USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 642 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 GLN : amide:sc= -0.296 X(o=-1.3,f=-1.4) USER MOD Set 1.2: A 95 ASN : amide:sc= -1! C(o=-1.3!,f=-8.5!) USER MOD Set 2.1: A 2 SER OG : rot 20:sc= -2.31! USER MOD Set 2.2: A 91 ASN : amide:sc= -1.32 X(o=-3.6,f=-3.6) USER MOD Set 3.1: A 43 ASN : amide:sc= -4.67! C(o=-5.4!,f=-8.5!) USER MOD Set 3.2: A 59 SER OG : rot 83:sc= 1.3 USER MOD Set 3.3: A 73 CYS SG : rot 180:sc= -2.01! USER MOD Set 4.1: A 54 ASN : amide:sc= 1.02 K(o=2.3,f=0.13) USER MOD Set 4.2: A 57 HIS : no HE2:sc= 1.24 K(o=2.3,f=-7.3!) USER MOD Set 5.1: A 14 ASN : amide:sc= 1.29 K(o=3.5,f=1.1) USER MOD Set 5.2: A 18 THR OG1 : rot -85:sc= 2.21 USER MOD Set 6.1: A 7 SER OG : rot 21:sc= 1.28 USER MOD Set 6.2: A 23 CYS SG : rot 70:sc= -2.05! USER MOD Single : A 3 TYR OH : rot 43:sc= -0.0315 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 1.31 K(o=1.3,f=-0.73) USER MOD Single : A 13 THR OG1 : rot -129:sc= -1.7! USER MOD Single : A 25 ASN : amide:sc= -1.82! C(o=-1.8!,f=-9.7!) USER MOD Single : A 29 ASN : amide:sc= 0.0589 K(o=0.059,f=-5.3!) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 155:sc= 1.25 USER MOD Single : A 39 THR OG1 : rot -85:sc= 0.878 USER MOD Single : A 40 CYS SG : rot -33:sc= -1.88 USER MOD Single : A 45 ASN : amide:sc= -0.0622 K(o=-0.062,f=-2!) USER MOD Single : A 52 MET CE :methyl -137:sc= -4.4! (180deg=-5.54!) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 151:sc= 1.13 (180deg=0.415) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -1.44 K(o=-1.4,f=-5.6!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.74) USER MOD ----------------------------------------------------------------- ATOM 16 N SER A 2 2.383 12.716 -0.223 1.00 0.00 N ATOM 17 CA SER A 2 2.677 11.349 0.159 1.00 0.00 C ATOM 18 C SER A 2 4.167 11.074 0.019 1.00 0.00 C ATOM 19 O SER A 2 4.898 11.903 -0.526 1.00 0.00 O ATOM 20 CB SER A 2 1.877 10.385 -0.707 1.00 0.00 C ATOM 21 OG SER A 2 0.549 10.843 -0.850 1.00 0.00 O ATOM 0 HA SER A 2 2.394 11.203 1.201 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.345 10.292 -1.687 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.880 9.392 -0.257 1.00 0.00 H new ATOM 0 HG SER A 2 0.509 11.800 -0.641 1.00 0.00 H new ATOM 26 N TYR A 3 4.616 9.922 0.494 1.00 0.00 N ATOM 27 CA TYR A 3 6.025 9.558 0.412 1.00 0.00 C ATOM 28 C TYR A 3 6.495 9.521 -1.041 1.00 0.00 C ATOM 29 O TYR A 3 7.585 9.987 -1.361 1.00 0.00 O ATOM 30 CB TYR A 3 6.266 8.195 1.076 1.00 0.00 C ATOM 31 CG TYR A 3 5.744 7.010 0.282 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.389 6.708 0.243 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.616 6.203 -0.441 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.917 5.639 -0.494 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.151 5.136 -1.183 1.00 0.00 C ATOM 36 CZ TYR A 3 4.803 4.858 -1.205 1.00 0.00 C ATOM 37 OH TYR A 3 4.338 3.802 -1.946 1.00 0.00 O ATOM 0 H TYR A 3 4.025 9.221 0.941 1.00 0.00 H new ATOM 0 HA TYR A 3 6.600 10.317 0.942 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.337 8.067 1.236 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.794 8.195 2.059 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.693 7.319 0.798 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.675 6.415 -0.422 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.860 5.417 -0.513 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.841 4.523 -1.743 1.00 0.00 H new ATOM 0 HH TYR A 3 3.530 4.073 -2.431 1.00 0.00 H new ATOM 46 N ALA A 4 5.631 9.008 -1.915 1.00 0.00 N ATOM 47 CA ALA A 4 5.927 8.862 -3.339 1.00 0.00 C ATOM 48 C ALA A 4 6.324 10.178 -4.004 1.00 0.00 C ATOM 49 O ALA A 4 6.940 10.174 -5.068 1.00 0.00 O ATOM 50 CB ALA A 4 4.726 8.257 -4.048 1.00 0.00 C ATOM 0 H ALA A 4 4.701 8.680 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 4 6.788 8.199 -3.424 1.00 0.00 H new ATOM 0 HB1 ALA A 4 4.947 8.148 -5.110 1.00 0.00 H new ATOM 0 HB2 ALA A 4 4.506 7.278 -3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 4 3.862 8.910 -3.922 1.00 0.00 H new ATOM 56 N ASP A 5 5.977 11.299 -3.385 1.00 0.00 N ATOM 57 CA ASP A 5 6.314 12.604 -3.947 1.00 0.00 C ATOM 58 C ASP A 5 7.822 12.845 -3.865 1.00 0.00 C ATOM 59 O ASP A 5 8.379 13.643 -4.616 1.00 0.00 O ATOM 60 CB ASP A 5 5.554 13.718 -3.227 1.00 0.00 C ATOM 61 CG ASP A 5 5.380 14.945 -4.097 1.00 0.00 C ATOM 62 OD1 ASP A 5 4.470 14.941 -4.957 1.00 0.00 O ATOM 63 OD2 ASP A 5 6.149 15.915 -3.937 1.00 0.00 O ATOM 0 H ASP A 5 5.467 11.334 -2.502 1.00 0.00 H new ATOM 0 HA ASP A 5 6.016 12.612 -4.996 1.00 0.00 H new ATOM 0 HB2 ASP A 5 4.575 13.349 -2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.089 13.992 -2.318 1.00 0.00 H new ATOM 67 N SER A 6 8.471 12.146 -2.942 1.00 0.00 N ATOM 68 CA SER A 6 9.908 12.246 -2.757 1.00 0.00 C ATOM 69 C SER A 6 10.484 10.851 -2.522 1.00 0.00 C ATOM 70 O SER A 6 11.419 10.664 -1.739 1.00 0.00 O ATOM 71 CB SER A 6 10.230 13.167 -1.579 1.00 0.00 C ATOM 72 OG SER A 6 9.625 14.439 -1.750 1.00 0.00 O ATOM 0 H SER A 6 8.014 11.495 -2.303 1.00 0.00 H new ATOM 0 HA SER A 6 10.360 12.673 -3.652 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.878 12.714 -0.652 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.310 13.283 -1.488 1.00 0.00 H new ATOM 0 HG SER A 6 9.843 15.011 -0.984 1.00 0.00 H new ATOM 77 N SER A 7 9.903 9.869 -3.198 1.00 0.00 N ATOM 78 CA SER A 7 10.340 8.491 -3.075 1.00 0.00 C ATOM 79 C SER A 7 10.357 7.839 -4.451 1.00 0.00 C ATOM 80 O SER A 7 9.721 8.333 -5.383 1.00 0.00 O ATOM 81 CB SER A 7 9.421 7.717 -2.120 1.00 0.00 C ATOM 82 OG SER A 7 9.986 6.473 -1.748 1.00 0.00 O ATOM 0 H SER A 7 9.123 10.006 -3.841 1.00 0.00 H new ATOM 0 HA SER A 7 11.348 8.471 -2.660 1.00 0.00 H new ATOM 0 HB2 SER A 7 9.236 8.315 -1.228 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.456 7.551 -2.598 1.00 0.00 H new ATOM 0 HG SER A 7 10.955 6.498 -1.891 1.00 0.00 H new ATOM 87 N ARG A 8 11.082 6.739 -4.575 1.00 0.00 N ATOM 88 CA ARG A 8 11.191 6.033 -5.842 1.00 0.00 C ATOM 89 C ARG A 8 11.388 4.541 -5.606 1.00 0.00 C ATOM 90 O ARG A 8 11.715 4.124 -4.490 1.00 0.00 O ATOM 91 CB ARG A 8 12.377 6.572 -6.642 1.00 0.00 C ATOM 92 CG ARG A 8 13.712 6.251 -6.004 1.00 0.00 C ATOM 93 CD ARG A 8 14.874 6.698 -6.866 1.00 0.00 C ATOM 94 NE ARG A 8 16.133 6.157 -6.370 1.00 0.00 N ATOM 95 CZ ARG A 8 17.323 6.710 -6.578 1.00 0.00 C ATOM 96 NH1 ARG A 8 17.433 7.816 -7.305 1.00 0.00 N ATOM 97 NH2 ARG A 8 18.407 6.145 -6.057 1.00 0.00 N ATOM 0 H ARG A 8 11.606 6.314 -3.810 1.00 0.00 H new ATOM 0 HA ARG A 8 10.268 6.190 -6.401 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.351 6.153 -7.648 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.279 7.653 -6.744 1.00 0.00 H new ATOM 0 HG2 ARG A 8 13.775 6.737 -5.030 1.00 0.00 H new ATOM 0 HG3 ARG A 8 13.782 5.177 -5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 8 14.715 6.373 -7.894 1.00 0.00 H new ATOM 0 HD3 ARG A 8 14.923 7.787 -6.880 1.00 0.00 H new ATOM 0 HE ARG A 8 16.098 5.295 -5.826 1.00 0.00 H new ATOM 0 HH11 ARG A 8 16.601 8.246 -7.708 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.350 8.235 -7.460 1.00 0.00 H new ATOM 0 HH21 ARG A 8 18.322 5.293 -5.502 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.324 6.563 -6.212 1.00 0.00 H new ATOM 108 N ASN A 9 11.204 3.757 -6.666 1.00 0.00 N ATOM 109 CA ASN A 9 11.376 2.307 -6.617 1.00 0.00 C ATOM 110 C ASN A 9 10.527 1.676 -5.522 1.00 0.00 C ATOM 111 O ASN A 9 11.028 0.930 -4.681 1.00 0.00 O ATOM 112 CB ASN A 9 12.858 1.958 -6.423 1.00 0.00 C ATOM 113 CG ASN A 9 13.689 2.248 -7.659 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.243 2.044 -8.790 1.00 0.00 O ATOM 115 ND2 ASN A 9 14.897 2.754 -7.458 1.00 0.00 N ATOM 0 H ASN A 9 10.931 4.109 -7.584 1.00 0.00 H new ATOM 0 HA ASN A 9 11.036 1.896 -7.568 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.255 2.525 -5.581 1.00 0.00 H new ATOM 0 HB3 ASN A 9 12.949 0.902 -6.167 1.00 0.00 H new ATOM 0 HD21 ASN A 9 15.491 2.988 -8.254 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.233 2.909 -6.508 1.00 0.00 H new ATOM 121 N ALA A 10 9.238 1.977 -5.541 1.00 0.00 N ATOM 122 CA ALA A 10 8.320 1.433 -4.556 1.00 0.00 C ATOM 123 C ALA A 10 7.807 0.077 -5.013 1.00 0.00 C ATOM 124 O ALA A 10 7.158 -0.037 -6.054 1.00 0.00 O ATOM 125 CB ALA A 10 7.163 2.391 -4.316 1.00 0.00 C ATOM 0 H ALA A 10 8.805 2.595 -6.228 1.00 0.00 H new ATOM 0 HA ALA A 10 8.854 1.304 -3.615 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.486 1.966 -3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.549 3.343 -3.951 1.00 0.00 H new ATOM 0 HB3 ALA A 10 6.624 2.552 -5.250 1.00 0.00 H new ATOM 131 N VAL A 11 8.110 -0.947 -4.236 1.00 0.00 N ATOM 132 CA VAL A 11 7.695 -2.305 -4.557 1.00 0.00 C ATOM 133 C VAL A 11 6.781 -2.849 -3.470 1.00 0.00 C ATOM 134 O VAL A 11 6.663 -2.258 -2.394 1.00 0.00 O ATOM 135 CB VAL A 11 8.909 -3.243 -4.720 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.801 -2.775 -5.859 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.695 -3.333 -3.421 1.00 0.00 C ATOM 0 H VAL A 11 8.646 -0.865 -3.372 1.00 0.00 H new ATOM 0 HA VAL A 11 7.157 -2.267 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 11 8.541 -4.239 -4.965 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.651 -3.450 -5.957 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.232 -2.771 -6.789 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.160 -1.768 -5.649 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.547 -3.999 -3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.051 -2.341 -3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.051 -3.723 -2.633 1.00 0.00 H new ATOM 147 N LEU A 12 6.155 -3.984 -3.745 1.00 0.00 N ATOM 148 CA LEU A 12 5.240 -4.594 -2.794 1.00 0.00 C ATOM 149 C LEU A 12 5.873 -5.814 -2.149 1.00 0.00 C ATOM 150 O LEU A 12 6.136 -6.817 -2.820 1.00 0.00 O ATOM 151 CB LEU A 12 3.927 -5.002 -3.488 1.00 0.00 C ATOM 152 CG LEU A 12 3.030 -3.858 -3.974 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.795 -2.857 -2.855 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.620 -3.182 -5.203 1.00 0.00 C ATOM 0 H LEU A 12 6.264 -4.500 -4.618 1.00 0.00 H new ATOM 0 HA LEU A 12 5.020 -3.857 -2.022 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.174 -5.630 -4.344 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.352 -5.617 -2.796 1.00 0.00 H new ATOM 0 HG LEU A 12 2.067 -4.278 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.156 -2.051 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.310 -3.356 -2.016 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.750 -2.445 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.962 -2.375 -5.525 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.601 -2.775 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.720 -3.911 -6.007 1.00 0.00 H new ATOM 165 N THR A 13 6.106 -5.730 -0.850 1.00 0.00 N ATOM 166 CA THR A 13 6.712 -6.821 -0.110 1.00 0.00 C ATOM 167 C THR A 13 5.704 -7.465 0.839 1.00 0.00 C ATOM 168 O THR A 13 4.640 -6.891 1.116 1.00 0.00 O ATOM 169 CB THR A 13 7.946 -6.342 0.685 1.00 0.00 C ATOM 170 OG1 THR A 13 7.627 -5.171 1.449 1.00 0.00 O ATOM 171 CG2 THR A 13 9.105 -6.035 -0.249 1.00 0.00 C ATOM 0 H THR A 13 5.882 -4.911 -0.284 1.00 0.00 H new ATOM 0 HA THR A 13 7.036 -7.565 -0.838 1.00 0.00 H new ATOM 0 HB THR A 13 8.240 -7.145 1.361 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.295 -4.475 1.275 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.963 -5.699 0.334 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.373 -6.934 -0.804 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.812 -5.251 -0.947 1.00 0.00 H new ATOM 179 N ASN A 14 6.034 -8.670 1.307 1.00 0.00 N ATOM 180 CA ASN A 14 5.185 -9.417 2.237 1.00 0.00 C ATOM 181 C ASN A 14 3.831 -9.764 1.624 1.00 0.00 C ATOM 182 O ASN A 14 2.838 -9.905 2.338 1.00 0.00 O ATOM 183 CB ASN A 14 4.987 -8.628 3.535 1.00 0.00 C ATOM 184 CG ASN A 14 6.200 -8.668 4.443 1.00 0.00 C ATOM 185 OD1 ASN A 14 6.887 -9.686 4.542 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.476 -7.557 5.104 1.00 0.00 N ATOM 0 H ASN A 14 6.895 -9.155 1.053 1.00 0.00 H new ATOM 0 HA ASN A 14 5.697 -10.353 2.459 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.756 -7.591 3.292 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.126 -9.029 4.070 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.284 -7.520 5.725 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.881 -6.736 4.993 1.00 0.00 H new ATOM 192 N GLY A 15 3.785 -9.894 0.305 1.00 0.00 N ATOM 193 CA GLY A 15 2.537 -10.235 -0.359 1.00 0.00 C ATOM 194 C GLY A 15 1.835 -9.023 -0.936 1.00 0.00 C ATOM 195 O GLY A 15 0.948 -9.152 -1.781 1.00 0.00 O ATOM 0 H GLY A 15 4.584 -9.771 -0.317 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.738 -10.949 -1.158 1.00 0.00 H new ATOM 0 HA3 GLY A 15 1.875 -10.730 0.352 1.00 0.00 H new ATOM 199 N GLY A 16 2.220 -7.846 -0.466 1.00 0.00 N ATOM 200 CA GLY A 16 1.622 -6.619 -0.956 1.00 0.00 C ATOM 201 C GLY A 16 0.988 -5.813 0.154 1.00 0.00 C ATOM 202 O GLY A 16 -0.037 -5.164 -0.037 1.00 0.00 O ATOM 0 H GLY A 16 2.937 -7.717 0.248 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.384 -6.017 -1.451 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.868 -6.858 -1.706 1.00 0.00 H new ATOM 206 N ARG A 17 1.608 -5.858 1.317 1.00 0.00 N ATOM 207 CA ARG A 17 1.119 -5.137 2.483 1.00 0.00 C ATOM 208 C ARG A 17 2.146 -4.124 2.952 1.00 0.00 C ATOM 209 O ARG A 17 1.810 -3.122 3.581 1.00 0.00 O ATOM 210 CB ARG A 17 0.804 -6.118 3.611 1.00 0.00 C ATOM 211 CG ARG A 17 1.790 -7.270 3.689 1.00 0.00 C ATOM 212 CD ARG A 17 1.760 -7.968 5.034 1.00 0.00 C ATOM 213 NE ARG A 17 2.541 -7.244 6.036 1.00 0.00 N ATOM 214 CZ ARG A 17 3.112 -7.816 7.096 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.893 -9.098 7.364 1.00 0.00 N ATOM 216 NH2 ARG A 17 3.893 -7.099 7.892 1.00 0.00 N ATOM 0 H ARG A 17 2.461 -6.392 1.483 1.00 0.00 H new ATOM 0 HA ARG A 17 0.208 -4.607 2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.803 -5.583 4.561 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.201 -6.516 3.469 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.564 -7.991 2.904 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.796 -6.897 3.499 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.728 -8.060 5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.152 -8.980 4.928 1.00 0.00 H new ATOM 0 HE ARG A 17 2.656 -6.238 5.916 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.286 -9.649 6.758 1.00 0.00 H new ATOM 0 HH12 ARG A 17 3.332 -9.531 8.176 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.056 -6.112 7.693 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.331 -7.534 8.704 1.00 0.00 H new ATOM 227 N THR A 18 3.400 -4.395 2.644 1.00 0.00 N ATOM 228 CA THR A 18 4.481 -3.518 3.035 1.00 0.00 C ATOM 229 C THR A 18 5.044 -2.778 1.825 1.00 0.00 C ATOM 230 O THR A 18 5.253 -3.367 0.761 1.00 0.00 O ATOM 231 CB THR A 18 5.598 -4.320 3.720 1.00 0.00 C ATOM 232 OG1 THR A 18 5.020 -5.271 4.630 1.00 0.00 O ATOM 233 CG2 THR A 18 6.537 -3.402 4.480 1.00 0.00 C ATOM 0 H THR A 18 3.694 -5.220 2.122 1.00 0.00 H new ATOM 0 HA THR A 18 4.084 -2.785 3.738 1.00 0.00 H new ATOM 0 HB THR A 18 6.168 -4.840 2.951 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.857 -4.839 5.495 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.319 -3.994 4.956 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.990 -2.692 3.789 1.00 0.00 H new ATOM 0 HG23 THR A 18 5.978 -2.860 5.242 1.00 0.00 H new ATOM 241 N LEU A 19 5.266 -1.485 1.991 1.00 0.00 N ATOM 242 CA LEU A 19 5.803 -0.651 0.928 1.00 0.00 C ATOM 243 C LEU A 19 7.299 -0.473 1.088 1.00 0.00 C ATOM 244 O LEU A 19 7.749 0.137 2.056 1.00 0.00 O ATOM 245 CB LEU A 19 5.138 0.727 0.940 1.00 0.00 C ATOM 246 CG LEU A 19 3.682 0.761 0.482 1.00 0.00 C ATOM 247 CD1 LEU A 19 3.145 2.180 0.561 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.551 0.221 -0.933 1.00 0.00 C ATOM 0 H LEU A 19 5.081 -0.986 2.861 1.00 0.00 H new ATOM 0 HA LEU A 19 5.597 -1.149 -0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.191 1.127 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.716 1.395 0.302 1.00 0.00 H new ATOM 0 HG LEU A 19 3.094 0.125 1.144 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.106 2.195 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.205 2.535 1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.738 2.830 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.506 0.254 -1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.148 0.830 -1.612 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.906 -0.809 -0.964 1.00 0.00 H new ATOM 259 N ARG A 20 8.067 -1.012 0.155 1.00 0.00 N ATOM 260 CA ARG A 20 9.510 -0.868 0.204 1.00 0.00 C ATOM 261 C ARG A 20 9.943 0.111 -0.875 1.00 0.00 C ATOM 262 O ARG A 20 9.733 -0.142 -2.063 1.00 0.00 O ATOM 263 CB ARG A 20 10.188 -2.222 -0.020 1.00 0.00 C ATOM 264 CG ARG A 20 11.707 -2.148 0.044 1.00 0.00 C ATOM 265 CD ARG A 20 12.364 -3.500 -0.196 1.00 0.00 C ATOM 266 NE ARG A 20 12.214 -4.406 0.941 1.00 0.00 N ATOM 267 CZ ARG A 20 13.178 -5.224 1.369 1.00 0.00 C ATOM 268 NH1 ARG A 20 14.362 -5.237 0.764 1.00 0.00 N ATOM 269 NH2 ARG A 20 12.964 -6.024 2.406 1.00 0.00 N ATOM 0 H ARG A 20 7.718 -1.549 -0.639 1.00 0.00 H new ATOM 0 HA ARG A 20 9.804 -0.494 1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.833 -2.928 0.731 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.890 -2.614 -0.992 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.065 -1.436 -0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.009 -1.768 1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.928 -3.960 -1.083 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.424 -3.353 -0.402 1.00 0.00 H new ATOM 0 HE ARG A 20 11.322 -4.414 1.436 1.00 0.00 H new ATOM 0 HH11 ARG A 20 14.536 -4.621 -0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.096 -5.863 1.094 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.060 -6.015 2.879 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.703 -6.648 2.730 1.00 0.00 H new ATOM 280 N ALA A 21 10.553 1.215 -0.473 1.00 0.00 N ATOM 281 CA ALA A 21 10.984 2.224 -1.432 1.00 0.00 C ATOM 282 C ALA A 21 12.147 3.047 -0.903 1.00 0.00 C ATOM 283 O ALA A 21 12.486 2.981 0.283 1.00 0.00 O ATOM 284 CB ALA A 21 9.815 3.138 -1.771 1.00 0.00 C ATOM 0 H ALA A 21 10.760 1.436 0.501 1.00 0.00 H new ATOM 0 HA ALA A 21 11.326 1.709 -2.330 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.139 3.892 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 21 9.006 2.549 -2.204 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.462 3.628 -0.864 1.00 0.00 H new ATOM 290 N GLU A 22 12.762 3.817 -1.795 1.00 0.00 N ATOM 291 CA GLU A 22 13.853 4.696 -1.420 1.00 0.00 C ATOM 292 C GLU A 22 13.246 6.025 -1.029 1.00 0.00 C ATOM 293 O GLU A 22 12.666 6.717 -1.866 1.00 0.00 O ATOM 294 CB GLU A 22 14.846 4.894 -2.576 1.00 0.00 C ATOM 295 CG GLU A 22 15.642 3.647 -2.923 1.00 0.00 C ATOM 296 CD GLU A 22 16.579 3.868 -4.092 1.00 0.00 C ATOM 297 OE1 GLU A 22 16.150 3.665 -5.243 1.00 0.00 O ATOM 298 OE2 GLU A 22 17.747 4.249 -3.866 1.00 0.00 O ATOM 0 H GLU A 22 12.519 3.847 -2.785 1.00 0.00 H new ATOM 0 HA GLU A 22 14.410 4.255 -0.594 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.299 5.222 -3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.538 5.694 -2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 22 16.219 3.333 -2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.955 2.835 -3.160 1.00 0.00 H new ATOM 303 N CYS A 23 13.325 6.356 0.242 1.00 0.00 N ATOM 304 CA CYS A 23 12.766 7.598 0.730 1.00 0.00 C ATOM 305 C CYS A 23 13.853 8.647 0.840 1.00 0.00 C ATOM 306 O CYS A 23 14.867 8.430 1.501 1.00 0.00 O ATOM 307 CB CYS A 23 12.104 7.375 2.089 1.00 0.00 C ATOM 308 SG CYS A 23 10.833 6.089 2.087 1.00 0.00 S ATOM 0 H CYS A 23 13.772 5.781 0.957 1.00 0.00 H new ATOM 0 HA CYS A 23 12.011 7.949 0.027 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.872 7.111 2.816 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.658 8.312 2.422 1.00 0.00 H new ATOM 0 HG CYS A 23 11.393 4.926 1.935 1.00 0.00 H new ATOM 313 N ARG A 24 13.668 9.766 0.165 1.00 0.00 N ATOM 314 CA ARG A 24 14.635 10.832 0.221 1.00 0.00 C ATOM 315 C ARG A 24 14.492 11.591 1.530 1.00 0.00 C ATOM 316 O ARG A 24 13.487 12.261 1.763 1.00 0.00 O ATOM 317 CB ARG A 24 14.452 11.766 -0.969 1.00 0.00 C ATOM 318 CG ARG A 24 15.407 12.939 -0.968 1.00 0.00 C ATOM 319 CD ARG A 24 15.302 13.725 -2.255 1.00 0.00 C ATOM 320 NE ARG A 24 15.479 15.159 -2.022 1.00 0.00 N ATOM 321 CZ ARG A 24 15.747 16.050 -2.974 1.00 0.00 C ATOM 322 NH1 ARG A 24 15.847 15.674 -4.239 1.00 0.00 N ATOM 323 NH2 ARG A 24 15.915 17.325 -2.651 1.00 0.00 N ATOM 0 H ARG A 24 12.858 9.955 -0.425 1.00 0.00 H new ATOM 0 HA ARG A 24 15.639 10.410 0.174 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.587 11.199 -1.890 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.429 12.141 -0.972 1.00 0.00 H new ATOM 0 HG2 ARG A 24 15.188 13.590 -0.121 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.428 12.581 -0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.056 13.374 -2.960 1.00 0.00 H new ATOM 0 HD3 ARG A 24 14.329 13.547 -2.713 1.00 0.00 H new ATOM 0 HE ARG A 24 15.391 15.499 -1.064 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.718 14.694 -4.491 1.00 0.00 H new ATOM 0 HH12 ARG A 24 16.053 16.364 -4.961 1.00 0.00 H new ATOM 0 HH21 ARG A 24 15.839 17.619 -1.677 1.00 0.00 H new ATOM 0 HH22 ARG A 24 16.121 18.012 -3.376 1.00 0.00 H new ATOM 334 N ASN A 25 15.487 11.455 2.396 1.00 0.00 N ATOM 335 CA ASN A 25 15.466 12.136 3.677 1.00 0.00 C ATOM 336 C ASN A 25 15.770 13.614 3.490 1.00 0.00 C ATOM 337 O ASN A 25 16.225 14.016 2.413 1.00 0.00 O ATOM 338 CB ASN A 25 16.443 11.488 4.677 1.00 0.00 C ATOM 339 CG ASN A 25 17.903 11.542 4.248 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.336 12.460 3.561 1.00 0.00 O ATOM 341 ND2 ASN A 25 18.677 10.550 4.656 1.00 0.00 N ATOM 0 H ASN A 25 16.314 10.881 2.233 1.00 0.00 H new ATOM 0 HA ASN A 25 14.465 12.039 4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.341 11.985 5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.157 10.446 4.824 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.664 10.535 4.400 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.287 9.800 5.227 1.00 0.00 H new ATOM 347 N ALA A 26 15.546 14.407 4.531 1.00 0.00 N ATOM 348 CA ALA A 26 15.770 15.852 4.477 1.00 0.00 C ATOM 349 C ALA A 26 17.181 16.212 4.007 1.00 0.00 C ATOM 350 O ALA A 26 17.391 17.264 3.401 1.00 0.00 O ATOM 351 CB ALA A 26 15.504 16.468 5.838 1.00 0.00 C ATOM 0 H ALA A 26 15.206 14.072 5.432 1.00 0.00 H new ATOM 0 HA ALA A 26 15.074 16.258 3.743 1.00 0.00 H new ATOM 0 HB1 ALA A 26 15.673 17.544 5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.471 16.275 6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.176 16.028 6.574 1.00 0.00 H new ATOM 357 N ASP A 27 18.135 15.322 4.249 1.00 0.00 N ATOM 358 CA ASP A 27 19.524 15.562 3.865 1.00 0.00 C ATOM 359 C ASP A 27 19.727 15.323 2.368 1.00 0.00 C ATOM 360 O ASP A 27 20.808 15.553 1.823 1.00 0.00 O ATOM 361 CB ASP A 27 20.449 14.657 4.678 1.00 0.00 C ATOM 362 CG ASP A 27 21.916 14.969 4.463 1.00 0.00 C ATOM 363 OD1 ASP A 27 22.365 16.053 4.889 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.629 14.127 3.884 1.00 0.00 O ATOM 0 H ASP A 27 17.974 14.426 4.710 1.00 0.00 H new ATOM 0 HA ASP A 27 19.767 16.604 4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.212 14.761 5.737 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.260 13.618 4.409 1.00 0.00 H new ATOM 368 N GLY A 28 18.678 14.863 1.710 1.00 0.00 N ATOM 369 CA GLY A 28 18.748 14.598 0.290 1.00 0.00 C ATOM 370 C GLY A 28 19.384 13.258 0.006 1.00 0.00 C ATOM 371 O GLY A 28 20.024 13.068 -1.029 1.00 0.00 O ATOM 0 H GLY A 28 17.773 14.667 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.745 14.623 -0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.321 15.385 -0.200 1.00 0.00 H new ATOM 375 N ASN A 29 19.219 12.328 0.937 1.00 0.00 N ATOM 376 CA