USER MOD reduce.3.24.130724 H: found=0, std=0, add=775, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 773 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 13 ASN : amide:sc= -2.03! C(o=-2.3!,f=-8!) USER MOD Set 1.2: A 78 ASN : amide:sc= -0.252 K(o=-2.3,f=-7!) USER MOD Set 2.1: A 25 GLN : amide:sc= -0.513 K(o=-2.5,f=-1.4) USER MOD Set 2.2: A 77 GLN : amide:sc= -2.04! C(o=-2.5!,f=-10!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -166:sc= 0.975 USER MOD Single : A 14 SER OG : rot 64:sc= 0.941 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 19:sc= -0.747 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.334 K(o=-0.33,f=-2.9) USER MOD Single : A 46 ASN : amide:sc= 0.338 X(o=0.34,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 49 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.5) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.8) USER MOD Single : A 76 MET CE :methyl 179:sc= -6.28! (180deg=-6.45!) USER MOD Single : A 81 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.7!) USER MOD Single : A 91 TYR OH : rot 72:sc= -0.518! USER MOD Single : A 92 GLN : amide:sc= -0.64 K(o=-0.64,f=-7.6!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.351 -0.072 -26.702 1.00 0.00 N ATOM 2 CA GLY A 1 6.658 0.973 -27.437 1.00 0.00 C ATOM 3 C GLY A 1 5.416 1.444 -26.680 1.00 0.00 C ATOM 4 O GLY A 1 4.355 0.829 -26.776 1.00 0.00 O ATOM 0 H1 GLY A 1 8.190 -0.374 -27.237 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.645 0.293 -25.774 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.714 -0.883 -26.569 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.330 1.815 -27.599 1.00 0.00 H new ATOM 0 HA3 GLY A 1 6.370 0.601 -28.420 1.00 0.00 H new ATOM 8 N SER A 2 5.588 2.532 -25.943 1.00 0.00 N ATOM 9 CA SER A 2 4.494 3.093 -25.169 1.00 0.00 C ATOM 10 C SER A 2 4.637 4.614 -25.086 1.00 0.00 C ATOM 11 O SER A 2 5.744 5.129 -24.934 1.00 0.00 O ATOM 12 CB SER A 2 4.444 2.487 -23.765 1.00 0.00 C ATOM 13 OG SER A 2 3.295 1.665 -23.578 1.00 0.00 O ATOM 0 H SER A 2 6.469 3.040 -25.866 1.00 0.00 H new ATOM 0 HA SER A 2 3.559 2.850 -25.674 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.344 1.896 -23.593 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.441 3.287 -23.025 1.00 0.00 H new ATOM 0 HG SER A 2 3.301 1.296 -22.670 1.00 0.00 H new ATOM 19 N SER A 3 3.502 5.290 -25.189 1.00 0.00 N ATOM 20 CA SER A 3 3.488 6.741 -25.127 1.00 0.00 C ATOM 21 C SER A 3 2.135 7.229 -24.605 1.00 0.00 C ATOM 22 O SER A 3 1.163 6.476 -24.591 1.00 0.00 O ATOM 23 CB SER A 3 3.780 7.354 -26.499 1.00 0.00 C ATOM 24 OG SER A 3 3.029 6.726 -27.534 1.00 0.00 O ATOM 0 H SER A 3 2.586 4.859 -25.315 1.00 0.00 H new ATOM 0 HA SER A 3 4.272 7.062 -24.441 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.548 8.419 -26.477 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.844 7.264 -26.717 1.00 0.00 H new ATOM 0 HG SER A 3 3.242 7.146 -28.393 1.00 0.00 H new ATOM 30 N GLY A 4 2.116 8.487 -24.189 1.00 0.00 N ATOM 31 CA GLY A 4 0.898 9.085 -23.668 1.00 0.00 C ATOM 32 C GLY A 4 1.111 9.609 -22.246 1.00 0.00 C ATOM 33 O GLY A 4 1.584 8.880 -21.376 1.00 0.00 O ATOM 0 H GLY A 4 2.925 9.109 -24.202 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.583 9.902 -24.317 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.096 8.347 -23.671 1.00 0.00 H new ATOM 37 N SER A 5 0.750 10.870 -22.055 1.00 0.00 N ATOM 38 CA SER A 5 0.895 11.500 -20.754 1.00 0.00 C ATOM 39 C SER A 5 0.267 12.895 -20.775 1.00 0.00 C ATOM 40 O SER A 5 0.624 13.728 -21.607 1.00 0.00 O ATOM 41 CB SER A 5 2.367 11.587 -20.345 1.00 0.00 C ATOM 42 OG SER A 5 2.521 12.000 -18.990 1.00 0.00 O ATOM 0 H SER A 5 0.358 11.472 -22.779 1.00 0.00 H new ATOM 0 HA SER A 5 0.377 10.886 -20.017 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.840 10.615 -20.484 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.884 12.289 -20.999 1.00 0.00 H new ATOM 0 HG SER A 5 3.474 12.042 -18.767 1.00 0.00 H new ATOM 48 N SER A 6 -0.659 13.106 -19.851 1.00 0.00 N ATOM 49 CA SER A 6 -1.341 14.386 -19.754 1.00 0.00 C ATOM 50 C SER A 6 -2.400 14.332 -18.651 1.00 0.00 C ATOM 51 O SER A 6 -2.864 13.253 -18.283 1.00 0.00 O ATOM 52 CB SER A 6 -1.982 14.771 -21.088 1.00 0.00 C ATOM 53 OG SER A 6 -1.539 16.046 -21.545 1.00 0.00 O ATOM 0 H SER A 6 -0.953 12.413 -19.163 1.00 0.00 H new ATOM 0 HA SER A 6 -0.604 15.149 -19.503 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.744 14.015 -21.836 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.067 14.782 -20.979 1.00 0.00 H new ATOM 0 HG SER A 6 -1.970 16.255 -22.400 1.00 0.00 H new ATOM 59 N GLY A 7 -2.753 15.509 -18.155 1.00 0.00 N ATOM 60 CA GLY A 7 -3.749 15.609 -17.102 1.00 0.00 C ATOM 61 C GLY A 7 -3.531 16.866 -16.258 1.00 0.00 C ATOM 62 O GLY A 7 -2.832 17.787 -16.680 1.00 0.00 O ATOM 0 H GLY A 7 -2.367 16.401 -18.463 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.746 15.630 -17.541 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.700 14.726 -16.465 1.00 0.00 H new ATOM 66 N LYS A 8 -4.141 16.864 -15.083 1.00 0.00 N ATOM 67 CA LYS A 8 -4.022 17.994 -14.176 1.00 0.00 C ATOM 68 C LYS A 8 -2.579 18.090 -13.675 1.00 0.00 C ATOM 69 O LYS A 8 -1.876 17.084 -13.601 1.00 0.00 O ATOM 70 CB LYS A 8 -5.057 17.891 -13.054 1.00 0.00 C ATOM 71 CG LYS A 8 -4.723 16.739 -12.104 1.00 0.00 C ATOM 72 CD LYS A 8 -5.831 15.684 -12.111 1.00 0.00 C ATOM 73 CE LYS A 8 -6.982 16.092 -11.190 1.00 0.00 C ATOM 74 NZ LYS A 8 -8.162 15.229 -11.421 1.00 0.00 N ATOM 0 H LYS A 8 -4.719 16.098 -14.737 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.242 18.926 -14.697 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.090 18.828 -12.498 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.048 17.739 -13.481 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.779 16.282 -12.399 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -4.589 17.124 -11.093 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.203 15.549 -13.127 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.426 14.724 -11.790 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.667 16.016 -10.149 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.246 17.134 -11.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -8.934 15.520 -10.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.472 15.322 -12.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.911 14.238 -11.228 1.00 0.00 H new ATOM 88 N PRO A 9 -2.171 19.343 -13.336 1.00 0.00 N ATOM 89 CA PRO A 9 -0.825 19.584 -12.845 1.00 0.00 C ATOM 90 C PRO A 9 -0.676 19.107 -11.399 1.00 0.00 C ATOM 91 O PRO A 9 -1.107 19.787 -10.469 1.00 0.00 O ATOM 92 CB PRO A 9 -0.612 21.081 -13.001 1.00 0.00 C ATOM 93 CG PRO A 9 -1.999 21.688 -13.137 1.00 0.00 C ATOM 94 CD PRO A 9 -2.977 20.558 -13.412 1.00 0.00 C ATOM 0 HA PRO A 9 -0.069 19.027 -13.399 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -0.088 21.493 -12.138 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.002 21.299 -13.878 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.275 22.218 -12.225 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.019 22.416 -13.948 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -3.783 20.545 -12.679 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -3.440 20.665 -14.393 1.00 0.00 H new ATOM 102 N GLU A 10 -0.063 17.941 -11.255 1.00 0.00 N ATOM 103 CA GLU A 10 0.149 17.364 -9.938 1.00 0.00 C ATOM 104 C GLU A 10 1.001 16.098 -10.044 1.00 0.00 C ATOM 105 O GLU A 10 1.005 15.432 -11.078 1.00 0.00 O ATOM 106 CB GLU A 10 -1.185 17.071 -9.247 1.00 0.00 C ATOM 107 CG GLU A 10 -2.042 16.124 -10.089 1.00 0.00 C ATOM 108 CD GLU A 10 -3.050 15.374 -9.215 1.00 0.00 C ATOM 109 OE1 GLU A 10 -3.240 15.816 -8.061 1.00 0.00 O ATOM 110 OE2 GLU A 10 -3.607 14.376 -9.720 1.00 0.00 O ATOM 0 H GLU A 10 0.294 17.380 -12.029 1.00 0.00 H new ATOM 0 HA GLU A 10 0.686 18.089 -9.327 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.002 16.628 -8.268 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.724 18.003 -9.079 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.571 16.691 -10.856 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.401 15.410 -10.606 1.00 0.00 H new ATOM 117 N PRO A 11 1.722 15.797 -8.931 1.00 0.00 N ATOM 118 CA PRO A 11 2.577 14.622 -8.888 1.00 0.00 C ATOM 119 C PRO A 11 1.748 13.345 -8.739 1.00 0.00 C ATOM 120 O PRO A 11 1.677 12.770 -7.654 1.00 0.00 O ATOM 121 CB PRO A 11 3.516 14.861 -7.717 1.00 0.00 C ATOM 122 CG PRO A 11 2.855 15.933 -6.865 1.00 0.00 C ATOM 123 CD PRO A 11 1.743 16.562 -7.688 1.00 0.00 C ATOM 0 HA PRO A 11 3.140 14.478 -9.810 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.668 13.946 -7.145 1.00 0.00 H new ATOM 0 HB3 PRO A 11 4.497 15.187 -8.063 1.00 0.00 H new ATOM 0 HG2 PRO A 11 2.454 15.499 -5.949 1.00 0.00 H new ATOM 0 HG3 PRO A 11 3.583 16.687 -6.568 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.786 16.503 -7.170 1.00 0.00 H new ATOM 0 HD3 PRO A 11 1.939 17.618 -7.876 1.00 0.00 H new ATOM 131 N THR A 12 1.140 12.940 -9.845 1.00 0.00 N ATOM 132 CA THR A 12 0.319 11.742 -9.850 1.00 0.00 C ATOM 133 C THR A 12 0.453 11.010 -11.187 1.00 0.00 C ATOM 134 O THR A 12 1.506 11.054 -11.820 1.00 0.00 O ATOM 135 CB THR A 12 -1.119 12.152 -9.524 1.00 0.00 C ATOM 136 OG1 THR A 12 -1.533 12.901 -10.664 1.00 0.00 O ATOM 137 CG2 THR A 12 -1.193 13.156 -8.372 1.00 0.00 C ATOM 0 H THR A 12 1.200 13.420 -10.743 1.00 0.00 H new ATOM 0 HA THR A 12 0.650 11.033 -9.091 1.00 0.00 H new ATOM 0 HB THR A 12 -1.702 11.266 -9.272 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.357 13.388 -10.454 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.235 13.414 -8.181 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.758 12.714 -7.476 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.639 14.056 -8.638 1.00 0.00 H new ATOM 145 N ASN A 13 -0.630 10.353 -11.577 1.00 0.00 N ATOM 146 CA ASN A 13 -0.647 9.612 -12.827 1.00 0.00 C ATOM 147 C ASN A 13 -1.884 10.010 -13.634 1.00 0.00 C ATOM 148 O ASN A 13 -1.767 