918 0.384 26.248 1.00 50.00 N ATOM 0 H GLN A 14 2.465 -3.229 25.697 1.00 50.00 H new ATOM 0 HA GLN A 14 2.854 -0.996 27.586 1.00 50.00 H new ATOM 0 HB2 GLN A 14 0.546 -2.953 27.038 1.00 50.00 H new ATOM 0 HB3 GLN A 14 0.401 -1.392 27.819 1.00 50.00 H new ATOM 0 HG2 GLN A 14 1.749 -1.285 25.162 1.00 50.00 H new ATOM 0 HG3 GLN A 14 0.085 -1.832 25.089 1.00 50.00 H new ATOM 0 HE21 GLN A 14 -1.553 -0.400 26.396 1.00 50.00 H new ATOM 0 HE22 GLN A 14 -1.248 1.340 26.379 1.00 50.00 H new ATOM 226 N GLY A 15 2.968 -4.023 28.656 1.00 50.00 N ATOM 227 CA GLY A 15 3.181 -4.829 29.891 1.00 50.00 C ATOM 228 C GLY A 15 1.841 -5.064 30.589 1.00 50.00 C ATOM 229 O GLY A 15 1.753 -5.058 31.800 1.00 50.00 O ATOM 0 H GLY A 15 3.096 -4.530 27.780 1.00 50.00 H new ATOM 0 HA2 GLY A 15 3.643 -5.783 29.639 1.00 50.00 H new ATOM 0 HA3 GLY A 15 3.866 -4.310 30.562 1.00 50.00 H new ATOM 233 N TRP A 16 0.795 -5.270 29.837 1.00 50.00 N ATOM 234 CA TRP A 16 -0.538 -5.503 30.465 1.00 50.00 C ATOM 235 C TRP A 16 -0.732 -6.992 30.759 1.00 50.00 C ATOM 236 O TRP A 16 0.180 -7.784 30.633 1.00 50.00 O ATOM 237 CB TRP A 16 -1.554 -5.022 29.431 1.00 50.00 C ATOM 238 CG TRP A 16 -2.131 -3.719 29.879 1.00 50.00 C ATOM 239 CD1 TRP A 16 -3.443 -3.395 29.832 1.00 50.00 C ATOM 240 CD2 TRP A 16 -1.443 -2.566 30.441 1.00 50.00 C ATOM 241 NE1 TRP A 16 -3.603 -2.113 30.329 1.00 50.00 N ATOM 242 CE2 TRP A 16 -2.399 -1.561 30.717 1.00 50.00 C ATOM 243 CE3 TRP A 16 -0.094 -2.296 30.733 1.00 50.00 C ATOM 244 CZ2 TRP A 16 -2.030 -0.332 31.266 1.00 50.00 C ATOM 245 CZ3 TRP A 16 0.281 -1.060 31.286 1.00 50.00 C ATOM 246 CH2 TRP A 16 -0.685 -0.080 31.552 1.00 50.00 C ATOM 0 H TRP A 16 0.804 -5.287 28.817 1.00 50.00 H new ATOM 0 HA TRP A 16 -0.644 -4.977 31.414 1.00 50.00 H new ATOM 0 HB2 TRP A 16 -1.075 -4.906 28.459 1.00 50.00 H new ATOM 0 HB3 TRP A 16 -2.346 -5.762 29.310 1.00 50.00 H new ATOM 0 HD1 TRP A 16 -4.235 -4.032 29.467 1.00 50.00 H new ATOM 0 HE1 TRP A 16 -4.501 -1.635 30.400 1.00 50.00 H new ATOM 0 HE3 TRP A 16 0.659 -3.044 30.531 1.00 50.00 H new ATOM 0 HZ2 TRP A 16 -2.779 0.419 31.469 1.00 50.00 H new ATOM 0 HZ3 TRP A 16 1.320 -0.864 31.507 1.00 50.00 H new ATOM 0 HH2 TRP A 16 -0.391 0.868 31.977 1.00 50.00 H new ATOM 257 N ASP A 17 -1.915 -7.378 31.153 1.00 50.00 N ATOM 258 CA ASP A 17 -2.167 -8.815 31.457 1.00 50.00 C ATOM 259 C ASP A 17 -2.576 -9.563 30.187 1.00 50.00 C ATOM 260 O ASP A 17 -2.650 -8.994 29.116 1.00 50.00 O ATOM 261 CB ASP A 17 -3.311 -8.812 32.472 1.00 50.00 C ATOM 262 CG ASP A 17 -2.756 -9.120 33.864 1.00 50.00 C ATOM 263 OD1 ASP A 17 -2.047 -10.105 33.993 1.00 50.00 O ATOM 264 OD2 ASP A 17 -3.051 -8.368 34.778 1.00 50.00 O ATOM 0 H ASP A 17 -2.717 -6.761 31.277 1.00 50.00 H new ATOM 0 HA ASP A 17 -1.280 -9.315 31.845 1.00 50.00 H new ATOM 0 HB2 ASP A 17 -3.808 -7.842 32.473 1.00 50.00 H new ATOM 0 HB3 ASP A 17 -4.060 -9.554 32.195 1.00 50.00 H new ATOM 269 N MET A 18 -2.838 -10.836 30.297 1.00 50.00 N ATOM 270 CA MET A 18 -3.237 -11.622 29.095 1.00 50.00 C ATOM 271 C MET A 18 -4.714 -11.381 28.769 1.00 50.00 C ATOM 272 O MET A 18 -5.067 -11.072 27.648 1.00 50.00 O ATOM 273 CB MET A 18 -3.003 -13.081 29.484 1.00 50.00 C ATOM 274 CG MET A 18 -1.540 -13.273 29.889 1.00 50.00 C ATOM 275 SD MET A 18 -1.366 -14.820 30.812 1.00 50.00 S ATOM 276 CE MET A 18 -0.119 -14.243 31.990 1.00 50.00 C ATOM 0 H MET A 18 -2.793 -11.366 31.167 1.00 50.00 H new ATOM 0 HA MET A 18 -2.669 -11.340 28.209 1.00 50.00 H new ATOM 0 HB2 MET A 18 -3.659 -13.358 30.309 1.00 50.00 H new ATOM 0 HB3 MET A 18 -3.249 -13.735 28.648 1.00 50.00 H new ATOM 0 HG2 MET A 18 -0.906 -13.293 29.003 1.00 50.00 H new ATOM 0 HG3 MET A 18 -1.208 -12.434 30.500 1.00 50.00 H new ATOM 0 HE1 MET A 18 0.142 -15.054 32.670 1.00 50.00 H new ATOM 0 HE2 MET A 18 0.772 -13.923 31.449 1.00 50.00 H new ATOM 0 HE3 MET A 18 -0.518 -13.405 32.561 1.00 50.00 H new ATOM 286 N ASP A 19 -5.580 -11.525 29.735 1.00 50.00 N ATOM 287 CA ASP A 19 -7.032 -11.307 29.470 1.00 50.00 C ATOM 288 C ASP A 19 -7.696 -10.594 30.653 1.00 50.00 C ATOM 289 O ASP A 19 -8.899 -10.430 30.692 1.00 50.00 O ATOM 290 CB ASP A 19 -7.616 -12.710 29.297 1.00 50.00 C ATOM 291 CG ASP A 19 -7.086 -13.622 30.404 1.00 50.00 C ATOM 292 OD1 ASP A 19 -5.895 -13.890 30.405 1.00 50.00 O ATOM 293 OD2 ASP A 19 -7.879 -14.037 31.234 1.00 50.00 O ATOM 0 H ASP A 19 -5.347 -11.783 30.694 1.00 50.00 H new ATOM 0 HA ASP A 19 -7.198 -10.680 28.594 1.00 50.00 H new ATOM 0 HB2 ASP A 19 -8.705 -12.670 29.334 1.00 50.00 H new ATOM 0 HB3 ASP A 19 -7.345 -13.111 28.320 1.00 50.00 H new ATOM 298 N ASP A 20 -6.926 -10.170 31.616 1.00 50.00 N ATOM 299 CA ASP A 20 -7.523 -9.470 32.791 1.00 50.00 C ATOM 300 C ASP A 20 -7.817 -8.008 32.444 1.00 50.00 C ATOM 301 O ASP A 20 -8.857 -7.477 32.783 1.00 50.00 O ATOM 302 CB ASP A 20 -6.462 -9.558 33.889 1.00 50.00 C ATOM 303 CG ASP A 20 -5.973 -11.003 34.011 1.00 50.00 C ATOM 304 OD1 ASP A 20 -6.728 -11.823 34.506 1.00 50.00 O ATOM 305 OD2 ASP A 20 -4.851 -11.264 33.608 1.00 50.00 O ATOM 0 H ASP A 20 -5.912 -10.277 31.642 1.00 50.00 H new ATOM 0 HA ASP A 20 -8.467 -9.918 33.101 1.00 50.00 H new ATOM 0 HB2 ASP A 20 -5.626 -8.898 33.656 1.00 50.00 H new ATOM 0 HB3 ASP A 20 -6.878 -9.222 34.839 1.00 50.00 H new ATOM 310 N ASP A 21 -6.911 -7.352 31.773 1.00 50.00 N ATOM 311 CA ASP A 21 -7.143 -5.924 31.407 1.00 50.00 C ATOM 312 C ASP A 21 -8.065 -5.831 30.190 1.00 50.00 C ATOM 313 O ASP A 21 -8.351 -4.759 29.695 1.00 50.00 O ATOM 314 CB ASP A 21 -5.756 -5.373 31.075 1.00 50.00 C ATOM 315 CG ASP A 21 -5.077 -4.897 32.360 1.00 50.00 C ATOM 316 OD1 ASP A 21 -5.261 -3.743 32.712 1.00 50.00 O ATOM 317 OD2 ASP A 21 -4.386 -5.695 32.973 1.00 50.00 O ATOM 0 H ASP A 21 -6.021 -7.741 31.462 1.00 50.00 H new ATOM 0 HA ASP A 21 -7.624 -5.364 32.209 1.00 50.00 H new ATOM 0 HB2 ASP A 21 -5.152 -6.143 30.595 1.00 50.00 H new ATOM 0 HB3 ASP A 21 -5.840 -4.548 30.368 1.00 50.00 H new ATOM 322 N ASP A 22 -8.533 -6.947 29.703 1.00 50.00 N ATOM 323 CA ASP A 22 -9.437 -6.925 28.518 1.00 50.00 C ATOM 324 C ASP A 22 -8.852 -6.021 27.431 1.00 50.00 C ATOM 325 O ASP A 22 -9.513 -5.138 26.919 1.00 50.00 O ATOM 326 CB ASP A 22 -10.760 -6.360 29.035 1.00 50.00 C ATOM 327 CG ASP A 22 -11.551 -7.469 29.732 1.00 50.00 C ATOM 328 OD1 ASP A 22 -11.294 -8.626 29.442 1.00 50.00 O ATOM 329 OD2 ASP A 22 -12.402 -7.142 30.545 1.00 50.00 O ATOM 0 H ASP A 22 -8.328 -7.875 30.075 1.00 50.00 H new ATOM 0 HA ASP A 22 -9.566 -7.913 28.076 1.00 50.00 H new ATOM 0 HB2 ASP A 22 -10.571 -5.542 29.730 1.00 50.00 H new ATOM 0 HB3 ASP A 22 -11.340 -5.949 28.209 1.00 50.00 H new ATOM 334 N LEU A 23 -7.617 -6.237 27.075 1.00 50.00 N ATOM 335 CA LEU A 23 -6.983 -5.395 26.020 1.00 50.00 C ATOM 336 C LEU A 23 -7.939 -5.222 24.837 1.00 50.00 C ATOM 337 O LEU A 23 -8.013 -4.170 24.234 1.00 50.00 O ATOM 338 CB LEU A 23 -5.736 -6.169 25.592 1.00 50.00 C ATOM 339 CG LEU A 23 -4.613 -5.928 26.602 1.00 50.00 C ATOM 340 CD1 LEU A 23 -4.549 -7.102 27.580 1.00 50.00 C ATOM 341 CD2 LEU A 23 -3.280 -5.805 25.863 1.00 50.00 C ATOM 0 H LEU A 23 -7.017 -6.962 27.469 1.00 50.00 H new ATOM 0 HA LEU A 23 -6.739 -4.396 26.380 1.00 50.00 H new ATOM 0 HB2 LEU A 23 -5.960 -7.234 25.529 1.00 50.00 H new ATOM 0 HB3 LEU A 23 -5.420 -5.850 24.599 1.00 50.00 H new ATOM 0 HG LEU A 23 -4.809 -5.007 27.152 1.00 50.00 H new ATOM 0 HD11 LEU A 23 -3.749 -6.932 28.301 1.00 50.00 H new ATOM 0 HD12 LEU A 23 -5.499 -7.189 28.107 1.00 50.00 H new ATOM 0 HD13 LEU A 23 -4.353 -8.023 27.031 1.00 50.00 H new ATOM 0 HD21 LEU A 23 -2.480 -5.633 26.583 1.00 50.00 H new ATOM 0 HD22 LEU A 23 -3.082 -6.725 25.313 1.00 50.00 H new ATOM 0 HD23 LEU A 23 -3.326 -4.969 25.166 1.00 50.00 H new ATOM 353 N PHE A 24 -8.673 -6.248 24.500 1.00 50.00 N ATOM 354 CA PHE A 24 -9.624 -6.138 23.358 1.00 50.00 C ATOM 355 C PHE A 24 -10.619 -5.003 23.609 1.00 50.00 C ATOM 356 O PHE A 24 -11.283 -4.534 22.708 1.00 50.00 O ATOM 357 CB PHE A 24 -10.351 -7.482 23.312 1.00 50.00 C ATOM 358 CG PHE A 24 -9.435 -8.537 22.737 1.00 50.00 C ATOM 359 CD1 PHE A 24 -9.287 -8.656 21.350 1.00 50.00 C ATOM 360 CD2 PHE A 24 -8.737 -9.398 23.591 1.00 50.00 C ATOM 361 CE1 PHE A 24 -8.438 -9.634 20.818 1.00 50.00 C ATOM 362 CE2 PHE A 24 -7.890 -10.377 23.060 1.00 50.00 C ATOM 363 CZ PHE A 24 -7.740 -10.495 21.673 1.00 50.00 C ATOM 0 H PHE A 24 -8.655 -7.156 24.965 1.00 50.00 H new ATOM 0 HA PHE A 24 -9.116 -5.918 22.419 1.00 50.00 H new ATOM 0 HB2 PHE A 24 -10.668 -7.769 24.314 1.00 50.00 H new ATOM 0 HB3 PHE A 24 -11.252 -7.398 22.704 1.00 50.00 H new ATOM 0 HD1 PHE A 24 -9.828 -7.993 20.690 1.00 50.00 H new ATOM 0 HD2 PHE A 24 -8.852 -9.307 24.661 1.00 50.00 H new ATOM 0 HE1 PHE A 24 -8.322 -9.724 19.748 1.00 50.00 H new ATOM 0 HE2 PHE A 24 -7.352 -11.041 23.720 1.00 50.00 H new ATOM 0 HZ PHE A 24 -7.086 -11.250 21.263 1.00 50.00 H new ATOM 373 N GLU A 25 -10.726 -4.559 24.832 1.00 50.00 N ATOM 374 CA GLU A 25 -11.679 -3.454 25.144 1.00 50.00 C ATOM 375 C GLU A 25 -10.916 -2.148 25.380 1.00 50.00 C ATOM 376 O GLU A 25 -11.236 -1.122 24.814 1.00 50.00 O ATOM 377 CB GLU A 25 -12.395 -3.897 26.419 1.00 50.00 C ATOM 378 CG GLU A 25 -13.881 -3.544 26.316 1.00 50.00 C ATOM 379 CD GLU A 25 -14.625 -4.113 27.525 1.00 50.00 C ATOM 380 OE1 GLU A 25 -14.247 -3.785 28.637 1.00 50.00 O ATOM 381 OE2 GLU A 25 -15.562 -4.867 27.318 1.00 50.00 O ATOM 0 H GLU A 25 -10.196 -4.913 25.628 1.00 50.00 H new ATOM 0 HA GLU A 25 -12.378 -3.269 24.329 1.00 50.00 H new ATOM 0 HB2 GLU A 25 -12.274 -4.971 26.563 1.00 50.00 H new ATOM 0 HB3 GLU A 25 -11.953 -3.407 27.287 1.00 50.00 H new ATOM 0 HG2 GLU A 25 -14.007 -2.462 26.274 1.00 50.00 H new ATOM 0 HG3 GLU A 25 -14.299 -3.949 25.395 1.00 50.00 H new ATOM 388 N LYS A 26 -9.908 -2.178 26.210 1.00 50.00 N ATOM 389 CA LYS A 26 -9.127 -0.935 26.478 1.00 50.00 C ATOM 390 C LYS A 26 -8.336 -0.535 25.232 1.00 50.00 C ATOM 391 O LYS A 26 -8.030 0.623 25.022 1.00 50.00 O ATOM 392 CB LYS A 26 -8.178 -1.302 27.620 1.00 50.00 C ATOM 393 CG LYS A 26 -8.162 -0.175 28.656 1.00 50.00 C ATOM 394 CD LYS A 26 -7.493 1.065 28.057 1.00 50.00 C ATOM 395 CE LYS A 26 -5.990 0.812 27.910 1.00 50.00 C ATOM 396 NZ LYS A 26 -5.372 1.484 29.088 1.00 50.00 N ATOM 0 H LYS A 26 -9.592 -3.007 26.713 1.00 50.00 H new ATOM 0 HA LYS A 26 -9.766 -0.091 26.736 1.00 50.00 H new ATOM 0 HB2 LYS A 26 -8.497 -2.234 28.086 1.00 50.00 H new ATOM 0 HB3 LYS A 26 -7.173 -1.468 27.232 1.00 50.00 H new ATOM 0 HG2 LYS A 26 -9.180 0.062 28.965 1.00 50.00 H new ATOM 0 HG3 LYS A 26 -7.624 -0.495 29.548 1.00 50.00 H new ATOM 0 HD2 LYS A 26 -7.931 1.294 27.086 1.00 50.00 H new ATOM 0 HD3 LYS A 26 -7.666 1.930 28.697 1.00 50.00 H new ATOM 0 HE2 LYS A 26 -5.768 -0.255 27.902 1.00 50.00 H new ATOM 0 HE3 LYS A 26 -5.609 1.224 26.975 1.00 50.00 H new ATOM 0 HZ1 LYS A 26 -4.340 1.356 29.059 1.00 50.00 H new ATOM 0 HZ2 LYS A 26 -5.595 2.499 29.065 1.00 50.00 H new ATOM 0 HZ3 LYS A 26 -5.749 1.066 29.963 1.00 50.00 H new ATOM 410 N ALA A 27 -8.004 -1.485 24.401 1.00 50.00 N ATOM 411 CA ALA A 27 -7.233 -1.162 23.168 1.00 50.00 C ATOM 412 C ALA A 27 -8.015 -0.169 22.306 1.00 50.00 C ATOM 413 O ALA A 27 -7.449 0.694 21.665 1.00 50.00 O ATOM 414 CB ALA A 27 -7.072 -2.496 22.440 1.00 50.00 C ATOM 0 H ALA A 27 -8.234 -2.471 24.523 1.00 50.00 H new ATOM 0 HA ALA A 27 -6.270 -0.702 23.389 1.00 50.00 H new ATOM 0 HB1 ALA A 27 -6.512 -2.342 21.518 1.00 50.00 H new ATOM 0 HB2 ALA A 27 -6.534 -3.196 23.079 1.00 50.00 H new ATOM 0 HB3 ALA A 27 -8.055 -2.903 22.204 1.00 50.00 H new ATOM 420 N ALA A 28 -9.314 -0.282 22.289 1.00 50.00 N ATOM 421 CA ALA A 28 -10.134 0.659 21.472 1.00 50.00 C ATOM 422 C ALA A 28 -9.942 2.092 21.973 1.00 50.00 C ATOM 423 O ALA A 28 -10.172 3.047 21.258 1.00 50.00 O ATOM 424 CB ALA A 28 -11.579 0.207 21.674 1.00 50.00 C ATOM 0 H ALA A 28 -9.844 -0.984 22.805 1.00 50.00 H new ATOM 0 HA ALA A 28 -9.851 0.649 20.419 1.00 50.00 H new ATOM 0 HB1 ALA A 28 -12.246 0.853 21.102 1.00 50.00 H new ATOM 0 HB2 ALA A 28 -11.690 -0.822 21.332 1.00 50.00 H new ATOM 0 HB3 ALA A 28 -11.835 0.267 22.732 1.00 50.00 H new ATOM 430 N ASP A 29 -9.521 2.248 23.198 1.00 50.00 N ATOM 431 CA ASP A 29 -9.311 3.618 23.746 1.00 50.00 C ATOM 432 C ASP A 29 -7.844 4.028 23.588 1.00 50.00 C ATOM 433 O ASP A 29 -7.488 5.178 23.759 1.00 50.00 O ATOM 434 CB ASP A 29 -9.685 