ASN A 29 19.787 10.990 0.788 1.00 0.00 C ATOM 377 C ASN A 29 18.665 9.976 0.633 1.00 0.00 C ATOM 378 O ASN A 29 17.562 10.189 1.130 1.00 0.00 O ATOM 379 CB ASN A 29 20.639 10.632 2.009 1.00 0.00 C ATOM 380 CG ASN A 29 21.794 9.697 1.682 1.00 0.00 C ATOM 381 OD1 ASN A 29 21.707 8.868 0.777 1.00 0.00 O ATOM 382 ND2 ASN A 29 22.885 9.820 2.424 1.00 0.00 N ATOM 0 H ASN A 29 18.698 12.472 1.802 1.00 0.00 H new ATOM 0 HA ASN A 29 20.421 10.973 -0.098 1.00 0.00 H new ATOM 0 HB2 ASN A 29 21.035 11.548 2.449 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.004 10.165 2.762 1.00 0.00 H new ATOM 0 HD21 ASN A 29 23.689 9.216 2.253 1.00 0.00 H new ATOM 0 HD22 ASN A 29 22.921 10.519 3.166 1.00 0.00 H new ATOM 388 N TRP A 30 18.948 8.873 -0.033 1.00 0.00 N ATOM 389 CA TRP A 30 17.940 7.846 -0.254 1.00 0.00 C ATOM 390 C TRP A 30 18.085 6.710 0.744 1.00 0.00 C ATOM 391 O TRP A 30 19.085 5.991 0.750 1.00 0.00 O ATOM 392 CB TRP A 30 18.026 7.294 -1.676 1.00 0.00 C ATOM 393 CG TRP A 30 17.686 8.299 -2.731 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.557 8.981 -3.525 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.377 8.736 -3.105 1.00 0.00 C ATOM 396 NE1 TRP A 30 17.867 9.812 -4.371 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.529 9.681 -4.130 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.093 8.422 -2.670 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.443 10.311 -4.729 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.017 9.047 -3.268 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.196 9.984 -4.285 1.00 0.00 C ATOM 0 H TRP A 30 19.863 8.663 -0.430 1.00 0.00 H new ATOM 0 HA TRP A 30 16.965 8.312 -0.113 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.036 6.922 -1.852 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.352 6.442 -1.767 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.632 8.882 -3.493 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.286 10.428 -5.068 1.00 0.00 H new ATOM 0 HE3 TRP A 30 14.941 7.703 -1.879 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.583 11.034 -5.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.016 8.805 -2.941 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.333 10.458 -4.728 1.00 0.00 H new ATOM 411 N VAL A 31 17.083 6.567 1.591 1.00 0.00 N ATOM 412 CA VAL A 31 17.070 5.517 2.595 1.00 0.00 C ATOM 413 C VAL A 31 15.947 4.524 2.311 1.00 0.00 C ATOM 414 O VAL A 31 14.811 4.917 2.044 1.00 0.00 O ATOM 415 CB VAL A 31 16.921 6.087 4.023 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.218 6.743 4.474 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.782 7.089 4.102 1.00 0.00 C ATOM 0 H VAL A 31 16.260 7.170 1.604 1.00 0.00 H new ATOM 0 HA VAL A 31 18.030 5.003 2.540 1.00 0.00 H new ATOM 0 HB VAL A 31 16.691 5.254 4.688 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.094 7.139 5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.020 6.005 4.470 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.470 7.556 3.793 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.704 7.471 5.120 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.976 7.915 3.418 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.848 6.600 3.825 1.00 0.00 H new ATOM 427 N THR A 32 16.271 3.241 2.344 1.00 0.00 N ATOM 428 CA THR A 32 15.285 2.204 2.084 1.00 0.00 C ATOM 429 C THR A 32 14.426 1.964 3.320 1.00 0.00 C ATOM 430 O THR A 32 14.899 1.435 4.325 1.00 0.00 O ATOM 431 CB THR A 32 15.966 0.887 1.669 1.00 0.00 C ATOM 432 OG1 THR A 32 16.939 1.143 0.641 1.00 0.00 O ATOM 433 CG2 THR A 32 14.942 -0.123 1.164 1.00 0.00 C ATOM 0 H THR A 32 17.208 2.893 2.548 1.00 0.00 H new ATOM 0 HA THR A 32 14.652 2.545 1.265 1.00 0.00 H new ATOM 0 HB THR A 32 16.460 0.468 2.546 1.00 0.00 H new ATOM 0 HG1 THR A 32 17.370 0.302 0.382 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.450 -1.044 0.878 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.221 -0.336 1.954 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.421 0.288 0.299 1.00 0.00 H new ATOM 441 N SER A 33 13.170 2.369 3.245 1.00 0.00 N ATOM 442 CA SER A 33 12.247 2.205 4.355 1.00 0.00 C ATOM 443 C SER A 33 11.022 1.410 3.925 1.00 0.00 C ATOM 444 O SER A 33 10.670 1.391 2.743 1.00 0.00 O ATOM 445 CB SER A 33 11.827 3.573 4.892 1.00 0.00 C ATOM 446 OG SER A 33 12.933 4.265 5.454 1.00 0.00 O ATOM 0 H SER A 33 12.764 2.816 2.423 1.00 0.00 H new ATOM 0 HA SER A 33 12.753 1.652 5.146 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.395 4.166 4.086 1.00 0.00 H new ATOM 0 HB3 SER A 33 11.051 3.448 5.647 1.00 0.00 H new ATOM 0 HG SER A 33 12.764 5.230 5.426 1.00 0.00 H new ATOM 451 N GLU A 34 10.385 0.750 4.887 1.00 0.00 N ATOM 452 CA GLU A 34 9.201 -0.049 4.615 1.00 0.00 C ATOM 453 C GLU A 34 8.102 0.253 5.624 1.00 0.00 C ATOM 454 O GLU A 34 8.348 0.294 6.831 1.00 0.00 O ATOM 455 CB GLU A 34 9.532 -1.545 4.642 1.00 0.00 C ATOM 456 CG GLU A 34 10.455 -1.983 3.519 1.00 0.00 C ATOM 457 CD GLU A 34 10.718 -3.473 3.520 1.00 0.00 C ATOM 458 OE1 GLU A 34 9.945 -4.224 2.880 1.00 0.00 O ATOM 459 OE2 GLU A 34 11.709 -3.901 4.141 1.00 0.00 O ATOM 0 H GLU A 34 10.673 0.755 5.866 1.00 0.00 H new ATOM 0 HA GLU A 34 8.847 0.213 3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.995 -1.789 5.598 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.605 -2.115 4.582 1.00 0.00 H new ATOM 0 HG2 GLU A 34 10.017 -1.697 2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.403 -1.452 3.606 1.00 0.00 H new ATOM 464 N LEU A 35 6.894 0.459 5.128 1.00 0.00 N ATOM 465 CA LEU A 35 5.750 0.742 5.988 1.00 0.00 C ATOM 466 C LEU A 35 4.659 -0.276 5.697 1.00 0.00 C ATOM 467 O LEU A 35 4.333 -0.532 4.537 1.00 0.00 O ATOM 468 CB LEU A 35 5.229 2.173 5.754 1.00 0.00 C ATOM 469 CG LEU A 35 4.306 2.763 6.845 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.912 2.165 6.779 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.902 2.546 8.228 1.00 0.00 C ATOM 0 H LEU A 35 6.676 0.436 4.132 1.00 0.00 H new ATOM 0 HA LEU A 35 6.054 0.669 7.032 1.00 0.00 H new ATOM 0 HB2 LEU A 35 6.088 2.834 5.642 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.689 2.188 4.807 1.00 0.00 H new ATOM 0 HG LEU A 35 4.224 3.834 6.659 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.291 2.603 7.560 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.471 2.376 5.804 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.972 1.086 6.925 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.237 2.969 8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.023 1.478 8.409 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.874 3.036 8.286 1.00 0.00 H new ATOM 482 N ASP A 36 4.115 -0.863 6.749 1.00 0.00 N ATOM 483 CA ASP A 36 3.068 -1.859 6.607 1.00 0.00 C ATOM 484 C ASP A 36 1.705 -1.188 6.616 1.00 0.00 C ATOM 485 O ASP A 36 1.236 -0.714 7.654 1.00 0.00 O ATOM 486 CB ASP A 36 3.158 -2.881 7.744 1.00 0.00 C ATOM 487 CG ASP A 36 4.490 -3.601 7.773 1.00 0.00 C ATOM 488 OD1 ASP A 36 5.435 -3.096 8.418 1.00 0.00 O ATOM 489 OD2 ASP A 36 4.605 -4.677 7.150 1.00 0.00 O ATOM 0 H ASP A 36 4.382 -0.666 7.713 1.00 0.00 H new ATOM 0 HA ASP A 36 3.200 -2.376 5.657 1.00 0.00 H new ATOM 0 HB2 ASP A 36 3.002 -2.375 8.696 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.356 -3.611 7.636 1.00 0.00 H new ATOM 493 N LEU A 37 1.066 -1.159 5.456 1.00 0.00 N ATOM 494 CA LEU A 37 -0.245 -0.539 5.318 1.00 0.00 C ATOM 495 C LEU A 37 -1.344 -1.487 5.773 1.00 0.00 C ATOM 496 O LEU A 37 -2.464 -1.063 6.052 1.00 0.00 O ATOM 497 CB LEU A 37 -0.502 -0.147 3.864 1.00 0.00 C ATOM 498 CG LEU A 37 0.735 0.191 3.034 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.331 0.509 1.610 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.495 1.355 3.643 1.00 0.00 C ATOM 0 H LEU A 37 1.435 -1.559 4.593 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.255 0.352 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.031 -0.966 3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.169 0.715 3.853 1.00 0.00 H new ATOM 0 HG LEU A 37 1.396 -0.676 3.029 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.219 0.749 1.025 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.170 -0.355 1.172 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.348 1.362 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.371 1.576 3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.849 2.232 3.681 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.812 1.094 4.653 1.00 0.00 H new ATOM 511 N ASP A 38 -1.009 -2.771 5.872 1.00 0.00 N ATOM 512 CA ASP A 38 -1.972 -3.794 6.283 1.00 0.00 C ATOM 513 C ASP A 38 -2.490 -3.537 7.692 1.00 0.00 C ATOM 514 O ASP A 38 -3.454 -4.163 8.129 1.00 0.00 O ATOM 515 CB ASP A 38 -1.339 -5.186 6.230 1.00 0.00 C ATOM 516 CG ASP A 38 -0.261 -5.377 7.279 1.00 0.00 C ATOM 517 OD1 ASP A 38 0.900 -5.022 7.004 1.00 0.00 O ATOM 518 OD2 ASP A 38 -0.573 -5.883 8.380 1.00 0.00 O ATOM 0 H ASP A 38 -0.075 -3.130 5.673 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.808 -3.746 5.586 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.114 -5.939 6.370 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.911 -5.349 5.241 1.00 0.00 H new ATOM 522 N THR A 39 -1.841 -2.624 8.396 1.00 0.00 N ATOM 523 CA THR A 39 -2.226 -2.286 9.751 1.00 0.00 C ATOM 524 C THR A 39 -3.467 -1.397 9.773 1.00 0.00 C ATOM 525 O THR A 39 -4.208 -1.382 10.756 1.00 0.00 O ATOM 526 CB THR A 39 -1.072 -1.578 10.488 1.00 0.00 C ATOM 527 OG1 THR A 39 -0.650 -0.415 9.754 1.00 0.00 O ATOM 528 CG2 THR A 39 0.106 -2.521 10.666 1.00 0.00 C ATOM 0 H THR A 39 -1.039 -2.101 8.045 1.00 0.00 H new ATOM 0 HA THR A 39 -2.459 -3.220 10.263 1.00 0.00 H new ATOM 0 HB THR A 39 -1.433 -1.272 11.470 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.001 -0.678 9.068 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.911 -2.003 11.188 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.206 -3.387 11.249 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.460 -2.850 9.689 1.00 0.00 H new ATOM 536 N CYS A 40 -3.702 -0.669 8.685 1.00 0.00 N ATOM 537 CA CYS A 40 -4.854 0.219 8.620 1.00 0.00 C ATOM 538 C CYS A 40 -5.689 -0.008 7.357 1.00 0.00 C ATOM 539 O CYS A 40 -6.768 0.568 7.216 1.00 0.00 O ATOM 540 CB CYS A 40 -4.410 1.680 8.706 1.00 0.00 C ATOM 541 SG CYS A 40 -5.774 2.856 8.893 1.00 0.00 S ATOM 0 H CYS A 40 -3.118 -0.677 7.849 1.00 0.00 H new ATOM 0 HA CYS A 40 -5.488 -0.014 9.476 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.729 1.793 9.549 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.848 1.932 7.807 1.00 0.00 H new ATOM 0 HG CYS A 40 -6.819 2.413 8.259 1.00 0.00 H new ATOM 546 N ILE A 41 -5.201 -0.820 6.426 1.00 0.00 N ATOM 547 CA ILE A 41 -5.964 -1.107 5.215 1.00 0.00 C ATOM 548 C ILE A 41 -6.589 -2.492 5.308 1.00 0.00 C ATOM 549 O ILE A 41 -5.918 -3.465 5.670 1.00 0.00 O ATOM 550 CB ILE A 41 -5.114 -1.037 3.925 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.438 0.323 3.788 1.00 0.00 C ATOM 552 CG2 ILE A 41 -5.989 -1.306 2.708 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.636 0.472 2.512 1.00 0.00 C ATOM 0 H ILE A 41 -4.295 -1.285 6.483 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.730 -0.334 5.150 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.338 -1.800 3.987 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.198 1.103 3.823 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.780 0.481 4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.381 -1.254 1.805 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.433 -2.298 2.791 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.780 -0.558 2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.183 1.463 2.481 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.853 -0.286 2.484 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.294 0.346 1.652 1.00 0.00 H new ATOM 564 N GLY A 42 -7.869 -2.579 4.982 1.00 0.00 N ATOM 565 CA GLY A 42 -8.560 -3.846 5.031 1.00 0.00 C ATOM 566 C GLY A 42 -9.662 -3.915 4.006 1.00 0.00 C ATOM 567 O GLY A 42 -10.123 -2.879 3.516 1.00 0.00 O ATOM 0 H GLY A 42 -8.442 -1.790 4.683 