10.589 -14.713 1.00 0.00 O ATOM 149 CB ASN A 13 -0.712 8.105 -12.573 1.00 0.00 C ATOM 150 CG ASN A 13 0.468 7.641 -11.718 1.00 0.00 C ATOM 151 OD1 ASN A 13 1.232 8.431 -11.188 1.00 0.00 O ATOM 152 ND2 ASN A 13 0.575 6.319 -11.615 1.00 0.00 N ATOM 0 H ASN A 13 -1.502 10.319 -11.049 1.00 0.00 H new ATOM 0 HA ASN A 13 0.268 9.847 -13.371 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.648 7.857 -12.072 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.708 7.572 -13.524 1.00 0.00 H new ATOM 0 HD21 ASN A 13 1.331 5.910 -11.066 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.099 5.715 -12.085 1.00 0.00 H new ATOM 159 N SER A 14 -3.043 9.684 -13.080 1.00 0.00 N ATOM 160 CA SER A 14 -4.301 10.000 -13.734 1.00 0.00 C ATOM 161 C SER A 14 -5.458 9.316 -13.003 1.00 0.00 C ATOM 162 O SER A 14 -6.135 8.459 -13.570 1.00 0.00 O ATOM 163 CB SER A 14 -4.278 9.578 -15.205 1.00 0.00 C ATOM 164 OG SER A 14 -4.017 10.677 -16.072 1.00 0.00 O ATOM 0 H SER A 14 -3.137 9.204 -12.185 1.00 0.00 H new ATOM 0 HA SER A 14 -4.444 11.080 -13.696 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.516 8.813 -15.351 1.00 0.00 H new ATOM 0 HB3 SER A 14 -5.235 9.128 -15.468 1.00 0.00 H new ATOM 0 HG SER A 14 -3.122 11.032 -15.889 1.00 0.00 H new ATOM 170 N SER A 15 -5.649 9.719 -11.756 1.00 0.00 N ATOM 171 CA SER A 15 -6.712 9.156 -10.942 1.00 0.00 C ATOM 172 C SER A 15 -6.776 7.640 -11.141 1.00 0.00 C ATOM 173 O SER A 15 -7.715 7.130 -11.751 1.00 0.00 O ATOM 174 CB SER A 15 -8.061 9.793 -11.279 1.00 0.00 C ATOM 175 OG SER A 15 -8.080 11.188 -10.988 1.00 0.00 O ATOM 0 H SER A 15 -5.085 10.429 -11.289 1.00 0.00 H new ATOM 0 HA SER A 15 -6.492 9.370 -9.896 1.00 0.00 H new ATOM 0 HB2 SER A 15 -8.280 9.640 -12.336 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.849 9.294 -10.714 1.00 0.00 H new ATOM 0 HG SER A 15 -8.958 11.558 -11.219 1.00 0.00 H new ATOM 181 N VAL A 16 -5.767 6.963 -10.615 1.00 0.00 N ATOM 182 CA VAL A 16 -5.697 5.516 -10.728 1.00 0.00 C ATOM 183 C VAL A 16 -6.841 4.890 -9.926 1.00 0.00 C ATOM 184 O VAL A 16 -7.494 5.570 -9.136 1.00 0.00 O ATOM 185 CB VAL A 16 -4.318 5.022 -10.286 1.00 0.00 C ATOM 186 CG1 VAL A 16 -3.219 5.589 -11.187 1.00 0.00 C ATOM 187 CG2 VAL A 16 -4.056 5.367 -8.819 1.00 0.00 C ATOM 0 H VAL A 16 -4.991 7.389 -10.109 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.820 5.208 -11.766 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.304 3.936 -10.382 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.249 5.223 -10.852 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.391 5.271 -12.215 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.233 6.678 -11.137 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.069 5.005 -8.531 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.099 6.448 -8.686 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.813 4.894 -8.193 1.00 0.00 H new ATOM 197 N GLU A 17 -7.047 3.602 -10.158 1.00 0.00 N ATOM 198 CA GLU A 17 -8.101 2.878 -9.467 1.00 0.00 C ATOM 199 C GLU A 17 -7.543 2.194 -8.217 1.00 0.00 C ATOM 200 O GLU A 17 -6.411 1.711 -8.222 1.00 0.00 O ATOM 201 CB GLU A 17 -8.768 1.862 -10.396 1.00 0.00 C ATOM 202 CG GLU A 17 -9.663 0.903 -9.609 1.00 0.00 C ATOM 203 CD GLU A 17 -10.951 0.600 -10.376 1.00 0.00 C ATOM 204 OE1 GLU A 17 -10.849 0.424 -11.610 1.00 0.00 O ATOM 205 OE2 GLU A 17 -12.009 0.551 -9.713 1.00 0.00 O ATOM 0 H GLU A 17 -6.503 3.041 -10.814 1.00 0.00 H new ATOM 0 HA GLU A 17 -8.863 3.593 -9.157 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.361 2.385 -11.146 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.004 1.297 -10.930 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.125 -0.025 -9.414 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.907 1.340 -8.640 1.00 0.00 H new ATOM 212 N VAL A 18 -8.363 2.174 -7.177 1.00 0.00 N ATOM 213 CA VAL A 18 -7.965 1.557 -5.923 1.00 0.00 C ATOM 214 C VAL A 18 -8.744 0.254 -5.731 1.00 0.00 C ATOM 215 O VAL A 18 -9.956 0.215 -5.936 1.00 0.00 O ATOM 216 CB VAL A 18 -8.159 2.544 -4.769 1.00 0.00 C ATOM 217 CG1 VAL A 18 -8.066 1.833 -3.418 1.00 0.00 C ATOM 218 CG2 VAL A 18 -7.151 3.692 -4.856 1.00 0.00 C ATOM 0 H VAL A 18 -9.301 2.575 -7.177 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.905 1.303 -5.942 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.159 2.969 -4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.207 2.557 -2.615 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.839 1.067 -3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.085 1.368 -3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -7.310 4.379 -4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.138 3.292 -4.807 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -7.286 4.224 -5.798 1.00 0.00 H new ATOM 228 N SER A 19 -8.015 -0.782 -5.340 1.00 0.00 N ATOM 229 CA SER A 19 -8.623 -2.083 -5.119 1.00 0.00 C ATOM 230 C SER A 19 -9.221 -2.149 -3.712 1.00 0.00 C ATOM 231 O SER A 19 -8.726 -1.499 -2.792 1.00 0.00 O ATOM 232 CB SER A 19 -7.603 -3.207 -5.315 1.00 0.00 C ATOM 233 OG SER A 19 -7.948 -4.057 -6.406 1.00 0.00 O ATOM 0 H SER A 19 -7.010 -0.746 -5.171 1.00 0.00 H new ATOM 0 HA SER A 19 -9.419 -2.218 -5.852 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.617 -2.776 -5.489 1.00 0.00 H new ATOM 0 HB3 SER A 19 -7.535 -3.798 -4.402 1.00 0.00 H new ATOM 0 HG SER A 19 -7.272 -4.760 -6.499 1.00 0.00 H new ATOM 239 N PRO A 20 -10.305 -2.960 -3.586 1.00 0.00 N ATOM 240 CA PRO A 20 -10.976 -3.119 -2.307 1.00 0.00 C ATOM 241 C PRO A 20 -10.159 -4.007 -1.366 1.00 0.00 C ATOM 242 O PRO A 20 -10.462 -4.101 -0.177 1.00 0.00 O ATOM 243 CB PRO A 20 -12.336 -3.708 -2.647 1.00 0.00 C ATOM 244 CG PRO A 20 -12.202 -4.287 -4.046 1.00 0.00 C ATOM 245 CD PRO A 20 -10.918 -3.745 -4.654 1.00 0.00 C ATOM 0 HA PRO A 20 -11.087 -2.177 -1.770 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.618 -4.480 -1.930 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.112 -2.943 -2.614 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.176 -5.376 -4.008 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -13.061 -4.010 -4.658 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -10.262 -4.553 -4.979 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -11.123 -3.130 -5.530 1.00 0.00 H new ATOM 253 N ASP A 21 -9.139 -4.634 -1.933 1.00 0.00 N ATOM 254 CA ASP A 21 -8.277 -5.511 -1.159 1.00 0.00 C ATOM 255 C ASP A 21 -6.945 -4.805 -0.895 1.00 0.00 C ATOM 256 O ASP A 21 -5.990 -5.427 -0.432 1.00 0.00 O ATOM 257 CB ASP A 21 -7.983 -6.806 -1.919 1.00 0.00 C ATOM 258 CG ASP A 21 -9.170 -7.386 -2.691 1.00 0.00 C ATOM 259 OD1 ASP A 21 -10.250 -7.497 -2.072 1.00 0.00 O ATOM 260 OD2 ASP A 21 -8.970 -7.705 -3.883 1.00 0.00 O ATOM 0 H ASP A 21 -8.890 -4.552 -2.919 1.00 0.00 H new ATOM 0 HA ASP A 21 -8.788 -5.749 -0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.168 -6.622 -2.619 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.630 -7.554 -1.209 1.00 0.00 H new ATOM 265 N ILE A 22 -6.924 -3.516 -1.201 1.00 0.00 N ATOM 266 CA ILE A 22 -5.725 -2.720 -1.003 1.00 0.00 C ATOM 267 C ILE A 22 -5.100 -3.073 0.348 1.00 0.00 C ATOM 268 O ILE A 22 -3.883 -3.006 0.510 1.00 0.00 O ATOM 269 CB ILE A 22 -6.038 -1.231 -1.165 1.00 0.00 C ATOM 270 CG1 ILE A 22 -4.830 -0.372 -0.787 1.00 0.00 C ATOM 271 CG2 ILE A 22 -7.287 -0.844 -0.370 1.00 0.00 C ATOM 272 CD1 ILE A 22 -3.876 -0.216 -1.974 1.00 0.00 C ATOM 0 H ILE A 22 -7.718 -3.003 -1.584 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.984 -2.952 -1.768 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.253 -1.040 -2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.167 0.610 -0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.303 -0.828 0.051 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.487 0.219 -0.502 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.139 -1.421 -0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -7.125 -1.054 0.687 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.026 0.399 -1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -3.522 -1.198 -2.288 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.400 0.262 -2.801 1.00 0.00 H new ATOM 284 N TYR A 23 -5.963 -3.442 1.284 1.00 0.00 N ATOM 285 CA TYR A 23 -5.510 -3.806 2.616 1.00 0.00 C ATOM 286 C TYR A 23 -4.697 -5.102 2.584 1.00 0.00 C ATOM 287 O TYR A 23 -3.526 -5.113 2.959 1.00 0.00 O ATOM 288 CB TYR A 23 -6.777 -4.034 3.444 1.00 0.00 C ATOM 289 CG TYR A 23 -7.853 -2.965 3.242 1.00 0.00 C ATOM 290 CD1 TYR A 23 -7.785 -1.777 3.941 1.00 0.00 C ATOM 291 CD2 TYR A 23 -8.891 -3.188 2.361 1.00 0.00 C ATOM 292 CE1 TYR A 23 -8.797 -0.771 3.751 1.00 0.00 C ATOM 293 CE2 TYR A 23 -9.903 -2.182 2.170 1.00 0.00 C ATOM 294 CZ TYR A 23 -9.807 -1.023 2.875 1.00 0.00 C ATOM 295 OH TYR A 23 -10.763 -0.073 2.695 1.00 0.00 O ATOM 0 H TYR A 23 -6.972 -3.497 1.146 1.00 0.00 H new ATOM 0 HA TYR A 23 -4.873 -3.025 3.031 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -7.195 -5.008 3.189 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.508 -4.069 4.500 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.972 -1.602 4.631 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.944 -4.118 1.814 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.755 0.163 4.292 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.720 -2.344 1.482 1.00 0.00 H new ATOM 0 HH TYR A 23 -10.427 0.793 3.009 1.00 0.00 H new ATOM 305 N GLN A 24 -5.351 -6.162 2.132 1.00 0.00 N ATOM 306 CA GLN A 24 -4.703 -7.460 2.046 1.00 0.00 C ATOM 307 C GLN A 24 -3.421 -7.359 1.216 1.00 0.00 C ATOM 308 O GLN A 24 -2.433 -8.029 1.511 1.00 0.00 O ATOM 309 CB GLN A 24 -5.652 -8.509 1.464 1.00 0.00 C ATOM 310 CG GLN A 24 -5.044 -9.910 1.556 1.00 0.00 C ATOM 311 CD GLN A 24 -5.370 -10.563 2.901 1.00 0.00 C ATOM 312 OE1 GLN A 24 -4.615 -10.486 3.856 1.00 0.00 O ATOM 313 NE2 GLN A 24 -6.534 -11.206 2.921 1.00 0.00 N ATOM 0 H GLN A 24 -6.323 -6.149 1.822 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.436 -7.779 3.054 