3.515 25.225 1.00 50.00 C ATOM 435 CG ASP A 29 -10.817 4.496 25.534 1.00 50.00 C ATOM 436 OD1 ASP A 29 -10.659 5.667 25.232 1.00 50.00 O ATOM 437 OD2 ASP A 29 -11.823 4.060 26.069 1.00 50.00 O ATOM 0 H ASP A 29 -9.313 1.486 23.843 1.00 50.00 H new ATOM 0 HA ASP A 29 -9.908 4.368 23.228 1.00 50.00 H new ATOM 0 HB2 ASP A 29 -9.996 2.498 25.462 1.00 50.00 H new ATOM 0 HB3 ASP A 29 -8.818 3.736 25.847 1.00 50.00 H new ATOM 442 N ALA A 30 -6.991 3.096 23.263 1.00 50.00 N ATOM 443 CA ALA A 30 -5.548 3.430 23.095 1.00 50.00 C ATOM 444 C ALA A 30 -5.287 3.958 21.681 1.00 50.00 C ATOM 445 O ALA A 30 -4.387 4.742 21.457 1.00 50.00 O ATOM 446 CB ALA A 30 -4.807 2.112 23.322 1.00 50.00 C ATOM 0 H ALA A 30 -7.231 2.117 23.106 1.00 50.00 H new ATOM 0 HA ALA A 30 -5.221 4.206 23.787 1.00 50.00 H new ATOM 0 HB1 ALA A 30 -3.734 2.274 23.215 1.00 50.00 H new ATOM 0 HB2 ALA A 30 -5.020 1.743 24.325 1.00 50.00 H new ATOM 0 HB3 ALA A 30 -5.138 1.378 22.588 1.00 50.00 H new ATOM 452 N GLY A 31 -6.068 3.534 20.726 1.00 50.00 N ATOM 453 CA GLY A 31 -5.866 4.012 19.330 1.00 50.00 C ATOM 454 C GLY A 31 -4.805 3.150 18.641 1.00 50.00 C ATOM 455 O GLY A 31 -3.887 3.653 18.026 1.00 50.00 O ATOM 0 H GLY A 31 -6.838 2.877 20.853 1.00 50.00 H new ATOM 0 HA2 GLY A 31 -6.805 3.962 18.778 1.00 50.00 H new ATOM 0 HA3 GLY A 31 -5.554 5.056 19.334 1.00 50.00 H new ATOM 459 N LEU A 32 -4.928 1.854 18.738 1.00 50.00 N ATOM 460 CA LEU A 32 -3.928 0.960 18.086 1.00 50.00 C ATOM 461 C LEU A 32 -4.250 0.807 16.596 1.00 50.00 C ATOM 462 O LEU A 32 -5.368 1.015 16.169 1.00 50.00 O ATOM 463 CB LEU A 32 -4.064 -0.382 18.807 1.00 50.00 C ATOM 464 CG LEU A 32 -3.259 -0.348 20.106 1.00 50.00 C ATOM 465 CD1 LEU A 32 -4.099 -0.928 21.245 1.00 50.00 C ATOM 466 CD2 LEU A 32 -1.985 -1.179 19.939 1.00 50.00 C ATOM 0 H LEU A 32 -5.676 1.376 19.240 1.00 50.00 H new ATOM 0 HA LEU A 32 -2.914 1.355 18.153 1.00 50.00 H new ATOM 0 HB2 LEU A 32 -5.113 -0.586 19.022 1.00 50.00 H new ATOM 0 HB3 LEU A 32 -3.707 -1.189 18.167 1.00 50.00 H new ATOM 0 HG LEU A 32 -2.993 0.683 20.340 1.00 50.00 H new ATOM 0 HD11 LEU A 32 -3.524 -0.903 22.170 1.00 50.00 H new ATOM 0 HD12 LEU A 32 -5.006 -0.336 21.366 1.00 50.00 H new ATOM 0 HD13 LEU A 32 -4.366 -1.959 21.012 1.00 50.00 H new ATOM 0 HD21 LEU A 32 -1.411 -1.155 20.865 1.00 50.00 H new ATOM 0 HD22 LEU A 32 -2.251 -2.210 19.704 1.00 50.00 H new ATOM 0 HD23 LEU A 32 -1.384 -0.765 19.129 1.00 50.00 H new ATOM 478 N ASP A 33 -3.280 0.444 15.803 1.00 50.00 N ATOM 479 CA ASP A 33 -3.534 0.278 14.343 1.00 50.00 C ATOM 480 C ASP A 33 -4.355 -0.991 14.092 1.00 50.00 C ATOM 481 O ASP A 33 -4.169 -2.000 14.743 1.00 50.00 O ATOM 482 CB ASP A 33 -2.148 0.155 13.709 1.00 50.00 C ATOM 483 CG ASP A 33 -2.236 0.491 12.219 1.00 50.00 C ATOM 484 OD1 ASP A 33 -3.249 0.169 11.618 1.00 50.00 O ATOM 485 OD2 ASP A 33 -1.291 1.066 11.703 1.00 50.00 O ATOM 0 H ASP A 33 -2.323 0.255 16.102 1.00 50.00 H new ATOM 0 HA ASP A 33 -4.099 1.111 13.925 1.00 50.00 H new ATOM 0 HB2 ASP A 33 -1.449 0.829 14.204 1.00 50.00 H new ATOM 0 HB3 ASP A 33 -1.764 -0.856 13.842 1.00 50.00 H new ATOM 490 N GLY A 34 -5.260 -0.947 13.154 1.00 50.00 N ATOM 491 CA GLY A 34 -6.088 -2.151 12.864 1.00 50.00 C ATOM 492 C GLY A 34 -5.172 -3.352 12.618 1.00 50.00 C ATOM 493 O GLY A 34 -5.581 -4.491 12.732 1.00 50.00 O ATOM 0 H GLY A 34 -5.462 -0.131 12.577 1.00 50.00 H new ATOM 0 HA2 GLY A 34 -6.757 -2.355 13.700 1.00 50.00 H new ATOM 0 HA3 GLY A 34 -6.715 -1.973 11.990 1.00 50.00 H new ATOM 497 N GLU A 35 -3.934 -3.108 12.284 1.00 50.00 N ATOM 498 CA GLU A 35 -2.994 -4.237 12.034 1.00 50.00 C ATOM 499 C GLU A 35 -2.546 -4.857 13.361 1.00 50.00 C ATOM 500 O GLU A 35 -1.757 -5.780 13.391 1.00 50.00 O ATOM 501 CB GLU A 35 -1.809 -3.610 11.300 1.00 50.00 C ATOM 502 CG GLU A 35 -2.211 -3.308 9.855 1.00 50.00 C ATOM 503 CD GLU A 35 -0.961 -3.286 8.974 1.00 50.00 C ATOM 504 OE1 GLU A 35 0.104 -3.590 9.484 1.00 50.00 O ATOM 505 OE2 GLU A 35 -1.092 -2.967 7.804 1.00 50.00 O ATOM 0 H GLU A 35 -3.533 -2.176 12.174 1.00 50.00 H new ATOM 0 HA GLU A 35 -3.452 -5.037 11.453 1.00 50.00 H new ATOM 0 HB2 GLU A 35 -1.499 -2.694 11.802 1.00 50.00 H new ATOM 0 HB3 GLU A 35 -0.956 -4.288 11.318 1.00 50.00 H new ATOM 0 HG2 GLU A 35 -2.910 -4.063 9.495 1.00 50.00 H new ATOM 0 HG3 GLU A 35 -2.724 -2.348 9.802 1.00 50.00 H new ATOM 512 N ASP A 36 -3.049 -4.361 14.456 1.00 50.00 N ATOM 513 CA ASP A 36 -2.665 -4.925 15.782 1.00 50.00 C ATOM 514 C ASP A 36 -3.925 -5.272 16.574 1.00 50.00 C ATOM 515 O ASP A 36 -4.086 -6.374 17.060 1.00 50.00 O ATOM 516 CB ASP A 36 -1.877 -3.815 16.478 1.00 50.00 C ATOM 517 CG ASP A 36 -0.612 -3.504 15.677 1.00 50.00 C ATOM 518 OD1 ASP A 36 -0.348 -4.216 14.722 1.00 50.00 O ATOM 519 OD2 ASP A 36 0.073 -2.558 16.031 1.00 50.00 O ATOM 0 H ASP A 36 -3.712 -3.587 14.491 1.00 50.00 H new ATOM 0 HA ASP A 36 -2.075 -5.838 15.694 1.00 50.00 H new ATOM 0 HB2 ASP A 36 -2.492 -2.920 16.567 1.00 50.00 H new ATOM 0 HB3 ASP A 36 -1.613 -4.122 17.490 1.00 50.00 H new ATOM 524 N TYR A 37 -4.827 -4.337 16.698 1.00 12.50 N ATOM 525 CA TYR A 37 -6.087 -4.607 17.446 1.00 12.50 C ATOM 526 C TYR A 37 -7.293 -4.189 16.599 1.00 12.50 C ATOM 527 O TYR A 37 -7.319 -3.121 16.022 1.00 12.50 O ATOM 528 CB TYR A 37 -5.993 -3.754 18.714 1.00 12.50 C ATOM 529 CG TYR A 37 -7.373 -3.574 19.306 1.00 12.50 C ATOM 530 CD1 TYR A 37 -8.054 -4.670 19.850 1.00 50.00 C ATOM 531 CD2 TYR A 37 -7.977 -2.311 19.298 1.00 50.00 C ATOM 532 CE1 TYR A 37 -9.336 -4.503 20.388 1.00 50.00 C ATOM 533 CE2 TYR A 37 -9.259 -2.144 19.833 1.00 50.00 C ATOM 534 CZ TYR A 37 -9.938 -3.238 20.379 1.00 12.50 C ATOM 535 OH TYR A 37 -11.203 -3.071 20.905 1.00 50.00 O ATOM 0 H TYR A 37 -4.745 -3.396 16.313 1.00 12.50 H new ATOM 0 HA TYR A 37 -6.212 -5.664 17.683 1.00 12.50 H new ATOM 0 HB2 TYR A 37 -5.335 -4.233 19.439 1.00 12.50 H new ATOM 0 HB3 TYR A 37 -5.557 -2.783 18.480 1.00 12.50 H new ATOM 0 HD1 TYR A 37 -7.590 -5.645 19.855 1.00 50.00 H new ATOM 0 HD2 TYR A 37 -7.453 -1.465 18.879 1.00 50.00 H new ATOM 0 HE1 TYR A 37 -9.860 -5.348 20.809 1.00 50.00 H new ATOM 0 HE2 TYR A 37 -9.725 -1.170 19.824 1.00 50.00 H new ATOM 0 HH TYR A 37 -11.432 -3.846 21.459 1.00 50.00 H new ATOM 545 N GLY A 38 -8.292 -5.023 16.524 1.00 10.00 N ATOM 546 CA GLY A 38 -9.494 -4.674 15.717 1.00 10.00 C ATOM 547 C GLY A 38 -10.394 -5.903 15.594 1.00 10.00 C ATOM 548 O GLY A 38 -9.982 -7.015 15.863 1.00 10.00 O ATOM 0 H GLY A 38 -8.328 -5.931 16.987 1.00 10.00 H new ATOM 0 HA2 GLY A 38 -10.038 -3.856 16.189 1.00 10.00 H new ATOM 0 HA3 GLY A 38 -9.194 -4.328 14.728 1.00 10.00 H new ATOM 552 N THR A 39 -11.620 -5.716 15.190 1.00 10.00 N ATOM 553 CA THR A 39 -12.540 -6.880 15.051 1.00 10.00 C ATOM 554 C THR A 39 -12.330 -7.556 13.694 1.00 10.00 C ATOM 555 O THR A 39 -12.169 -6.904 12.682 1.00 10.00 O ATOM 556 CB THR A 39 -13.948 -6.290 15.145 1.00 50.00 C ATOM 557 OG1 THR A 39 -14.037 -5.462 16.295 1.00 50.00 O ATOM 558 CG2 THR A 39 -14.970 -7.423 15.246 1.00 50.00 C ATOM 0 H THR A 39 -12.024 -4.810 14.951 1.00 10.00 H new ATOM 0 HA THR A 39 -12.367 -7.637 15.815 1.00 10.00 H new ATOM 0 HB THR A 39 -14.155 -5.696 14.255 1.00 50.00 H new ATOM 0 HG1 THR A 39 -14.938 -5.082 16.355 1.00 50.00 H new ATOM 0 HG21 THR A 39 -15.974 -7.003 15.313 1.00 50.00 H new ATOM 0 HG22 THR A 39 -14.900 -8.056 14.361 1.00 50.00 H new ATOM 0 HG23 THR A 39 -14.766 -8.019 16.136 1.00 50.00 H new ATOM 566 N MET A 40 -12.332 -8.861 13.666 1.00 10.00 N ATOM 567 CA MET A 40 -12.132 -9.575 12.374 1.00 10.00 C ATOM 568 C MET A 40 -13.457 -10.164 11.884 1.00 10.00 C ATOM 569 O MET A 40 -14.269 -10.626 12.661 1.00 10.00 O ATOM 570 CB MET A 40 -11.134 -10.689 12.688 1.00 10.00 C ATOM 571 CG MET A 40 -10.234 -10.926 11.473 1.00 10.00 C ATOM 572 SD MET A 40 -9.632 -12.632 11.495 1.00 12.50 S ATOM 573 CE MET A 40 -7.975 -12.282 12.133 1.00 50.00 C ATOM 0 H MET A 40 -12.463 -9.462 14.480 1.00 10.00 H new ATOM 0 HA MET A 40 -11.770 -8.912 11.588 1.00 10.00 H new ATOM 0 HB2 MET A 40 -10.530 -10.417 13.554 1.00 10.00 H new ATOM 0 HB3 MET A 40 -11.665 -11.606 12.945 1.00 10.00 H new ATOM 0 HG2 MET A 40 -10.788 -10.736 10.554 1.00 10.00 H new ATOM 0 HG3 MET A 40 -9.394 -10.232 11.488 1.00 10.00 H new ATOM 0 HE1 MET A 40 -7.288 -13.064 11.810 1.00 50.00 H new ATOM 0 HE2 MET A 40 -7.634 -11.319 11.752 1.00 50.00 H new ATOM 0 HE3 MET A 40 -8.003 -12.252 13.222 1.00 50.00 H new ATOM 583 N GLU A 41 -13.680 -10.155 10.598 1.00 10.00 N ATOM 584 CA GLU A 41 -14.951 -10.717 10.057 1.00 10.00 C ATOM 585 C GLU A 41 -14.661 -11.991 9.259 1.00 10.00 C ATOM 586 O GLU A 41 -14.224 -11.940 8.127 1.00 10.00 O ATOM 587 CB GLU A 41 -15.508 -9.626 9.144 1.00 10.00 C ATOM 588 CG GLU A 41 -16.496 -8.760 9.926 1.00 10.00 C ATOM 589 CD GLU A 41 -17.471 -8.094 8.954 1.00 12.50 C ATOM 590 OE1 GLU A 41 -17.939 -8.774 8.056 1.00 12.50 O ATOM 591 OE2 GLU A 41 -17.733 -6.914 9.124 1.00 12.50 O ATOM 0 H GLU A 41 -13.038 -9.783 9.899 1.00 10.00 H new ATOM 0 HA GLU A 41 -15.656 -10.986 10.844 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -14.695 -9.011 8.758 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -16.004 -10.075 8.284 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -17.042 -9.371 10.644 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -15.959 -8.002 10.496 1.00 10.00 H new ATOM 598 N VAL A 42 -14.898 -13.134 9.842 1.00 10.00 N ATOM 599 CA VAL A 42 -14.630 -14.410 9.116 1.00 10.00 C ATOM 600 C VAL A 42 -15.936 -15.170 8.875 1.00 10.00 C ATOM 601 O VAL A 42 -16.702 -15.413 9.787 1.00 10.00 O ATOM 602 CB VAL A 42 -13.713 -15.206 10.044 1.00 10.00 C ATOM 603 CG1 VAL A 42 -13.155 -16.417 9.292 1.00 10.00 C ATOM 604 CG2 VAL A 42 -12.559 -14.316 10.507 1.00 10.00 C ATOM 0 H VAL A 42 -15.265 -13.241 10.788 1.00 10.00 H new ATOM 0 HA VAL A 42 -14.178 -14.240 8.139 1.00 10.00 H new ATOM 0 HB VAL A 42 -14.279 -15.546 10.911 1.00 10.00 H new ATOM 0 HG11 VAL A 42 -12.501 -16.986 9.953 1.00 10.00 H new ATOM 0 HG12 VAL A 42 -13.978 -17.051 8.962 1.00 10.00 H new ATOM 0 HG13 VAL A 42 -12.589 -16.077 8.425 1.00 10.00 H new ATOM 0 HG21 VAL A 42 -11.905 -14.883 11.169 1.00 10.00 H new ATOM 0 HG22 VAL A 42 -11.992 -13.976 9.641 1.00 10.00 H new ATOM 0 HG23 VAL A 42 -12.957 -13.454 11.042 1.00 10.00 H new ATOM 614 N ALA A 43 -16.194 -15.551 7.653 1.00 10.00 N ATOM 615 CA ALA A 43 -17.450 -16.300 7.357 1.00 10.00 C ATOM 616 C ALA A 43 -17.370 -17.711 7.945 1.00 10.00 C ATOM 617 O ALA A 43 -16.383 -18.090 8.544 1.00 10.00 O ATOM 618 CB ALA A 43 -17.528 -16.357 5.830 1.00 50.00 C ATOM 0 H ALA A 43 -15.591 -15.377 6.849 1.00 10.00 H new ATOM 0 HA ALA A 43 -18.329 -15.823 7.790 1.00 10.00 H new ATOM 0 HB1 ALA A 43 -18.428 -16.894 5.531 1.00 50.00 H new ATOM 0 HB2 ALA A 43 -17.561 -15.344 5.429 1.00 50.00 H new ATOM 0 HB3 ALA A 43 -16.651 -16.873 5.440 1.00 50.00 H new ATOM 624 N GLU A 44 -18.401 -18.493 7.780 1.00 10.00 N ATOM 625 CA GLU A 44 -18.379 -19.878 8.333 1.00 10.00 C ATOM 626 C GLU A 44 -17.458 -20.766 7.495 1.00 10.00 C ATOM 627 O GLU A 44 -17.667 -20.956 6.314 1.00 10.00 O ATOM 628 CB GLU A 44 -19.824 -20.368 8.243 1.00 10.00 C ATOM 629 CG GLU A 44 -20.627 -19.806 9.418 1.00 10.00 C ATOM 630 CD GLU A 44 -20.624 -20.815 10.570 1.00 25.00 C ATOM 631 OE1 GLU A 44 -19.560 -21.320 10.885 1.00 25.00 O ATOM 632 OE2 GLU A 44 -21.686 -21.063 11.116 1.00 25.00 O ATOM 0 H GLU A 44 -19.256 -18.235 7.288 1.00 10.00 H new ATOM 0 HA GLU A 44 -18.004 -19.907 9.356 1.00 10.00 H new ATOM 0 HB2 GLU A 44 -20.269 -20.051 7.300 1.00 10.00 H new ATOM 0 HB3 GLU A 44 -19.851 -21.458 8.258 1.00 10.00 H new ATOM 0 HG2 GLU A 44 -20.196 -18.861 9.748 1.00 10.00 H new ATOM 0 HG3 GLU A 44 -21.650 -19.598 9.106 1.00 10.00 H new ATOM 639 N GLY A 45 -16.437 -21.310 8.098 1.00 10.00 N ATOM 640 CA GLY A 45 -15.502 -22.183 7.337 1.00 10.00 C ATOM 641 C GLY A 45 -14.461 -21.316 6.627 1.00 10.00 C ATOM 642 O GLY A 45 -13.738 -21.779 5.767 1.00 10.00 O ATOM 0 H GLY A 45 -16.210 -21.187 9.085 1.00 10.00 H new ATOM 0 HA2 GLY A 45 -15.009 -22.882 8.012 1.00 10.00 H new ATOM 0 HA3 GLY A 45 -16.054 -22.778 6.609 1.00 10.00 H new ATOM 646 N GLU A 46 -14.377 -20.062 6.980 1.00 10.00 N ATOM 647 CA GLU A 46 -13.378 -19.170 6.323 1.00 10.00 C ATOM 648 C GLU A 46 -12.066 -19.175 7.111 1.00 10.00 C ATOM 649 O GLU A 46 -11.982 -18.646 8.201 1.00 