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.850 -4.655 4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.978 -3.995 6.027 1.00 0.00 H new ATOM 571 N ASN A 43 -10.073 -5.130 3.671 1.00 0.00 N ATOM 572 CA ASN A 43 -11.126 -5.337 2.688 1.00 0.00 C ATOM 573 C ASN A 43 -11.716 -6.755 2.753 1.00 0.00 C ATOM 574 O ASN A 43 -11.876 -7.401 1.718 1.00 0.00 O ATOM 575 CB ASN A 43 -10.572 -5.067 1.285 1.00 0.00 C ATOM 576 CG ASN A 43 -9.271 -5.801 1.003 1.00 0.00 C ATOM 577 OD1 ASN A 43 -9.023 -6.894 1.510 1.00 0.00 O ATOM 578 ND2 ASN A 43 -8.415 -5.187 0.209 1.00 0.00 N ATOM 0 H ASN A 43 -9.692 -5.989 4.067 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.934 -4.641 2.916 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.316 -5.362 0.545 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.411 -3.996 1.165 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.515 -5.618 -0.001 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.653 -4.281 -0.195 1.00 0.00 H new ATOM 584 N PRO A 44 -12.112 -7.245 3.950 1.00 0.00 N ATOM 585 CA PRO A 44 -12.666 -8.601 4.091 1.00 0.00 C ATOM 586 C PRO A 44 -14.035 -8.737 3.430 1.00 0.00 C ATOM 587 O PRO A 44 -14.461 -9.834 3.059 1.00 0.00 O ATOM 588 CB PRO A 44 -12.779 -8.786 5.604 1.00 0.00 C ATOM 589 CG PRO A 44 -12.905 -7.405 6.146 1.00 0.00 C ATOM 590 CD PRO A 44 -12.086 -6.529 5.241 1.00 0.00 C ATOM 0 HA PRO A 44 -12.040 -9.350 3.606 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.645 -9.394 5.865 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.902 -9.291 6.008 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.947 -7.085 6.161 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.541 -7.354 7.172 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.514 -5.530 5.154 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.068 -6.409 5.613 1.00 0.00 H new ATOM 595 N ASN A 45 -14.717 -7.610 3.282 1.00 0.00 N ATOM 596 CA ASN A 45 -16.035 -7.585 2.663 1.00 0.00 C ATOM 597 C ASN A 45 -15.913 -7.445 1.154 1.00 0.00 C ATOM 598 O ASN A 45 -16.862 -7.706 0.418 1.00 0.00 O ATOM 599 CB ASN A 45 -16.874 -6.430 3.215 1.00 0.00 C ATOM 600 CG ASN A 45 -17.267 -6.616 4.669 1.00 0.00 C ATOM 601 OD1 ASN A 45 -16.531 -7.206 5.461 1.00 0.00 O ATOM 602 ND2 ASN A 45 -18.434 -6.110 5.031 1.00 0.00 N ATOM 0 H ASN A 45 -14.377 -6.697 3.584 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.531 -8.527 2.898 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.313 -5.501 3.113 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -17.776 -6.325 2.612 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -18.752 -6.202 5.996 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -19.016 -5.628 4.346 1.00 0.00 H new ATOM 608 N GLY A 46 -14.734 -7.047 0.696 1.00 0.00 N ATOM 609 CA GLY A 46 -14.522 -6.866 -0.722 1.00 0.00 C ATOM 610 C GLY A 46 -14.401 -5.410 -1.114 1.00 0.00 C ATOM 611 O GLY A 46 -14.453 -5.073 -2.295 1.00 0.00 O ATOM 0 H GLY A 46 -13.923 -6.847 1.282 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.616 -7.395 -1.020 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.349 -7.318 -1.269 1.00 0.00 H new ATOM 615 N PHE A 47 -14.262 -4.540 -0.124 1.00 0.00 N ATOM 616 CA PHE A 47 -14.127 -3.113 -0.382 1.00 0.00 C ATOM 617 C PHE A 47 -12.875 -2.570 0.287 1.00 0.00 C ATOM 618 O PHE A 47 -12.632 -2.828 1.464 1.00 0.00 O ATOM 619 CB PHE A 47 -15.365 -2.357 0.095 1.00 0.00 C ATOM 620 CG PHE A 47 -16.625 -2.815 -0.578 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.769 -2.703 -1.952 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.658 -3.367 0.160 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.924 -3.134 -2.576 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.815 -3.800 -0.458 1.00 0.00 C ATOM 625 CZ PHE A 47 -18.949 -3.682 -1.828 1.00 0.00 C ATOM 0 H PHE A 47 -14.240 -4.796 0.863 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.035 -2.965 -1.458 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.468 -2.483 1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.227 -1.292 -0.090 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.971 -2.275 -2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.558 -3.460 1.231 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -18.026 -3.043 -3.647 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.613 -4.230 0.129 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.853 -4.017 -2.314 1.00 0.00 H new ATOM 634 N LEU A 48 -12.096 -1.811 -0.468 1.00 0.00 N ATOM 635 CA LEU A 48 -10.848 -1.240 0.028 1.00 0.00 C ATOM 636 C LEU A 48 -11.080 0.051 0.787 1.00 0.00 C ATOM 637 O LEU A 48 -11.964 0.840 0.446 1.00 0.00 O ATOM 638 CB LEU A 48 -9.898 -0.953 -1.137 1.00 0.00 C ATOM 639 CG LEU A 48 -8.920 -2.070 -1.489 1.00 0.00 C ATOM 640 CD1 LEU A 48 -9.658 -3.308 -1.925 1.00 0.00 C ATOM 641 CD2 LEU A 48 -7.966 -1.621 -2.578 1.00 0.00 C ATOM 0 H LEU A 48 -12.307 -1.573 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.410 -1.972 0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.495 -0.727 -2.020 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.326 -0.056 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.343 -2.307 -0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.941 -4.091 -2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.305 -3.649 -1.117 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.263 -3.081 -2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -7.277 -2.432 -2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.532 -1.354 -3.470 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -7.402 -0.754 -2.233 1.00 0.00 H new ATOM 652 N GLY A 49 -10.282 0.260 1.815 1.00 0.00 N ATOM 653 CA GLY A 49 -10.385 1.470 2.587 1.00 0.00 C ATOM 654 C GLY A 49 -9.529 1.427 3.825 1.00 0.00 C ATOM 655 O GLY A 49 -8.981 0.377 4.175 1.00 0.00 O ATOM 0 H GLY A 49 -9.562 -0.390 2.129 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.088 2.319 1.971 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.425 1.631 2.871 1.00 0.00 H new ATOM 659 N TRP A 50 -9.411 2.566 4.484 1.00 0.00 N ATOM 660 CA TRP A 50 -8.623 2.664 5.694 1.00 0.00 C ATOM 661 C TRP A 50 -9.530 2.486 6.906 1.00 0.00 C ATOM 662 O TRP A 50 -10.549 3.167 7.040 1.00 0.00 O ATOM 663 CB TRP A 50 -7.899 4.017 5.761 1.00 0.00 C ATOM 664 CG TRP A 50 -6.905 4.244 4.653 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.140 4.811 3.429 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.510 3.917 4.676 1.00 0.00 C ATOM 667 NE1 TRP A 50 -5.972 4.854 2.697 1.00 0.00 N ATOM 668 CE2 TRP A 50 -4.963 4.311 3.441 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.670 3.329 5.623 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.619 4.132 3.130 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.335 3.156 5.313 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.822 3.557 4.078 1.00 0.00 C ATOM 0 H TRP A 50 -9.854 3.439 4.198 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.868 1.877 5.691 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.641 4.815 5.736 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.382 4.092 6.718 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.099 5.171 3.087 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.877 5.230 1.754 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.057 3.015 6.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.220 4.437 2.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.676 2.702 6.039 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.773 3.409 3.868 1.00 0.00 H new ATOM 682 N GLY A 51 -9.173 1.547 7.763 1.00 0.00 N ATOM 683 CA GLY A 51 -9.953 1.276 8.952 1.00 0.00 C ATOM 684 C GLY A 51 -9.776 -0.153 9.407 1.00 0.00 C ATOM 685 O GLY A 51 -9.440 -0.417 10.562 1.00 0.00 O ATOM 0 H GLY A 51 -8.346 0.959 7.656 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.652 1.955 9.750 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.007 1.468 8.751 1.00 0.00 H new ATOM 689 N MET A 52 -9.996 -1.074 8.485 1.00 0.00 N ATOM 690 CA MET A 52 -9.860 -2.496 8.759 1.00 0.00 C ATOM 691 C MET A 52 -8.401 -2.891 8.541 1.00 0.00 C ATOM 692 O MET A 52 -7.614 -2.066 8.102 1.00 0.00 O ATOM 693 CB MET A 52 -10.803 -3.272 7.833 1.00 0.00 C ATOM 694 CG MET A 52 -11.069 -4.722 8.235 1.00 0.00 C ATOM 695 SD MET A 52 -11.974 -4.893 9.792 1.00 0.00 S ATOM 696 CE MET A 52 -10.683 -4.635 11.008 1.00 0.00 C ATOM 0 H MET A 52 -10.273 -0.859 7.527 1.00 0.00 H new ATOM 0 HA MET A 52 -10.131 -2.730 9.788 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.756 -2.745 7.788 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.385 -3.263 6.826 1.00 0.00 H new ATOM 0 HG2 MET A 52 -11.634 -5.212 7.442 1.00 0.00 H new ATOM 0 HG3 MET A 52 -10.117 -5.246 8.319 1.00 0.00 H new ATOM 0 HE1 MET A 52 -10.787 -5.366 11.810 1.00 0.00 H new ATOM 0 HE2 MET A 52 -9.708 -4.752 10.534 1.00 0.00 H new ATOM 0 HE3 MET A 52 -10.768 -3.630 11.421 1.00 0.00 H new ATOM 704 N GLN A 53 -8.024 -4.124 8.844 1.00 0.00 N ATOM 705 CA GLN A 53 -6.636 -4.534 8.667 1.00 0.00 C ATOM 706 C GLN A 53 -6.528 -5.887 7.970 1.00 0.00 C ATOM 707 O GLN A 53 -7.529 -6.585 7.786 1.00 0.00 O ATOM 708 CB GLN A 53 -5.931 -4.587 10.024 1.00 0.00 C ATOM 709 CG GLN A 53 -6.562 -5.566 10.999 1.00 0.00 C ATOM 710 CD GLN A 53 -5.901 -5.553 12.364 1.00 0.00 C ATOM 711 OE1 GLN A 53 -5.408 -4.398 12.785 1.00 0.00 O flip ATOM 712 NE2 GLN A 53 -5.846 -6.578 13.040 1.00 0.00 N flip ATOM 0 H GLN A 53 -8.645 -4.847 9.207 1.00 0.00 H new ATOM 0 HA GLN A 53 -6.150 -3.795 8.030 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.887 -4.861 9.871 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.938 -3.591 10.467 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.620 -5.327 11.111 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.505 -6.572 10.583 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.238 -7.448 12.680 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -5.409 -6.558 13.961 1.00 0.00 H new ATOM 719 N ASN A 54 -5.299 -6.234 7.581 1.00 0.00 N ATOM 720 CA ASN A 54 -4.995 -7.508 6.922 1.00 0.00 C ATOM 721 C ASN A 54 -5.637 -7.630 5.543 1.00 0.00 C ATOM 722 O ASN A 54 -6.072 -8.713 5.150 1.00 0.00 O ATOM 723 CB ASN A 54 -5.412 -8.691 7.801 1.00 0.00 C ATOM 724 CG ASN A 54 -4.234 -9.312 8.520 1.00 0.00 C ATOM 725 OD1 ASN A 54 -3.602 -10.233 8.006 1.00 0.00 O ATOM 726 ND2 ASN A 54 -3.928 -8.813 9.706 1.00 0.00 N ATOM 0 H ASN A 54 -4.483 -5.637 7.714 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.915 -7.528 6.778 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.147 -8.356 8.533 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.898 -9.446 7.184 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -3.141 -9.193 10.231 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -4.479 -8.048 10.095 1.00 0.00 H new ATOM 732 N PHE A 55 -5.659 -6.531 4.797 1.00 0.00 N ATOM 733 CA PHE A 55 -6.241 -6.531 3.457 1.00 0.00 C ATOM 734 C PHE A 55 -5.491 -7.493 2.536 1.00 0.00 C ATOM 735 O PHE A 55 -6.074 -8.074 1.631 1.00 0.00 O ATOM 736 CB PHE A 55 -6.227 -5.121 2.852 1.00 0.00 C ATOM 737 CG PHE A 55 -4.877 -4.650 2.382 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.893 -4.283 3.287 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.596 -4.564 1.026 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.659 -3.841 2.851 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.362 -4.124 0.585 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.393 -3.762 1.501 1.00 0.00 C ATOM 0 H PHE A 55 -5.282 -5.631 5.095 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.275 -6.864 3.549 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.919 -5.095 2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.603 -4.418 3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.094 -4.343 4.346 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.351 -4.844 0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.903 -3.557 3.568 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.156 -4.063 -0.473 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.428 -3.417 1.159 1.00 0.00 H new ATOM 