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.600 -8.484 2.001 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -5.869 -8.271 0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.426 -10.530 0.745 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.963 -9.850 1.429 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.117 -11.231 2.085 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -6.843 -11.674 3.773 1.00 0.00 H new ATOM 322 N GLN A 25 -3.480 -6.517 0.195 1.00 0.00 N ATOM 323 CA GLN A 25 -2.336 -6.320 -0.679 1.00 0.00 C ATOM 324 C GLN A 25 -1.134 -5.819 0.124 1.00 0.00 C ATOM 325 O GLN A 25 -0.019 -6.306 -0.052 1.00 0.00 O ATOM 326 CB GLN A 25 -2.676 -5.357 -1.817 1.00 0.00 C ATOM 327 CG GLN A 25 -3.629 -6.008 -2.821 1.00 0.00 C ATOM 328 CD GLN A 25 -3.331 -5.537 -4.246 1.00 0.00 C ATOM 329 OE1 GLN A 25 -2.793 -6.261 -5.068 1.00 0.00 O ATOM 330 NE2 GLN A 25 -3.708 -4.285 -4.492 1.00 0.00 N ATOM 0 H GLN A 25 -4.302 -5.963 -0.047 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.074 -7.279 -1.125 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.132 -4.454 -1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.761 -5.051 -2.325 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.535 -7.093 -2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.659 -5.763 -2.561 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.153 -3.733 -3.759 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.552 -3.877 -5.414 1.00 0.00 H new ATOM 339 N VAL A 26 -1.403 -4.851 0.988 1.00 0.00 N ATOM 340 CA VAL A 26 -0.357 -4.278 1.819 1.00 0.00 C ATOM 341 C VAL A 26 0.291 -5.386 2.651 1.00 0.00 C ATOM 342 O VAL A 26 1.473 -5.684 2.482 1.00 0.00 O ATOM 343 CB VAL A 26 -0.929 -3.145 2.673 1.00 0.00 C ATOM 344 CG1 VAL A 26 0.157 -2.515 3.547 1.00 0.00 C ATOM 345 CG2 VAL A 26 -1.611 -2.090 1.800 1.00 0.00 C ATOM 0 H VAL A 26 -2.330 -4.449 1.131 1.00 0.00 H new ATOM 0 HA VAL A 26 0.424 -3.837 1.200 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.684 -3.572 3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.276 -1.712 4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.577 -3.273 4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.945 -2.110 2.912 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.009 -1.296 2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.886 -1.670 1.103 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.425 -2.551 1.241 1.00 0.00 H new ATOM 355 N ARG A 27 -0.510 -5.966 3.533 1.00 0.00 N ATOM 356 CA ARG A 27 -0.029 -7.034 4.392 1.00 0.00 C ATOM 357 C ARG A 27 0.802 -8.032 3.584 1.00 0.00 C ATOM 358 O ARG A 27 1.892 -8.420 4.002 1.00 0.00 O ATOM 359 CB ARG A 27 -1.192 -7.772 5.058 1.00 0.00 C ATOM 360 CG ARG A 27 -2.059 -6.807 5.871 1.00 0.00 C ATOM 361 CD ARG A 27 -3.546 -7.104 5.668 1.00 0.00 C ATOM 362 NE ARG A 27 -4.203 -7.317 6.978 1.00 0.00 N ATOM 363 CZ ARG A 27 -3.943 -8.351 7.789 1.00 0.00 C ATOM 364 NH1 ARG A 27 -3.040 -9.274 7.430 1.00 0.00 N ATOM 365 NH2 ARG A 27 -4.587 -8.464 8.958 1.00 0.00 N ATOM 0 H ARG A 27 -1.489 -5.716 3.671 1.00 0.00 H new ATOM 0 HA ARG A 27 0.591 -6.582 5.166 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.801 -8.261 4.297 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.805 -8.556 5.709 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.809 -6.890 6.929 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.845 -5.781 5.573 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.022 -6.276 5.143 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.667 -7.989 5.043 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.897 -6.634 7.282 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.551 -9.189 6.539 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.842 -10.061 8.048 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.276 -7.763 9.231 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -4.389 -9.251 9.575 1.00 0.00 H new ATOM 379 N ASP A 28 0.256 -8.419 2.440 1.00 0.00 N ATOM 380 CA ASP A 28 0.934 -9.365 1.569 1.00 0.00 C ATOM 381 C ASP A 28 2.253 -8.755 1.090 1.00 0.00 C ATOM 382 O ASP A 28 3.259 -9.453 0.980 1.00 0.00 O ATOM 383 CB ASP A 28 0.085 -9.684 0.337 1.00 0.00 C ATOM 384 CG ASP A 28 -0.311 -11.154 0.188 1.00 0.00 C ATOM 385 OD1 ASP A 28 0.089 -11.942 1.071 1.00 0.00 O ATOM 386 OD2 ASP A 28 -1.005 -11.457 -0.807 1.00 0.00 O ATOM 0 H ASP A 28 -0.648 -8.095 2.096 1.00 0.00 H new ATOM 0 HA ASP A 28 1.108 -10.281 2.134 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.822 -9.081 0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.635 -9.379 -0.553 1.00 0.00 H new ATOM 391 N GLU A 29 2.204 -7.459 0.817 1.00 0.00 N ATOM 392 CA GLU A 29 3.383 -6.748 0.353 1.00 0.00 C ATOM 393 C GLU A 29 4.442 -6.697 1.456 1.00 0.00 C ATOM 394 O GLU A 29 5.616 -6.966 1.208 1.00 0.00 O ATOM 395 CB GLU A 29 3.021 -5.341 -0.126 1.00 0.00 C ATOM 396 CG GLU A 29 4.277 -4.540 -0.474 1.00 0.00 C ATOM 397 CD GLU A 29 5.180 -5.323 -1.430 1.00 0.00 C ATOM 398 OE1 GLU A 29 4.703 -5.618 -2.547 1.00 0.00 O ATOM 399 OE2 GLU A 29 6.326 -5.608 -1.021 1.00 0.00 O ATOM 0 H GLU A 29 1.367 -6.884 0.908 1.00 0.00 H new ATOM 0 HA GLU A 29 3.799 -7.290 -0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.373 -5.406 -1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.458 -4.822 0.650 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.993 -3.592 -0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.825 -4.303 0.438 1.00 0.00 H new ATOM 406 N LEU A 30 3.988 -6.349 2.651 1.00 0.00 N ATOM 407 CA LEU A 30 4.882 -6.259 3.794 1.00 0.00 C ATOM 408 C LEU A 30 5.483 -7.637 4.076 1.00 0.00 C ATOM 409 O LEU A 30 6.686 -7.759 4.302 1.00 0.00 O ATOM 410 CB LEU A 30 4.156 -5.647 4.994 1.00 0.00 C ATOM 411 CG LEU A 30 3.380 -4.357 4.723 1.00 0.00 C ATOM 412 CD1 LEU A 30 2.494 -3.989 5.915 1.00 0.00 C ATOM 413 CD2 LEU A 30 4.326 -3.218 4.338 1.00 0.00 C ATOM 0 H LEU A 30 3.013 -6.126 2.853 1.00 0.00 H new ATOM 0 HA LEU A 30 5.713 -5.588 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.462 -6.388 5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.890 -5.448 5.775 1.00 0.00 H new ATOM 0 HG LEU A 30 2.720 -4.528 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.953 -3.068 5.696 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.781 -4.793 6.101 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.115 -3.844 6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.748 -2.313 4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.029 -3.038 5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.876 -3.490 3.437 1.00 0.00 H new ATOM 425 N LYS A 31 4.618 -8.641 4.053 1.00 0.00 N ATOM 426 CA LYS A 31 5.048 -10.006 4.303 1.00 0.00 C ATOM 427 C LYS A 31 5.948 -10.470 3.157 1.00 0.00 C ATOM 428 O LYS A 31 6.583 -11.520 3.247 1.00 0.00 O ATOM 429 CB LYS A 31 3.840 -10.913 4.543 1.00 0.00 C ATOM 430 CG LYS A 31 4.282 -12.305 5.000 1.00 0.00 C ATOM 431 CD LYS A 31 3.791 -13.382 4.030 1.00 0.00 C ATOM 432 CE LYS A 31 2.388 -13.862 4.408 1.00 0.00 C ATOM 433 NZ LYS A 31 2.466 -15.014 5.333 1.00 0.00 N ATOM 0 H LYS A 31 3.621 -8.536 3.865 1.00 0.00 H new ATOM 0 HA LYS A 31 5.642 -10.058 5.216 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.191 -10.468 5.297 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.255 -10.996 3.627 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.369 -12.341 5.069 1.00 0.00 H new ATOM 0 HG3 LYS A 31 3.893 -12.505 5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.782 -12.985 3.015 1.00 0.00 H new ATOM 0 HD3 LYS A 31 4.482 -14.225 4.037 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.833 -13.049 4.876 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.840 -14.146 3.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.505 -15.327 5.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.977 -15.794 4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.970 -14.732 6.198 1.00 0.00 H new ATOM 447 N ARG A 32 5.975 -9.666 2.104 1.00 0.00 N ATOM 448 CA ARG A 32 6.787 -9.981 0.941 1.00 0.00 C ATOM 449 C ARG A 32 8.186 -9.380 1.092 1.00 0.00 C ATOM 450 O ARG A 32 9.186 -10.086 0.966 1.00 0.00 O ATOM 451 CB ARG A 32 6.145 -9.446 -0.340 1.00 0.00 C ATOM 452 CG ARG A 32 6.141 -10.512 -1.438 1.00 0.00 C ATOM 453 CD ARG A 32 6.251 -9.872 -2.824 1.00 0.00 C ATOM 454 NE ARG A 32 6.124 -10.910 -3.871 1.00 0.00 N ATOM 455 CZ ARG A 32 4.955 -11.391 -4.314 1.00 0.00 C ATOM 456 NH1 ARG A 32 3.804 -10.932 -3.802 1.00 0.00 N ATOM 457 NH2 ARG A 32 4.935 -12.332 -5.268 1.00 0.00 N ATOM 0 H ARG A 32 5.447 -8.796 2.032 1.00 0.00 H new ATOM 0 HA ARG A 32 6.860 -11.066 0.871 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.123 -9.128 -0.133 1.00 0.00 H new ATOM 0 HB3 ARG A 32 6.689 -8.567 -0.684 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.972 -11.201 -1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.225 -11.099 -1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 32 5.472 -9.120 -2.949 1.00 0.00 H new ATOM 0 HD3 ARG A 32 7.208 -9.359 -2.922 1.00 0.00 H new ATOM 0 HE ARG A 32 6.980 -11.283 -4.281 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.819 -10.217 -3.075 1.00 0.00 H new ATOM 0 HH12 ARG A 32 2.914 -11.298 -4.139 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.810 -12.682 -5.657 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.044 -12.698 -5.605 1.00 0.00 H new ATOM 471 N ALA A 33 8.213 -8.083 1.359 1.00 0.00 N ATOM 472 CA ALA A 33 9.473 -7.379 1.528 1.00 0.00 C ATOM 473 C ALA A 33 9.903 -7.458 2.994 1.00 0.00 C ATOM 474 O ALA A 33 10.975 -6.976 3.357 1.00 0.00 O ATOM 475 CB ALA A 33 9.321 -5.937 1.042 1.00 0.00 C ATOM 0 H ALA A 33 7.382 -7.501 1.463 1.00 0.00 H new ATOM 0 HA ALA A 33 10.256 -7.844 0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.266 -5.409 1.169 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.043 -5.936 -0.012 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.545 -5.437 1.622 1.00 0.00 H new ATOM 481 N SER A 34 9.046 -8.071 3.797 1.00 0.00 N ATOM 482 CA SER A 34 9.324 -8.219 5.216 1.00 0.00 C ATOM 483 