10.00 O ATOM 650 CB GLU A 46 -14.012 -17.778 6.344 1.00 10.00 C ATOM 651 CG GLU A 46 -13.053 -16.771 5.703 1.00 10.00 C ATOM 652 CD GLU A 46 -13.241 -16.782 4.184 1.00 10.00 C ATOM 653 OE1 GLU A 46 -14.340 -16.492 3.741 1.00 10.00 O ATOM 654 OE2 GLU A 46 -12.282 -17.079 3.491 1.00 10.00 O ATOM 0 H GLU A 46 -14.955 -19.617 7.693 1.00 10.00 H new ATOM 0 HA GLU A 46 -13.141 -19.493 5.309 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -14.959 -17.790 5.804 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -14.234 -17.483 7.370 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -13.242 -15.772 6.096 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -12.023 -17.023 5.954 1.00 10.00 H new ATOM 661 N TYR A 47 -11.040 -19.771 6.568 1.00 10.00 N ATOM 662 CA TYR A 47 -9.734 -19.810 7.286 1.00 10.00 C ATOM 663 C TYR A 47 -9.410 -18.432 7.868 1.00 10.00 C ATOM 664 O TYR A 47 -9.522 -17.424 7.198 1.00 10.00 O ATOM 665 CB TYR A 47 -8.707 -20.195 6.220 1.00 10.00 C ATOM 666 CG TYR A 47 -8.931 -21.627 5.799 1.00 10.00 C ATOM 667 CD1 TYR A 47 -8.664 -22.669 6.696 1.00 10.00 C ATOM 668 CD2 TYR A 47 -9.401 -21.914 4.512 1.00 10.00 C ATOM 669 CE1 TYR A 47 -8.869 -23.998 6.305 1.00 10.00 C ATOM 670 CE2 TYR A 47 -9.606 -23.243 4.121 1.00 10.00 C ATOM 671 CZ TYR A 47 -9.340 -24.286 5.018 1.00 10.00 C ATOM 672 OH TYR A 47 -9.542 -25.596 4.633 1.00 10.00 O ATOM 0 H TYR A 47 -11.049 -20.233 5.658 1.00 10.00 H new ATOM 0 HA TYR A 47 -9.741 -20.514 8.118 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -8.796 -19.533 5.358 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -7.697 -20.074 6.612 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -8.300 -22.448 7.689 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -9.606 -21.110 3.820 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -8.664 -24.802 6.997 1.00 10.00 H new ATOM 0 HE2 TYR A 47 -9.969 -23.464 3.128 1.00 10.00 H new ATOM 0 HH TYR A 47 -9.872 -25.619 3.710 1.00 10.00 H new ATOM 682 N ILE A 48 -9.006 -18.377 9.108 1.00 10.00 N ATOM 683 CA ILE A 48 -8.675 -17.060 9.723 1.00 10.00 C ATOM 684 C ILE A 48 -7.697 -16.296 8.827 1.00 10.00 C ATOM 685 O ILE A 48 -7.981 -15.208 8.369 1.00 10.00 O ATOM 686 CB ILE A 48 -8.024 -17.401 11.064 1.00 10.00 C ATOM 687 CG1 ILE A 48 -9.078 -17.977 12.011 1.00 10.00 C ATOM 688 CG2 ILE A 48 -7.427 -16.133 11.676 1.00 10.00 C ATOM 689 CD1 ILE A 48 -8.462 -18.181 13.397 1.00 10.00 C ATOM 0 H ILE A 48 -8.891 -19.185 9.720 1.00 10.00 H new ATOM 0 HA ILE A 48 -9.553 -16.427 9.849 1.00 10.00 H new ATOM 0 HB ILE A 48 -7.235 -18.137 10.909 1.00 10.00 H new ATOM 0 HG12 ILE A 48 -9.931 -17.302 12.076 1.00 10.00 H new ATOM 0 HG13 ILE A 48 -9.451 -18.925 11.624 1.00 10.00 H new ATOM 0 HG21 ILE A 48 -6.963 -16.374 12.632 1.00 10.00 H new ATOM 0 HG22 ILE A 48 -6.676 -15.722 11.001 1.00 10.00 H new ATOM 0 HG23 ILE A 48 -8.216 -15.398 11.832 1.00 10.00 H new ATOM 0 HD11 ILE A 48 -9.213 -18.591 14.072 1.00 10.00 H new ATOM 0 HD12 ILE A 48 -7.623 -18.873 13.324 1.00 10.00 H new ATOM 0 HD13 ILE A 48 -8.111 -17.224 13.784 1.00 10.00 H new ATOM 701 N LEU A 49 -6.547 -16.860 8.573 1.00 10.00 N ATOM 702 CA LEU A 49 -5.553 -16.169 7.702 1.00 10.00 C ATOM 703 C LEU A 49 -6.260 -15.555 6.489 1.00 10.00 C ATOM 704 O LEU A 49 -5.954 -14.457 6.070 1.00 10.00 O ATOM 705 CB LEU A 49 -4.578 -17.274 7.276 1.00 10.00 C ATOM 706 CG LEU A 49 -3.847 -16.888 5.981 1.00 10.00 C ATOM 707 CD1 LEU A 49 -4.750 -17.173 4.778 1.00 10.00 C ATOM 708 CD2 LEU A 49 -3.475 -15.402 6.004 1.00 10.00 C ATOM 0 H LEU A 49 -6.253 -17.769 8.931 1.00 10.00 H new ATOM 0 HA LEU A 49 -5.039 -15.352 8.208 1.00 10.00 H new ATOM 0 HB2 LEU A 49 -3.852 -17.450 8.070 1.00 10.00 H new ATOM 0 HB3 LEU A 49 -5.121 -18.207 7.128 1.00 10.00 H new ATOM 0 HG LEU A 49 -2.934 -17.479 5.901 1.00 10.00 H new ATOM 0 HD11 LEU A 49 -4.230 -16.899 3.860 1.00 10.00 H new ATOM 0 HD12 LEU A 49 -4.997 -18.234 4.752 1.00 10.00 H new ATOM 0 HD13 LEU A 49 -5.666 -16.589 4.864 1.00 10.00 H new ATOM 0 HD21 LEU A 49 -2.958 -15.142 5.080 1.00 10.00 H new ATOM 0 HD22 LEU A 49 -4.380 -14.802 6.094 1.00 10.00 H new ATOM 0 HD23 LEU A 49 -2.822 -15.204 6.854 1.00 10.00 H new ATOM 720 N GLU A 50 -7.206 -16.255 5.924 1.00 10.00 N ATOM 721 CA GLU A 50 -7.934 -15.708 4.742 1.00 10.00 C ATOM 722 C GLU A 50 -8.831 -14.540 5.161 1.00 10.00 C ATOM 723 O GLU A 50 -8.874 -13.514 4.511 1.00 10.00 O ATOM 724 CB GLU A 50 -8.780 -16.872 4.228 1.00 10.00 C ATOM 725 CG GLU A 50 -8.588 -17.017 2.716 1.00 10.00 C ATOM 726 CD GLU A 50 -7.592 -18.144 2.434 1.00 50.00 C ATOM 727 OE1 GLU A 50 -7.427 -18.992 3.294 1.00 50.00 O ATOM 728 OE2 GLU A 50 -7.011 -18.138 1.361 1.00 50.00 O ATOM 0 H GLU A 50 -7.506 -17.181 6.229 1.00 10.00 H new ATOM 0 HA GLU A 50 -7.254 -15.326 3.981 1.00 10.00 H new ATOM 0 HB2 GLU A 50 -8.492 -17.795 4.732 1.00 10.00 H new ATOM 0 HB3 GLU A 50 -9.832 -16.699 4.456 1.00 10.00 H new ATOM 0 HG2 GLU A 50 -9.543 -17.233 2.236 1.00 10.00 H new ATOM 0 HG3 GLU A 50 -8.223 -16.081 2.293 1.00 10.00 H new ATOM 735 N ALA A 51 -9.552 -14.688 6.240 1.00 10.00 N ATOM 736 CA ALA A 51 -10.450 -13.587 6.696 1.00 10.00 C ATOM 737 C ALA A 51 -9.641 -12.336 7.032 1.00 10.00 C ATOM 738 O ALA A 51 -9.984 -11.236 6.641 1.00 10.00 O ATOM 739 CB ALA A 51 -11.141 -14.130 7.947 1.00 12.50 C ATOM 0 H ALA A 51 -9.558 -15.523 6.825 1.00 10.00 H new ATOM 0 HA ALA A 51 -11.165 -13.299 5.925 1.00 10.00 H new ATOM 0 HB1 ALA A 51 -11.821 -13.376 8.344 1.00 12.50 H new ATOM 0 HB2 ALA A 51 -11.704 -15.027 7.691 1.00 12.50 H new ATOM 0 HB3 ALA A 51 -10.391 -14.374 8.700 1.00 12.50 H new ATOM 745 N ALA A 52 -8.573 -12.495 7.754 1.00 10.00 N ATOM 746 CA ALA A 52 -7.738 -11.318 8.121 1.00 10.00 C ATOM 747 C ALA A 52 -7.025 -10.771 6.888 1.00 10.00 C ATOM 748 O ALA A 52 -7.088 -9.595 6.589 1.00 10.00 O ATOM 749 CB ALA A 52 -6.727 -11.848 9.137 1.00 10.00 C ATOM 0 H ALA A 52 -8.239 -13.391 8.108 1.00 10.00 H new ATOM 0 HA ALA A 52 -8.334 -10.502 8.530 1.00 10.00 H new ATOM 0 HB1 ALA A 52 -6.073 -11.037 9.457 1.00 10.00 H new ATOM 0 HB2 ALA A 52 -7.256 -12.250 10.001 1.00 10.00 H new ATOM 0 HB3 ALA A 52 -6.130 -12.636 8.679 1.00 10.00 H new ATOM 755 N GLU A 53 -6.351 -11.617 6.169 1.00 10.00 N ATOM 756 CA GLU A 53 -5.634 -11.151 4.951 1.00 10.00 C ATOM 757 C GLU A 53 -6.614 -10.442 4.016 1.00 10.00 C ATOM 758 O GLU A 53 -6.301 -9.433 3.415 1.00 10.00 O ATOM 759 CB GLU A 53 -5.083 -12.417 4.296 1.00 10.00 C ATOM 760 CG GLU A 53 -4.362 -12.046 2.998 1.00 10.00 C ATOM 761 CD GLU A 53 -3.006 -11.421 3.331 1.00 10.00 C ATOM 762 OE1 GLU A 53 -2.641 -11.428 4.495 1.00 10.00 O ATOM 763 OE2 GLU A 53 -2.354 -10.947 2.414 1.00 10.00 O ATOM 0 H GLU A 53 -6.264 -12.613 6.370 1.00 10.00 H new ATOM 0 HA GLU A 53 -4.838 -10.443 5.183 1.00 10.00 H new ATOM 0 HB2 GLU A 53 -4.396 -12.921 4.975 1.00 10.00 H new ATOM 0 HB3 GLU A 53 -5.894 -13.114 4.088 1.00 10.00 H new ATOM 0 HG2 GLU A 53 -4.224 -12.933 2.379 1.00 10.00 H new ATOM 0 HG3 GLU A 53 -4.966 -11.346 2.421 1.00 10.00 H new ATOM 770 N ALA A 54 -7.801 -10.959 3.904 1.00 10.00 N ATOM 771 CA ALA A 54 -8.817 -10.316 3.024 1.00 10.00 C ATOM 772 C ALA A 54 -9.397 -9.087 3.726 1.00 10.00 C ATOM 773 O ALA A 54 -10.074 -8.276 3.127 1.00 10.00 O ATOM 774 CB ALA A 54 -9.896 -11.379 2.817 1.00 50.00 C ATOM 0 H ALA A 54 -8.115 -11.802 4.384 1.00 10.00 H new ATOM 0 HA ALA A 54 -8.399 -9.980 2.075 1.00 10.00 H new ATOM 0 HB1 ALA A 54 -10.682 -10.979 2.177 1.00 50.00 H new ATOM 0 HB2 ALA A 54 -9.456 -12.257 2.345 1.00 50.00 H new ATOM 0 HB3 ALA A 54 -10.320 -11.659 3.781 1.00 50.00 H new ATOM 780 N GLN A 55 -9.131 -8.947 4.997 1.00 10.00 N ATOM 781 CA GLN A 55 -9.656 -7.774 5.749 1.00 10.00 C ATOM 782 C GLN A 55 -8.605 -6.663 5.788 1.00 10.00 C ATOM 783 O GLN A 55 -8.927 -5.491 5.777 1.00 10.00 O ATOM 784 CB GLN A 55 -9.932 -8.300 7.158 1.00 10.00 C ATOM 785 CG GLN A 55 -11.443 -8.420 7.370 1.00 10.00 C ATOM 786 CD GLN A 55 -11.980 -7.109 7.947 1.00 10.00 C ATOM 787 OE1 GLN A 55 -12.081 -6.958 9.149 1.00 10.00 O ATOM 788 NE2 GLN A 55 -12.334 -6.150 7.136 1.00 10.00 N ATOM 0 H GLN A 55 -8.571 -9.598 5.547 1.00 10.00 H new ATOM 0 HA GLN A 55 -10.550 -7.352 5.289 1.00 10.00 H new ATOM 0 HB2 GLN A 55 -9.456 -9.271 7.295 1.00 10.00 H new ATOM 0 HB3 GLN A 55 -9.502 -7.627 7.900 1.00 10.00 H new ATOM 0 HG2 GLN A 55 -11.937 -8.644 6.425 1.00 10.00 H new ATOM 0 HG3 GLN A 55 -11.662 -9.245 8.048 1.00 10.00 H new ATOM 0 HE21 GLN A 55 -12.249 -6.277 6.128 1.00 10.00 H new ATOM 0 HE22 GLN A 55 -12.696 -5.273 7.510 1.00 10.00 H new ATOM 797 N GLY A 56 -7.348 -7.020 5.824 1.00 10.00 N ATOM 798 CA GLY A 56 -6.284 -5.978 5.853 1.00 10.00 C ATOM 799 C GLY A 56 -5.187 -6.365 6.852 1.00 10.00 C ATOM 800 O GLY A 56 -4.209 -5.661 7.008 1.00 10.00 O ATOM 0 H GLY A 56 -7.015 -7.984 5.834 1.00 10.00 H new ATOM 0 HA2 GLY A 56 -5.854 -5.860 4.858 1.00 10.00 H new ATOM 0 HA3 GLY A 56 -6.715 -5.016 6.130 1.00 10.00 H new ATOM 804 N TYR A 57 -5.330 -7.473 7.530 1.00 10.00 N ATOM 805 CA TYR A 57 -4.276 -7.878 8.510 1.00 10.00 C ATOM 806 C TYR A 57 -3.325 -8.888 7.863 1.00 10.00 C ATOM 807 O TYR A 57 -3.702 -10.001 7.554 1.00 10.00 O ATOM 808 CB TYR A 57 -5.011 -8.511 9.705 1.00 10.00 C ATOM 809 CG TYR A 57 -6.381 -7.892 9.874 1.00 10.00 C ATOM 810 CD1 TYR A 57 -6.531 -6.499 9.884 1.00 10.00 C ATOM 811 CD2 TYR A 57 -7.500 -8.715 10.019 1.00 10.00 C ATOM 812 CE1 TYR A 57 -7.803 -5.934 10.042 1.00 12.50 C ATOM 813 CE2 TYR A 57 -8.770 -8.154 10.175 1.00 12.50 C ATOM 814 CZ TYR A 57 -8.923 -6.761 10.186 1.00 12.50 C ATOM 815 OH TYR A 57 -10.177 -6.205 10.339 1.00 12.50 O ATOM 0 H TYR A 57 -6.122 -8.111 7.450 1.00 10.00 H new ATOM 0 HA TYR A 57 -3.678 -7.025 8.832 1.00 10.00 H new ATOM 0 HB2 TYR A 57 -5.108 -9.586 9.552 1.00 10.00 H new ATOM 0 HB3 TYR A 57 -4.427 -8.370 10.615 1.00 10.00 H new ATOM 0 HD1 TYR A 57 -5.667 -5.861 9.770 1.00 10.00 H new ATOM 0 HD2 TYR A 57 -7.383 -9.789 10.011 1.00 10.00 H new ATOM 0 HE1 TYR A 57 -7.919 -4.860 10.053 1.00 12.50 H new ATOM 0 HE2 TYR A 57 -9.633 -8.793 10.287 1.00 12.50 H new ATOM 0 HH TYR A 57 -10.847 -6.793 9.933 1.00 12.50 H new ATOM 825 N ASP A 58 -2.097 -8.503 7.646 1.00 10.00 N ATOM 826 CA ASP A 58 -1.122 -9.434 7.008 1.00 10.00 C ATOM 827 C ASP A 58 -0.286 -10.155 8.069 1.00 10.00 C ATOM 828 O ASP A 58 0.921 -10.024 8.115 1.00 10.00 O ATOM 829 CB ASP A 58 -0.232 -8.539 6.144 1.00 10.00 C ATOM 830 CG ASP A 58 -0.324 -8.987 4.684 1.00 10.00 C ATOM 831 OD1 ASP A 58 -0.256 -10.181 4.446 1.00 10.00 O ATOM 832 OD2 ASP A 58 -0.460 -8.128 3.829 1.00 10.00 O ATOM 0 H ASP A 58 -1.726 -7.583 7.883 1.00 10.00 H new ATOM 0 HA ASP A 58 -1.619 -10.209 6.425 1.00 10.00 H new ATOM 0 HB2 ASP A 58 -0.544 -7.499 6.237 1.00 10.00 H new ATOM 0 HB3 ASP A 58 0.801 -8.594 6.488 1.00 10.00 H new ATOM 837 N TRP A 59 -0.915 -10.923 8.915 1.00 10.00 N ATOM 838 CA TRP A 59 -0.148 -11.656 9.962 1.00 10.00 C ATOM 839 C TRP A 59 0.987 -12.451 9.307 1.00 10.00 C ATOM 840 O TRP A 59 1.006 -12.628 8.105 1.00 10.00 O ATOM 841 CB TRP A 59 -1.163 -12.597 10.612 1.00 10.00 C ATOM 842 CG TRP A 59 -2.328 -11.816 11.137 1.00 10.00 C ATOM 843 CD1 TRP A 59 -3.615 -12.223 11.073 1.00 10.00 C ATOM 844 CD2 TRP A 59 -2.348 -10.515 11.807 1.00 10.00 C ATOM 845 NE1 TRP A 59 -4.419 -11.263 11.656 1.00 50.00 N ATOM 846 CE2 TRP A 59 -3.689 -10.196 12.122 1.00 50.00 C ATOM 847 CE3 TRP A 59 -1.351 -9.588 12.168 1.00 50.00 C ATOM 848 CZ2 TRP A 59 -4.033 -9.012 12.769 1.00 50.00 C ATOM 849 CZ3 TRP A 59 -1.696 -8.392 12.821 1.00 50.00 C ATOM 850 CH2 TRP A 59 -3.036 -8.106 13.120 1.00 50.00 C ATOM 0 H TRP A 59 -1.924 -11.075 8.927 1.00 10.00 H new ATOM 0 HA TRP A 59 0.307 -10.989 10.694 1.00 10.00 H new ATOM 0 HB2 TRP A 59 -1.507 -13.332 9.884 1.00 10.00 H new ATOM 0 HB3 TRP A 59 -0.690 -13.149 11.424 1.00 10.00 H new ATOM 0 HD1 TRP A 59 -3.959 -13.149 10.637 1.00 10.00 H new ATOM 0 HE1 TRP A 59 -5.433 -11.337 11.732 1.00 50.00 H new ATOM 0 HE3 TRP A 59 -0.316 -9.797 11.942 1.00 50.00 H new ATOM 0 HZ2 TRP A 59 -5.067 -8.798 12.997 1.00 50.00 H new ATOM 0 HZ3 TRP A 59 -0.924 -7.688 13.094 1.00 50.00 H new ATOM 0 HH2 TRP A 59 -3.294 -7.185 13.621 1.00 50.00 H new ATOM 861 N PRO A 60 1.906 -12.900 10.121 1.00 10.00 N ATOM 862 CA PRO A 60 3.062 -13.678 9.610 1.00 10.00 C ATOM 863 C PRO A 60 2.621 -15.060 9.120 1.00 10.00 C ATOM 864 O PRO A 60 