751 N SER A 56 -4.202 -7.672 2.801 1.00 0.00 N ATOM 752 CA SER A 56 -3.352 -8.540 1.996 1.00 0.00 C ATOM 753 C SER A 56 -3.897 -9.969 1.921 1.00 0.00 C ATOM 754 O SER A 56 -3.808 -10.619 0.880 1.00 0.00 O ATOM 755 CB SER A 56 -1.933 -8.541 2.570 1.00 0.00 C ATOM 756 OG SER A 56 -1.036 -9.255 1.739 1.00 0.00 O ATOM 0 H SER A 56 -3.718 -7.221 3.577 1.00 0.00 H new ATOM 0 HA SER A 56 -3.338 -8.148 0.979 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.585 -7.514 2.684 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.942 -8.987 3.564 1.00 0.00 H new ATOM 0 HG SER A 56 -0.139 -9.235 2.133 1.00 0.00 H new ATOM 761 N HIS A 57 -4.485 -10.447 3.013 1.00 0.00 N ATOM 762 CA HIS A 57 -5.020 -11.805 3.043 1.00 0.00 C ATOM 763 C HIS A 57 -6.393 -11.880 2.387 1.00 0.00 C ATOM 764 O HIS A 57 -6.846 -12.956 2.002 1.00 0.00 O ATOM 765 CB HIS A 57 -5.088 -12.339 4.474 1.00 0.00 C ATOM 766 CG HIS A 57 -3.749 -12.720 5.020 1.00 0.00 C ATOM 767 ND1 HIS A 57 -3.187 -12.127 6.129 1.00 0.00 N ATOM 768 CD2 HIS A 57 -2.851 -13.641 4.596 1.00 0.00 C ATOM 769 CE1 HIS A 57 -2.004 -12.663 6.360 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.777 -13.585 5.447 1.00 0.00 N ATOM 0 H HIS A 57 -4.603 -9.922 3.880 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.337 -12.432 2.471 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.534 -11.581 5.118 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.746 -13.208 4.501 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -3.618 -11.389 6.685 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -2.960 -14.298 3.746 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -1.334 -12.392 7.163 1.00 0.00 H new ATOM 778 N SER A 58 -7.042 -10.736 2.248 1.00 0.00 N ATOM 779 CA SER A 58 -8.358 -10.680 1.636 1.00 0.00 C ATOM 780 C SER A 58 -8.273 -10.073 0.240 1.00 0.00 C ATOM 781 O SER A 58 -9.271 -9.614 -0.308 1.00 0.00 O ATOM 782 CB SER A 58 -9.307 -9.860 2.512 1.00 0.00 C ATOM 783 OG SER A 58 -9.327 -10.359 3.839 1.00 0.00 O ATOM 0 H SER A 58 -6.678 -9.833 2.551 1.00 0.00 H new ATOM 0 HA SER A 58 -8.745 -11.695 1.547 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.994 -8.816 2.516 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.313 -9.890 2.093 1.00 0.00 H new ATOM 0 HG SER A 58 -9.939 -9.819 4.382 1.00 0.00 H new ATOM 788 N SER A 59 -7.080 -10.073 -0.338 1.00 0.00 N ATOM 789 CA SER A 59 -6.890 -9.514 -1.665 1.00 0.00 C ATOM 790 C SER A 59 -6.004 -10.402 -2.526 1.00 0.00 C ATOM 791 O SER A 59 -5.167 -11.154 -2.022 1.00 0.00 O ATOM 792 CB SER A 59 -6.267 -8.121 -1.574 1.00 0.00 C ATOM 793 OG SER A 59 -7.086 -7.246 -0.826 1.00 0.00 O ATOM 0 H SER A 59 -6.235 -10.452 0.090 1.00 0.00 H new ATOM 0 HA SER A 59 -7.873 -9.448 -2.131 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.283 -8.189 -1.110 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.120 -7.719 -2.576 1.00 0.00 H new ATOM 0 HG SER A 59 -6.912 -7.373 0.130 1.00 0.00 H new ATOM 798 N GLU A 60 -6.214 -10.314 -3.829 1.00 0.00 N ATOM 799 CA GLU A 60 -5.440 -11.071 -4.796 1.00 0.00 C ATOM 800 C GLU A 60 -4.912 -10.124 -5.867 1.00 0.00 C ATOM 801 O GLU A 60 -5.645 -9.245 -6.335 1.00 0.00 O ATOM 802 CB GLU A 60 -6.302 -12.177 -5.413 1.00 0.00 C ATOM 803 CG GLU A 60 -6.682 -13.263 -4.419 1.00 0.00 C ATOM 804 CD GLU A 60 -7.778 -14.170 -4.929 1.00 0.00 C ATOM 805 OE1 GLU A 60 -7.568 -14.856 -5.948 1.00 0.00 O ATOM 806 OE2 GLU A 60 -8.860 -14.206 -4.310 1.00 0.00 O ATOM 0 H GLU A 60 -6.927 -9.715 -4.245 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.594 -11.546 -4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.210 -11.735 -5.824 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.762 -12.628 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.801 -13.861 -4.188 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.006 -12.799 -3.487 1.00 0.00 H new ATOM 811 N ASP A 61 -3.641 -10.296 -6.231 1.00 0.00 N ATOM 812 CA ASP A 61 -2.980 -9.456 -7.239 1.00 0.00 C ATOM 813 C ASP A 61 -2.893 -8.005 -6.780 1.00 0.00 C ATOM 814 O ASP A 61 -3.732 -7.172 -7.130 1.00 0.00 O ATOM 815 CB ASP A 61 -3.684 -9.536 -8.596 1.00 0.00 C ATOM 816 CG ASP A 61 -3.522 -10.889 -9.253 1.00 0.00 C ATOM 817 OD1 ASP A 61 -2.393 -11.217 -9.673 1.00 0.00 O ATOM 818 OD2 ASP A 61 -4.520 -11.637 -9.334 1.00 0.00 O ATOM 0 H ASP A 61 -3.039 -11.019 -5.838 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.969 -9.845 -7.358 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.745 -9.324 -8.464 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.284 -8.765 -9.255 1.00 0.00 H new ATOM 822 N ILE A 62 -1.870 -7.715 -5.991 1.00 0.00 N ATOM 823 CA ILE A 62 -1.644 -6.373 -5.468 1.00 0.00 C ATOM 824 C ILE A 62 -0.546 -5.670 -6.268 1.00 0.00 C ATOM 825 O ILE A 62 0.564 -6.190 -6.395 1.00 0.00 O ATOM 826 CB ILE A 62 -1.245 -6.430 -3.976 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.352 -7.111 -3.162 1.00 0.00 C ATOM 828 CG2 ILE A 62 -0.964 -5.032 -3.445 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.028 -7.271 -1.692 1.00 0.00 C ATOM 0 H ILE A 62 -1.174 -8.399 -5.695 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.573 -5.810 -5.563 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.332 -7.017 -3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.270 -6.531 -3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.550 -8.094 -3.589 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.685 -5.092 -2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.148 -4.585 -4.012 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.858 -4.417 -3.549 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.861 -7.761 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.129 -7.878 -1.581 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.860 -6.290 -1.247 1.00 0.00 H new ATOM 840 N LYS A 63 -0.855 -4.499 -6.816 1.00 0.00 N ATOM 841 CA LYS A 63 0.118 -3.757 -7.608 1.00 0.00 C ATOM 842 C LYS A 63 -0.044 -2.249 -7.414 1.00 0.00 C ATOM 843 O LYS A 63 -1.117 -1.774 -7.056 1.00 0.00 O ATOM 844 CB LYS A 63 -0.052 -4.097 -9.091 1.00 0.00 C ATOM 845 CG LYS A 63 1.263 -4.228 -9.839 1.00 0.00 C ATOM 846 CD LYS A 63 2.032 -5.446 -9.363 1.00 0.00 C ATOM 847 CE LYS A 63 3.411 -5.541 -9.992 1.00 0.00 C ATOM 848 NZ LYS A 63 4.161 -6.720 -9.481 1.00 0.00 N ATOM 0 H LYS A 63 -1.765 -4.047 -6.727 1.00 0.00 H new ATOM 0 HA LYS A 63 1.114 -4.044 -7.272 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.606 -5.032 -9.180 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.655 -3.323 -9.566 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.072 -4.308 -10.909 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.864 -3.331 -9.688 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.132 -5.408 -8.278 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.465 -6.346 -9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.314 -5.611 -11.075 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.973 -4.631 -9.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.098 -6.756 -9.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.274 -6.640 -8.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 3.636 -7.589 -9.705 1.00 0.00 H new ATOM 858 N LEU A 64 1.036 -1.509 -7.629 1.00 0.00 N ATOM 859 CA LEU A 64 1.013 -0.052 -7.513 1.00 0.00 C ATOM 860 C LEU A 64 0.891 0.581 -8.898 1.00 0.00 C ATOM 861 O LEU A 64 1.699 0.302 -9.785 1.00 0.00 O ATOM 862 CB LEU A 64 2.290 0.445 -6.828 1.00 0.00 C ATOM 863 CG LEU A 64 2.420 0.078 -5.351 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.824 0.375 -4.851 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.398 0.835 -4.521 1.00 0.00 C ATOM 0 H LEU A 64 1.945 -1.894 -7.886 1.00 0.00 H new ATOM 0 HA LEU A 64 0.152 0.237 -6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.150 0.043 -7.363 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.335 1.530 -6.922 1.00 0.00 H new ATOM 0 HG LEU A 64 2.230 -0.990 -5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 64 3.899 0.108 -3.797 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.545 -0.207 -5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.036 1.437 -4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.506 0.560 -3.472 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.560 1.907 -4.634 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.394 0.582 -4.861 1.00 0.00 H new ATOM 876 N GLU A 65 -0.121 1.425 -9.082 1.00 0.00 N ATOM 877 CA GLU A 65 -0.339 2.083 -10.372 1.00 0.00 C ATOM 878 C GLU A 65 0.465 3.365 -10.483 1.00 0.00 C ATOM 879 O GLU A 65 1.308 3.513 -11.364 1.00 0.00 O ATOM 880 CB GLU A 65 -1.808 2.439 -10.582 1.00 0.00 C ATOM 881 CG GLU A 65 -2.761 1.276 -10.456 1.00 0.00 C ATOM 882 CD GLU A 65 -4.121 1.606 -11.031 1.00 0.00 C ATOM 883 OE1 GLU A 65 -4.802 2.493 -10.480 1.00 0.00 O ATOM 884 OE2 GLU A 65 -4.512 0.987 -12.040 1.00 0.00 O ATOM 0 H GLU A 65 -0.800 1.670 -8.361 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.017 1.370 -11.131 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -2.090 3.203 -9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -1.923 2.880 -11.572 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.348 0.409 -10.971 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.866 1.003 -9.406 1.00 0.00 H new ATOM 889 N GLU A 66 0.195 4.292 -9.577 1.00 0.00 N ATOM 890 CA GLU A 66 0.859 5.590 -9.572 1.00 0.00 C ATOM 891 C GLU A 66 2.260 5.502 -8.985 1.00 0.00 C ATOM 892 O GLU A 66 2.683 6.376 -8.230 1.00 0.00 O ATOM 893 CB GLU A 66 0.027 6.586 -8.778 1.00 0.00 C ATOM 894 CG GLU A 66 -1.443 6.536 -9.129 1.00 0.00 C ATOM 895 CD GLU A 66 -2.235 7.676 -8.529 1.00 0.00 C ATOM 896 OE1 GLU A 66 -2.573 7.609 -7.333 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.524 8.645 -9.261 1.00 0.00 O ATOM 0 H GLU A 66 -0.486 4.169 -8.828 1.00 0.00 H new ATOM 0 HA GLU A 66 0.952 5.925 -10.605 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.148 6.386 -7.713 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.404 7.593 -8.958 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -1.552 6.557 -10.213 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -1.861 5.590 -8.784 1.00 0.00 H new ATOM 902 N GLY A 67 2.948 4.415 -9.298 1.00 0.00 N ATOM 903 CA GLY A 67 4.307 4.207 -8.824 1.00 0.00 C ATOM 904 C GLY A 67 4.402 3.992 -7.327 1.00 0.00 C ATOM 905 O GLY A 67 5.481 3.704 -6.809 1.00 0.00 O ATOM 0 H GLY A 67 2.585 3.660 -9.881 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.732 3.343 -9.334 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.914 5.070 -9.098 1.00 0.00 H new ATOM 909 N GLY A 68 3.279 4.115 -6.634 1.00 0.00 N ATOM 910 CA GLY A 68 3.275 3.940 -5.201 1.00 0.00 C ATOM 911 C GLY A 68 2.274 4.844 -4.520 1.00 0.00 C ATOM 912 O GLY A 68 2.056 4.736 -3.317 1.00 0.00 O ATOM 0 H GLY A 68 2.370 4.333 -7.042 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.045 2.901 -4.964 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.272 4.143 -4.809 1.00 0.00 H new ATOM 916 N ARG A 69 1.665 5.745 -5.287 1.00 0.00 N ATOM 917 CA ARG A 69 0.677 6.662 -4.735 1.00 0.00 C ATOM 918 C ARG A 69 -0.677 5.965 -4.636 1.00 0.00 C ATOM 919 O ARG A 69 -1.560 6.394 -3.893 1.00 0.00 O ATOM 920 CB ARG A 69 0.561 7.908 -5.617 1.00 0.00 C ATOM 921 CG ARG A 69 -0.165 9.068 -4.955 1.00 0.00 C ATOM 922 CD ARG A 69 0.748 9.824 -4.007 1.00 0.00 C ATOM 923 NE ARG A 69 1.840 10.487 -4.721 1.00 0.00 N ATOM 924 CZ ARG A 69 2.048 11.801 -4.702 1.00 0.00 C ATOM 925 NH1 ARG A 69 1.240 12.592 -4.005 1.00 0.00 N ATOM 926 NH2 ARG A 69 3.058 12.323 -5.389 1.00 0.00 N ATOM 0 H ARG A 69 1.838 5.858 -6.286 1.00 0.00 H new ATOM 0 HA ARG A 69 0.996 6.967 -3.738 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.562 8.234 -5.902 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.039 7.643 -6.536 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.541 9.748 -5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -1.030 8.693 -4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.168 10.566 -3.458 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.160 9.134 -3.271 1.00 0.00 H new ATOM 0 HE ARG A 69 2.479 9.908 -5.265 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.460 12.192 -3.484 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.400 13.599 -3.991 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.674 11.717 -5.931 1.00 0.00 H new ATOM 0 HH22 ARG A 69 3.218 13.330 -5.375 1.00 0.00 H new ATOM 937 N LYS A 70 -0.822 4.871 -5.373 1.00 0.00 N ATOM 938 CA LYS A 70 -2.066 4.120 -5.385 1.00 0.00 C ATOM 939 C LYS A 70 -1.798 2.629 -5.482 1.00 0.00 C ATOM 940 O LYS A 70 -0.961 2.190 -6.276 1.00 0.00 O ATOM 941 CB LYS A 70 -2.934 4.564 -6.558 1.00 0.00 C ATOM 942 CG LYS A 70 -4.346 3.999 -6.522 1.00 0.00 C ATOM 943 CD LYS A 70 -5.251 4.701 -7.518 1.00 0.00 C ATOM 944 CE LYS A 70 -5.466 6.159 -7.136 1.00 0.00 C ATOM 945 NZ LYS A 70 -6.315 6.887 -8.116 1.00 0.00 N ATOM 0 H LYS A 70 -0.091 4.485 -5.970 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.591 4.318 -4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.988 5.653 -6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.454 4.261 -7.489 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.318 2.932 -6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.756 4.106 -5.518 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.812 4.644 -8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -6.212 4.189 -7.563 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -5.931 6.208 -6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -4.499 6.657 -7.