C SER A 34 9.778 -6.881 5.803 1.00 0.00 C ATOM 484 O SER A 34 10.773 -6.821 6.524 1.00 0.00 O ATOM 485 CB SER A 34 10.386 -9.293 5.459 1.00 0.00 C ATOM 486 OG SER A 34 10.251 -9.897 6.743 1.00 0.00 O ATOM 0 H SER A 34 8.159 -8.471 3.492 1.00 0.00 H new ATOM 0 HA SER A 34 8.407 -8.534 5.714 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.309 -10.060 4.688 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.378 -8.849 5.370 1.00 0.00 H new ATOM 0 HG SER A 34 10.946 -10.578 6.859 1.00 0.00 H new ATOM 492 N VAL A 35 9.027 -5.841 5.472 1.00 0.00 N ATOM 493 CA VAL A 35 9.339 -4.508 5.958 1.00 0.00 C ATOM 494 C VAL A 35 8.373 -4.141 7.085 1.00 0.00 C ATOM 495 O VAL A 35 7.491 -4.925 7.432 1.00 0.00 O ATOM 496 CB VAL A 35 9.313 -3.509 4.799 1.00 0.00 C ATOM 497 CG1 VAL A 35 9.306 -4.233 3.451 1.00 0.00 C ATOM 498 CG2 VAL A 35 8.117 -2.562 4.918 1.00 0.00 C ATOM 0 H VAL A 35 8.203 -5.895 4.873 1.00 0.00 H new ATOM 0 HA VAL A 35 10.347 -4.479 6.372 1.00 0.00 H new ATOM 0 HB VAL A 35 10.222 -2.910 4.853 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.287 -3.500 2.644 1.00 0.00 H new ATOM 0 HG12 VAL A 35 10.202 -4.847 3.363 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.423 -4.869 3.384 1.00 0.00 H new ATOM 0 HG21 VAL A 35 8.122 -1.862 4.082 1.00 0.00 H new ATOM 0 HG22 VAL A 35 7.193 -3.139 4.902 1.00 0.00 H new ATOM 0 HG23 VAL A 35 8.183 -2.009 5.855 1.00 0.00 H new ATOM 508 N SER A 36 8.571 -2.948 7.627 1.00 0.00 N ATOM 509 CA SER A 36 7.728 -2.467 8.708 1.00 0.00 C ATOM 510 C SER A 36 6.630 -1.559 8.151 1.00 0.00 C ATOM 511 O SER A 36 6.893 -0.708 7.303 1.00 0.00 O ATOM 512 CB SER A 36 8.552 -1.720 9.759 1.00 0.00 C ATOM 513 OG SER A 36 8.808 -2.524 10.907 1.00 0.00 O ATOM 0 H SER A 36 9.304 -2.300 7.337 1.00 0.00 H new ATOM 0 HA SER A 36 7.268 -3.329 9.192 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.498 -1.403 9.320 1.00 0.00 H new ATOM 0 HB3 SER A 36 8.022 -0.816 10.060 1.00 0.00 H new ATOM 0 HG SER A 36 9.338 -2.012 11.553 1.00 0.00 H new ATOM 519 N GLN A 37 5.421 -1.772 8.651 1.00 0.00 N ATOM 520 CA GLN A 37 4.281 -0.983 8.214 1.00 0.00 C ATOM 521 C GLN A 37 4.681 0.485 8.056 1.00 0.00 C ATOM 522 O GLN A 37 4.168 1.182 7.182 1.00 0.00 O ATOM 523 CB GLN A 37 3.108 -1.131 9.185 1.00 0.00 C ATOM 524 CG GLN A 37 2.365 -2.447 8.950 1.00 0.00 C ATOM 525 CD GLN A 37 1.022 -2.457 9.683 1.00 0.00 C ATOM 526 OE1 GLN A 37 0.588 -1.468 10.250 1.00 0.00 O ATOM 527 NE2 GLN A 37 0.391 -3.627 9.641 1.00 0.00 N ATOM 0 H GLN A 37 5.206 -2.479 9.354 1.00 0.00 H new ATOM 0 HA GLN A 37 3.955 -1.357 7.243 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.474 -1.094 10.211 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.421 -0.294 9.061 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.201 -2.591 7.882 1.00 0.00 H new ATOM 0 HG3 GLN A 37 2.977 -3.281 9.294 1.00 0.00 H new ATOM 0 HE21 GLN A 37 0.811 -4.415 9.148 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.513 -3.736 10.101 1.00 0.00 H new ATOM 536 N ALA A 38 5.594 0.913 8.916 1.00 0.00 N ATOM 537 CA ALA A 38 6.069 2.286 8.884 1.00 0.00 C ATOM 538 C ALA A 38 6.863 2.515 7.596 1.00 0.00 C ATOM 539 O ALA A 38 6.463 3.313 6.750 1.00 0.00 O ATOM 540 CB ALA A 38 6.896 2.570 10.138 1.00 0.00 C ATOM 0 H ALA A 38 6.018 0.332 9.640 1.00 0.00 H new ATOM 0 HA ALA A 38 5.231 2.983 8.883 1.00 0.00 H new ATOM 0 HB1 ALA A 38 7.252 3.600 10.113 1.00 0.00 H new ATOM 0 HB2 ALA A 38 6.278 2.421 11.023 1.00 0.00 H new ATOM 0 HB3 ALA A 38 7.749 1.892 10.173 1.00 0.00 H new ATOM 546 N VAL A 39 7.975 1.802 7.490 1.00 0.00 N ATOM 547 CA VAL A 39 8.829 1.918 6.320 1.00 0.00 C ATOM 548 C VAL A 39 7.959 1.988 5.064 1.00 0.00 C ATOM 549 O VAL A 39 8.094 2.911 4.262 1.00 0.00 O ATOM 550 CB VAL A 39 9.833 0.764 6.289 1.00 0.00 C ATOM 551 CG1 VAL A 39 10.602 0.742 4.966 1.00 0.00 C ATOM 552 CG2 VAL A 39 10.792 0.839 7.479 1.00 0.00 C ATOM 0 H VAL A 39 8.304 1.142 8.195 1.00 0.00 H new ATOM 0 HA VAL A 39 9.413 2.838 6.362 1.00 0.00 H new ATOM 0 HB VAL A 39 9.274 -0.168 6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 39 11.309 -0.088 4.970 1.00 0.00 H new ATOM 0 HG12 VAL A 39 9.902 0.618 4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 39 11.144 1.680 4.845 1.00 0.00 H new ATOM 0 HG21 VAL A 39 11.495 0.007 7.433 1.00 0.00 H new ATOM 0 HG22 VAL A 39 11.341 1.780 7.445 1.00 0.00 H new ATOM 0 HG23 VAL A 39 10.224 0.783 8.408 1.00 0.00 H new ATOM 562 N PHE A 40 7.086 1.001 4.931 1.00 0.00 N ATOM 563 CA PHE A 40 6.195 0.939 3.785 1.00 0.00 C ATOM 564 C PHE A 40 5.311 2.186 3.710 1.00 0.00 C ATOM 565 O PHE A 40 5.308 2.888 2.700 1.00 0.00 O ATOM 566 CB PHE A 40 5.305 -0.291 3.977 1.00 0.00 C ATOM 567 CG PHE A 40 4.090 -0.331 3.048 1.00 0.00 C ATOM 568 CD1 PHE A 40 2.944 0.311 3.399 1.00 0.00 C ATOM 569 CD2 PHE A 40 4.157 -1.009 1.871 1.00 0.00 C ATOM 570 CE1 PHE A 40 1.817 0.274 2.537 1.00 0.00 C ATOM 571 CE2 PHE A 40 3.029 -1.047 1.008 1.00 0.00 C ATOM 572 CZ PHE A 40 1.883 -0.404 1.360 1.00 0.00 C ATOM 0 H PHE A 40 6.976 0.237 5.598 1.00 0.00 H new ATOM 0 HA PHE A 40 6.776 0.882 2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 40 5.903 -1.188 3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 40 4.960 -0.320 5.011 1.00 0.00 H new ATOM 0 HD1 PHE A 40 2.891 0.849 4.334 1.00 0.00 H new ATOM 0 HD2 PHE A 40 5.068 -1.518 1.592 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.907 0.784 2.816 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.081 -1.586 0.073 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.025 -0.432 0.704 1.00 0.00 H new ATOM 582 N ALA A 41 4.584 2.423 4.792 1.00 0.00 N ATOM 583 CA ALA A 41 3.698 3.573 4.861 1.00 0.00 C ATOM 584 C ALA A 41 4.482 4.836 4.500 1.00 0.00 C ATOM 585 O ALA A 41 3.913 5.798 3.985 1.00 0.00 O ATOM 586 CB ALA A 41 3.073 3.652 6.255 1.00 0.00 C ATOM 0 H ALA A 41 4.590 1.838 5.628 1.00 0.00 H new ATOM 0 HA ALA A 41 2.883 3.475 4.144 1.00 0.00 H new ATOM 0 HB1 ALA A 41 2.408 4.514 6.307 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.504 2.743 6.451 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.861 3.755 7.002 1.00 0.00 H new ATOM 592 N ARG A 42 5.775 4.794 4.785 1.00 0.00 N ATOM 593 CA ARG A 42 6.642 5.924 4.498 1.00 0.00 C ATOM 594 C ARG A 42 6.945 5.993 2.999 1.00 0.00 C ATOM 595 O ARG A 42 7.080 7.079 2.439 1.00 0.00 O ATOM 596 CB ARG A 42 7.957 5.820 5.272 1.00 0.00 C ATOM 597 CG ARG A 42 8.791 7.093 5.110 1.00 0.00 C ATOM 598 CD ARG A 42 7.920 8.342 5.260 1.00 0.00 C ATOM 599 NE ARG A 42 8.719 9.452 5.825 1.00 0.00 N ATOM 600 CZ ARG A 42 9.172 9.486 7.085 1.00 0.00 C ATOM 601 NH1 ARG A 42 8.907 8.472 7.920 1.00 0.00 N ATOM 602 NH2 ARG A 42 9.889 10.534 7.511 1.00 0.00 N ATOM 0 H ARG A 42 6.243 3.995 5.212 1.00 0.00 H new ATOM 0 HA ARG A 42 6.121 6.829 4.810 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.749 5.649 6.328 1.00 0.00 H new ATOM 0 HB3 ARG A 42 8.526 4.961 4.916 1.00 0.00 H new ATOM 0 HG2 ARG A 42 9.586 7.108 5.855 1.00 0.00 H new ATOM 0 HG3 ARG A 42 9.271 7.095 4.131 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.515 8.631 4.290 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.071 8.127 5.909 1.00 0.00 H new ATOM 0 HE ARG A 42 8.939 10.241 5.217 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.360 7.674 7.596 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.252 8.498 8.880 1.00 0.00 H new ATOM 0 HH21 ARG A 42 10.090 11.306 6.876 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.234 10.560 8.471 1.00 0.00 H new ATOM 616 N VAL A 43 7.042 4.818 2.393 1.00 0.00 N ATOM 617 CA VAL A 43 7.326 4.732 0.971 1.00 0.00 C ATOM 618 C VAL A 43 6.030 4.432 0.214 1.00 0.00 C ATOM 619 O VAL A 43 6.055 4.177 -0.989 1.00 0.00 O ATOM 620 CB VAL A 43 8.420 3.693 0.718 1.00 0.00 C ATOM 621 CG1 VAL A 43 9.626 3.934 1.629 1.00 0.00 C ATOM 622 CG2 VAL A 43 7.878 2.272 0.891 1.00 0.00 C ATOM 0 H VAL A 43 6.929 3.919 2.861 1.00 0.00 H new ATOM 0 HA VAL A 43 7.707 5.683 0.599 1.00 0.00 H new ATOM 0 HB VAL A 43 8.752 3.801 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.389 3.182 1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 43 10.035 4.926 1.437 1.00 0.00 H new ATOM 0 HG13 VAL A 43 9.314 3.866 2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.676 1.553 0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.505 2.146 1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.066 2.104 0.183 1.00 0.00 H new ATOM 632 N ALA A 44 4.930 4.472 0.950 1.00 0.00 N ATOM 633 CA ALA A 44 3.627 4.208 0.363 1.00 0.00 C ATOM 634 C ALA A 44 2.890 5.532 0.151 1.00 0.00 C ATOM 635 O ALA A 44 2.494 5.854 -0.969 1.00 0.00 O ATOM 636 CB ALA A 44 2.848 3.245 1.261 1.00 0.00 C ATOM 0 H ALA A 44 4.914 4.683 1.948 1.00 0.00 H new ATOM 0 HA ALA A 44 3.735 3.731 -0.611 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.871 3.047 0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.399 2.310 1.356 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.718 3.691 2.247 1.00 0.00 H new ATOM 642 N PHE A 45 2.728 6.265 1.243 1.00 0.00 N ATOM 643 CA PHE A 45 2.046 7.546 1.190 1.00 0.00 C ATOM 644 C PHE A 45 2.620 8.516 2.225 1.00 0.00 C ATOM 645 O PHE A 45 1.930 9.430 2.674 1.00 0.00 O ATOM 646 CB PHE A 45 0.574 7.284 1.516 1.00 0.00 C ATOM 647 CG PHE A 45 0.354 6.177 2.550 1.00 0.00 C ATOM 648 CD1 PHE A 45 0.590 4.880 2.218 1.00 0.00 C ATOM 649 CD2 PHE A 45 -0.077 6.491 3.801 1.00 0.00 C ATOM 650 CE1 PHE A 45 0.385 3.853 3.177 1.00 0.00 C ATOM 651 CE2 PHE A 45 -0.282 5.465 4.760 1.00 0.00 C ATOM 652 CZ PHE A 45 -0.046 4.167 4.428 1.00 0.00 C ATOM 0 H PHE A 45 3.058 5.996 2.170 1.00 0.00 H new ATOM 0 HA PHE A 45 2.171 7.993 0.204 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.124 8.206 1.884 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.050 7.019 0.598 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.933 4.631 1.225 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.263 7.522 4.065 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.571 2.823 2.913 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.625 