1.673 -15.636 9.616 1.00 10.00 O ATOM 865 CB PRO A 60 3.979 -13.796 10.824 1.00 10.00 C ATOM 866 CG PRO A 60 3.072 -13.650 12.003 1.00 10.00 C ATOM 867 CD PRO A 60 1.957 -12.732 11.579 1.00 10.00 C ATOM 0 HA PRO A 60 3.547 -13.204 8.757 1.00 10.00 H new ATOM 0 HB2 PRO A 60 4.495 -14.756 10.838 1.00 10.00 H new ATOM 0 HB3 PRO A 60 4.746 -13.022 10.817 1.00 10.00 H new ATOM 0 HG2 PRO A 60 2.679 -14.619 12.312 1.00 10.00 H new ATOM 0 HG3 PRO A 60 3.610 -13.237 12.856 1.00 10.00 H new ATOM 0 HD2 PRO A 60 1.012 -13.007 12.047 1.00 10.00 H new ATOM 0 HD3 PRO A 60 2.162 -11.698 11.856 1.00 10.00 H new ATOM 875 N PHE A 61 3.311 -15.595 8.150 1.00 10.00 N ATOM 876 CA PHE A 61 2.950 -16.942 7.619 1.00 10.00 C ATOM 877 C PHE A 61 4.153 -17.544 6.892 1.00 10.00 C ATOM 878 O PHE A 61 4.950 -16.838 6.307 1.00 10.00 O ATOM 879 CB PHE A 61 1.804 -16.692 6.639 1.00 10.00 C ATOM 880 CG PHE A 61 0.515 -16.525 7.404 1.00 10.00 C ATOM 881 CD1 PHE A 61 -0.039 -17.611 8.091 1.00 10.00 C ATOM 882 CD2 PHE A 61 -0.128 -15.283 7.424 1.00 10.00 C ATOM 883 CE1 PHE A 61 -1.235 -17.455 8.800 1.00 10.00 C ATOM 884 CE2 PHE A 61 -1.324 -15.125 8.133 1.00 10.00 C ATOM 885 CZ PHE A 61 -1.878 -16.212 8.821 1.00 10.00 C ATOM 0 H PHE A 61 4.114 -15.155 7.700 1.00 10.00 H new ATOM 0 HA PHE A 61 2.661 -17.638 8.406 1.00 10.00 H new ATOM 0 HB2 PHE A 61 2.006 -15.799 6.047 1.00 10.00 H new ATOM 0 HB3 PHE A 61 1.720 -17.525 5.941 1.00 10.00 H new ATOM 0 HD1 PHE A 61 0.457 -18.570 8.074 1.00 10.00 H new ATOM 0 HD2 PHE A 61 0.299 -14.446 6.892 1.00 10.00 H new ATOM 0 HE1 PHE A 61 -1.662 -18.293 9.331 1.00 10.00 H new ATOM 0 HE2 PHE A 61 -1.820 -14.166 8.150 1.00 10.00 H new ATOM 0 HZ PHE A 61 -2.801 -16.091 9.368 1.00 10.00 H new ATOM 895 N SER A 62 4.302 -18.839 6.924 1.00 10.00 N ATOM 896 CA SER A 62 5.468 -19.457 6.233 1.00 10.00 C ATOM 897 C SER A 62 5.094 -20.808 5.615 1.00 10.00 C ATOM 898 O SER A 62 5.223 -21.011 4.424 1.00 10.00 O ATOM 899 CB SER A 62 6.518 -19.647 7.331 1.00 10.00 C ATOM 900 OG SER A 62 5.890 -19.584 8.603 1.00 10.00 O ATOM 0 H SER A 62 3.674 -19.491 7.394 1.00 10.00 H new ATOM 0 HA SER A 62 5.827 -18.834 5.414 1.00 10.00 H new ATOM 0 HB2 SER A 62 7.019 -20.607 7.208 1.00 10.00 H new ATOM 0 HB3 SER A 62 7.284 -18.876 7.253 1.00 10.00 H new ATOM 0 HG SER A 62 5.616 -20.484 8.878 1.00 10.00 H new ATOM 906 N CYS A 63 4.651 -21.740 6.414 1.00 10.00 N ATOM 907 CA CYS A 63 4.297 -23.081 5.867 1.00 10.00 C ATOM 908 C CYS A 63 2.876 -23.073 5.267 1.00 10.00 C ATOM 909 O CYS A 63 2.632 -23.653 4.229 1.00 10.00 O ATOM 910 CB CYS A 63 4.445 -24.038 7.067 1.00 10.00 C ATOM 911 SG CYS A 63 2.889 -24.204 7.977 1.00 10.00 S ATOM 0 H CYS A 63 4.519 -21.632 7.420 1.00 10.00 H new ATOM 0 HA CYS A 63 4.938 -23.391 5.042 1.00 10.00 H new ATOM 0 HB2 CYS A 63 4.768 -25.018 6.715 1.00 10.00 H new ATOM 0 HB3 CYS A 63 5.222 -23.667 7.736 1.00 10.00 H new ATOM 916 N ARG A 64 1.948 -22.399 5.894 1.00 10.00 N ATOM 917 CA ARG A 64 0.554 -22.328 5.340 1.00 10.00 C ATOM 918 C ARG A 64 -0.062 -23.724 5.161 1.00 10.00 C ATOM 919 O ARG A 64 -0.876 -23.945 4.286 1.00 10.00 O ATOM 920 CB ARG A 64 0.713 -21.639 3.985 1.00 10.00 C ATOM 921 CG ARG A 64 1.527 -20.355 4.159 1.00 10.00 C ATOM 922 CD ARG A 64 1.297 -19.435 2.959 1.00 10.00 C ATOM 923 NE ARG A 64 2.488 -19.643 2.087 1.00 10.00 N ATOM 924 CZ ARG A 64 2.345 -20.165 0.900 1.00 10.00 C ATOM 925 NH1 ARG A 64 2.493 -19.421 -0.163 1.00 10.00 N ATOM 926 NH2 ARG A 64 2.055 -21.432 0.773 1.00 10.00 N ATOM 0 H ARG A 64 2.091 -21.892 6.768 1.00 10.00 H new ATOM 0 HA ARG A 64 -0.116 -21.792 6.013 1.00 10.00 H new ATOM 0 HB2 ARG A 64 1.212 -22.306 3.282 1.00 10.00 H new ATOM 0 HB3 ARG A 64 -0.266 -21.408 3.565 1.00 10.00 H new ATOM 0 HG2 ARG A 64 1.235 -19.849 5.079 1.00 10.00 H new ATOM 0 HG3 ARG A 64 2.587 -20.594 4.249 1.00 10.00 H new ATOM 0 HD2 ARG A 64 0.375 -19.689 2.437 1.00 10.00 H new ATOM 0 HD3 ARG A 64 1.211 -18.394 3.269 1.00 10.00 H new ATOM 0 HE ARG A 64 3.415 -19.377 2.419 1.00 10.00 H new ATOM 0 HH11 ARG A 64 2.720 -18.432 -0.065 1.00 10.00 H new ATOM 0 HH12 ARG A 64 2.381 -19.829 -1.091 1.00 10.00 H new ATOM 0 HH21 ARG A 64 1.940 -22.014 1.602 1.00 10.00 H new ATOM 0 HH22 ARG A 64 1.943 -21.839 -0.156 1.00 10.00 H new ATOM 940 N ALA A 65 0.314 -24.661 5.983 1.00 10.00 N ATOM 941 CA ALA A 65 -0.250 -26.037 5.875 1.00 10.00 C ATOM 942 C ALA A 65 -0.549 -26.602 7.271 1.00 10.00 C ATOM 943 O ALA A 65 -0.975 -27.732 7.411 1.00 10.00 O ATOM 944 CB ALA A 65 0.843 -26.858 5.189 1.00 10.00 C ATOM 0 H ALA A 65 0.994 -24.533 6.732 1.00 10.00 H new ATOM 0 HA ALA A 65 -1.187 -26.056 5.319 1.00 10.00 H new ATOM 0 HB1 ALA A 65 0.505 -27.888 5.072 1.00 10.00 H new ATOM 0 HB2 ALA A 65 1.057 -26.432 4.209 1.00 10.00 H new ATOM 0 HB3 ALA A 65 1.747 -26.840 5.797 1.00 10.00 H new ATOM 950 N GLY A 66 -0.336 -25.827 8.304 1.00 10.00 N ATOM 951 CA GLY A 66 -0.616 -26.331 9.682 1.00 10.00 C ATOM 952 C GLY A 66 0.550 -27.194 10.178 1.00 10.00 C ATOM 953 O GLY A 66 0.351 -28.202 10.827 1.00 10.00 O ATOM 0 H GLY A 66 0.018 -24.872 8.253 1.00 10.00 H new ATOM 0 HA2 GLY A 66 -0.770 -25.491 10.360 1.00 10.00 H new ATOM 0 HA3 GLY A 66 -1.536 -26.915 9.683 1.00 10.00 H new ATOM 957 N ALA A 67 1.764 -26.822 9.871 1.00 10.00 N ATOM 958 CA ALA A 67 2.929 -27.642 10.323 1.00 10.00 C ATOM 959 C ALA A 67 3.994 -26.779 11.021 1.00 10.00 C ATOM 960 O ALA A 67 5.083 -27.242 11.301 1.00 10.00 O ATOM 961 CB ALA A 67 3.495 -28.253 9.042 1.00 10.00 C ATOM 0 H ALA A 67 2.000 -25.990 9.330 1.00 10.00 H new ATOM 0 HA ALA A 67 2.628 -28.395 11.052 1.00 10.00 H new ATOM 0 HB1 ALA A 67 4.358 -28.873 9.285 1.00 10.00 H new ATOM 0 HB2 ALA A 67 2.731 -28.865 8.563 1.00 10.00 H new ATOM 0 HB3 ALA A 67 3.800 -27.457 8.363 1.00 10.00 H new ATOM 967 N CYS A 68 3.700 -25.540 11.315 1.00 10.00 N ATOM 968 CA CYS A 68 4.714 -24.682 12.004 1.00 10.00 C ATOM 969 C CYS A 68 4.019 -23.710 12.974 1.00 10.00 C ATOM 970 O CYS A 68 2.830 -23.801 13.202 1.00 10.00 O ATOM 971 CB CYS A 68 5.474 -23.959 10.874 1.00 10.00 C ATOM 972 SG CYS A 68 4.712 -22.364 10.465 1.00 10.00 S ATOM 0 H CYS A 68 2.810 -25.086 11.111 1.00 10.00 H new ATOM 0 HA CYS A 68 5.408 -25.257 12.618 1.00 10.00 H new ATOM 0 HB2 CYS A 68 6.509 -23.801 11.175 1.00 10.00 H new ATOM 0 HB3 CYS A 68 5.493 -24.591 9.986 1.00 10.00 H new ATOM 977 N ALA A 69 4.749 -22.799 13.570 1.00 10.00 N ATOM 978 CA ALA A 69 4.105 -21.858 14.540 1.00 10.00 C ATOM 979 C ALA A 69 4.344 -20.395 14.145 1.00 10.00 C ATOM 980 O ALA A 69 4.054 -19.487 14.898 1.00 10.00 O ATOM 981 CB ALA A 69 4.774 -22.160 15.881 1.00 25.00 C ATOM 0 H ALA A 69 5.751 -22.666 13.430 1.00 10.00 H new ATOM 0 HA ALA A 69 3.024 -21.993 14.570 1.00 10.00 H new ATOM 0 HB1 ALA A 69 4.357 -21.510 16.650 1.00 25.00 H new ATOM 0 HB2 ALA A 69 4.596 -23.201 16.150 1.00 25.00 H new ATOM 0 HB3 ALA A 69 5.847 -21.984 15.800 1.00 25.00 H new ATOM 987 N ASN A 70 4.864 -20.157 12.975 1.00 10.00 N ATOM 988 CA ASN A 70 5.113 -18.752 12.541 1.00 10.00 C ATOM 989 C ASN A 70 3.807 -17.950 12.576 1.00 10.00 C ATOM 990 O ASN A 70 3.807 -16.755 12.791 1.00 10.00 O ATOM 991 CB ASN A 70 5.628 -18.868 11.106 1.00 50.00 C ATOM 992 CG ASN A 70 6.993 -19.558 11.108 1.00 50.00 C ATOM 993 OD1 ASN A 70 7.097 -20.725 11.431 1.00 50.00 O ATOM 994 ND2 ASN A 70 8.053 -18.881 10.759 1.00 50.00 N ATOM 0 H ASN A 70 5.128 -20.874 12.299 1.00 10.00 H new ATOM 0 HA ASN A 70 5.822 -18.238 13.190 1.00 10.00 H new ATOM 0 HB2 ASN A 70 4.922 -19.436 10.500 1.00 50.00 H new ATOM 0 HB3 ASN A 70 5.710 -17.878 10.657 1.00 50.00 H new ATOM 0 HD21 ASN A 70 8.968 -19.331 10.757 1.00 50.00 H new ATOM 0 HD22 ASN A 70 7.966 -17.902 10.488 1.00 50.00 H new ATOM 1001 N CYS A 71 2.694 -18.601 12.370 1.00 10.00 N ATOM 1002 CA CYS A 71 1.389 -17.877 12.394 1.00 10.00 C ATOM 1003 C CYS A 71 0.680 -18.111 13.733 1.00 10.00 C ATOM 1004 O CYS A 71 -0.356 -17.536 14.007 1.00 10.00 O ATOM 1005 CB CYS A 71 0.579 -18.479 11.237 1.00 10.00 C ATOM 1006 SG CYS A 71 -0.088 -20.095 11.723 1.00 10.00 S ATOM 0 H CYS A 71 2.631 -19.602 12.186 1.00 10.00 H new ATOM 0 HA CYS A 71 1.510 -16.799 12.285 1.00 10.00 H new ATOM 0 HB2 CYS A 71 -0.235 -17.807 10.964 1.00 10.00 H new ATOM 0 HB3 CYS A 71 1.212 -18.587 10.356 1.00 10.00 H new ATOM 1011 N ALA A 72 1.227 -18.962 14.558 1.00 10.00 N ATOM 1012 CA ALA A 72 0.591 -19.256 15.877 1.00 10.00 C ATOM 1013 C ALA A 72 0.011 -17.982 16.498 1.00 10.00 C ATOM 1014 O ALA A 72 0.473 -16.886 16.248 1.00 10.00 O ATOM 1015 CB ALA A 72 1.724 -19.804 16.745 1.00 10.00 C ATOM 0 H ALA A 72 2.092 -19.470 14.375 1.00 10.00 H new ATOM 0 HA ALA A 72 -0.236 -19.960 15.782 1.00 10.00 H new ATOM 0 HB1 ALA A 72 1.339 -20.046 17.736 1.00 10.00 H new ATOM 0 HB2 ALA A 72 2.132 -20.704 16.285 1.00 10.00 H new ATOM 0 HB3 ALA A 72 2.509 -19.054 16.834 1.00 10.00 H new ATOM 1021 N SER A 73 -0.997 -18.126 17.314 1.00 10.00 N ATOM 1022 CA SER A 73 -1.619 -16.939 17.967 1.00 10.00 C ATOM 1023 C SER A 73 -2.019 -17.291 19.399 1.00 10.00 C ATOM 1024 O SER A 73 -1.550 -18.258 19.961 1.00 10.00 O ATOM 1025 CB SER A 73 -2.855 -16.625 17.124 1.00 50.00 C ATOM 1026 OG SER A 73 -2.498 -15.740 16.072 1.00 50.00 O ATOM 0 H SER A 73 -1.420 -19.022 17.558 1.00 10.00 H new ATOM 0 HA SER A 73 -0.941 -16.087 18.021 1.00 10.00 H new ATOM 0 HB2 SER A 73 -3.272 -17.545 16.714 1.00 50.00 H new ATOM 0 HB3 SER A 73 -3.628 -16.174 17.746 1.00 50.00 H new ATOM 0 HG SER A 73 -1.540 -15.827 15.882 1.00 50.00 H new ATOM 1032 N ILE A 74 -2.877 -16.513 19.991 1.00 10.00 N ATOM 1033 CA ILE A 74 -3.313 -16.802 21.385 1.00 10.00 C ATOM 1034 C ILE A 74 -4.804 -16.488 21.537 1.00 10.00 C ATOM 1035 O ILE A 74 -5.181 -15.522 22.170 1.00 10.00 O ATOM 1036 CB ILE A 74 -2.475 -15.877 22.268 1.00 10.00 C ATOM 1037 CG1 ILE A 74 -0.988 -16.144 22.024 1.00 10.00 C ATOM 1038 CG2 ILE A 74 -2.801 -16.145 23.738 1.00 50.00 C ATOM 1039 CD1 ILE A 74 -0.626 -17.536 22.546 1.00 10.00 C ATOM 0 H ILE A 74 -3.298 -15.685 19.569 1.00 10.00 H new ATOM 0 HA ILE A 74 -3.175 -17.849 21.655 1.00 10.00 H new ATOM 0 HB ILE A 74 -2.704 -14.839 22.024 1.00 10.00 H new ATOM 0 HG12 ILE A 74 -0.765 -16.074 20.959 1.00 10.00 H new ATOM 0 HG13 ILE A 74 -0.385 -15.388 22.526 1.00 10.00 H new ATOM 0 HG21 ILE A 74 -2.204 -15.486 24.369 1.00 50.00 H new ATOM 0 HG22 ILE A 74 -3.860 -15.957 23.916 1.00 50.00 H new ATOM 0 HG23 ILE A 74 -2.572 -17.183 23.978 1.00 50.00 H new ATOM 0 HD11 ILE A 74 0.433 -17.726 22.372 1.00 10.00 H new ATOM 0 HD12 ILE A 74 -0.833 -17.589 23.615 1.00 10.00 H new ATOM 0 HD13 ILE A 74 -1.220 -18.286 22.024 1.00 10.00 H new ATOM 1051 N VAL A 75 -5.654 -17.295 20.956 1.00 10.00 N ATOM 1052 CA VAL A 75 -7.123 -17.041 21.063 1.00 10.00 C ATOM 1053 C VAL A 75 -7.480 -16.606 22.486 1.00 10.00 C ATOM 1054 O VAL A 75 -7.317 -17.352 23.431 1.00 10.00 O ATOM 1055 CB VAL A 75 -7.781 -18.379 20.727 1.00 50.00 C ATOM 1056 CG1 VAL A 75 -7.426 -19.403 21.805 1.00 50.00 C ATOM 1057 CG2 VAL A 75 -9.301 -18.200 20.671 1.00 50.00 C ATOM 0 H VAL A 75 -5.395 -18.118 20.412 1.00 10.00 H new ATOM 0 HA VAL A 75 -7.456 -16.246 20.396 1.00 10.00 H new ATOM 0 HB VAL A 75 -7.422 -18.730 19.760 1.00 50.00 H new ATOM 0 HG11 VAL A 75 -7.894 -20.358 21.568 1.00 50.00 H new ATOM 0 HG12 VAL A 75 -6.344 -19.529 21.845 1.00 50.00 H new ATOM 0 HG13 VAL A 75 -7.786 -19.053 22.772 1.00 50.00 H new ATOM 0 HG21 VAL A 75 -9.771 -19.154 20.431 1.00 50.00 H new ATOM 0 HG22 VAL A 75 -9.662 -17.850 21.638 1.00 50.00 H new ATOM 0 HG23 VAL A 75 -9.553 -17.468 19.903 1.00 50.00 H new ATOM 1067 N LYS A 76 -7.959 -15.402 22.653 1.00 10.00 N ATOM 1068 CA LYS A 76 -8.313 -14.927 24.021 1.00 10.00 C ATOM 1069 C LYS A 76 -9.734 -15.360 24.389 1.00 10.00 C ATOM 1070 O LYS A 76 -10.181 -15.166 25.502 1.00 10.00 O ATOM 1071 CB LYS A 76 -8.220 -13.403 23.951 1.00 25.00 C ATOM 1072 CG LYS A 76 -8.616 -12.806 25.304 1.00 25.00 C ATOM 1073 CD LYS A 76 -9.985 -12.132 25.183 1.00 50.00 C ATOM 1074 CE LYS A 76 -10.163 -11.133 26.328 1.00 50.00 C ATOM 1075 NZ LYS A 76 -11.603 -10.754 26.284 1.00 50.00 N ATOM 0 H LYS A 76 -8.120 -14.729 21.903 1.00 10.00 H new ATOM 0 HA LYS A 76 -7.651 -15.343 24.781 1.00 10.00 H new ATOM 0 HB2 LYS A 76 -7.205 -13.101 23.691 1.00 25.00 H new ATOM 0 HB3 LYS A 76 -8.876 -13.023 23.168 1.00 25.00 H new ATOM 0 HG2 LYS A 76 -8.649 -13.588 26.063 1.00 25.00 H new