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -6.430 7.874 -7.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -5.861 6.866 -9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -7.248 6.431 -8.173 1.00 0.00 H new ATOM 955 N LEU A 71 -2.523 1.868 -4.681 1.00 0.00 N ATOM 956 CA LEU A 71 -2.386 0.422 -4.645 1.00 0.00 C ATOM 957 C LEU A 71 -3.674 -0.234 -5.129 1.00 0.00 C ATOM 958 O LEU A 71 -4.740 -0.046 -4.538 1.00 0.00 O ATOM 959 CB LEU A 71 -2.047 -0.019 -3.214 1.00 0.00 C ATOM 960 CG LEU A 71 -1.808 -1.518 -2.996 1.00 0.00 C ATOM 961 CD1 LEU A 71 -0.865 -1.728 -1.822 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.119 -2.248 -2.735 1.00 0.00 C ATOM 0 H LEU A 71 -3.224 2.235 -4.037 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.579 0.110 -5.308 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.154 0.518 -2.894 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.860 0.295 -2.559 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.360 -1.925 -3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.700 -2.795 -1.674 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.087 -1.239 -2.028 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.305 -1.300 -0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.921 -3.309 -2.584 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.593 -1.837 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.783 -2.121 -3.590 1.00 0.00 H new ATOM 973 N THR A 72 -3.577 -0.984 -6.210 1.00 0.00 N ATOM 974 CA THR A 72 -4.726 -1.671 -6.761 1.00 0.00 C ATOM 975 C THR A 72 -4.621 -3.169 -6.534 1.00 0.00 C ATOM 976 O THR A 72 -3.572 -3.776 -6.752 1.00 0.00 O ATOM 977 CB THR A 72 -4.890 -1.394 -8.262 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.610 -1.405 -8.908 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.583 -0.061 -8.487 1.00 0.00 C ATOM 0 H THR A 72 -2.709 -1.132 -6.725 1.00 0.00 H new ATOM 0 HA THR A 72 -5.604 -1.286 -6.241 1.00 0.00 H new ATOM 0 HB THR A 72 -5.509 -2.180 -8.694 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.725 -1.229 -9.865 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.690 0.117 -9.557 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.569 -0.080 -8.022 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.988 0.738 -8.044 1.00 0.00 H new ATOM 987 N CYS A 73 -5.711 -3.752 -6.090 1.00 0.00 N ATOM 988 CA CYS A 73 -5.769 -5.175 -5.823 1.00 0.00 C ATOM 989 C CYS A 73 -7.211 -5.632 -5.896 1.00 0.00 C ATOM 990 O CYS A 73 -8.122 -4.805 -5.901 1.00 0.00 O ATOM 991 CB CYS A 73 -5.186 -5.479 -4.438 1.00 0.00 C ATOM 992 SG CYS A 73 -5.942 -4.535 -3.094 1.00 0.00 S ATOM 0 H CYS A 73 -6.582 -3.256 -5.903 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.179 -5.710 -6.567 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.304 -6.543 -4.232 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.115 -5.274 -4.454 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.385 -4.863 -1.966 1.00 0.00 H new ATOM 997 N ARG A 74 -7.428 -6.926 -5.997 1.00 0.00 N ATOM 998 CA ARG A 74 -8.778 -7.440 -6.048 1.00 0.00 C ATOM 999 C ARG A 74 -9.185 -7.984 -4.690 1.00 0.00 C ATOM 1000 O ARG A 74 -8.765 -9.075 -4.298 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.920 -8.522 -7.115 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.270 -9.210 -7.094 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.243 -10.495 -7.895 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.435 -11.303 -7.661 1.00 0.00 N ATOM 1005 CZ ARG A 74 -11.426 -12.450 -6.981 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -10.295 -12.883 -6.439 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -12.540 -13.164 -6.842 1.00 0.00 N ATOM 0 H ARG A 74 -6.695 -7.634 -6.045 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.441 -6.617 -6.315 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.762 -8.077 -8.097 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.138 -9.268 -6.973 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.555 -9.426 -6.064 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.028 -8.541 -7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.165 -10.260 -8.957 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.356 -11.070 -7.630 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.323 -10.973 -8.038 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.438 -12.339 -6.544 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.282 -13.760 -5.918 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.412 -12.835 -7.258 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.522 -14.040 -6.320 1.00 0.00 H new ATOM 1018 N PRO A 75 -9.977 -7.208 -3.947 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.469 -7.613 -2.638 1.00 0.00 C ATOM 1020 C PRO A 75 -11.490 -8.716 -2.784 1.00 0.00 C ATOM 1021 O PRO A 75 -12.412 -8.603 -3.592 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.145 -6.357 -2.102 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.552 -5.613 -3.325 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.470 -5.875 -4.327 1.00 0.00 C ATOM 0 HA PRO A 75 -9.679 -7.989 -1.987 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.006 -6.602 -1.480 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.464 -5.770 -1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.519 -5.958 -3.691 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.650 -4.547 -3.122 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.854 -5.863 -5.347 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.682 -5.124 -4.275 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.306 -9.786 -2.046 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.214 -10.905 -2.094 1.00 0.00 C ATOM 1031 C LYS A 76 -12.810 -11.180 -0.724 1.00 0.00 C ATOM 1032 O LYS A 76 -12.126 -11.066 0.291 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.495 -12.139 -2.641 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.142 -12.412 -1.986 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.257 -13.307 -0.760 1.00 0.00 C ATOM 1036 CE LYS A 76 -10.365 -14.772 -1.150 1.00 0.00 C ATOM 1037 NZ LYS A 76 -9.152 -15.243 -1.872 1.00 0.00 N ATOM 0 H LYS A 76 -10.526 -9.904 -1.399 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.037 -10.659 -2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.136 -13.010 -2.504 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.349 -12.016 -3.714 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.478 -12.880 -2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.683 -11.466 -1.699 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.387 -13.163 -0.120 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.132 -13.019 -0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.513 -15.376 -0.255 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.242 -14.916 -1.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.017 -16.259 -1.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -9.270 -15.080 -2.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.320 -14.719 -1.532 1.00 0.00 H new ATOM 1047 N THR A 77 -14.089 -11.525 -0.689 1.00 0.00 N ATOM 1048 CA THR A 77 -14.726 -11.836 0.570 1.00 0.00 C ATOM 1049 C THR A 77 -14.294 -13.228 0.989 1.00 0.00 C ATOM 1050 O THR A 77 -14.342 -14.164 0.183 1.00 0.00 O ATOM 1051 CB THR A 77 -16.270 -11.764 0.496 1.00 0.00 C ATOM 1052 OG1 THR A 77 -16.828 -11.927 1.804 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.840 -12.838 -0.426 1.00 0.00 C ATOM 0 H THR A 77 -14.693 -11.594 -1.508 1.00 0.00 H new ATOM 0 HA THR A 77 -14.416 -11.090 1.301 1.00 0.00 H new ATOM 0 HB THR A 77 -16.535 -10.787 0.092 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.805 -11.879 1.751 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.927 -12.756 -0.452 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.441 -12.703 -1.432 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.560 -13.823 -0.054 1.00 0.00 H new ATOM 1061 N VAL A 78 -13.858 -13.355 2.234 1.00 0.00 N ATOM 1062 CA VAL A 78 -13.399 -14.629 2.770 1.00 0.00 C ATOM 1063 C VAL A 78 -14.560 -15.581 3.016 1.00 0.00 C ATOM 1064 O VAL A 78 -14.361 -16.740 3.371 1.00 0.00 O ATOM 1065 CB VAL A 78 -12.609 -14.436 4.076 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -11.360 -13.615 3.814 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -13.473 -13.779 5.147 1.00 0.00 C ATOM 0 H VAL A 78 -13.812 -12.582 2.898 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.740 -15.066 2.020 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.311 -15.417 4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.808 -13.484 4.745 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.731 -14.131 3.089 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.642 -12.639 3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.890 -13.655 6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -13.809 -12.804 4.795 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.339 -14.409 5.353 1.00 0.00 H new ATOM 1077 N ASP A 79 -15.773 -15.079 2.833 1.00 0.00 N ATOM 1078 CA ASP A 79 -16.964 -15.890 3.014 1.00 0.00 C ATOM 1079 C ASP A 79 -17.041 -16.962 1.933 1.00 0.00 C ATOM 1080 O ASP A 79 -17.467 -18.086 2.187 1.00 0.00 O ATOM 1081 CB ASP A 79 -18.219 -15.016 2.973 1.00 0.00 C ATOM 1082 CG ASP A 79 -19.491 -15.834 3.053 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.843 -16.291 4.163 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -20.151 -16.018 2.010 1.00 0.00 O ATOM 0 H ASP A 79 -15.956 -14.114 2.559 1.00 0.00 H new ATOM 0 HA ASP A 79 -16.907 -16.373 3.989 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.193 -14.307 3.801 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -18.222 -14.432 2.053 1.00 0.00 H new ATOM 1088 N GLY A 80 -16.606 -16.608 0.731 1.00 0.00 N ATOM 1089 CA GLY A 80 -16.639 -17.553 -0.370 1.00 0.00 C ATOM 1090 C GLY A 80 -15.470 -17.396 -1.327 1.00 0.00 C ATOM 1091 O GLY A 80 -15.226 -18.267 -2.158 1.00 0.00 O ATOM 0 H GLY A 80 -16.232 -15.688 0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.640 -18.567 0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -17.571 -17.427 -0.921 1.00 0.00 H new ATOM 1095 N GLY A 81 -14.754 -16.281 -1.226 1.00 0.00 N ATOM 1096 CA GLY A 81 -13.620 -16.048 -2.095 1.00 0.00 C ATOM 1097 C GLY A 81 -14.024 -15.371 -3.384 1.00 0.00 C ATOM 1098 O GLY A 81 -13.278 -15.372 -4.364 1.00 0.00 O ATOM 0 H GLY A 81 -14.941 -15.535 -0.556 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.886 -15.431 -1.576 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.135 -16.998 -2.321 1.00 0.00 H new ATOM 1102 N PHE A 82 -15.215 -14.799 -3.380 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.749 -14.121 -4.559 1.00 0.00 C ATOM 1104 C PHE A 82 -15.815 -12.633 -4.294 1.00 0.00 C ATOM 1105 O PHE A 82 -16.014 -12.246 -3.149 1.00 0.00 O ATOM 1106 CB PHE A 82 -17.141 -14.665 -4.915 1.00 0.00 C ATOM 1107 CG PHE A 82 -18.118 -14.650 -3.769 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -18.909 -13.538 -3.519 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -18.239 -15.750 -2.937 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -19.797 -13.526 -2.460 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -19.123 -15.743 -1.877 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.902 -14.632 -1.638 1.00 0.00 C ATOM 0 H PHE A 82 -15.837 -14.788 -2.572 1.00 0.00 H new ATOM 0 HA PHE A 82 -15.089 -14.308 -5.406 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.551 -14.076 -5.736 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -17.038 -15.688 -5.277 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -18.830 -12.672 -4.159 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -17.633 -16.625 -3.120 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -20.407 -12.654 -2.275 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -19.204 -16.608 -1.235 1.00 0.00 H new ATOM 0 HZ PHE A 82 -20.594 -14.625 -0.809 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.644 -11.806 -5.328 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.698 -10.351 -5.160 1.00 0.00 C ATOM 1123 C ARG A 83 -15.284 -9.614 -6.432 1.00 0.00 C ATOM 1124 O ARG A 83 -15.267 -10.188 -7.519 1.00 0.00 O ATOM 1125 CB ARG A 83 -14.788 -9.925 -4.028 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.401 -8.909 -3.081 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.479 -9.538 -2.218 1.00 0.00 C ATOM 1128 NE ARG A 83 -17.766 -9.604 -2.908 1.00 0.00 N ATOM 1129 CZ ARG A 83 -18.946 -9.520 -2.296 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -19.007 -9.289 -0.991 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.065 -9.631 -2.996 1.00 0.00 N ATOM 0 H ARG A 83 -15.468 -12.115 -6.284 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.732 -10.091 -4.933 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.500 -10.808 -3.458 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.875 -9.506 -4.450 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -14.623 -8.487 -2.445 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -15.826 -8.085 -3.654 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.171 -10.543 -1.929 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.590 -8.962 -1.299 1.00 0.00 H new ATOM 0 HE ARG A 83 -17.760 -9.722 -3.921 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.148 -9.175 -0.453 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.913 -9.225 -0.526 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.023 -9.781 -4.004 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.968 -9.567 -2.527 1.00 0.00 H new ATOM 1142 N GLU A 84 -14.908 -8.347 -6.268 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.535 -7.489 -7.388 1.00 0.00 C ATOM 1144 C GLU A 84 -13.152 -6.894 -7.151 1.00 0.00 C ATOM 1145 O GLU A 84 -12.588 -7.056 -6.078 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.538 -6.340 -7.513 1.00 0.00 C ATOM 1147 CG GLU A 84 -17.004 -6.751 -7.435 1.00 0.00 C ATOM 1148 CD GLU A 84 -17.408 -7.741 -8.510 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -17.281 -7.414 -9.710 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -17.860 -8.852 -8.161 1.00 0.00 O ATOM 0 H GLU A 84 -14.854 -7.889 -5.358 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.531 -8.088 -8.299 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.337 -5.615 -6.724 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -15.369 -5.832 -8.463 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.200 -7.188 -6.456 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.628 -5.861 -7.517 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.614 -6.200 -8.146 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.309 -5.569 -8.007 1.00 0.00 C ATOM 1157 C ARG A 85 -11.465 -4.054 -7.939 1.00 0.00 C ATOM 1158 O ARG A 85 -12.436 -3.502 -8.458 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.385 -5.951 -9.165 1.00 0.00 C ATOM 1160 CG ARG A 85 -8.957 -5.459 -8.987 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.033 -5.991 -10.065 1.00 0.00 C ATOM 1162 NE ARG A 85 -6.634 -5.686 -9.770 1.00 0.00 N ATOM 1163 CZ ARG A 85 -5.611 -6.042 -10.545 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -5.820 -6.734 -11.659 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -4.373 -5.719 -10.195 1.00 0.00 N ATOM 0 H ARG A 85 -13.059 -6.061 -9.053 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.857 -5.925 -7.081 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.377 -7.036 -9.271 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -10.789 -5.543 -10.092 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -8.944 -4.369 -9.005 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.587 -5.766 -8.009 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.160 -7.070 -10.155 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -8.306 -5.557 -11.027 1.00 0.00 H new ATOM 0 HE ARG A 85 -6.428 -5.167 -8.916 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.769 -6.996 -11.926 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -5.032 -7.003 -12.248 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.206 -5.199 -9.334 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.588 -5.991 -10.787 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.507 -3.397 -7.296 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.526 -1.939 -7.141 1.00 0.00 C ATOM 1178 C GLN A 86 -9.161 -1.430 -6.672 1.00 0.00 C ATOM 1179 O GLN A 86 -8.185 -2.183 -6.664 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.619 -1.524 -6.150 1.00 0.00 C ATOM 1181 CG GLN A 86 -11.502 -2.189 -4.791 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.628 -1.800 -3.860 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -12.531 -0.826 -3.116 1.00 0.00 O ATOM 1184 NE2 GLN A 86 -13.709 -2.561 -3.889 1.00 0.00 N ATOM 0 H GLN A 86 -9.700 -3.851 -6.869 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.745 -1.492 -8.110 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.585 -0.443 -6.018 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -12.593 -1.762 -6.578 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -11.497 -3.272 -4.918 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -10.549 -1.917 -4.337 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.753 -3.361 -4.520 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.499 -2.348 -3.280 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.086 -0.156 -6.298 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.826 0.401 -5.842 1.00 0.00 C ATOM 1193 C GLY A 87 -7.984 1.399 -4.710 1.00 0.00 C ATOM 1194 O GLY A 87 -9.015 2.064 -4.592 1.00 0.00 O ATOM 0 H GLY A 87 -9.870 0.496 -6.302 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.176 -0.410 -5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.328 0.889 -6.680 1.00 0.00 H new ATOM 1198 N ILE A 88 -6.955 1.501 -3.878 1.00 0.00 N ATOM 1199 CA ILE A 88 -6.955 2.424 -2.753 1.00 0.00 C ATOM 1200 C ILE A 88 -5.755 3.358 -2.849 1.00 0.00 C ATOM 1201 O ILE A 88 -4.648 2.938 -3.200 1.00 0.00 O ATOM 1202 CB ILE A 88 -6.935 1.680 -1.391 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -6.961 2.680 -0.232 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.719 0.767 -1.284 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.014 2.024 1.129 1.00 0.00 C ATOM 0 H ILE A 88 -6.102 0.949 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.878 3.001 -2.801 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.829 1.059 -1.332 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.075 3.312 -0.288 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.826 3.333 -0.346 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.730 0.258 -0.320 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.747 0.028 -2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.809 1.361 -1.370 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.030 2.792 1.903 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -7.914 1.414 1.204 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.136 1.392 1.263 1.00 0.00 H new ATOM 1216 N ASP A 89 -5.983 4.629 -2.573 1.00 0.00 N ATOM 1217 CA ASP A 89 -4.916 5.612 -2.628 1.00 0.00 C ATOM 1218 C ASP A 89 -4.078 5.537 -1.354 1.00 0.00 C ATOM 1219 O ASP A 89 -4.611 5.388 -0.251 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.483 7.022 -2.828 1.00 0.00 C ATOM 1221 CG ASP A 89 -6.009 7.645 -1.549 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -7.183 7.400 -1.193 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -5.252 8.398 -0.902 1.00 0.00 O ATOM 0 H ASP A 89 -6.894 5.004 -2.309 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.276 5.389 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -4.705 7.663 -3.243 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -6.288 6.982 -3.562 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.767 5.624 -1.513 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.854 5.545 -0.380 1.00 0.00 C ATOM 1229 C LEU A 90 -1.281 6.909 -0.050 1.00 0.00 C ATOM 1230 O LEU A 90 -0.100 7.050 0.277 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.716 4.588 -0.685 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.135 3.232 -1.234 1.00 0.00 C ATOM 1233 CD1 LEU A 90 0.098 2.409 -1.510 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -2.061 2.514 -0.266 1.00 0.00 C ATOM 0 H LEU A 90 -2.309 5.749 -2.416 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.419 5.180 0.478 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.048 5.062 -1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.142 4.430 0.228 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.687 3.377 -2.163 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.195 1.436 -1.904 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.723 2.923 -2.241 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.659 2.273 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.345 1.548 -0.683 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.548 2.363 0.684 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.955 3.116 -0.103 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.134 7.903 -0.115 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.740 9.278 0.172 1.00 0.00 C ATOM 1247 C ASN A 91 -1.589 9.504 1.676 1.00 0.00 C ATOM 1248 O ASN A 91 -1.328 10.620 2.125 1.00 0.00 O ATOM 1249 CB ASN A 91 -2.747 10.269 -0.423 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.627 10.394 -1.935 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -1.876 11.225 -2.445 1.00 0.00 O ATOM 1252 ND2 ASN A 91 -3.381 9.584 -2.661 1.00 0.00 N ATOM 0 H ASN A 91 -3.116 7.792 -0.366 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.771 9.451 -0.295 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.758 9.950 -0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.598 11.249 0.031 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -3.352 9.636 -3.679 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -3.991 8.908 -2.202 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.760 8.434 2.446 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.646 8.494 3.901 1.00 0.00 C ATOM 1260 C ARG A 92 -0.263 8.061 4.375 1.00 0.00 C ATOM 1261 O ARG A 92 0.048 8.148 5.560 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.690 7.595 4.556 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.102 8.138 4.503 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.002 7.380 5.458 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.722 7.708 6.856 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.638 7.666 7.821 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.905 7.392 7.528 