5.715 5.753 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.201 3.386 5.158 1.00 0.00 H new ATOM 662 N ASN A 46 3.878 8.284 2.572 1.00 0.00 N ATOM 663 CA ASN A 46 4.552 9.126 3.546 1.00 0.00 C ATOM 664 C ASN A 46 3.735 9.159 4.839 1.00 0.00 C ATOM 665 O ASN A 46 3.223 10.208 5.227 1.00 0.00 O ATOM 666 CB ASN A 46 4.686 10.561 3.034 1.00 0.00 C ATOM 667 CG ASN A 46 5.877 11.267 3.686 1.00 0.00 C ATOM 668 OD1 ASN A 46 6.967 11.333 3.141 1.00 0.00 O ATOM 669 ND2 ASN A 46 5.609 11.789 4.879 1.00 0.00 N ATOM 0 H ASN A 46 4.448 7.526 2.196 1.00 0.00 H new ATOM 0 HA ASN A 46 5.545 8.711 3.720 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.811 10.554 1.951 1.00 0.00 H new ATOM 0 HB3 ASN A 46 3.771 11.113 3.246 1.00 0.00 H new ATOM 0 HD21 ASN A 46 6.338 12.281 5.396 1.00 0.00 H new ATOM 0 HD22 ASN A 46 4.675 11.697 5.277 1.00 0.00 H new ATOM 676 N ARG A 47 3.638 7.998 5.470 1.00 0.00 N ATOM 677 CA ARG A 47 2.892 7.881 6.711 1.00 0.00 C ATOM 678 C ARG A 47 3.628 6.963 7.689 1.00 0.00 C ATOM 679 O ARG A 47 4.665 6.394 7.351 1.00 0.00 O ATOM 680 CB ARG A 47 1.488 7.327 6.460 1.00 0.00 C ATOM 681 CG ARG A 47 0.460 8.456 6.375 1.00 0.00 C ATOM 682 CD ARG A 47 0.231 9.094 7.747 1.00 0.00 C ATOM 683 NE ARG A 47 -0.704 10.234 7.626 1.00 0.00 N ATOM 684 CZ ARG A 47 -0.885 11.162 8.576 1.00 0.00 C ATOM 685 NH1 ARG A 47 -0.195 11.090 9.722 1.00 0.00 N ATOM 686 NH2 ARG A 47 -1.755 12.162 8.379 1.00 0.00 N ATOM 0 H ARG A 47 4.064 7.130 5.145 1.00 0.00 H new ATOM 0 HA ARG A 47 2.805 8.879 7.140 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.480 6.753 5.534 1.00 0.00 H new ATOM 0 HB3 ARG A 47 1.215 6.641 7.262 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.804 9.213 5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.482 8.066 5.989 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.172 8.354 8.438 1.00 0.00 H new ATOM 0 HD3 ARG A 47 1.180 9.434 8.162 1.00 0.00 H new ATOM 0 HE ARG A 47 -1.245 10.319 6.765 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.468 10.329 9.871 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.332 11.796 10.445 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.280 12.217 7.506 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.893 12.868 9.102 1.00 0.00 H new ATOM 700 N THR A 48 3.063 6.847 8.882 1.00 0.00 N ATOM 701 CA THR A 48 3.652 6.007 9.910 1.00 0.00 C ATOM 702 C THR A 48 2.944 4.652 9.963 1.00 0.00 C ATOM 703 O THR A 48 2.064 4.375 9.150 1.00 0.00 O ATOM 704 CB THR A 48 3.598 6.773 11.234 1.00 0.00 C ATOM 705 OG1 THR A 48 2.225 7.128 11.374 1.00 0.00 O ATOM 706 CG2 THR A 48 4.325 8.117 11.162 1.00 0.00 C ATOM 0 H THR A 48 2.203 7.321 9.159 1.00 0.00 H new ATOM 0 HA THR A 48 4.696 5.784 9.688 1.00 0.00 H new ATOM 0 HB THR A 48 4.038 6.164 12.024 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.100 7.627 12.208 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.257 8.620 12.127 1.00 0.00 H new ATOM 0 HG22 THR A 48 5.373 7.951 10.913 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.864 8.739 10.395 1.00 0.00 H new ATOM 714 N GLN A 49 3.356 3.843 10.928 1.00 0.00 N ATOM 715 CA GLN A 49 2.772 2.523 11.098 1.00 0.00 C ATOM 716 C GLN A 49 1.483 2.614 11.917 1.00 0.00 C ATOM 717 O GLN A 49 0.472 2.012 11.559 1.00 0.00 O ATOM 718 CB GLN A 49 3.769 1.562 11.750 1.00 0.00 C ATOM 719 CG GLN A 49 3.063 0.307 12.267 1.00 0.00 C ATOM 720 CD GLN A 49 4.074 -0.786 12.618 1.00 0.00 C ATOM 721 OE1 GLN A 49 5.271 -0.644 12.428 1.00 0.00 O ATOM 722 NE2 GLN A 49 3.528 -1.880 13.141 1.00 0.00 N ATOM 0 H GLN A 49 4.087 4.076 11.600 1.00 0.00 H new ATOM 0 HA GLN A 49 2.526 2.127 10.113 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.535 1.281 11.027 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.277 2.063 12.574 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.470 0.555 13.148 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.371 -0.063 11.511 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.518 -1.933 13.273 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.119 -2.666 13.410 1.00 0.00 H new ATOM 731 N GLY A 50 1.560 3.372 13.001 1.00 0.00 N ATOM 732 CA GLY A 50 0.412 3.550 13.873 1.00 0.00 C ATOM 733 C GLY A 50 -0.838 3.909 13.068 1.00 0.00 C ATOM 734 O GLY A 50 -1.951 3.548 13.448 1.00 0.00 O ATOM 0 H GLY A 50 2.400 3.870 13.295 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.235 2.635 14.438 1.00 0.00 H new ATOM 0 HA3 GLY A 50 0.620 4.337 14.598 1.00 0.00 H new ATOM 738 N LEU A 51 -0.613 4.616 11.970 1.00 0.00 N ATOM 739 CA LEU A 51 -1.707 5.028 11.108 1.00 0.00 C ATOM 740 C LEU A 51 -2.109 3.859 10.207 1.00 0.00 C ATOM 741 O LEU A 51 -3.235 3.371 10.283 1.00 0.00 O ATOM 742 CB LEU A 51 -1.335 6.298 10.339 1.00 0.00 C ATOM 743 CG LEU A 51 -2.275 6.691 9.197 1.00 0.00 C ATOM 744 CD1 LEU A 51 -1.908 5.955 7.907 1.00 0.00 C ATOM 745 CD2 LEU A 51 -3.737 6.466 9.589 1.00 0.00 C ATOM 0 H LEU A 51 0.311 4.914 11.658 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.583 5.288 11.703 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.288 7.126 11.046 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.333 6.171 9.930 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.153 7.757 9.005 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.591 6.252 7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.887 6.208 7.622 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.984 4.880 8.067 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.384 6.753 8.760 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.893 5.413 9.823 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.977 7.072 10.463 1.00 0.00 H new ATOM 757 N LEU A 52 -1.166 3.444 9.374 1.00 0.00 N ATOM 758 CA LEU A 52 -1.408 2.341 8.459 1.00 0.00 C ATOM 759 C LEU A 52 -2.074 1.192 9.217 1.00 0.00 C ATOM 760 O LEU A 52 -2.870 0.446 8.648 1.00 0.00 O ATOM 761 CB LEU A 52 -0.113 1.941 7.749 1.00 0.00 C ATOM 762 CG LEU A 52 -0.127 0.583 7.044 1.00 0.00 C ATOM 763 CD1 LEU A 52 -0.991 0.629 5.782 1.00 0.00 C ATOM 764 CD2 LEU A 52 1.295 0.104 6.748 1.00 0.00 C ATOM 0 H LEU A 52 -0.233 3.852 9.313 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.097 2.644 7.670 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.126 2.708 7.012 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.694 1.940 8.481 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.579 -0.146 7.717 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.984 -0.349 5.300 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.014 0.894 6.051 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.592 1.375 5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.256 -0.863 6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.796 0.827 6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.848 0.007 7.682 1.00 0.00 H new ATOM 776 N SER A 53 -1.725 1.085 10.491 1.00 0.00 N ATOM 777 CA SER A 53 -2.280 0.039 11.333 1.00 0.00 C ATOM 778 C SER A 53 -3.787 0.242 11.496 1.00 0.00 C ATOM 779 O SER A 53 -4.568 -0.685 11.283 1.00 0.00 O ATOM 780 CB SER A 53 -1.597 0.014 12.702 1.00 0.00 C ATOM 781 OG SER A 53 -1.666 -1.273 13.311 1.00 0.00 O ATOM 0 H SER A 53 -1.065 1.705 10.960 1.00 0.00 H new ATOM 0 HA SER A 53 -2.100 -0.921 10.849 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.553 0.307 12.591 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.067 0.749 13.355 1.00 0.00 H new ATOM 0 HG SER A 53 -1.217 -1.247 14.182 1.00 0.00 H new ATOM 787 N GLU A 54 -4.151 1.459 11.871 1.00 0.00 N ATOM 788 CA GLU A 54 -5.551 1.795 12.064 1.00 0.00 C ATOM 789 C GLU A 54 -6.330 1.594 10.763 1.00 0.00 C ATOM 790 O GLU A 54 -7.536 1.354 10.787 1.00 0.00 O ATOM 791 CB GLU A 54 -5.705 3.228 12.579 1.00 0.00 C ATOM 792 CG GLU A 54 -5.964 4.200 11.427 1.00 0.00 C ATOM 793 CD GLU A 54 -5.694 5.644 11.856 1.00 0.00 C ATOM 794 OE1 GLU A 54 -4.646 5.857 12.503 1.00 0.00 O ATOM 795 OE2 GLU A 54 -6.543 6.501 11.529 1.00 0.00 O ATOM 0 H GLU A 54 -3.500 2.225 12.046 1.00 0.00 H new ATOM 0 HA GLU A 54 -5.964 1.126 12.819 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.528 3.276 13.292 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.803 3.525 13.114 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.328 3.944 10.580 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -6.996 4.104 11.091 1.00 0.00 H new ATOM 802 N ILE A 55 -5.609 1.700 9.656 1.00 0.00 N ATOM 803 CA ILE A 55 -6.217 1.533 8.347 1.00 0.00 C ATOM 804 C ILE A 55 -6.412 0.041 8.067 1.00 0.00 C ATOM 805 O ILE A 55 -7.451 -0.366 7.550 1.00 0.00 O ATOM 806 CB ILE A 55 -5.395 2.256 7.279 1.00 0.00 C ATOM 807 CG1 ILE A 55 -5.231 3.738 7.623 1.00 0.00 C ATOM 808 CG2 ILE A 55 -6.005 2.055 5.889 1.00 0.00 C ATOM 809 CD1 ILE A 55 -4.271 4.424 6.649 1.00 0.00 C ATOM 0 H ILE A 55 -4.609 1.900 9.639 1.00 0.00 H new ATOM 0 HA ILE A 55 -7.204 1.994 8.324 1.00 0.00 H new ATOM 0 HB ILE A 55 -4.397 1.817 7.261 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.202 4.232 7.591 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.856 3.839 8.641 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -5.402 2.579 5.148 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -6.028 0.991 5.652 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.020 2.451 5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.172 5.476 6.916 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.294 3.943 6.701 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.662 4.342 5.635 1.00 0.00 H new ATOM 821 N LEU A 56 -5.397 -0.733 8.422 1.00 0.00 N ATOM 822 CA LEU A 56 -5.444 -2.170 8.216 1.00 0.00 C ATOM 823 C LEU A 56 -6.369 -2.801 9.259 1.00 0.00 C ATOM 824 O LEU A 56 -6.747 -3.965 9.136 1.00 0.00 O ATOM 825 CB LEU A 56 -4.032 -2.758 8.211 1.00 0.00 C ATOM 826 CG LEU A 56 -3.074 -2.193 7.161 1.00 0.00 C ATOM 827 CD1 LEU A 56 -1.617 -2.376 7.592 1.00 0.00 C ATOM 828 CD2 LEU A 56 -3.345 -2.805 5.785 1.00 0.00 C ATOM 0 H LEU A 56 -4.537 -0.392 8.851 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.863 -2.400 