ATOM 0 HG3 LYS A 76 -7.869 -12.081 25.626 1.00 25.00 H new ATOM 0 HD2 LYS A 76 -10.067 -11.621 24.224 1.00 50.00 H new ATOM 0 HD3 LYS A 76 -10.776 -12.882 25.214 1.00 50.00 H new ATOM 0 HE2 LYS A 76 -9.901 -11.580 27.287 1.00 50.00 H new ATOM 0 HE3 LYS A 76 -9.521 -10.262 26.196 1.00 50.00 H new ATOM 0 HZ1 LYS A 76 -11.805 -10.070 27.041 1.00 50.00 H new ATOM 0 HZ2 LYS A 76 -11.821 -10.325 25.362 1.00 50.00 H new ATOM 0 HZ3 LYS A 76 -12.189 -11.602 26.419 1.00 50.00 H new ATOM 1089 N GLU A 77 -10.450 -15.942 23.467 1.00 10.00 N ATOM 1090 CA GLU A 77 -11.840 -16.381 23.776 1.00 10.00 C ATOM 1091 C GLU A 77 -12.538 -16.884 22.510 1.00 10.00 C ATOM 1092 O GLU A 77 -12.052 -16.713 21.410 1.00 10.00 O ATOM 1093 CB GLU A 77 -12.538 -15.130 24.309 1.00 10.00 C ATOM 1094 CG GLU A 77 -13.089 -15.411 25.707 1.00 10.00 C ATOM 1095 CD GLU A 77 -14.180 -16.479 25.619 1.00 25.00 C ATOM 1096 OE1 GLU A 77 -15.321 -16.114 25.392 1.00 25.00 O ATOM 1097 OE2 GLU A 77 -13.856 -17.645 25.782 1.00 25.00 O ATOM 0 H GLU A 77 -10.134 -16.132 22.516 1.00 10.00 H new ATOM 0 HA GLU A 77 -11.861 -17.201 24.493 1.00 10.00 H new ATOM 0 HB2 GLU A 77 -11.837 -14.296 24.344 1.00 10.00 H new ATOM 0 HB3 GLU A 77 -13.347 -14.839 23.639 1.00 10.00 H new ATOM 0 HG2 GLU A 77 -12.288 -15.748 26.365 1.00 10.00 H new ATOM 0 HG3 GLU A 77 -13.494 -14.497 26.141 1.00 10.00 H new ATOM 1104 N GLY A 78 -13.679 -17.503 22.660 1.00 10.00 N ATOM 1105 CA GLY A 78 -14.411 -18.017 21.470 1.00 10.00 C ATOM 1106 C GLY A 78 -13.973 -19.455 21.186 1.00 10.00 C ATOM 1107 O GLY A 78 -13.622 -20.196 22.083 1.00 10.00 O ATOM 0 H GLY A 78 -14.134 -17.674 23.557 1.00 10.00 H new ATOM 0 HA2 GLY A 78 -15.486 -17.981 21.647 1.00 10.00 H new ATOM 0 HA3 GLY A 78 -14.209 -17.386 20.604 1.00 10.00 H new ATOM 1111 N GLU A 79 -13.990 -19.856 19.945 1.00 10.00 N ATOM 1112 CA GLU A 79 -13.571 -21.245 19.604 1.00 10.00 C ATOM 1113 C GLU A 79 -13.220 -21.337 18.117 1.00 10.00 C ATOM 1114 O GLU A 79 -13.879 -20.756 17.278 1.00 10.00 O ATOM 1115 CB GLU A 79 -14.785 -22.121 19.925 1.00 25.00 C ATOM 1116 CG GLU A 79 -14.449 -23.584 19.629 1.00 25.00 C ATOM 1117 CD GLU A 79 -14.890 -24.458 20.803 1.00 50.00 C ATOM 1118 OE1 GLU A 79 -16.064 -24.786 20.866 1.00 50.00 O ATOM 1119 OE2 GLU A 79 -14.046 -24.786 21.621 1.00 50.00 O ATOM 0 H GLU A 79 -14.276 -19.282 19.152 1.00 10.00 H new ATOM 0 HA GLU A 79 -12.688 -21.558 20.161 1.00 10.00 H new ATOM 0 HB2 GLU A 79 -15.064 -22.005 20.972 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -15.642 -21.806 19.330 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -14.949 -23.905 18.715 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -13.378 -23.695 19.462 1.00 25.00 H new ATOM 1126 N ILE A 80 -12.183 -22.056 17.786 1.00 10.00 N ATOM 1127 CA ILE A 80 -11.791 -22.180 16.352 1.00 10.00 C ATOM 1128 C ILE A 80 -11.659 -23.656 15.965 1.00 10.00 C ATOM 1129 O ILE A 80 -11.345 -24.497 16.784 1.00 10.00 O ATOM 1130 CB ILE A 80 -10.438 -21.475 16.252 1.00 10.00 C ATOM 1131 CG1 ILE A 80 -10.601 -19.998 16.615 1.00 10.00 C ATOM 1132 CG2 ILE A 80 -9.908 -21.591 14.821 1.00 10.00 C ATOM 1133 CD1 ILE A 80 -9.239 -19.305 16.550 1.00 50.00 C ATOM 0 H ILE A 80 -11.591 -22.562 18.444 1.00 10.00 H new ATOM 0 HA ILE A 80 -12.530 -21.742 15.681 1.00 10.00 H new ATOM 0 HB ILE A 80 -9.735 -21.942 16.941 1.00 10.00 H new ATOM 0 HG12 ILE A 80 -11.298 -19.518 15.928 1.00 10.00 H new ATOM 0 HG13 ILE A 80 -11.022 -19.903 17.616 1.00 10.00 H new ATOM 0 HG21 ILE A 80 -8.943 -21.089 14.748 1.00 10.00 H new ATOM 0 HG22 ILE A 80 -9.790 -22.643 14.561 1.00 10.00 H new ATOM 0 HG23 ILE A 80 -10.613 -21.124 14.133 1.00 10.00 H new ATOM 0 HD11 ILE A 80 -9.354 -18.252 16.808 1.00 50.00 H new ATOM 0 HD12 ILE A 80 -8.556 -19.779 17.254 1.00 50.00 H new ATOM 0 HD13 ILE A 80 -8.836 -19.389 15.541 1.00 50.00 H new ATOM 1145 N ASP A 81 -11.895 -23.976 14.721 1.00 10.00 N ATOM 1146 CA ASP A 81 -11.782 -25.397 14.282 1.00 10.00 C ATOM 1147 C ASP A 81 -10.545 -25.585 13.401 1.00 10.00 C ATOM 1148 O ASP A 81 -10.069 -24.658 12.776 1.00 10.00 O ATOM 1149 CB ASP A 81 -13.057 -25.669 13.481 1.00 10.00 C ATOM 1150 CG ASP A 81 -13.949 -26.642 14.256 1.00 10.00 C ATOM 1151 OD1 ASP A 81 -14.248 -26.354 15.403 1.00 10.00 O ATOM 1152 OD2 ASP A 81 -14.314 -27.658 13.689 1.00 10.00 O ATOM 0 H ASP A 81 -12.161 -23.316 13.990 1.00 10.00 H new ATOM 0 HA ASP A 81 -11.677 -26.080 15.125 1.00 10.00 H new ATOM 0 HB2 ASP A 81 -13.591 -24.736 13.299 1.00 10.00 H new ATOM 0 HB3 ASP A 81 -12.805 -26.088 12.507 1.00 10.00 H new ATOM 1157 N MET A 82 -10.019 -26.778 13.348 1.00 12.50 N ATOM 1158 CA MET A 82 -8.810 -27.025 12.508 1.00 12.50 C ATOM 1159 C MET A 82 -8.772 -28.483 12.042 1.00 12.50 C ATOM 1160 O MET A 82 -9.727 -29.218 12.191 1.00 12.50 O ATOM 1161 CB MET A 82 -7.624 -26.722 13.423 1.00 12.50 C ATOM 1162 CG MET A 82 -7.671 -27.645 14.642 1.00 12.50 C ATOM 1163 SD MET A 82 -6.037 -28.378 14.905 1.00 12.50 S ATOM 1164 CE MET A 82 -6.426 -29.264 16.433 1.00 50.00 C ATOM 0 H MET A 82 -10.373 -27.593 13.849 1.00 12.50 H new ATOM 0 HA MET A 82 -8.801 -26.408 11.609 1.00 12.50 H new ATOM 0 HB2 MET A 82 -6.688 -26.864 12.882 1.00 12.50 H new ATOM 0 HB3 MET A 82 -7.654 -25.680 13.741 1.00 12.50 H new ATOM 0 HG2 MET A 82 -7.976 -27.084 15.525 1.00 12.50 H new ATOM 0 HG3 MET A 82 -8.413 -28.429 14.490 1.00 12.50 H new ATOM 0 HE1 MET A 82 -5.541 -29.797 16.780 1.00 50.00 H new ATOM 0 HE2 MET A 82 -6.743 -28.553 17.196 1.00 50.00 H new ATOM 0 HE3 MET A 82 -7.229 -29.977 16.246 1.00 50.00 H new ATOM 1174 N ASP A 83 -7.673 -28.903 11.477 1.00 50.00 N ATOM 1175 CA ASP A 83 -7.568 -30.312 10.999 1.00 50.00 C ATOM 1176 C ASP A 83 -6.765 -31.154 11.994 1.00 50.00 C ATOM 1177 O ASP A 83 -6.184 -30.641 12.928 1.00 50.00 O ATOM 1178 CB ASP A 83 -6.833 -30.219 9.661 1.00 50.00 C ATOM 1179 CG ASP A 83 -7.687 -29.432 8.664 1.00 50.00 C ATOM 1180 OD1 ASP A 83 -8.689 -29.967 8.221 1.00 50.00 O ATOM 1181 OD2 ASP A 83 -7.322 -28.308 8.359 1.00 50.00 O ATOM 0 H ASP A 83 -6.842 -28.331 11.325 1.00 50.00 H new ATOM 0 HA ASP A 83 -8.544 -30.787 10.899 1.00 50.00 H new ATOM 0 HB2 ASP A 83 -5.869 -29.729 9.797 1.00 50.00 H new ATOM 0 HB3 ASP A 83 -6.631 -31.218 9.274 1.00 50.00 H new ATOM 1186 N MET A 84 -6.729 -32.444 11.798 1.00 50.00 N ATOM 1187 CA MET A 84 -5.962 -33.319 12.731 1.00 50.00 C ATOM 1188 C MET A 84 -4.459 -33.096 12.549 1.00 50.00 C ATOM 1189 O MET A 84 -3.922 -33.270 11.473 1.00 50.00 O ATOM 1190 CB MET A 84 -6.342 -34.748 12.340 1.00 50.00 C ATOM 1191 CG MET A 84 -7.783 -35.029 12.771 1.00 50.00 C ATOM 1192 SD MET A 84 -8.591 -36.066 11.527 1.00 50.00 S ATOM 1193 CE MET A 84 -9.835 -36.801 12.617 1.00 50.00 C ATOM 0 H MET A 84 -7.197 -32.930 11.033 1.00 50.00 H new ATOM 0 HA MET A 84 -6.191 -33.108 13.776 1.00 50.00 H new ATOM 0 HB2 MET A 84 -6.241 -34.881 11.263 1.00 50.00 H new ATOM 0 HB3 MET A 84 -5.664 -35.458 12.814 1.00 50.00 H new ATOM 0 HG2 MET A 84 -7.794 -35.529 13.740 1.00 50.00 H new ATOM 0 HG3 MET A 84 -8.328 -34.093 12.889 1.00 50.00 H new ATOM 0 HE1 MET A 84 -10.458 -37.489 12.046 1.00 50.00 H new ATOM 0 HE2 MET A 84 -9.339 -37.343 13.422 1.00 50.00 H new ATOM 0 HE3 MET A 84 -10.458 -36.014 13.041 1.00 50.00 H new ATOM 1203 N GLN A 85 -3.776 -32.711 13.592 1.00 16.66 N ATOM 1204 CA GLN A 85 -2.308 -32.477 13.476 1.00 16.66 C ATOM 1205 C GLN A 85 -1.657 -32.494 14.864 1.00 16.66 C ATOM 1206 O GLN A 85 -2.330 -32.474 15.876 1.00 16.66 O ATOM 1207 CB GLN A 85 -2.180 -31.093 12.839 1.00 16.66 C ATOM 1208 CG GLN A 85 -1.698 -31.241 11.394 1.00 16.66 C ATOM 1209 CD GLN A 85 -0.221 -31.639 11.387 1.00 16.66 C ATOM 1210 OE1 GLN A 85 0.112 -32.777 11.126 1.00 16.66 O ATOM 1211 NE2 GLN A 85 0.685 -30.742 11.666 1.00 16.66 N ATOM 0 H GLN A 85 -4.170 -32.548 14.519 1.00 16.66 H new ATOM 0 HA GLN A 85 -1.811 -33.246 12.885 1.00 16.66 H new ATOM 0 HB2 GLN A 85 -3.141 -30.579 12.863 1.00 16.66 H new ATOM 0 HB3 GLN A 85 -1.478 -30.482 13.407 1.00 16.66 H new ATOM 0 HG2 GLN A 85 -2.291 -31.995 10.877 1.00 16.66 H new ATOM 0 HG3 GLN A 85 -1.835 -30.303 10.856 1.00 16.66 H new ATOM 0 HE21 GLN A 85 0.405 -29.786 11.885 1.00 16.66 H new ATOM 0 HE22 GLN A 85 1.673 -30.997 11.665 1.00 16.66 H new ATOM 1220 N GLN A 86 -0.354 -32.530 14.918 1.00 16.66 N ATOM 1221 CA GLN A 86 0.336 -32.549 16.241 1.00 16.66 C ATOM 1222 C GLN A 86 1.255 -31.333 16.375 1.00 16.66 C ATOM 1223 O GLN A 86 2.329 -31.412 16.938 1.00 16.66 O ATOM 1224 CB GLN A 86 1.150 -33.844 16.247 1.00 16.66 C ATOM 1225 CG GLN A 86 2.246 -33.770 15.180 1.00 16.66 C ATOM 1226 CD GLN A 86 2.814 -35.169 14.937 1.00 50.00 C ATOM 1227 OE1 GLN A 86 3.957 -35.437 15.252 1.00 50.00 O ATOM 1228 NE2 GLN A 86 2.060 -36.081 14.387 1.00 50.00 N ATOM 0 H GLN A 86 0.263 -32.547 14.106 1.00 16.66 H new ATOM 0 HA GLN A 86 -0.366 -32.508 17.074 1.00 16.66 H new ATOM 0 HB2 GLN A 86 1.596 -34.000 17.229 1.00 16.66 H new ATOM 0 HB3 GLN A 86 0.498 -34.696 16.054 1.00 16.66 H new ATOM 0 HG2 GLN A 86 1.840 -33.364 14.253 1.00 16.66 H new ATOM 0 HG3 GLN A 86 3.038 -33.095 15.503 1.00 16.66 H new ATOM 0 HE21 GLN A 86 1.101 -35.858 14.122 1.00 50.00 H new ATOM 0 HE22 GLN A 86 2.430 -37.017 14.222 1.00 50.00 H new ATOM 1237 N ILE A 87 0.840 -30.207 15.864 1.00 12.50 N ATOM 1238 CA ILE A 87 1.689 -28.985 15.961 1.00 12.50 C ATOM 1239 C ILE A 87 1.696 -28.456 17.398 1.00 12.50 C ATOM 1240 O ILE A 87 2.601 -27.758 17.807 1.00 12.50 O ATOM 1241 CB ILE A 87 1.033 -27.974 15.022 1.00 50.00 C ATOM 1242 CG1 ILE A 87 1.880 -26.700 14.971 1.00 50.00 C ATOM 1243 CG2 ILE A 87 -0.368 -27.636 15.536 1.00 50.00 C ATOM 1244 CD1 ILE A 87 3.192 -26.989 14.237 1.00 50.00 C ATOM 0 H ILE A 87 -0.050 -30.080 15.383 1.00 12.50 H new ATOM 0 HA ILE A 87 2.727 -29.181 15.691 1.00 12.50 H new ATOM 0 HB ILE A 87 0.960 -28.401 14.022 1.00 50.00 H new ATOM 0 HG12 ILE A 87 1.333 -25.907 14.461 1.00 50.00 H new ATOM 0 HG13 ILE A 87 2.086 -26.347 15.981 1.00 50.00 H new ATOM 0 HG21 ILE A 87 -0.837 -26.915 14.867 1.00 50.00 H new ATOM 0 HG22 ILE A 87 -0.971 -28.543 15.572 1.00 50.00 H new ATOM 0 HG23 ILE A 87 -0.295 -27.209 16.536 1.00 50.00 H new ATOM 0 HD11 ILE A 87 3.796 -26.082 14.200 1.00 50.00 H new ATOM 0 HD12 ILE A 87 3.740 -27.769 14.765 1.00 50.00 H new ATOM 0 HD13 ILE A 87 2.975 -27.322 13.222 1.00 50.00 H new ATOM 1256 N LEU A 88 0.693 -28.784 18.165 1.00 12.50 N ATOM 1257 CA LEU A 88 0.642 -28.299 19.575 1.00 12.50 C ATOM 1258 C LEU A 88 -0.064 -29.329 20.462 1.00 12.50 C ATOM 1259 O LEU A 88 -0.567 -30.328 19.987 1.00 12.50 O ATOM 1260 CB LEU A 88 -0.159 -26.999 19.517 1.00 12.50 C ATOM 1261 CG LEU A 88 -1.494 -27.254 18.818 1.00 12.50 C ATOM 1262 CD1 LEU A 88 -2.513 -27.764 19.839 1.00 12.50 C ATOM 1263 CD2 LEU A 88 -2.001 -25.952 18.194 1.00 12.50 C ATOM 0 H LEU A 88 -0.093 -29.366 17.877 1.00 12.50 H new ATOM 0 HA LEU A 88 1.635 -28.146 19.997 1.00 12.50 H new ATOM 0 HB2 LEU A 88 -0.330 -26.620 20.524 1.00 12.50 H new ATOM 0 HB3 LEU A 88 0.405 -26.236 18.981 1.00 12.50 H new ATOM 0 HG LEU A 88 -1.359 -28.001 18.036 1.00 12.50 H new ATOM 0 HD11 LEU A 88 -3.466 -27.946 19.342 1.00 12.50 H new ATOM 0 HD12 LEU A 88 -2.151 -28.692 20.282 1.00 12.50 H new ATOM 0 HD13 LEU A 88 -2.649 -27.017 20.621 1.00 12.50 H new ATOM 0 HD21 LEU A 88 -2.953 -26.134 17.696 1.00 12.50 H new ATOM 0 HD22 LEU A 88 -2.137 -25.203 18.974 1.00 12.50 H new ATOM 0 HD23 LEU A 88 -1.274 -25.590 17.467 1.00 12.50 H new ATOM 1275 N SER A 89 -0.105 -29.097 21.745 1.00 12.50 N ATOM 1276 CA SER A 89 -0.778 -30.068 22.657 1.00 12.50 C ATOM 1277 C SER A 89 -2.047 -29.449 23.252 1.00 12.50 C ATOM 1278 O SER A 89 -2.183 -28.245 23.333 1.00 12.50 O ATOM 1279 CB SER A 89 0.244 -30.354 23.758 1.00 12.50 C ATOM 1280 OG SER A 89 0.371 -31.757 23.935 1.00 12.50 O ATOM 0 H SER A 89 0.297 -28.279 22.202 1.00 12.50 H new ATOM 0 HA SER A 89 -1.083 -30.976 22.137 1.00 12.50 H new ATOM 0 HB2 SER A 89 1.209 -29.921 23.494 1.00 12.50 H new ATOM 0 HB3 SER A 89 -0.070 -29.886 24.691 1.00 12.50 H new ATOM 0 HG SER A 89 1.027 -31.940 24.639 1.00 12.50 H new ATOM 1286 N ASP A 90 -2.975 -30.265 23.668 1.00 10.00 N ATOM 1287 CA ASP A 90 -4.236 -29.728 24.257 1.00 10.00 C ATOM 1288 C ASP A 90 -3.916 -28.670 25.316 1.00 10.00 C ATOM 1289 O ASP A 90 -4.540 -27.630 25.376 1.00 10.00 O ATOM 1290 CB ASP A 90 -4.922 -30.939 24.892 1.00 