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.288 7.914 9.076 1.00 0.00 N ATOM 0 H ARG A 92 -1.980 7.506 2.083 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.810 9.532 4.191 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.670 6.620 4.069 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.413 7.436 5.598 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.100 9.197 4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.490 8.057 3.488 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.044 7.610 5.234 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.872 6.309 5.304 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.772 7.984 7.105 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.178 7.213 6.562 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.605 7.360 8.270 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.318 8.137 9.301 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.989 7.882 9.817 1.00 0.00 H new ATOM 1279 N ILE A 93 0.559 7.579 3.457 1.00 0.00 N ATOM 1280 CA ILE A 93 1.896 7.126 3.813 1.00 0.00 C ATOM 1281 C ILE A 93 2.906 8.224 3.493 1.00 0.00 C ATOM 1282 O ILE A 93 3.064 8.614 2.334 1.00 0.00 O ATOM 1283 CB ILE A 93 2.261 5.811 3.077 1.00 0.00 C ATOM 1284 CG1 ILE A 93 1.096 4.821 3.146 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.507 5.176 3.684 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.636 4.524 4.561 1.00 0.00 C ATOM 0 H ILE A 93 0.328 7.491 2.467 1.00 0.00 H new ATOM 0 HA ILE A 93 1.920 6.916 4.882 1.00 0.00 H new ATOM 0 HB ILE A 93 2.465 6.056 2.034 1.00 0.00 H new ATOM 0 HG12 ILE A 93 0.257 5.220 2.576 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.393 3.889 2.666 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.743 4.255 3.151 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.345 5.868 3.601 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.325 4.950 4.735 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.192 3.815 4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.461 4.096 5.130 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.307 5.447 5.038 1.00 0.00 H new ATOM 1297 N GLN A 94 3.567 8.734 4.524 1.00 0.00 N ATOM 1298 CA GLN A 94 4.531 9.814 4.358 1.00 0.00 C ATOM 1299 C GLN A 94 5.879 9.455 4.980 1.00 0.00 C ATOM 1300 O GLN A 94 5.949 8.789 6.009 1.00 0.00 O ATOM 1301 CB GLN A 94 3.986 11.095 5.006 1.00 0.00 C ATOM 1302 CG GLN A 94 4.863 12.331 4.819 1.00 0.00 C ATOM 1303 CD GLN A 94 4.762 12.933 3.429 1.00 0.00 C ATOM 1304 OE1 GLN A 94 3.898 13.766 3.167 1.00 0.00 O ATOM 1305 NE2 GLN A 94 5.663 12.551 2.537 1.00 0.00 N ATOM 0 H GLN A 94 3.453 8.416 5.486 1.00 0.00 H new ATOM 0 HA GLN A 94 4.683 9.975 3.291 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.998 11.302 4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.855 10.918 6.074 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.580 13.084 5.555 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.901 12.065 5.018 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.367 11.857 2.788 1.00 0.00 H new ATOM 0 HE22 GLN A 94 5.653 12.951 1.599 1.00 0.00 H new ATOM 1312 N ASN A 95 6.942 9.886 4.327 1.00 0.00 N ATOM 1313 CA ASN A 95 8.295 9.656 4.802 1.00 0.00 C ATOM 1314 C ASN A 95 8.788 10.861 5.603 1.00 0.00 C ATOM 1315 O ASN A 95 9.016 11.940 5.056 1.00 0.00 O ATOM 1316 CB ASN A 95 9.248 9.381 3.627 1.00 0.00 C ATOM 1317 CG ASN A 95 9.201 10.450 2.540 1.00 0.00 C ATOM 1318 OD1 ASN A 95 8.144 11.008 2.234 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.351 10.752 1.961 1.00 0.00 N ATOM 0 H ASN A 95 6.892 10.406 3.451 1.00 0.00 H new ATOM 0 HA ASN A 95 8.283 8.779 5.450 1.00 0.00 H new ATOM 0 HB2 ASN A 95 10.267 9.305 4.007 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.999 8.416 3.187 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.384 11.468 1.235 1.00 0.00 H new ATOM 0 HD22 ASN A 95 11.205 10.269 2.240 1.00 0.00 H new ATOM 1325 N VAL A 96 8.941 10.673 6.901 1.00 0.00 N ATOM 1326 CA VAL A 96 9.412 11.731 7.782 1.00 0.00 C ATOM 1327 C VAL A 96 10.910 11.580 8.010 1.00 0.00 C ATOM 1328 O VAL A 96 11.349 10.666 8.709 1.00 0.00 O ATOM 1329 CB VAL A 96 8.681 11.706 9.142 1.00 0.00 C ATOM 1330 CG1 VAL A 96 9.104 12.887 10.003 1.00 0.00 C ATOM 1331 CG2 VAL A 96 7.172 11.700 8.944 1.00 0.00 C ATOM 0 H VAL A 96 8.745 9.791 7.373 1.00 0.00 H new ATOM 0 HA VAL A 96 9.200 12.686 7.300 1.00 0.00 H new ATOM 0 HB VAL A 96 8.960 10.788 9.660 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.577 12.850 10.956 1.00 0.00 H new ATOM 0 HG12 VAL A 96 10.178 12.842 10.180 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.860 13.817 9.490 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.678 11.682 9.915 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.873 12.596 8.401 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.883 10.817 8.374 1.00 0.00 H new ATOM 1341 N ASN A 97 11.689 12.463 7.386 1.00 0.00 N ATOM 1342 CA ASN A 97 13.151 12.438 7.496 1.00 0.00 C ATOM 1343 C ASN A 97 13.716 11.093 7.058 1.00 0.00 C ATOM 1344 O ASN A 97 14.689 10.595 7.622 1.00 0.00 O ATOM 1345 CB ASN A 97 13.619 12.774 8.918 1.00 0.00 C ATOM 1346 CG ASN A 97 13.759 14.268 9.144 1.00 0.00 C ATOM 1347 OD1 ASN A 97 14.806 14.849 8.862 1.00 0.00 O ATOM 1348 ND2 ASN A 97 12.715 14.896 9.663 1.00 0.00 N ATOM 0 H ASN A 97 11.330 13.212 6.794 1.00 0.00 H new ATOM 0 HA ASN A 97 13.533 13.207 6.825 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.909 12.366 9.637 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.577 12.290 9.106 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.761 15.899 9.843 1.00 0.00 H new ATOM 0 HD22 ASN A 97 11.865 14.377 9.883 1.00 0.00 H new ATOM 1354 N GLY A 98 13.099 10.514 6.038 1.00 0.00 N ATOM 1355 CA GLY A 98 13.552 9.239 5.524 1.00 0.00 C ATOM 1356 C GLY A 98 12.789 8.056 6.090 1.00 0.00 C ATOM 1357 O GLY A 98 12.749 6.990 5.473 1.00 0.00 O ATOM 0 H GLY A 98 12.290 10.907 5.556 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.456 9.238 4.438 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.612 9.120 5.750 1.00 0.00 H new ATOM 1361 N ARG A 99 12.165 8.232 7.247 1.00 0.00 N ATOM 1362 CA ARG A 99 11.417 7.144 7.869 1.00 0.00 C ATOM 1363 C ARG A 99 10.000 7.105 7.327 1.00 0.00 C ATOM 1364 O ARG A 99 9.266 8.085 7.416 1.00 0.00 O ATOM 1365 CB ARG A 99 11.377 7.285 9.398 1.00 0.00 C ATOM 1366 CG ARG A 99 12.736 7.173 10.072 1.00 0.00 C ATOM 1367 CD ARG A 99 13.505 8.481 10.018 1.00 0.00 C ATOM 1368 NE ARG A 99 14.871 8.324 10.510 1.00 0.00 N ATOM 1369 CZ ARG A 99 15.460 9.156 11.366 1.00 0.00 C ATOM 1370 NH1 ARG A 99 14.794 10.189 11.871 1.00 0.00 N ATOM 1371 NH2 ARG A 99 16.714 8.944 11.733 1.00 0.00 N ATOM 0 H ARG A 99 12.160 9.107 7.770 1.00 0.00 H new ATOM 0 HA ARG A 99 11.930 6.213 7.626 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.937 8.250 9.651 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.718 6.518 9.805 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.602 6.873 11.111 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.318 6.389 9.587 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.528 8.848 8.992 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.987 9.233 10.614 1.00 0.00 H new ATOM 0 HE ARG A 99 15.409 7.524 10.176 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.823 10.350 11.603 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.254 10.821 12.526 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.226 8.145 11.360 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.168 9.580 12.389 1.00 0.00 H new ATOM 1382 N LEU A 100 9.617 5.974 6.766 1.00 0.00 N ATOM 1383 CA LEU A 100 8.287 5.826 6.213 1.00 0.00 C ATOM 1384 C LEU A 100 7.300 5.556 7.338 1.00 0.00 C ATOM 1385 O LEU A 100 7.377 4.524 8.000 1.00 0.00 O ATOM 1386 CB LEU A 100 8.259 4.690 5.194 1.00 0.00 C ATOM 1387 CG LEU A 100 7.196 4.831 4.110 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.440 6.092 3.306 1.00 0.00 C ATOM 1389 CD2 LEU A 100 7.189 3.610 3.199 1.00 0.00 C ATOM 0 H LEU A 100 10.207 5.147 6.682 1.00 0.00 H new ATOM 0 HA LEU A 100 8.005 6.747 5.703 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.237 4.623 4.718 1.00 0.00 H new ATOM 0 HB3 LEU A 100 8.097 3.750 5.722 1.00 0.00 H new ATOM 0 HG LEU A 100 6.219 4.902 4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.676 6.185 2.534 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.396 6.958 3.966 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.424 6.041 2.839 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.423 3.732 2.433 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.164 3.505 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.975 2.718 3.788 1.00 0.00 H new ATOM 1400 N VAL A 101 6.385 6.489 7.557 1.00 0.00 N ATOM 1401 CA VAL A 101 5.403 6.357 8.622 1.00 0.00 C ATOM 1402 C VAL A 101 3.989 6.566 8.087 1.00 0.00 C ATOM 1403 O VAL A 101 3.756 7.415 7.225 1.00 0.00 O ATOM 1404 CB VAL A 101 5.665 7.374 9.764 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.726 7.133 10.937 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.115 7.321 10.221 1.00 0.00 C ATOM 0 H VAL A 101 6.303 7.346 7.011 1.00 0.00 H new ATOM 0 HA VAL A 101 5.497 5.346 9.019 1.00 0.00 H new ATOM 0 HB VAL A 101 5.468 8.371 9.370 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.932 7.860 11.723 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.694 7.240 10.605 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.879 6.126 11.325 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.271 8.044 11.022 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.345 6.320 10.586 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.770 7.561 9.383 1.00 0.00 H new ATOM 1416 N PHE A 102 3.055 5.772 8.584 1.00 0.00 N ATOM 1417 CA PHE A 102 1.665 5.885 8.182 1.00 0.00 C ATOM 1418 C PHE A 102 0.979 6.967 8.999 1.00 0.00 C ATOM 1419 O PHE A 102 1.067 6.979 10.229 1.00 0.00 O ATOM 1420 CB PHE A 102 0.929 4.549 8.360 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.560 4.704 8.526 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.353 5.158 7.482 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.159 4.422 9.741 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.710 5.324 7.653 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.518 4.592 9.916 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.294 5.041 8.871 1.00 0.00 C ATOM 0 H PHE A 102 3.237 5.039 9.270 1.00 0.00 H new ATOM 0 HA PHE A 102 1.634 6.153 7.126 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.127 3.916 7.495 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.333 4.034 9.232 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.903 5.383 6.527 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.556 4.064 10.563 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.318 5.676 6.833 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -2.972 4.373 10.871 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.358 5.171 9.004 1.00 0.00 H new ATOM 1435 N GLN A 103 0.308 7.874 8.317 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.398 8.947 8.987 1.00 0.00 C ATOM 1437 C GLN A 103 -1.873 8.939 8.598 1.00 0.00 C ATOM 1438 O GLN A 103 -2.226 9.515 7.547 1.00 0.00 O ATOM 1439 CB GLN A 103 0.235 10.293 8.649 1.00 0.00 C ATOM 1440 CG GLN A 103 0.050 11.331 9.740 1.00 0.00 C ATOM 1441 CD GLN A 103 0.814 10.983 11.004 1.00 0.00 C ATOM 1442 OE1 GLN A 103 0.302 10.299 11.889 1.00 0.00 O ATOM 1443 NE2 GLN A 103 2.042 11.463 11.099 1.00 0.00 N ATOM 1444 OXT GLN A 103 -2.681 8.352 9.345 1.00 0.00 O ATOM 0 H GLN A 103 0.237 7.889 7.300 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.324 8.791 10.063 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.301 10.151 8.468 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.198 10.668 7.722 1.00 0.00 H new ATOM 0 HG2 GLN A 103 0.382 12.302 9.374 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -1.011 11.424 9.974 1.00 0.00 H new ATOM 0 HE21 GLN A 103 2.429 12.026 10.342 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.602 11.270 11.929 1.00 0.00 H new