7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.592 -2.603 9.196 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.109 -3.835 8.062 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.253 -1.121 7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.957 -1.966 6.828 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.448 -1.855 8.535 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -1.406 -3.438 7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.650 -2.386 5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -3.211 -3.886 5.835 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -4.367 -2.580 5.482 1.00 0.00 H new ATOM 840 N ARG A 57 -6.708 -2.004 10.262 1.00 0.00 N ATOM 841 CA ARG A 57 -7.582 -2.470 11.325 1.00 0.00 C ATOM 842 C ARG A 57 -9.042 -2.173 10.980 1.00 0.00 C ATOM 843 O ARG A 57 -9.898 -3.050 11.080 1.00 0.00 O ATOM 844 CB ARG A 57 -7.233 -1.802 12.657 1.00 0.00 C ATOM 845 CG ARG A 57 -6.048 -2.500 13.327 1.00 0.00 C ATOM 846 CD ARG A 57 -5.280 -1.532 14.229 1.00 0.00 C ATOM 847 NE ARG A 57 -5.575 -1.822 15.650 1.00 0.00 N ATOM 848 CZ ARG A 57 -5.178 -2.931 16.289 1.00 0.00 C ATOM 849 NH1 ARG A 57 -4.467 -3.861 15.637 1.00 0.00 N ATOM 850 NH2 ARG A 57 -5.492 -3.109 17.579 1.00 0.00 N ATOM 0 H ARG A 57 -6.393 -1.039 10.361 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.440 -3.546 11.423 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -6.994 -0.752 12.489 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.098 -1.830 13.320 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.405 -3.346 13.915 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.379 -2.901 12.565 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -4.209 -1.623 14.045 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.558 -0.505 13.994 1.00 0.00 H new ATOM 0 HE ARG A 57 -6.114 -1.134 16.176 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -4.228 -3.725 14.655 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.165 -4.705 16.123 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -6.033 -2.401 18.075 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -5.190 -3.953 18.066 1.00 0.00 H new ATOM 864 N LYS A 58 -9.283 -0.932 10.582 1.00 0.00 N ATOM 865 CA LYS A 58 -10.625 -0.509 10.222 1.00 0.00 C ATOM 866 C LYS A 58 -10.894 -0.869 8.759 1.00 0.00 C ATOM 867 O LYS A 58 -11.975 -1.349 8.423 1.00 0.00 O ATOM 868 CB LYS A 58 -10.820 0.976 10.535 1.00 0.00 C ATOM 869 CG LYS A 58 -10.661 1.246 12.033 1.00 0.00 C ATOM 870 CD LYS A 58 -10.029 2.618 12.278 1.00 0.00 C ATOM 871 CE LYS A 58 -9.591 2.766 13.737 1.00 0.00 C ATOM 872 NZ LYS A 58 -10.553 3.607 14.484 1.00 0.00 N ATOM 0 H LYS A 58 -8.571 -0.206 10.501 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.365 -1.038 10.822 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -10.095 1.567 9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -11.810 1.293 10.208 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.635 1.198 12.520 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.041 0.470 12.482 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -9.169 2.749 11.621 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.744 3.402 12.028 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.520 1.783 14.203 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.598 3.213 13.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -10.241 3.697 15.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -10.601 4.550 14.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.494 3.165 14.457 1.00 0.00 H new ATOM 886 N GLU A 59 -9.891 -0.623 7.929 1.00 0.00 N ATOM 887 CA GLU A 59 -10.006 -0.915 6.510 1.00 0.00 C ATOM 888 C GLU A 59 -11.081 -0.034 5.871 1.00 0.00 C ATOM 889 O GLU A 59 -11.912 -0.519 5.105 1.00 0.00 O ATOM 890 CB GLU A 59 -10.304 -2.398 6.278 1.00 0.00 C ATOM 891 CG GLU A 59 -9.048 -3.248 6.483 1.00 0.00 C ATOM 892 CD GLU A 59 -9.148 -4.568 5.715 1.00 0.00 C ATOM 893 OE1 GLU A 59 -9.522 -4.505 4.524 1.00 0.00 O ATOM 894 OE2 GLU A 59 -8.848 -5.610 6.337 1.00 0.00 O ATOM 0 H GLU A 59 -8.995 -0.225 8.212 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.051 -0.691 6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.086 -2.727 6.963 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.684 -2.542 5.267 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -8.171 -2.694 6.148 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.911 -3.451 7.545 1.00 0.00 H new ATOM 901 N GLU A 60 -11.031 1.246 6.211 1.00 0.00 N ATOM 902 CA GLU A 60 -11.990 2.199 5.681 1.00 0.00 C ATOM 903 C GLU A 60 -12.143 2.014 4.169 1.00 0.00 C ATOM 904 O GLU A 60 -11.265 2.403 3.401 1.00 0.00 O ATOM 905 CB GLU A 60 -11.581 3.634 6.018 1.00 0.00 C ATOM 906 CG GLU A 60 -12.520 4.240 7.063 1.00 0.00 C ATOM 907 CD GLU A 60 -12.944 5.655 6.664 1.00 0.00 C ATOM 908 OE1 GLU A 60 -12.140 6.580 6.911 1.00 0.00 O ATOM 909 OE2 GLU A 60 -14.063 5.780 6.122 1.00 0.00 O ATOM 0 H GLU A 60 -10.341 1.645 6.847 1.00 0.00 H new ATOM 0 HA GLU A 60 -12.956 2.011 6.150 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.558 3.646 6.393 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.596 4.242 5.114 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.402 3.610 7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.023 4.265 8.033 1.00 0.00 H new ATOM 916 N ASP A 61 -13.264 1.419 3.789 1.00 0.00 N ATOM 917 CA ASP A 61 -13.542 1.177 2.383 1.00 0.00 C ATOM 918 C ASP A 61 -13.155 2.415 1.571 1.00 0.00 C ATOM 919 O ASP A 61 -13.405 3.542 1.993 1.00 0.00 O ATOM 920 CB ASP A 61 -15.031 0.910 2.155 1.00 0.00 C ATOM 921 CG ASP A 61 -15.712 0.077 3.243 1.00 0.00 C ATOM 922 OD1 ASP A 61 -15.881 0.623 4.354 1.00 0.00 O ATOM 923 OD2 ASP A 61 -16.049 -1.088 2.938 1.00 0.00 O ATOM 0 H ASP A 61 -13.990 1.097 4.429 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.966 0.306 2.070 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.548 1.866 2.073 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.151 0.400 1.199 1.00 0.00 H new ATOM 928 N PRO A 62 -12.534 2.155 0.389 1.00 0.00 N ATOM 929 CA PRO A 62 -12.110 3.234 -0.487 1.00 0.00 C ATOM 930 C PRO A 62 -13.306 3.855 -1.211 1.00 0.00 C ATOM 931 O PRO A 62 -13.142 4.777 -2.008 1.00 0.00 O ATOM 932 CB PRO A 62 -11.105 2.599 -1.435 1.00 0.00 C ATOM 933 CG PRO A 62 -11.350 1.101 -1.359 1.00 0.00 C ATOM 934 CD PRO A 62 -12.222 0.832 -0.144 1.00 0.00 C ATOM 0 HA PRO A 62 -11.656 4.063 0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -11.242 2.966 -2.452 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.084 2.843 -1.142 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -11.840 0.748 -2.266 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.405 0.563 -1.277 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -13.128 0.292 -0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -11.698 0.222 0.592 1.00 0.00 H new ATOM 942 N ARG A 63 -14.481 3.324 -0.908 1.00 0.00 N ATOM 943 CA ARG A 63 -15.704 3.815 -1.520 1.00 0.00 C ATOM 944 C ARG A 63 -16.304 4.943 -0.678 1.00 0.00 C ATOM 945 O ARG A 63 -16.941 5.850 -1.212 1.00 0.00 O ATOM 946 CB ARG A 63 -16.735 2.694 -1.667 1.00 0.00 C ATOM 947 CG ARG A 63 -16.235 1.612 -2.626 1.00 0.00 C ATOM 948 CD ARG A 63 -16.614 1.942 -4.071 1.00 0.00 C ATOM 949 NE ARG A 63 -16.691 0.699 -4.872 1.00 0.00 N ATOM 950 CZ ARG A 63 -15.621 0.024 -5.314 1.00 0.00 C ATOM 951 NH1 ARG A 63 -14.387 0.467 -5.037 1.00 0.00 N ATOM 952 NH2 ARG A 63 -15.786 -1.094 -6.033 1.00 0.00 N ATOM 0 H ARG A 63 -14.612 2.559 -0.247 1.00 0.00 H new ATOM 0 HA ARG A 63 -15.450 4.192 -2.511 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -16.940 2.254 -0.691 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -17.675 3.105 -2.035 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -15.152 1.519 -2.542 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.660 0.648 -2.346 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.573 2.459 -4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -15.876 2.618 -4.504 1.00 0.00 H new ATOM 0 HE ARG A 63 -17.615 0.334 -5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -14.262 1.318 -4.489 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -13.573 -0.047 -5.374 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -16.725 -1.431 -6.244 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -14.972 -1.608 -6.370 1.00 0.00 H new ATOM 966 N THR A 64 -16.079 4.850 0.624 1.00 0.00 N ATOM 967 CA THR A 64 -16.589 5.851 1.545 1.00 0.00 C ATOM 968 C THR A 64 -15.434 6.619 2.191 1.00 0.00 C ATOM 969 O THR A 64 -15.610 7.752 2.638 1.00 0.00 O ATOM 970 CB THR A 64 -17.491 5.145 2.559 1.00 0.00 C ATOM 971 OG1 THR A 64 -16.620 4.236 3.225 1.00 0.00 O ATOM 972 CG2 THR A 64 -18.530 4.243 1.889 1.00 0.00 C ATOM 0 H THR A 64 -15.550 4.096 1.063 1.00 0.00 H new ATOM 0 HA THR A 64 -17.185 6.600 1.024 1.00 0.00 H new ATOM 0 HB THR A 64 -17.998 5.889 3.174 1.00 0.00 H new ATOM 0 HG1 THR A 64 -17.123 3.737 3.902 1.00 0.00 H new ATOM 0 HG21 THR A 64 -19.144 3.766 2.653 1.00 0.00 H new ATOM 0 HG22 THR A 64 -19.164 4.842 1.235 1.00 0.00 H new ATOM 0 HG23 THR A 64 -18.023 3.478 1.301 1.00 0.00 H new ATOM 980 N ALA A 65 -14.278 5.972 2.220 1.00 0.00 N ATOM 981 CA ALA A 65 -13.095 6.580 2.804 1.00 0.00 C ATOM 982 C ALA A 65 -13.046 8.060 2.422 1.00 0.00 C ATOM 983 O ALA A 65 -13.371 8.425 1.293 1.00 0.00 O ATOM 984 CB ALA A 65 -11.850 5.818 2.346 1.00 0.00 C ATOM 0 H ALA A 65 -14.136 5.033 1.848 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.131 6.522 3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.962 6.274 2.784 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.920 4.779 2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -11.779 5.857 1.259 1.00 0.00 H new ATOM 990 N SER A 66 -12.636 8.874 3.384 1.00 0.00 N ATOM 991 CA SER A 66 -12.540 10.307 3.162 1.00 0.00 C ATOM 992 C SER A 66 -11.349 10.617 2.254 1.00 0.00 C ATOM 993 O SER A 66 -10.394 9.845 2.191 1.00 0.00 O ATOM 994 CB SER A 66 -12.408 11.062 4.487 1.00 0.00 C ATOM 995 