10.00 C ATOM 1291 CG ASP A 90 -6.399 -30.623 25.138 1.00 10.00 C ATOM 1292 OD1 ASP A 90 -6.862 -29.616 24.630 1.00 10.00 O ATOM 1293 OD2 ASP A 90 -7.041 -31.395 25.831 1.00 10.00 O ATOM 0 H ASP A 90 -2.916 -31.282 23.626 1.00 10.00 H new ATOM 0 HA ASP A 90 -4.870 -29.246 23.512 1.00 10.00 H new ATOM 0 HB2 ASP A 90 -4.829 -31.806 24.238 1.00 10.00 H new ATOM 0 HB3 ASP A 90 -4.433 -31.195 25.832 1.00 10.00 H new ATOM 1298 N GLU A 91 -2.946 -28.923 26.147 1.00 12.50 N ATOM 1299 CA GLU A 91 -2.584 -27.925 27.196 1.00 12.50 C ATOM 1300 C GLU A 91 -2.221 -26.590 26.542 1.00 12.50 C ATOM 1301 O GLU A 91 -2.335 -25.540 27.142 1.00 12.50 O ATOM 1302 CB GLU A 91 -1.367 -28.516 27.909 1.00 12.50 C ATOM 1303 CG GLU A 91 -1.825 -29.558 28.931 1.00 12.50 C ATOM 1304 CD GLU A 91 -0.601 -30.185 29.601 1.00 50.00 C ATOM 1305 OE1 GLU A 91 0.484 -29.654 29.426 1.00 50.00 O ATOM 1306 OE2 GLU A 91 -0.768 -31.185 30.281 1.00 50.00 O ATOM 0 H GLU A 91 -2.387 -29.776 26.147 1.00 12.50 H new ATOM 0 HA GLU A 91 -3.406 -27.735 27.886 1.00 12.50 H new ATOM 0 HB2 GLU A 91 -0.695 -28.975 27.183 1.00 12.50 H new ATOM 0 HB3 GLU A 91 -0.806 -27.726 28.407 1.00 12.50 H new ATOM 0 HG2 GLU A 91 -2.465 -29.092 29.680 1.00 12.50 H new ATOM 0 HG3 GLU A 91 -2.419 -30.329 28.440 1.00 12.50 H new ATOM 1313 N GLU A 92 -1.785 -26.626 25.312 1.00 10.00 N ATOM 1314 CA GLU A 92 -1.412 -25.365 24.613 1.00 10.00 C ATOM 1315 C GLU A 92 -2.668 -24.572 24.243 1.00 10.00 C ATOM 1316 O GLU A 92 -2.694 -23.361 24.315 1.00 10.00 O ATOM 1317 CB GLU A 92 -0.675 -25.816 23.352 1.00 50.00 C ATOM 1318 CG GLU A 92 0.696 -25.139 23.293 1.00 50.00 C ATOM 1319 CD GLU A 92 1.605 -25.733 24.370 1.00 50.00 C ATOM 1320 OE1 GLU A 92 2.127 -26.813 24.147 1.00 50.00 O ATOM 1321 OE2 GLU A 92 1.763 -25.099 25.399 1.00 50.00 O ATOM 0 H GLU A 92 -1.671 -27.477 24.761 1.00 10.00 H new ATOM 0 HA GLU A 92 -0.798 -24.715 25.236 1.00 10.00 H new ATOM 0 HB2 GLU A 92 -0.558 -26.900 23.354 1.00 50.00 H new ATOM 0 HB3 GLU A 92 -1.257 -25.560 22.467 1.00 50.00 H new ATOM 0 HG2 GLU A 92 1.141 -25.280 22.308 1.00 50.00 H new ATOM 0 HG3 GLU A 92 0.590 -24.065 23.444 1.00 50.00 H new ATOM 1328 N VAL A 93 -3.709 -25.250 23.842 1.00 10.00 N ATOM 1329 CA VAL A 93 -4.961 -24.535 23.463 1.00 10.00 C ATOM 1330 C VAL A 93 -5.728 -24.100 24.717 1.00 10.00 C ATOM 1331 O VAL A 93 -6.573 -23.228 24.667 1.00 10.00 O ATOM 1332 CB VAL A 93 -5.770 -25.555 22.651 1.00 10.00 C ATOM 1333 CG1 VAL A 93 -6.501 -26.514 23.594 1.00 10.00 C ATOM 1334 CG2 VAL A 93 -6.792 -24.817 21.783 1.00 10.00 C ATOM 0 H VAL A 93 -3.747 -26.266 23.761 1.00 10.00 H new ATOM 0 HA VAL A 93 -4.763 -23.628 22.891 1.00 10.00 H new ATOM 0 HB VAL A 93 -5.092 -26.126 22.017 1.00 10.00 H new ATOM 0 HG11 VAL A 93 -7.073 -27.234 23.009 1.00 10.00 H new ATOM 0 HG12 VAL A 93 -5.774 -27.043 24.211 1.00 10.00 H new ATOM 0 HG13 VAL A 93 -7.178 -25.949 24.235 1.00 10.00 H new ATOM 0 HG21 VAL A 93 -7.368 -25.540 21.205 1.00 10.00 H new ATOM 0 HG22 VAL A 93 -7.465 -24.244 22.421 1.00 10.00 H new ATOM 0 HG23 VAL A 93 -6.272 -24.141 21.104 1.00 10.00 H new ATOM 1344 N GLU A 94 -5.443 -24.703 25.838 1.00 12.50 N ATOM 1345 CA GLU A 94 -6.160 -24.326 27.090 1.00 12.50 C ATOM 1346 C GLU A 94 -5.255 -23.482 27.992 1.00 12.50 C ATOM 1347 O GLU A 94 -5.720 -22.665 28.762 1.00 12.50 O ATOM 1348 CB GLU A 94 -6.501 -25.655 27.765 1.00 12.50 C ATOM 1349 CG GLU A 94 -7.225 -25.386 29.086 1.00 12.50 C ATOM 1350 CD GLU A 94 -8.737 -25.470 28.865 1.00 12.50 C ATOM 1351 OE1 GLU A 94 -9.255 -24.648 28.127 1.00 12.50 O ATOM 1352 OE2 GLU A 94 -9.352 -26.354 29.437 1.00 12.50 O ATOM 0 H GLU A 94 -4.745 -25.440 25.942 1.00 12.50 H new ATOM 0 HA GLU A 94 -7.049 -23.728 26.890 1.00 12.50 H new ATOM 0 HB2 GLU A 94 -7.130 -26.257 27.109 1.00 12.50 H new ATOM 0 HB3 GLU A 94 -5.591 -26.227 27.947 1.00 12.50 H new ATOM 0 HG2 GLU A 94 -6.916 -26.113 29.837 1.00 12.50 H new ATOM 0 HG3 GLU A 94 -6.956 -24.400 29.466 1.00 12.50 H new ATOM 1359 N GLU A 95 -3.966 -23.673 27.909 1.00 12.50 N ATOM 1360 CA GLU A 95 -3.042 -22.880 28.771 1.00 12.50 C ATOM 1361 C GLU A 95 -2.415 -21.729 27.976 1.00 12.50 C ATOM 1362 O GLU A 95 -2.160 -20.667 28.506 1.00 12.50 O ATOM 1363 CB GLU A 95 -1.967 -23.871 29.216 1.00 25.00 C ATOM 1364 CG GLU A 95 -1.107 -23.231 30.308 1.00 25.00 C ATOM 1365 CD GLU A 95 -1.201 -24.064 31.588 1.00 50.00 C ATOM 1366 OE1 GLU A 95 -2.294 -24.177 32.119 1.00 50.00 O ATOM 1367 OE2 GLU A 95 -0.179 -24.575 32.015 1.00 50.00 O ATOM 0 H GLU A 95 -3.514 -24.341 27.284 1.00 12.50 H new ATOM 0 HA GLU A 95 -3.560 -22.429 29.617 1.00 12.50 H new ATOM 0 HB2 GLU A 95 -2.431 -24.783 29.591 1.00 25.00 H new ATOM 0 HB3 GLU A 95 -1.345 -24.155 28.367 1.00 25.00 H new ATOM 0 HG2 GLU A 95 -0.070 -23.168 29.978 1.00 25.00 H new ATOM 0 HG3 GLU A 95 -1.443 -22.212 30.500 1.00 25.00 H new ATOM 1374 N LYS A 96 -2.160 -21.931 26.712 1.00 25.00 N ATOM 1375 CA LYS A 96 -1.545 -20.842 25.898 1.00 25.00 C ATOM 1376 C LYS A 96 -2.545 -20.316 24.859 1.00 25.00 C ATOM 1377 O LYS A 96 -2.334 -19.288 24.248 1.00 25.00 O ATOM 1378 CB LYS A 96 -0.344 -21.493 25.212 1.00 25.00 C ATOM 1379 CG LYS A 96 0.761 -21.738 26.243 1.00 25.00 C ATOM 1380 CD LYS A 96 1.800 -20.619 26.155 1.00 25.00 C ATOM 1381 CE LYS A 96 1.798 -19.818 27.460 1.00 25.00 C ATOM 1382 NZ LYS A 96 2.151 -18.425 27.060 1.00 25.00 N ATOM 0 H LYS A 96 -2.349 -22.798 26.209 1.00 25.00 H new ATOM 0 HA LYS A 96 -1.253 -19.987 26.508 1.00 25.00 H new ATOM 0 HB2 LYS A 96 -0.641 -22.435 24.751 1.00 25.00 H new ATOM 0 HB3 LYS A 96 0.025 -20.850 24.413 1.00 25.00 H new ATOM 0 HG2 LYS A 96 0.335 -21.775 27.246 1.00 25.00 H new ATOM 0 HG3 LYS A 96 1.234 -22.703 26.062 1.00 25.00 H new ATOM 0 HD2 LYS A 96 2.789 -21.040 25.975 1.00 25.00 H new ATOM 0 HD3 LYS A 96 1.575 -19.964 25.313 1.00 25.00 H new ATOM 0 HE2 LYS A 96 0.822 -19.854 27.944 1.00 25.00 H new ATOM 0 HE3 LYS A 96 2.521 -20.220 28.170 1.00 25.00 H new ATOM 0 HZ1 LYS A 96 2.546 -17.918 27.878 1.00 25.00 H new ATOM 0 HZ2 LYS A 96 2.856 -18.451 26.296 1.00 25.00 H new ATOM 0 HZ3 LYS A 96 1.298 -17.933 26.727 1.00 25.00 H new ATOM 1396 N ASP A 97 -3.632 -21.009 24.659 1.00 10.00 N ATOM 1397 CA ASP A 97 -4.649 -20.545 23.663 1.00 10.00 C ATOM 1398 C ASP A 97 -4.009 -20.398 22.281 1.00 10.00 C ATOM 1399 O ASP A 97 -4.354 -19.514 21.524 1.00 10.00 O ATOM 1400 CB ASP A 97 -5.134 -19.169 24.151 1.00 50.00 C ATOM 1401 CG ASP A 97 -4.973 -19.043 25.671 1.00 50.00 C ATOM 1402 OD1 ASP A 97 -5.882 -19.444 26.378 1.00 50.00 O ATOM 1403 OD2 ASP A 97 -3.943 -18.547 26.098 1.00 50.00 O ATOM 0 H ASP A 97 -3.863 -21.878 25.141 1.00 10.00 H new ATOM 0 HA ASP A 97 -5.469 -21.258 23.580 1.00 10.00 H new ATOM 0 HB2 ASP A 97 -4.567 -18.381 23.654 1.00 50.00 H new ATOM 0 HB3 ASP A 97 -6.180 -19.029 23.879 1.00 50.00 H new ATOM 1408 N VAL A 98 -3.075 -21.243 21.946 1.00 10.00 N ATOM 1409 CA VAL A 98 -2.422 -21.118 20.611 1.00 10.00 C ATOM 1410 C VAL A 98 -3.132 -21.991 19.573 1.00 10.00 C ATOM 1411 O VAL A 98 -3.831 -22.929 19.901 1.00 10.00 O ATOM 1412 CB VAL A 98 -0.974 -21.585 20.815 1.00 50.00 C ATOM 1413 CG1 VAL A 98 -0.440 -21.048 22.144 1.00 50.00 C ATOM 1414 CG2 VAL A 98 -0.918 -23.115 20.827 1.00 50.00 C ATOM 0 H VAL A 98 -2.737 -22.008 22.531 1.00 10.00 H new ATOM 0 HA VAL A 98 -2.466 -20.095 20.237 1.00 10.00 H new ATOM 0 HB VAL A 98 -0.361 -21.207 19.997 1.00 50.00 H new ATOM 0 HG11 VAL A 98 0.588 -21.382 22.285 1.00 50.00 H new ATOM 0 HG12 VAL A 98 -0.470 -19.958 22.134 1.00 50.00 H new ATOM 0 HG13 VAL A 98 -1.057 -21.420 22.961 1.00 50.00 H new ATOM 0 HG21 VAL A 98 0.112 -23.440 20.972 1.00 50.00 H new ATOM 0 HG22 VAL A 98 -1.537 -23.495 21.640 1.00 50.00 H new ATOM 0 HG23 VAL A 98 -1.290 -23.500 19.877 1.00 50.00 H new ATOM 1424 N ARG A 99 -2.946 -21.683 18.320 1.00 10.00 N ATOM 1425 CA ARG A 99 -3.593 -22.480 17.241 1.00 10.00 C ATOM 1426 C ARG A 99 -3.059 -22.025 15.881 1.00 10.00 C ATOM 1427 O ARG A 99 -2.390 -21.015 15.778 1.00 10.00 O ATOM 1428 CB ARG A 99 -5.089 -22.182 17.364 1.00 50.00 C ATOM 1429 CG ARG A 99 -5.854 -23.488 17.588 1.00 50.00 C ATOM 1430 CD ARG A 99 -7.352 -23.245 17.388 1.00 50.00 C ATOM 1431 NE ARG A 99 -7.820 -22.667 18.680 1.00 50.00 N ATOM 1432 CZ ARG A 99 -8.724 -23.289 19.386 1.00 50.00 C ATOM 1433 NH1 ARG A 99 -8.595 -24.564 19.636 1.00 50.00 N ATOM 1434 NH2 ARG A 99 -9.757 -22.637 19.846 1.00 50.00 N ATOM 0 H ARG A 99 -2.369 -20.907 17.995 1.00 10.00 H new ATOM 0 HA ARG A 99 -3.391 -23.548 17.328 1.00 10.00 H new ATOM 0 HB2 ARG A 99 -5.267 -21.497 18.193 1.00 50.00 H new ATOM 0 HB3 ARG A 99 -5.448 -21.689 16.461 1.00 50.00 H new ATOM 0 HG2 ARG A 99 -5.503 -24.251 16.893 1.00 50.00 H new ATOM 0 HG3 ARG A 99 -5.667 -23.863 18.594 1.00 50.00 H new ATOM 0 HD2 ARG A 99 -7.535 -22.561 16.559 1.00 50.00 H new ATOM 0 HD3 ARG A 99 -7.876 -24.173 17.157 1.00 50.00 H new ATOM 0 HE ARG A 99 -7.433 -21.784 19.013 1.00 50.00 H new ATOM 0 HH11 ARG A 99 -7.787 -25.074 19.279 1.00 50.00 H new ATOM 0 HH12 ARG A 99 -9.302 -25.050 20.188 1.00 50.00 H new ATOM 0 HH21 ARG A 99 -9.858 -21.640 19.654 1.00 50.00 H new ATOM 0 HH22 ARG A 99 -10.463 -23.124 20.398 1.00 50.00 H new ATOM 1448 N LEU A 100 -3.337 -22.755 14.837 1.00 10.00 N ATOM 1449 CA LEU A 100 -2.831 -22.348 13.494 1.00 10.00 C ATOM 1450 C LEU A 100 -3.897 -21.539 12.750 1.00 10.00 C ATOM 1451 O LEU A 100 -4.957 -22.037 12.426 1.00 10.00 O ATOM 1452 CB LEU A 100 -2.531 -23.660 12.768 1.00 10.00 C ATOM 1453 CG LEU A 100 -1.534 -24.487 13.588 1.00 10.00 C ATOM 1454 CD1 LEU A 100 -0.936 -25.585 12.707 1.00 10.00 C ATOM 1455 CD2 LEU A 100 -0.409 -23.585 14.105 1.00 10.00 C ATOM 0 H LEU A 100 -3.890 -23.612 14.854 1.00 10.00 H new ATOM 0 HA LEU A 100 -1.947 -21.713 13.558 1.00 10.00 H new ATOM 0 HB2 LEU A 100 -3.452 -24.224 12.621 1.00 10.00 H new ATOM 0 HB3 LEU A 100 -2.121 -23.454 11.779 1.00 10.00 H new ATOM 0 HG LEU A 100 -2.054 -24.936 14.434 1.00 10.00 H new ATOM 0 HD11 LEU A 100 -0.227 -26.173 13.290 1.00 10.00 H new ATOM 0 HD12 LEU A 100 -1.733 -26.234 12.343 1.00 10.00 H new ATOM 0 HD13 LEU A 100 -0.421 -25.132 11.860 1.00 10.00 H new ATOM 0 HD21 LEU A 100 0.296 -24.179 14.687 1.00 10.00 H new ATOM 0 HD22 LEU A 100 0.110 -23.130 13.261 1.00 10.00 H new ATOM 0 HD23 LEU A 100 -0.831 -22.802 14.736 1.00 10.00 H new ATOM 1467 N THR A 101 -3.622 -20.291 12.483 1.00 10.00 N ATOM 1468 CA THR A 101 -4.616 -19.442 11.768 1.00 10.00 C ATOM 1469 C THR A 101 -4.611 -19.755 10.270 1.00 10.00 C ATOM 1470 O THR A 101 -5.584 -19.529 9.578 1.00 10.00 O ATOM 1471 CB THR A 101 -4.153 -18.005 12.011 1.00 10.00 C ATOM 1472 OG1 THR A 101 -2.785 -17.881 11.650 1.00 10.00 O ATOM 1473 CG2 THR A 101 -4.325 -17.654 13.490 1.00 10.00 C ATOM 0 H THR A 101 -2.750 -19.823 12.730 1.00 10.00 H new ATOM 0 HA THR A 101 -5.632 -19.615 12.123 1.00 10.00 H new ATOM 0 HB THR A 101 -4.752 -17.324 11.406 1.00 10.00 H new ATOM 0 HG1 THR A 101 -2.718 -17.505 10.748 1.00 10.00 H new ATOM 0 HG21 THR A 101 -3.995 -16.630 13.662 1.00 10.00 H new ATOM 0 HG22 THR A 101 -5.375 -17.748 13.766 1.00 10.00 H new ATOM 0 HG23 THR A 101 -3.728 -18.334 14.097 1.00 10.00 H new ATOM 1481 N CYS A 102 -3.524 -20.266 9.760 1.00 10.00 N ATOM 1482 CA CYS A 102 -3.469 -20.581 8.305 1.00 10.00 C ATOM 1483 C CYS A 102 -4.389 -21.771 7.983 1.00 10.00 C ATOM 1484 O CYS A 102 -4.985 -21.830 6.926 1.00 10.00 O ATOM 1485 CB CYS A 102 -1.999 -20.907 8.018 1.00 10.00 C ATOM 1486 SG CYS A 102 -1.436 -22.207 9.137 1.00 10.00 S ATOM 0 H CYS A 102 -2.676 -20.478 10.285 1.00 10.00 H new ATOM 0 HA CYS A 102 -3.815 -19.754 7.686 1.00 10.00 H new ATOM 0 HB2 CYS A 102 -1.883 -21.229 6.983 1.00 10.00 H new ATOM 0 HB3 CYS A 102 -1.387 -20.014 8.145 1.00 10.00 H new ATOM 1491 N ILE A 103 -4.532 -22.709 8.889 1.00 10.00 N ATOM 1492 CA ILE A 103 -5.442 -23.871 8.620 1.00 10.00 C ATOM 1493 C ILE A 103 -6.525 -23.947 9.701 1.00 10.00 C ATOM 1494 O ILE A 103 -7.041 -25.006 9.998 1.00 10.00 O ATOM 1495 CB ILE A 103 -4.583 -25.146 8.676 1.00 10.00 C ATOM 1496 CG1 ILE A 103 -3.139 -24.850 8.271 1.00 10.00 C ATOM 1497 CG2 ILE A 103 -5.167 -26.190 7.721 1.00 10.00 C ATOM 1498 CD1 ILE A 103 -3.118 -24.049 6.965 1.00 50.00 C ATOM 0 H ILE A 103 -4.064 -22.722 9.795 1.00 10.00 H new ATOM 0 HA ILE A 103 -5.925 -23.762 7.649 1.00 10.00 H new ATOM 0 HB ILE A 103 -4.588 -25.522 9.699 1.00 10.00 H new ATOM 0 HG12 ILE A 103 -2.638 -24.289 9.060 1.00 10.00 H new ATOM 0 HG13 ILE A 103 -2.589 -25.783 8.145 1.00 10.00 H new ATOM 0 HG21 ILE A 103 -4.561 -27.096 7.757 1.00 10.00 H new ATOM 0 HG22 ILE A 103 -6.189 -26.425 8.019 1.00 10.00 H new ATOM 0 HG23 ILE A 103 -5.167 -25.794 6.705 1.00 10.00 H new ATOM 0 HD11 ILE A 103 -2.086 -23.841 6.682 1.00 50.00 H new ATOM 0 HD12 ILE A 103 -3.601 -24.626 6.177 1.00 50.00 H new ATOM 0 HD13 ILE A 103 -3.652 -23.109 7.106 1.00 50.00 H new ATOM 1510 N GLY A 104 -6.868 -22.841 10.303 1.00 10.00 N ATOM 1511 CA GLY A 104 -7.907 -22.875 11.371 1.00 10.00 C ATOM 1512 C GLY A 104 -9.024 -21.879 11.057 1.00 10.00 C ATOM 1513 O GLY A 104 -8.783 -20.782 10.593 1.00 10.00 O ATOM 0 H GLY A 104 -6.476 -21.921 10.103 1.00 10.00 H new ATOM 0 HA2 GLY A 104 -8.320 -23.880 11.454 1.00 10.00 H new ATOM 0 HA3 GLY A 104 -7.456 -22.635 12.334 1.00 10.00 H new ATOM 1517 N SER A 105 -10.247 -22.253 11.319 1.00 10.00 N ATOM 1518 CA SER A 105 -11.390 -21.334 11.052 1.00 10.00 C ATOM 1519 C SER A 105 -12.221 -21.164 12.328 1.00 10.00 C ATOM 1520 O SER A 105 -12.373 -22.093 13.096 1.00 10.00 O ATOM 1521 CB SER A 105 -12.211 -22.025 9.962 1.00 10.00 C ATOM 1522 OG SER A 105 -11.412 -22.190 8.800 1.00 10.00 O ATOM 0 H SER A 105 -10.505 -23.160 11.708 1.00 10.00 H new ATOM 0 HA SER A 105 -11.066 -20.341 10.741 1.00 10.00 H new ATOM 0 HB2 SER A 105 -12.562 -22.995 10.316 1.00 10.00 H new ATOM 0 HB3 SER A 105 -13.095 -21.432 9.727 1.00 10.00 H new ATOM 0 HG SER A 105 -11.937 -22.634 8.102 1.00 10.00 H new ATOM 1528 N PRO A 106 -12.727 -19.977 12.514 1.00 10.00 N ATOM 1529 CA PRO A 106 -13.543 -19.680 13.717 1.00 10.00 C ATOM 1530 C PRO A 106 -14.918 -20.346 13.616 1.00 10.00 C ATOM 1531 O PRO A 106 -15.592 -20.258 12.609 1.00 10.00 O ATOM 1532 CB PRO A 106 -13.672 -18.161 13.697 1.00 10.00 C ATOM 1533 CG PRO A 106 -13.490 -17.776 12.262 1.00 10.00 C ATOM 1534 CD PRO A 106 -12.587 -18.809 11.636 1.00 10.00 C ATOM 0 HA PRO A 106 -13.095 -20.054 14.638 1.00 10.00 H new ATOM 0 HB2 PRO A 106 -14.645 -17.843 14.071 1.00 10.00 H new ATOM 0 HB3 PRO A 106 -12.918 -17.692 14.330 1.00 10.00 H new ATOM 0 HG2 PRO A 106 -14.450 -17.742 11.748 1.00 10.00 H new ATOM 0 HG3 PRO A 106 -13.050 -16.782 12.183 1.00 10.00 H new ATOM 0 HD2 PRO A 106 -12.890 -19.038 10.614 1.00 10.00 H new ATOM 0 HD3 PRO A 106 -11.554 -18.463 11.592 1.00 10.00 H new ATOM 1542 N ALA A 107 -15.340 -21.010 14.658 1.00 10.00 N ATOM 1543 CA ALA A 107 -16.673 -21.678 14.629 1.00 10.00 C ATOM 1544 C ALA A 107 -17.639 -20.961 15.575 1.00 10.00 C ATOM 1545 O ALA A 107 -18.839 -20.989 15.391 1.00 10.00 O ATOM 1546 CB ALA A 107 -16.410 -23.106 15.109 1.00 50.00 C ATOM 0 H ALA A 107 -14.819 -21.119 15.528 1.00 10.00 H new ATOM 0 HA ALA A 107 -17.126 -21.660 13.638 1.00 10.00 H new ATOM 0 HB1 ALA A 107 -17.345 -23.665 15.116 1.00 50.00 H new ATOM 0 HB2 ALA A 107 -15.702 -23.591 14.437 1.00 50.00 H new ATOM 0 HB3 ALA A 107 -15.995 -23.081 16.116 1.00 50.00 H new ATOM 1552 N ALA A 108 -17.124 -20.315 16.585 1.00 10.00 N ATOM 1553 CA ALA A 108 -18.013 -19.593 17.541 1.00 10.00 C ATOM 1554 C ALA A 108 -18.444 -18.251 16.942 1.00 10.00 C ATOM 1555 O ALA A 108 -17.722 -17.644 16.178 1.00 10.00 O ATOM 1556 CB ALA A 108 -17.159 -19.375 18.790 1.00 50.00 C ATOM 0 H ALA A 108 -16.127 -20.255 16.790 1.00 10.00 H new ATOM 0 HA ALA A 108 -18.923 -20.150 17.765 1.00 10.00 H new ATOM 0 HB1 ALA A 108 -17.744 -18.848 19.543 1.00 50.00 H new ATOM 0 HB2 ALA A 108 -16.842 -20.339 19.187 1.00 50.00 H new ATOM 0 HB3 ALA A 108 -16.281 -18.782 18.532 1.00 50.00 H new ATOM 1562 N ASP A 109 -19.616 -17.785 17.280 1.00 50.00 N ATOM 1563 CA ASP A 109 -20.088 -16.484 16.723 1.00 50.00 C ATOM 1564 C ASP A 109 -19.093 -15.368 17.061 1.00 50.00 C ATOM 1565 O ASP A 109 -18.760 -14.548 16.229 1.00 50.00 O ATOM 1566 CB ASP A 109 -21.437 -16.228 17.395 1.00 50.00 C ATOM 1567 CG ASP A 109 -21.230 -15.999 18.893 1.00 50.00 C ATOM 1568 OD1 ASP A 109 -20.979 -14.867 19.271 1.00 50.00 O ATOM 1569 OD2 ASP A 109 -21.329 -16.960 19.638 1.00 50.00 O ATOM 0 H ASP A 109 -20.266 -18.247 17.916 1.00 50.00 H new ATOM 0 HA ASP A 109 -20.175 -16.509 15.637 1.00 50.00 H new ATOM 0 HB2 ASP A 109 -21.918 -15.359 16.947 1.00 50.00 H new ATOM 0 HB3 ASP A 109 -22.101 -17.077 17.235 1.00 50.00 H new ATOM 1574 N GLU A 110 -18.614 -15.332 18.274 1.00 10.00 N ATOM 1575 CA GLU A 110 -17.639 -14.271 18.660 1.00 10.00 C ATOM 1576 C GLU A 110 -16.347 -14.908 19.174 1.00 10.00 C ATOM 1577 O GLU A 110 -16.370 -15.789 20.011 1.00 10.00 O ATOM 1578 CB GLU A 110 -18.328 -13.483 19.774 1.00 10.00 C ATOM 1579 CG GLU A 110 -19.136 -12.338 19.161 1.00 10.00 C ATOM 1580 CD GLU A 110 -20.249 -11.926 20.126 1.00 50.00 C ATOM 1581 OE1 GLU A 110 -20.117 -12.207 21.306 1.00 50.00 O ATOM 1582 OE2 GLU A 110 -21.215 -11.336 19.669 1.00 50.00 O ATOM 0 H GLU A 110 -18.855 -15.991 19.015 1.00 10.00 H new ATOM 0 HA GLU A 110 -17.368 -13.632 17.819 1.00 10.00 H new ATOM 0 HB2 GLU A 110 -18.983 -14.139 20.347 1.00 10.00 H new ATOM 0 HB3 GLU A 110 -17.586 -13.088 20.468 1.00 10.00 H new ATOM 0 HG2 GLU A 110 -18.485 -11.488 18.956 1.00 10.00 H new ATOM 0 HG3 GLU A 110 -19.563 -12.650 18.208 1.00 10.00 H new ATOM 1589 N VAL A 111 -15.220 -14.476 18.678 1.00 10.00 N ATOM 1590 CA VAL A 111 -13.934 -15.069 19.140 1.00 10.00 C ATOM 1591 C VAL A 111 -12.847 -13.995 19.248 1.00 10.00 C ATOM 1592 O VAL A 111 -12.842 -13.023 18.519 1.00 10.00 O ATOM 1593 CB VAL A 111 -13.563 -16.089 18.064 1.00 12.50 C ATOM 1594 CG1 VAL A 111 -12.398 -16.950 18.556 1.00 12.50 C ATOM 1595 CG2 VAL A 111 -14.772 -16.981 17.771 1.00 12.50 C ATOM 0 H VAL A 111 -15.134 -13.741 17.976 1.00 10.00 H new ATOM 0 HA VAL A 111 -14.027 -15.521 20.128 1.00 10.00 H new ATOM 0 HB VAL A 111 -13.267 -15.567 17.154 1.00 12.50 H new ATOM 0 HG11 VAL A 111 -12.134 -17.677 17.788 1.00 12.50 H new ATOM 0 HG12 VAL A 111 -11.538 -16.314 18.765 1.00 12.50 H new ATOM 0 HG13 VAL A 111 -12.691 -17.473 19.466 1.00 12.50 H new ATOM 0 HG21 VAL A 111 -14.509 -17.709 17.004 1.00 12.50 H new ATOM 0 HG22 VAL A 111 -15.068 -17.503 18.681 1.00 12.50 H new ATOM 0 HG23 VAL A 111 -15.601 -16.367 17.420 1.00 12.50 H new ATOM 1605 N LYS A 112 -11.922 -14.175 20.149 1.00 10.00 N ATOM 1606 CA LYS A 112 -10.822 -13.182 20.309 1.00 10.00 C ATOM 1607 C LYS A 112 -9.472 -13.902 20.240 1.00 10.00 C ATOM 1608 O LYS A 112 -9.340 -15.027 20.677 1.00 10.00 O ATOM 1609 CB LYS A 112 -11.037 -12.566 21.691 1.00 25.00 C ATOM 1610 CG LYS A 112 -12.297 -11.699 21.673 1.00 25.00 C ATOM 1611 CD LYS A 112 -13.442 -12.447 22.361 1.00 25.00 C ATOM 1612 CE LYS A 112 -14.758 -12.138 21.642 1.00 25.00 C ATOM 1613 NZ LYS A 112 -15.672 -11.650 22.712 1.00 25.00 N ATOM 0 H LYS A 112 -11.880 -14.971 20.785 1.00 10.00 H new ATOM 0 HA LYS A 112 -10.825 -12.421 19.529 1.00 10.00 H new ATOM 0 HB2 LYS A 112 -11.134 -13.352 22.440 1.00 25.00 H new ATOM 0 HB3 LYS A 112 -10.173 -11.964 21.971 1.00 25.00 H new ATOM 0 HG2 LYS A 112 -12.108 -10.754 22.182 1.00 25.00 H new ATOM 0 HG3 LYS A 112 -12.571 -11.458 20.646 1.00 25.00 H new ATOM 0 HD2 LYS A 112 -13.250 -13.520 22.346 1.00 25.00 H new ATOM 0 HD3 LYS A 112 -13.508 -12.149 23.407 1.00 25.00 H new ATOM 0 HE2 LYS A 112 -14.618 -11.384 20.868 1.00 25.00 H new ATOM 0 HE3 LYS A 112 -15.160 -13.026 21.154 1.00 25.00 H new ATOM 0 HZ1 LYS A 112 -16.597 -11.417 22.298 1.00 25.00 H new ATOM 0 HZ2 LYS A 112 -15.791 -12.391 23.431 1.00 25.00 H new ATOM 0 HZ3 LYS A 112 -15.266 -10.801 23.154 1.00 25.00 H new ATOM 1627 N ILE A 113 -8.472 -13.272 19.687 1.00 10.00 N ATOM 1628 CA ILE A 113 -7.143 -13.941 19.590 1.00 10.00 C ATOM 1629 C ILE A 113 -6.030 -12.913 19.385 1.00 10.00 C ATOM 1630 O ILE A 113 -6.274 -11.770 19.051 1.00 10.00 O ATOM 1631 CB ILE A 113 -7.257 -14.858 18.372 1.00 10.00 C ATOM 1632 CG1 ILE A 113 -6.002 -15.726 18.263 1.00 10.00 C ATOM 1633 CG2 ILE A 113 -7.404 -14.012 17.105 1.00 10.00 C ATOM 1634 CD1 ILE A 113 -6.381 -17.097 17.702 1.00 10.00 C ATOM 0 H ILE A 113 -8.516 -12.329 19.300 1.00 10.00 H new ATOM 0 HA ILE A 113 -6.893 -14.488 20.499 1.00 10.00 H new ATOM 0 HB ILE A 113 -8.132 -15.499 18.484 1.00 10.00 H new ATOM 0 HG12 ILE A 113 -5.269 -15.245 17.615 1.00 10.00 H new ATOM 0 HG13 ILE A 113 -5.537 -15.837 19.243 1.00 10.00 H new ATOM 0 HG21 ILE A 113 -7.485 -14.667 16.238 1.00 10.00 H new ATOM 0 HG22 ILE A 113 -8.301 -13.397 17.180 1.00 10.00 H new ATOM 0 HG23 ILE A 113 -6.531 -13.369 16.994 1.00 10.00 H new ATOM 0 HD11 ILE A 113 -5.488 -17.717 17.623 1.00 10.00 H new ATOM 0 HD12 ILE A 113 -7.099 -17.577 18.367 1.00 10.00 H new ATOM 0 HD13 ILE A 113 -6.827 -16.976 16.715 1.00 10.00 H new ATOM 1646 N VAL A 114 -4.805 -13.318 19.582 1.00 10.00 N ATOM 1647 CA VAL A 114 -3.662 -12.379 19.397 1.00 10.00 C ATOM 1648 C VAL A 114 -2.706 -12.928 18.337 1.00 10.00 C ATOM 1649 O VAL A 114 -2.230 -14.042 18.435 1.00 10.00 O ATOM 1650 CB VAL A 114 -2.967 -12.318 20.759 1.00 50.00 C ATOM 1651 CG1 VAL A 114 -1.872 -11.248 20.722 1.00 50.00 C ATOM 1652 CG2 VAL A 114 -3.988 -11.964 21.842 1.00 50.00 C ATOM 0 H VAL A 114 -4.546 -14.263 19.864 1.00 10.00 H new ATOM 0 HA VAL A 114 -3.987 -11.393 19.064 1.00 10.00 H new ATOM 0 HB VAL A 114 -2.524 -13.288 20.984 1.00 50.00 H new ATOM 0 HG11 VAL A 114 -1.375 -11.202 21.691 1.00 50.00 H new ATOM 0 HG12 VAL A 114 -1.143 -11.500 19.952 1.00 50.00 H new ATOM 0 HG13 VAL A 114 -2.318 -10.279 20.497 1.00 50.00 H new ATOM 0 HG21 VAL A 114 -3.491 -11.921 22.811 1.00 50.00 H new ATOM 0 HG22 VAL A 114 -4.433 -10.994 21.619 1.00 50.00 H new ATOM 0 HG23 VAL A 114 -4.769 -12.724 21.868 1.00 50.00 H new ATOM 1662 N TYR A 115 -2.420 -12.158 17.325 1.00 10.00 N ATOM 1663 CA TYR A 115 -1.494 -12.644 16.263 1.00 10.00 C ATOM 1664 C TYR A 115 -0.034 -12.398 16.681 1.00 10.00 C ATOM 1665 O TYR A 115 0.236 -11.747 17.671 1.00 10.00 O ATOM 1666 CB TYR A 115 -1.871 -11.834 15.008 1.00 50.00 C ATOM 1667 CG TYR A 115 -1.024 -10.584 14.915 1.00 50.00 C ATOM 1668 CD1 TYR A 115 0.227 -10.639 14.291 1.00 50.00 C ATOM 1669 CD2 TYR A 115 -1.478 -9.383 15.471 1.00 50.00 C ATOM 1670 CE1 TYR A 115 1.024 -9.490 14.218 1.00 50.00 C ATOM 1671 CE2 TYR A 115 -0.679 -8.235 15.403 1.00 50.00 C ATOM 1672 CZ TYR A 115 0.572 -8.289 14.776 1.00 50.00 C ATOM 1673 OH TYR A 115 1.360 -7.158 14.708 1.00 50.00 O ATOM 0 H TYR A 115 -2.786 -11.216 17.187 1.00 10.00 H new ATOM 0 HA TYR A 115 -1.582 -13.716 16.083 1.00 10.00 H new ATOM 0 HB2 TYR A 115 -1.729 -12.445 14.117 1.00 50.00 H new ATOM 0 HB3 TYR A 115 -2.926 -11.564 15.045 1.00 50.00 H new ATOM 0 HD1 TYR A 115 0.578 -11.568 13.866 1.00 50.00 H new ATOM 0 HD2 TYR A 115 -2.444 -9.341 15.952 1.00 50.00 H new ATOM 0 HE1 TYR A 115 1.987 -9.531 13.731 1.00 50.00 H new ATOM 0 HE2 TYR A 115 -1.028 -7.308 15.834 1.00 50.00 H new ATOM 0 HH TYR A 115 0.898 -6.411 15.143 1.00 50.00 H new ATOM 1683 N ASN A 116 0.906 -12.906 15.929 1.00 10.00 N ATOM 1684 CA ASN A 116 2.344 -12.695 16.276 1.00 10.00 C ATOM 1685 C ASN A 116 2.717 -13.459 17.550 1.00 10.00 C ATOM 1686 O ASN A 116 3.440 -12.961 18.389 1.00 10.00 O ATOM 1687 CB ASN A 116 2.487 -11.189 16.503 1.00 10.00 C ATOM 1688 CG ASN A 116 3.645 -10.650 15.661 1.00 10.00 C ATOM 1689 OD1 ASN A 116 4.732 -11.362 15.532 1.00 10.00 O flip ATOM 1690 ND2 ASN A 116 3.563 -9.568 15.116 1.00 10.00 N flip ATOM 0 H ASN A 116 0.741 -13.459 15.088 1.00 10.00 H new ATOM 0 HA ASN A 116 3.003 -13.058 15.488 1.00 10.00 H new ATOM 0 HB2 ASN A 116 1.561 -10.681 16.233 1.00 10.00 H new ATOM 0 HB3 ASN A 116 2.666 -10.986 17.559 1.00 10.00 H new ATOM 0 HD21 ASN A 116 2.715 -9.010 15.215 1.00 10.00 H new ATOM 0 HD22 ASN A 116 4.342 -9.217 14.559 1.00 10.00 H new ATOM 1697 N ALA A 117 2.240 -14.664 17.702 1.00 10.00 N ATOM 1698 CA ALA A 117 2.587 -15.446 18.924 1.00 10.00 C ATOM 1699 C ALA A 117 4.075 -15.806 18.906 1.00 10.00 C ATOM 1700 O ALA A 117 4.647 -16.179 19.911 1.00 10.00 O ATOM 1701 CB ALA A 117 1.725 -16.707 18.852 1.00 50.00 C ATOM 0 H ALA A 117 1.629 -15.139 17.038 1.00 10.00 H new ATOM 0 HA ALA A 117 2.404 -14.887 19.841 1.00 10.00 H new ATOM 0 HB1 ALA A 117 1.925 -17.335 19.720 1.00 50.00 H new ATOM 0 HB2 ALA A 117 0.672 -16.427 18.841 1.00 50.00 H new ATOM 0 HB3 ALA A 117 1.963 -17.259 17.943 1.00 50.00 H new HETATM 1707 OH ALY A 118 10.541 -12.223 16.988 1.00 0.00 O HETATM 1708 