OG SER A 66 -13.618 11.724 4.847 1.00 0.00 O ATOM 0 H SER A 66 -12.366 8.568 4.319 1.00 0.00 H new ATOM 0 HA SER A 66 -13.457 10.640 2.675 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.128 10.364 5.276 1.00 0.00 H new ATOM 0 HB3 SER A 66 -11.604 11.794 4.409 1.00 0.00 H new ATOM 0 HG SER A 66 -13.494 12.193 5.699 1.00 0.00 H new ATOM 1001 N GLN A 67 -11.444 11.750 1.573 1.00 0.00 N ATOM 1002 CA GLN A 67 -10.387 12.171 0.670 1.00 0.00 C ATOM 1003 C GLN A 67 -9.021 12.009 1.341 1.00 0.00 C ATOM 1004 O GLN A 67 -8.099 11.448 0.751 1.00 0.00 O ATOM 1005 CB GLN A 67 -10.603 13.614 0.209 1.00 0.00 C ATOM 1006 CG GLN A 67 -10.904 13.671 -1.290 1.00 0.00 C ATOM 1007 CD GLN A 67 -10.867 15.112 -1.803 1.00 0.00 C ATOM 1008 OE1 GLN A 67 -11.870 15.805 -1.855 1.00 0.00 O ATOM 1009 NE2 GLN A 67 -9.659 15.523 -2.178 1.00 0.00 N ATOM 0 H GLN A 67 -12.237 12.389 1.629 1.00 0.00 H new ATOM 0 HA GLN A 67 -10.415 11.534 -0.214 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.428 14.058 0.766 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.715 14.206 0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -10.176 13.069 -1.834 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.885 13.237 -1.484 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.861 14.891 -2.108 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.530 16.470 -2.535 1.00 0.00 H new ATOM 1018 N SER A 68 -8.934 12.510 2.564 1.00 0.00 N ATOM 1019 CA SER A 68 -7.697 12.428 3.321 1.00 0.00 C ATOM 1020 C SER A 68 -7.135 11.007 3.251 1.00 0.00 C ATOM 1021 O SER A 68 -5.971 10.812 2.903 1.00 0.00 O ATOM 1022 CB SER A 68 -7.914 12.842 4.778 1.00 0.00 C ATOM 1023 OG SER A 68 -6.933 13.778 5.218 1.00 0.00 O ATOM 0 H SER A 68 -9.701 12.975 3.050 1.00 0.00 H new ATOM 0 HA SER A 68 -6.979 13.119 2.879 1.00 0.00 H new ATOM 0 HB2 SER A 68 -8.907 13.279 4.887 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.883 11.958 5.415 1.00 0.00 H new ATOM 0 HG SER A 68 -7.107 14.019 6.152 1.00 0.00 H new ATOM 1029 N LEU A 69 -7.987 10.050 3.587 1.00 0.00 N ATOM 1030 CA LEU A 69 -7.590 8.653 3.567 1.00 0.00 C ATOM 1031 C LEU A 69 -7.398 8.202 2.118 1.00 0.00 C ATOM 1032 O LEU A 69 -6.363 7.634 1.773 1.00 0.00 O ATOM 1033 CB LEU A 69 -8.592 7.800 4.349 1.00 0.00 C ATOM 1034 CG LEU A 69 -8.014 6.582 5.073 1.00 0.00 C ATOM 1035 CD1 LEU A 69 -9.043 5.973 6.028 1.00 0.00 C ATOM 1036 CD2 LEU A 69 -7.478 5.553 4.076 1.00 0.00 C ATOM 0 H LEU A 69 -8.952 10.215 3.875 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.633 8.522 4.071 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.084 8.436 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.363 7.456 3.659 1.00 0.00 H new ATOM 0 HG LEU A 69 -7.170 6.913 5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.607 5.109 6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.334 6.716 6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.922 5.660 5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.073 4.698 4.618 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.287 5.221 3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.691 6.006 3.473 1.00 0.00 H new ATOM 1048 N LEU A 70 -8.411 8.473 1.308 1.00 0.00 N ATOM 1049 CA LEU A 70 -8.367 8.102 -0.096 1.00 0.00 C ATOM 1050 C LEU A 70 -7.002 8.481 -0.676 1.00 0.00 C ATOM 1051 O LEU A 70 -6.387 7.692 -1.391 1.00 0.00 O ATOM 1052 CB LEU A 70 -9.547 8.718 -0.850 1.00 0.00 C ATOM 1053 CG LEU A 70 -10.736 7.789 -1.107 1.00 0.00 C ATOM 1054 CD1 LEU A 70 -11.940 8.573 -1.632 1.00 0.00 C ATOM 1055 CD2 LEU A 70 -10.345 6.644 -2.042 1.00 0.00 C ATOM 0 H LEU A 70 -9.267 8.945 1.598 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.474 7.023 -0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.901 9.582 -0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.186 9.088 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.032 7.342 -0.158 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.771 7.890 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.235 9.323 -0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.673 9.066 -2.567 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.208 5.999 -2.208 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.008 7.052 -2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.540 6.064 -1.590 1.00 0.00 H new ATOM 1067 N VAL A 71 -6.569 9.688 -0.345 1.00 0.00 N ATOM 1068 CA VAL A 71 -5.289 10.181 -0.824 1.00 0.00 C ATOM 1069 C VAL A 71 -4.206 9.139 -0.537 1.00 0.00 C ATOM 1070 O VAL A 71 -3.309 8.930 -1.352 1.00 0.00 O ATOM 1071 CB VAL A 71 -4.986 11.545 -0.199 1.00 0.00 C ATOM 1072 CG1 VAL A 71 -3.478 11.800 -0.145 1.00 0.00 C ATOM 1073 CG2 VAL A 71 -5.705 12.665 -0.954 1.00 0.00 C ATOM 0 H VAL A 71 -7.082 10.339 0.249 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.318 10.332 -1.903 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.361 11.536 0.824 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.290 12.776 0.303 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.999 11.026 0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.069 11.780 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -5.473 13.624 -0.490 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.374 12.675 -1.992 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -6.781 12.495 -0.918 1.00 0.00 H new ATOM 1083 N ASN A 72 -4.327 8.511 0.623 1.00 0.00 N ATOM 1084 CA ASN A 72 -3.370 7.495 1.028 1.00 0.00 C ATOM 1085 C ASN A 72 -3.662 6.196 0.274 1.00 0.00 C ATOM 1086 O ASN A 72 -2.768 5.613 -0.336 1.00 0.00 O ATOM 1087 CB ASN A 72 -3.474 7.206 2.526 1.00 0.00 C ATOM 1088 CG ASN A 72 -3.544 8.505 3.332 1.00 0.00 C ATOM 1089 OD1 ASN A 72 -3.084 9.553 2.910 1.00 0.00 O ATOM 1090 ND2 ASN A 72 -4.143 8.378 4.513 1.00 0.00 N ATOM 0 H ASN A 72 -5.073 8.686 1.296 1.00 0.00 H new ATOM 0 HA ASN A 72 -2.370 7.864 0.801 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -4.361 6.603 2.723 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -2.613 6.620 2.848 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.239 9.188 5.126 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -4.506 7.471 4.806 1.00 0.00 H new ATOM 1097 N LEU A 73 -4.919 5.780 0.342 1.00 0.00 N ATOM 1098 CA LEU A 73 -5.340 4.561 -0.326 1.00 0.00 C ATOM 1099 C LEU A 73 -4.889 4.603 -1.787 1.00 0.00 C ATOM 1100 O LEU A 73 -4.344 3.627 -2.301 1.00 0.00 O ATOM 1101 CB LEU A 73 -6.846 4.349 -0.154 1.00 0.00 C ATOM 1102 CG LEU A 73 -7.371 4.404 1.282 1.00 0.00 C ATOM 1103 CD1 LEU A 73 -8.891 4.238 1.317 1.00 0.00 C ATOM 1104 CD2 LEU A 73 -6.662 3.376 2.166 1.00 0.00 C ATOM 0 H LEU A 73 -5.659 6.266 0.849 1.00 0.00 H new ATOM 0 HA LEU A 73 -4.864 3.693 0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.369 5.105 -0.740 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.107 3.380 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.145 5.389 1.690 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.238 4.281 2.349 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.358 5.039 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.162 3.276 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.054 3.437 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.834 2.375 1.770 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -5.592 3.583 2.178 1.00 0.00 H new ATOM 1116 N ARG A 74 -5.132 5.744 -2.416 1.00 0.00 N ATOM 1117 CA ARG A 74 -4.757 5.926 -3.808 1.00 0.00 C ATOM 1118 C ARG A 74 -3.236 5.856 -3.962 1.00 0.00 C ATOM 1119 O ARG A 74 -2.731 5.254 -4.907 1.00 0.00 O ATOM 1120 CB ARG A 74 -5.256 7.270 -4.342 1.00 0.00 C ATOM 1121 CG ARG A 74 -6.732 7.190 -4.735 1.00 0.00 C ATOM 1122 CD ARG A 74 -7.278 8.572 -5.100 1.00 0.00 C ATOM 1123 NE ARG A 74 -8.319 8.445 -6.144 1.00 0.00 N ATOM 1124 CZ ARG A 74 -8.986 9.482 -6.670 1.00 0.00 C ATOM 1125 NH1 ARG A 74 -8.725 10.728 -6.252 1.00 0.00 N ATOM 1126 NH2 ARG A 74 -9.915 9.272 -7.613 1.00 0.00 N ATOM 0 H ARG A 74 -5.584 6.552 -1.987 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.221 5.125 -4.384 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.119 8.040 -3.583 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -4.661 7.565 -5.206 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -6.851 6.513 -5.581 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -7.310 6.773 -3.910 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.695 9.053 -4.215 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -6.469 9.209 -5.457 1.00 0.00 H new ATOM 0 HE ARG A 74 -8.543 7.510 -6.485 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -8.019 10.887 -5.534 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -9.233 11.517 -6.652 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -10.114 8.323 -7.930 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -10.423 10.061 -8.013 1.00 0.00 H new ATOM 1140 N ALA A 75 -2.549 6.482 -3.017 1.00 0.00 N ATOM 1141 CA ALA A 75 -1.096 6.499 -3.036 1.00 0.00 C ATOM 1142 C ALA A 75 -0.573 5.064 -2.951 1.00 0.00 C ATOM 1143 O ALA A 75 0.160 4.614 -3.831 1.00 0.00 O ATOM 1144 CB ALA A 75 -0.581 7.376 -1.893 1.00 0.00 C ATOM 0 H ALA A 75 -2.971 6.981 -2.234 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.729 6.929 -3.968 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.509 7.389 -1.907 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.958 8.392 -2.015 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.927 6.973 -0.941 1.00 0.00 H new ATOM 1150 N MET A 76 -0.969 4.385 -1.885 1.00 0.00 N ATOM 1151 CA MET A 76 -0.549 3.010 -1.674 1.00 0.00 C ATOM 1152 C MET A 76 -0.664 2.198 -2.966 1.00 0.00 C ATOM 1153 O MET A 76 0.322 1.635 -3.439 1.00 0.00 O ATOM 1154 CB MET A 76 -1.419 2.371 -0.590 1.00 0.00 C ATOM 1155 CG MET A 76 -1.086 2.945 0.789 1.00 0.00 C ATOM 1156 SD MET A 76 -2.126 2.194 2.030 1.00 0.00 S ATOM 1157 CE MET A 76 -3.224 3.558 2.380 1.00 0.00 C ATOM 0 H MET A 76 -1.577 4.761 -1.157 1.00 0.00 H new ATOM 0 HA MET A 76 0.495 3.012 -1.360 1.00 0.00 H new ATOM 0 HB2 MET A 76 -2.472 2.543 -0.815 1.00 0.00 H new