CH ALY A 118 10.181 -11.784 15.913 1.00 0.00 C HETATM 1709 CH3 ALY A 118 10.980 -10.697 15.192 1.00 0.00 C HETATM 1710 NZ ALY A 118 9.099 -12.223 15.332 1.00 50.00 N HETATM 1711 CE ALY A 118 8.128 -12.997 16.155 1.00 50.00 C HETATM 1712 CD ALY A 118 7.054 -13.456 15.165 1.00 12.50 C HETATM 1713 CG ALY A 118 5.991 -14.270 15.906 1.00 12.50 C HETATM 1714 CB ALY A 118 6.554 -15.651 16.251 1.00 12.50 C HETATM 1715 CA ALY A 118 6.155 -16.020 17.680 1.00 12.50 C HETATM 1716 N ALY A 118 4.704 -15.690 17.769 1.00 12.50 N HETATM 1717 C ALY A 118 6.947 -15.186 18.691 1.00 12.50 C HETATM 1718 O ALY A 118 8.040 -15.543 19.083 1.00 12.50 O HETATM 0 HH33 ALY A 118 11.034 -9.808 15.820 1.00 0.00 H new HETATM 0 HH32 ALY A 118 11.988 -11.060 14.990 1.00 0.00 H new HETATM 0 HH31 ALY A 118 10.489 -10.447 14.252 1.00 0.00 H new HETATM 0 HZ ALY A 118 8.923 -12.042 14.344 1.00 50.00 H new HETATM 0 HG3 ALY A 118 5.100 -14.373 15.287 1.00 12.50 H new HETATM 0 HG2 ALY A 118 5.689 -13.751 16.816 1.00 12.50 H new HETATM 0 HE3 ALY A 118 7.700 -12.381 16.945 1.00 50.00 H new HETATM 0 HE2 ALY A 118 8.609 -13.847 16.639 1.00 50.00 H new HETATM 0 HD3 ALY A 118 7.505 -14.059 14.377 1.00 12.50 H new HETATM 0 HD2 ALY A 118 6.596 -12.592 14.683 1.00 12.50 H new HETATM 0 HCA ALY A 118 6.358 -17.067 17.903 1.00 12.50 H new HETATM 0 HB3 ALY A 118 7.640 -15.648 16.154 1.00 12.50 H new HETATM 0 HB2 ALY A 118 6.174 -16.396 15.552 1.00 12.50 H new HETATM 0 H ALY A 118 4.218 -15.305 16.959 1.00 12.50 H new ATOM 1732 N HIS A 119 6.404 -14.077 19.115 1.00 50.00 N ATOM 1733 CA HIS A 119 7.125 -13.221 20.101 1.00 50.00 C ATOM 1734 C HIS A 119 7.280 -13.964 21.431 1.00 50.00 C ATOM 1735 O HIS A 119 8.233 -13.763 22.157 1.00 50.00 O ATOM 1736 CB HIS A 119 6.242 -11.986 20.275 1.00 50.00 C ATOM 1737 CG HIS A 119 6.420 -11.072 19.095 1.00 50.00 C ATOM 1738 ND1 HIS A 119 7.667 -10.603 18.705 1.00 50.00 N ATOM 1739 CD2 HIS A 119 5.523 -10.530 18.207 1.00 50.00 C ATOM 1740 CE1 HIS A 119 7.485 -9.818 17.628 1.00 50.00 C ATOM 1741 NE2 HIS A 119 6.197 -9.739 17.281 1.00 50.00 N ATOM 0 H HIS A 119 5.492 -13.726 18.821 1.00 50.00 H new ATOM 0 HA HIS A 119 8.128 -12.959 19.765 1.00 50.00 H new ATOM 0 HB2 HIS A 119 5.197 -12.283 20.364 1.00 50.00 H new ATOM 0 HB3 HIS A 119 6.505 -11.465 21.195 1.00 50.00 H new ATOM 0 HD2 HIS A 119 4.456 -10.693 18.225 1.00 50.00 H new ATOM 0 HE1 HIS A 119 8.284 -9.312 17.106 1.00 50.00 H new ATOM 0 HE2 HIS A 119 5.795 -9.213 16.505 1.00 50.00 H new ATOM 1749 N LEU A 120 6.351 -14.820 21.756 1.00 12.50 N ATOM 1750 CA LEU A 120 6.447 -15.573 23.040 1.00 12.50 C ATOM 1751 C LEU A 120 7.798 -16.289 23.134 1.00 12.50 C ATOM 1752 O LEU A 120 7.970 -17.379 22.626 1.00 12.50 O ATOM 1753 CB LEU A 120 5.304 -16.588 22.988 1.00 12.50 C ATOM 1754 CG LEU A 120 4.280 -16.258 24.076 1.00 12.50 C ATOM 1755 CD1 LEU A 120 2.942 -16.918 23.733 1.00 12.50 C ATOM 1756 CD2 LEU A 120 4.779 -16.786 25.423 1.00 12.50 C ATOM 0 H LEU A 120 5.530 -15.031 21.189 1.00 12.50 H new ATOM 0 HA LEU A 120 6.374 -14.920 23.909 1.00 12.50 H new ATOM 0 HB2 LEU A 120 4.829 -16.567 22.007 1.00 12.50 H new ATOM 0 HB3 LEU A 120 5.692 -17.596 23.132 1.00 12.50 H new ATOM 0 HG LEU A 120 4.148 -15.178 24.136 1.00 12.50 H new ATOM 0 HD11 LEU A 120 2.212 -16.684 24.507 1.00 12.50 H new ATOM 0 HD12 LEU A 120 2.587 -16.543 22.773 1.00 12.50 H new ATOM 0 HD13 LEU A 120 3.074 -17.998 23.674 1.00 12.50 H new ATOM 0 HD21 LEU A 120 4.050 -16.551 26.199 1.00 12.50 H new ATOM 0 HD22 LEU A 120 4.911 -17.866 25.364 1.00 12.50 H new ATOM 0 HD23 LEU A 120 5.732 -16.317 25.667 1.00 12.50 H new ATOM 1768 N ASP A 121 8.759 -15.685 23.780 1.00 50.00 N ATOM 1769 CA ASP A 121 10.096 -16.335 23.903 1.00 50.00 C ATOM 1770 C ASP A 121 9.974 -17.646 24.684 1.00 50.00 C ATOM 1771 O ASP A 121 10.776 -18.546 24.534 1.00 50.00 O ATOM 1772 CB ASP A 121 10.958 -15.332 24.671 1.00 50.00 C ATOM 1773 CG ASP A 121 10.345 -15.083 26.051 1.00 50.00 C ATOM 1774 OD1 ASP A 121 9.182 -14.720 26.103 1.00 50.00 O ATOM 1775 OD2 ASP A 121 11.049 -15.259 27.030 1.00 50.00 O ATOM 0 H ASP A 121 8.677 -14.772 24.227 1.00 50.00 H new ATOM 0 HA ASP A 121 10.526 -16.581 22.932 1.00 50.00 H new ATOM 0 HB2 ASP A 121 11.973 -15.714 24.776 1.00 50.00 H new ATOM 0 HB3 ASP A 121 11.026 -14.396 24.117 1.00 50.00 H new ATOM 1780 N TYR A 122 8.976 -17.760 25.519 1.00 16.66 N ATOM 1781 CA TYR A 122 8.803 -19.012 26.310 1.00 16.66 C ATOM 1782 C TYR A 122 8.449 -20.180 25.385 1.00 16.66 C ATOM 1783 O TYR A 122 8.639 -21.331 25.722 1.00 16.66 O ATOM 1784 CB TYR A 122 7.646 -18.717 27.266 1.00 16.66 C ATOM 1785 CG TYR A 122 8.031 -19.121 28.668 1.00 16.66 C ATOM 1786 CD1 TYR A 122 8.861 -18.293 29.431 1.00 16.66 C ATOM 1787 CD2 TYR A 122 7.557 -20.324 29.205 1.00 16.66 C ATOM 1788 CE1 TYR A 122 9.218 -18.666 30.732 1.00 16.66 C ATOM 1789 CE2 TYR A 122 7.912 -20.698 30.506 1.00 16.66 C ATOM 1790 CZ TYR A 122 8.744 -19.869 31.270 1.00 16.66 C ATOM 1791 OH TYR A 122 9.095 -20.236 32.553 1.00 16.66 O ATOM 0 H TYR A 122 8.273 -17.040 25.687 1.00 16.66 H new ATOM 0 HA TYR A 122 9.712 -19.293 26.841 1.00 16.66 H new ATOM 0 HB2 TYR A 122 7.399 -17.656 27.238 1.00 16.66 H new ATOM 0 HB3 TYR A 122 6.754 -19.260 26.952 1.00 16.66 H new ATOM 0 HD1 TYR A 122 9.227 -17.365 29.016 1.00 16.66 H new ATOM 0 HD2 TYR A 122 6.917 -20.964 28.615 1.00 16.66 H new ATOM 0 HE1 TYR A 122 9.859 -18.026 31.321 1.00 16.66 H new ATOM 0 HE2 TYR A 122 7.545 -21.625 30.921 1.00 16.66 H new ATOM 0 HH TYR A 122 8.681 -21.097 32.772 1.00 16.66 H new ATOM 1801 N LEU A 123 7.933 -19.892 24.220 1.00 50.00 N ATOM 1802 CA LEU A 123 7.565 -20.987 23.276 1.00 50.00 C ATOM 1803 C LEU A 123 8.656 -21.162 22.216 1.00 50.00 C ATOM 1804 O LEU A 123 8.822 -22.226 21.652 1.00 50.00 O ATOM 1805 CB LEU A 123 6.259 -20.527 22.627 1.00 50.00 C ATOM 1806 CG LEU A 123 5.078 -21.200 23.328 1.00 50.00 C ATOM 1807 CD1 LEU A 123 3.942 -20.190 23.496 1.00 50.00 C ATOM 1808 CD2 LEU A 123 4.590 -22.380 22.484 1.00 50.00 C ATOM 0 H LEU A 123 7.751 -18.947 23.882 1.00 50.00 H new ATOM 0 HA LEU A 123 7.455 -21.947 23.781 1.00 50.00 H new ATOM 0 HB2 LEU A 123 6.168 -19.443 22.697 1.00 50.00 H new ATOM 0 HB3 LEU A 123 6.258 -20.779 21.567 1.00 50.00 H new ATOM 0 HG LEU A 123 5.393 -21.559 24.308 1.00 50.00 H new ATOM 0 HD11 LEU A 123 3.100 -20.669 23.996 1.00 50.00 H new ATOM 0 HD12 LEU A 123 4.289 -19.349 24.096 1.00 50.00 H new ATOM 0 HD13 LEU A 123 3.626 -19.831 22.516 1.00 50.00 H new ATOM 0 HD21 LEU A 123 3.748 -22.861 22.983 1.00 50.00 H new ATOM 0 HD22 LEU A 123 4.275 -22.021 21.504 1.00 50.00 H new ATOM 0 HD23 LEU A 123 5.399 -23.100 22.363 1.00 50.00 H new ATOM 1820 N GLN A 124 9.400 -20.126 21.943 1.00 50.00 N ATOM 1821 CA GLN A 124 10.479 -20.230 20.920 1.00 50.00 C ATOM 1822 C GLN A 124 11.472 -21.330 21.306 1.00 50.00 C ATOM 1823 O GLN A 124 12.228 -21.812 20.487 1.00 50.00 O ATOM 1824 CB GLN A 124 11.163 -18.862 20.930 1.00 50.00 C ATOM 1825 CG GLN A 124 11.691 -18.543 19.530 1.00 50.00 C ATOM 1826 CD GLN A 124 12.356 -17.164 19.535 1.00 50.00 C ATOM 1827 OE1 GLN A 124 11.798 -16.187 20.196 1.00 50.00 O flip ATOM 1828 NE2 GLN A 124 13.393 -16.976 18.931 1.00 50.00 N flip ATOM 0 H GLN A 124 9.308 -19.211 22.384 1.00 50.00 H new ATOM 0 HA GLN A 124 10.091 -20.487 19.934 1.00 50.00 H new ATOM 0 HB2 GLN A 124 10.458 -18.094 21.248 1.00 50.00 H new ATOM 0 HB3 GLN A 124 11.983 -18.859 21.648 1.00 50.00 H new ATOM 0 HG2 GLN A 124 12.408 -19.303 19.219 1.00 50.00 H new ATOM 0 HG3 GLN A 124 10.874 -18.561 18.809 1.00 50.00 H new ATOM 0 HE21 GLN A 124 13.828 -17.740 18.415 1.00 50.00 H new ATOM 0 HE22 GLN A 124 13.829 -16.054 18.940 1.00 50.00 H new ATOM 1837 N ASN A 125 11.475 -21.731 22.548 1.00 50.00 N ATOM 1838 CA ASN A 125 12.420 -22.800 22.983 1.00 50.00 C ATOM 1839 C ASN A 125 12.011 -24.148 22.384 1.00 50.00 C ATOM 1840 O ASN A 125 12.739 -25.118 22.460 1.00 50.00 O ATOM 1841 CB ASN A 125 12.303 -22.833 24.507 1.00 50.00 C ATOM 1842 CG ASN A 125 13.300 -21.844 25.116 1.00 50.00 C ATOM 1843 OD1 ASN A 125 14.226 -22.238 25.797 1.00 50.00 O ATOM 1844 ND2 ASN A 125 13.149 -20.567 24.899 1.00 50.00 N ATOM 0 H ASN A 125 10.865 -21.366 23.280 1.00 50.00 H new ATOM 0 HA ASN A 125 13.441 -22.606 22.655 1.00 50.00 H new ATOM 0 HB2 ASN A 125 11.288 -22.576 24.810 1.00 50.00 H new ATOM 0 HB3 ASN A 125 12.501 -23.839 24.876 1.00 50.00 H new ATOM 0 HD21 ASN A 125 13.808 -19.900 25.301 1.00 50.00 H new ATOM 0 HD22 ASN A 125 12.372 -20.235 24.327 1.00 50.00 H new ATOM 1851 N ARG A 126 10.851 -24.218 21.791 1.00 50.00 N ATOM 1852 CA ARG A 126 10.398 -25.505 21.191 1.00 50.00 C ATOM 1853 C ARG A 126 10.749 -25.551 19.702 1.00 50.00 C ATOM 1854 O ARG A 126 10.521 -26.537 19.030 1.00 50.00 O ATOM 1855 CB ARG A 126 8.881 -25.521 21.386 1.00 50.00 C ATOM 1856 CG ARG A 126 8.557 -25.878 22.838 1.00 50.00 C ATOM 1857 CD ARG A 126 8.505 -24.598 23.675 1.00 50.00 C ATOM 1858 NE ARG A 126 8.478 -25.069 25.088 1.00 50.00 N ATOM 1859 CZ ARG A 126 8.268 -24.218 26.054 1.00 50.00 C ATOM 1860 NH1 ARG A 126 7.062 -24.037 26.516 1.00 50.00 N ATOM 1861 NH2 ARG A 126 9.267 -23.547 26.560 1.00 50.00 N ATOM 0 H ARG A 126 10.198 -23.441 21.696 1.00 50.00 H new ATOM 0 HA ARG A 126 10.878 -26.367 21.655 1.00 50.00 H new ATOM 0 HB2 ARG A 126 8.461 -24.546 21.138 1.00 50.00 H new ATOM 0 HB3 ARG A 126 8.425 -26.246 20.712 1.00 50.00 H new ATOM 0 HG2 ARG A 126 7.602 -26.400 22.892 1.00 50.00 H new ATOM 0 HG3 ARG A 126 9.313 -26.555 23.235 1.00 50.00 H new ATOM 0 HD2 ARG A 126 9.372 -23.966 23.485 1.00 50.00 H new ATOM 0 HD3 ARG A 126 7.621 -24.006 23.438 1.00 50.00 H new ATOM 0 HE ARG A 126 8.624 -26.056 25.300 1.00 50.00 H new ATOM 0 HH11 ARG A 126 6.281 -24.561 26.122 1.00 50.00 H new ATOM 0 HH12 ARG A 126 6.900 -23.371 27.271 1.00 50.00 H new ATOM 0 HH21 ARG A 126 10.211 -23.688 26.200 1.00 50.00 H new ATOM 0 HH22 ARG A 126 9.104 -22.881 27.315 1.00 50.00 H new ATOM 1875 N VAL A 127 11.302 -24.490 19.179 1.00 50.00 N ATOM 1876 CA VAL A 127 11.665 -24.477 17.732 1.00 50.00 C ATOM 1877 C VAL A 127 12.670 -25.592 17.427 1.00 50.00 C ATOM 1878 O VAL A 127 13.663 -25.750 18.109 1.00 50.00 O ATOM 1879 CB VAL A 127 12.298 -23.106 17.493 1.00 50.00 C ATOM 1880 CG1 VAL A 127 11.276 -22.011 17.806 1.00 50.00 C ATOM 1881 CG2 VAL A 127 13.519 -22.942 18.400 1.00 50.00 C ATOM 0 H VAL A 127 11.518 -23.634 19.689 1.00 50.00 H new ATOM 0 HA VAL A 127 10.801 -24.644 17.090 1.00 50.00 H new ATOM 0 HB VAL A 127 12.608 -23.025 16.451 1.00 50.00 H new ATOM 0 HG11 VAL A 127 11.727 -21.033 17.636 1.00 50.00 H new ATOM 0 HG12 VAL A 127 10.407 -22.128 17.158 1.00 50.00 H new ATOM 0 HG13 VAL A 127 10.965 -22.091 18.848 1.00 50.00 H new ATOM 0 HG21 VAL A 127 13.970 -21.965 18.230 1.00 50.00 H new ATOM 0 HG22 VAL A 127 13.211 -23.023 19.443 1.00 50.00 H new ATOM 0 HG23 VAL A 127 14.247 -23.722 18.175 1.00 50.00 H new ATOM 1891 N ILE A 128 12.419 -26.367 16.407 1.00 50.00 N ATOM 1892 CA ILE A 128 13.361 -27.470 16.061 1.00 50.00 C ATOM 1893 C ILE A 128 14.014 -27.204 14.702 1.00 50.00 C ATOM 1894 O ILE A 128 14.496 -26.101 14.504 1.00 50.00 O ATOM 1895 CB ILE A 128 12.494 -28.729 16.005 1.00 50.00 C ATOM 1896 CG1 ILE A 128 11.355 -28.520 15.005 1.00 50.00 C ATOM 1897 CG2 ILE A 128 11.912 -29.007 17.391 1.00 50.00 C ATOM 1898 CD1 ILE A 128 10.983 -29.860 14.366 1.00 50.00 C ATOM 1899 OXT ILE A 128 14.021 -28.108 13.883 1.00 50.00 O ATOM 0 H ILE A 128 11.604 -26.285 15.799 1.00 50.00 H new ATOM 0 HA ILE A 128 14.169 -27.565 16.786 1.00 50.00 H new ATOM 0 HB ILE A 128 13.102 -29.577 15.689 1.00 50.00 H new ATOM 0 HG12 ILE A 128 10.488 -28.093 15.509 1.00 50.00 H new ATOM 0 HG13 ILE A 128 11.658 -27.810 14.236 1.00 50.00 H new ATOM 0 HG21 ILE A 128 11.294 -29.904 17.353 1.00 50.00 H new ATOM 0 HG22 ILE A 128 12.724 -29.156 18.103 1.00 50.00 H new ATOM 0 HG23 ILE A 128 11.303 -28.160 17.707 1.00 50.00 H new ATOM 0 HD11 ILE A 128 10.172 -29.711 13.654 1.00 50.00 H new ATOM 0 HD12 ILE A 128 11.850 -30.269 13.848 1.00 50.00 H new ATOM 0 HD13 ILE A 128 10.662 -30.556 15.141 1.00 50.00 H new TER 1911 ILE A 128 HETATM 1912 FE1 FES A 130 2.738 -22.697 9.571 1.00 0.00 FE HETATM 1913 FE2 FES A 130 0.394 -21.596 10.190 1.00 0.00 FE HETATM 1914 S1 FES A 130 1.908 -20.776 8.740 1.00 0.00 S HETATM 1915 S2 FES A 130 1.310 -23.406 11.159 1.00 0.00 S