ATOM 0 HB3 MET A 76 -1.266 1.292 -0.585 1.00 0.00 H new ATOM 0 HG2 MET A 76 -0.037 2.764 1.024 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.230 4.025 0.787 1.00 0.00 H new ATOM 0 HE1 MET A 76 -3.956 3.253 3.128 1.00 0.00 H new ATOM 0 HE2 MET A 76 -2.647 4.402 2.759 1.00 0.00 H new ATOM 0 HE3 MET A 76 -3.741 3.853 1.467 1.00 0.00 H new ATOM 1167 N GLN A 77 -1.876 2.162 -3.499 1.00 0.00 N ATOM 1168 CA GLN A 77 -2.133 1.428 -4.726 1.00 0.00 C ATOM 1169 C GLN A 77 -1.174 1.884 -5.828 1.00 0.00 C ATOM 1170 O GLN A 77 -0.837 1.110 -6.722 1.00 0.00 O ATOM 1171 CB GLN A 77 -3.590 1.587 -5.166 1.00 0.00 C ATOM 1172 CG GLN A 77 -3.877 0.758 -6.420 1.00 0.00 C ATOM 1173 CD GLN A 77 -4.695 -0.489 -6.077 1.00 0.00 C ATOM 1174 OE1 GLN A 77 -5.813 -0.673 -6.529 1.00 0.00 O ATOM 1175 NE2 GLN A 77 -4.076 -1.332 -5.255 1.00 0.00 N ATOM 0 H GLN A 77 -2.692 2.630 -3.103 1.00 0.00 H new ATOM 0 HA GLN A 77 -1.960 0.369 -4.536 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -4.253 1.275 -4.359 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -3.801 2.638 -5.364 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.419 1.365 -7.145 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.938 0.464 -6.889 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.139 -1.116 -4.914 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -4.538 -2.194 -4.966 1.00 0.00 H new ATOM 1184 N ASN A 78 -0.763 3.140 -5.728 1.00 0.00 N ATOM 1185 CA ASN A 78 0.150 3.708 -6.705 1.00 0.00 C ATOM 1186 C ASN A 78 1.558 3.165 -6.457 1.00 0.00 C ATOM 1187 O ASN A 78 2.310 2.925 -7.401 1.00 0.00 O ATOM 1188 CB ASN A 78 0.203 5.233 -6.586 1.00 0.00 C ATOM 1189 CG ASN A 78 -0.247 5.900 -7.887 1.00 0.00 C ATOM 1190 OD1 ASN A 78 -0.003 5.416 -8.980 1.00 0.00 O ATOM 1191 ND2 ASN A 78 -0.916 7.036 -7.709 1.00 0.00 N ATOM 0 H ASN A 78 -1.046 3.780 -4.986 1.00 0.00 H new ATOM 0 HA ASN A 78 -0.206 3.435 -7.699 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -0.436 5.560 -5.766 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.218 5.547 -6.344 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -1.259 7.558 -8.516 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.086 7.385 -6.766 1.00 0.00 H new ATOM 1198 N PHE A 79 1.874 2.987 -5.182 1.00 0.00 N ATOM 1199 CA PHE A 79 3.179 2.477 -4.799 1.00 0.00 C ATOM 1200 C PHE A 79 3.271 0.969 -5.042 1.00 0.00 C ATOM 1201 O PHE A 79 4.315 0.466 -5.454 1.00 0.00 O ATOM 1202 CB PHE A 79 3.344 2.751 -3.303 1.00 0.00 C ATOM 1203 CG PHE A 79 4.471 1.952 -2.644 1.00 0.00 C ATOM 1204 CD1 PHE A 79 5.759 2.371 -2.760 1.00 0.00 C ATOM 1205 CD2 PHE A 79 4.183 0.822 -1.943 1.00 0.00 C ATOM 1206 CE1 PHE A 79 6.805 1.629 -2.149 1.00 0.00 C ATOM 1207 CE2 PHE A 79 5.229 0.081 -1.332 1.00 0.00 C ATOM 1208 CZ PHE A 79 6.517 0.500 -1.448 1.00 0.00 C ATOM 0 H PHE A 79 1.248 3.187 -4.402 1.00 0.00 H new ATOM 0 HA PHE A 79 3.956 2.961 -5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.534 3.815 -3.158 1.00 0.00 H new ATOM 0 HB3 PHE A 79 2.406 2.522 -2.797 1.00 0.00 H new ATOM 0 HD1 PHE A 79 5.987 3.268 -3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 79 3.160 0.489 -1.851 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.828 1.961 -2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 79 5.001 -0.816 -0.775 1.00 0.00 H new ATOM 0 HZ PHE A 79 7.312 -0.064 -0.983 1.00 0.00 H new ATOM 1218 N LEU A 80 2.164 0.290 -4.778 1.00 0.00 N ATOM 1219 CA LEU A 80 2.107 -1.150 -4.963 1.00 0.00 C ATOM 1220 C LEU A 80 2.133 -1.468 -6.459 1.00 0.00 C ATOM 1221 O LEU A 80 2.312 -2.621 -6.849 1.00 0.00 O ATOM 1222 CB LEU A 80 0.899 -1.736 -4.230 1.00 0.00 C ATOM 1223 CG LEU A 80 0.872 -1.537 -2.713 1.00 0.00 C ATOM 1224 CD1 LEU A 80 -0.523 -1.809 -2.149 1.00 0.00 C ATOM 1225 CD2 LEU A 80 1.944 -2.389 -2.029 1.00 0.00 C ATOM 0 H LEU A 80 1.299 0.711 -4.437 1.00 0.00 H new ATOM 0 HA LEU A 80 2.981 -1.627 -4.520 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.005 -1.295 -4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.858 -2.805 -4.437 1.00 0.00 H new ATOM 0 HG LEU A 80 1.106 -0.494 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.514 -1.660 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.239 -1.125 -2.604 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.811 -2.836 -2.371 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.903 -2.229 -0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.765 -3.442 -2.246 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.928 -2.104 -2.401 1.00 0.00 H new ATOM 1237 N ASN A 81 1.953 -0.426 -7.257 1.00 0.00 N ATOM 1238 CA ASN A 81 1.953 -0.581 -8.702 1.00 0.00 C ATOM 1239 C ASN A 81 3.396 -0.560 -9.212 1.00 0.00 C ATOM 1240 O ASN A 81 3.668 -0.988 -10.332 1.00 0.00 O ATOM 1241 CB ASN A 81 1.196 0.563 -9.378 1.00 0.00 C ATOM 1242 CG ASN A 81 -0.313 0.311 -9.357 1.00 0.00 C ATOM 1243 OD1 ASN A 81 -0.779 -0.810 -9.234 1.00 0.00 O ATOM 1244 ND2 ASN A 81 -1.048 1.412 -9.482 1.00 0.00 N ATOM 0 H ASN A 81 1.806 0.529 -6.930 1.00 0.00 H new ATOM 0 HA ASN A 81 1.466 -1.526 -8.940 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.419 1.501 -8.870 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.536 0.670 -10.408 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.066 1.349 -9.479 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.594 2.320 -9.581 1.00 0.00 H new ATOM 1251 N LEU A 82 4.282 -0.057 -8.365 1.00 0.00 N ATOM 1252 CA LEU A 82 5.689 0.025 -8.716 1.00 0.00 C ATOM 1253 C LEU A 82 6.249 -1.388 -8.895 1.00 0.00 C ATOM 1254 O LEU A 82 5.660 -2.358 -8.422 1.00 0.00 O ATOM 1255 CB LEU A 82 6.451 0.862 -7.686 1.00 0.00 C ATOM 1256 CG LEU A 82 6.343 2.380 -7.844 1.00 0.00 C ATOM 1257 CD1 LEU A 82 7.177 3.102 -6.783 1.00 0.00 C ATOM 1258 CD2 LEU A 82 6.722 2.812 -9.262 1.00 0.00 C ATOM 0 H LEU A 82 4.052 0.298 -7.437 1.00 0.00 H new ATOM 0 HA LEU A 82 5.814 0.541 -9.668 1.00 0.00 H new ATOM 0 HB2 LEU A 82 6.093 0.594 -6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.505 0.586 -7.730 1.00 0.00 H new ATOM 0 HG LEU A 82 5.303 2.667 -7.687 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.083 4.180 -6.917 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.820 2.828 -5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.223 2.814 -6.884 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.637 3.895 -9.347 1.00 0.00 H new ATOM 0 HD22 LEU A 82 7.748 2.511 -9.472 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.051 2.338 -9.978 1.00 0.00 H new ATOM 1270 N PRO A 83 7.411 -1.460 -9.599 1.00 0.00 N ATOM 1271 CA PRO A 83 8.057 -2.738 -9.846 1.00 0.00 C ATOM 1272 C PRO A 83 8.749 -3.257 -8.584 1.00 0.00 C ATOM 1273 O PRO A 83 9.337 -2.482 -7.831 1.00 0.00 O ATOM 1274 CB PRO A 83 9.025 -2.474 -10.988 1.00 0.00 C ATOM 1275 CG PRO A 83 9.224 -0.968 -11.027 1.00 0.00 C ATOM 1276 CD PRO A 83 8.138 -0.333 -10.174 1.00 0.00 C ATOM 0 HA PRO A 83 7.349 -3.522 -10.114 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.972 -2.989 -10.824 1.00 0.00 H new ATOM 0 HB3 PRO A 83 8.623 -2.839 -11.933 1.00 0.00 H new ATOM 0 HG2 PRO A 83 10.211 -0.703 -10.648 1.00 0.00 H new ATOM 0 HG3 PRO A 83 9.168 -0.602 -12.052 1.00 0.00 H new ATOM 0 HD2 PRO A 83 8.565 0.301 -9.397 1.00 0.00 H new ATOM 0 HD3 PRO A 83 7.481 0.297 -10.774 1.00 0.00 H new ATOM 1284 N GLU A 84 8.655 -4.564 -8.391 1.00 0.00 N ATOM 1285 CA GLU A 84 9.265 -5.196 -7.233 1.00 0.00 C ATOM 1286 C GLU A 84 10.665 -4.628 -6.995 1.00 0.00 C ATOM 1287 O GLU A 84 11.052 -4.377 -5.855 1.00 0.00 O ATOM 1288 CB GLU A 84 9.309 -6.716 -7.398 1.00 0.00 C ATOM 1289 CG GLU A 84 9.834 -7.390 -6.128 1.00 0.00 C ATOM 1290 CD GLU A 84 9.404 -8.857 -6.068 1.00 0.00 C ATOM 1291 OE1 GLU A 84 8.199 -9.105 -6.286 1.00 0.00 O ATOM 1292 OE2 GLU A 84 10.292 -9.698 -5.807 1.00 0.00 O ATOM 0 H GLU A 84 8.165 -5.203 -9.017 1.00 0.00 H new ATOM 0 HA GLU A 84 8.653 -4.977 -6.358 1.00 0.00 H new ATOM 0 HB2 GLU A 84 8.311 -7.090 -7.626 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.948 -6.976 -8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.922 -7.325 -6.100 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.461 -6.862 -5.251 1.00 0.00 H new ATOM 1299 N VAL A 85 11.388 -4.443 -8.090 1.00 0.00 N ATOM 1300 CA VAL A 85 12.738 -3.910 -8.015 1.00 0.00 C ATOM 1301 C VAL A 85 12.715 -2.580 -7.260 1.00 0.00 C ATOM 1302 O VAL A 85 13.598 -2.306 -6.449 1.00 0.00 O ATOM 1303 CB VAL A 85 13.332 -3.791 -9.419 1.00 0.00 C ATOM 1304 CG1 VAL A 85 12.896 -4.962 -10.301 1.00 0.00 C ATOM 1305 CG2 VAL A 85 12.959 -2.453 -10.061 1.00 0.00 C ATOM 0 H VAL A 85 11.064 -4.653 -9.034 1.00 0.00 H new ATOM 0 HA VAL A 85 13.386 -4.588 -7.459 1.00 0.00 H new ATOM 0 HB VAL A 85 14.417 -3.828 -9.327 1.00 0.00 H new ATOM 0 HG11 VAL A 85 13.333 -4.852 -11.294 1.00 0.00 H new ATOM 0 HG12 VAL A 85 13.235 -5.898 -9.857 1.00 0.00 H new ATOM 0 HG13 VAL A 85 11.809 -4.972 -10.382 1.00 0.00 H new ATOM 0 HG21 VAL A 85 13.394 -2.394 -11.059 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.874 -2.374 -10.133 1.00 0.00 H new ATOM 0 HG23 VAL A 85 13.343 -1.636 -9.449 1.00 0.00 H new ATOM 1315 N GLU A 86 11.694 -1.787 -7.553 1.00 0.00 N ATOM 1316 CA GLU A 86 11.544 -0.492 -6.912 1.00 0.00 C ATOM 1317 C GLU A 86 11.231 -0.668 -5.425 1.00 0.00 C ATOM 1318 O GLU A 86 11.987 -0.211 -4.569 1.00 0.00 O ATOM 1319 CB GLU A 86 10.464 0.341 -7.605 1.00 0.00 C ATOM 1320 CG GLU A 86 11.053 1.151 -8.762 1.00 0.00 C ATOM 1321 CD GLU A 86 10.041 2.170 -9.289 1.00 0.00 C ATOM 1322 OE1 GLU A 86 9.708 3.092 -8.514 1.00 0.00 O ATOM 1323 OE2 GLU A 86 9.624 2.004 -10.455 1.00 0.00 O ATOM 0 H GLU A 86 10.963 -2.017 -8.226 1.00 0.00 H new ATOM 0 HA GLU A 86 12.487 0.048 -7.003 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.678 -0.315 -7.979 1.00 0.00 H new ATOM 0 HB3 GLU A 86 10.001 1.014 -6.884 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.953 1.667 -8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.350 0.479 -9.567 1.00 0.00 H new ATOM 1330 N ARG A 87 10.115 -1.333 -5.163 1.00 0.00 N ATOM 1331 CA ARG A 87 9.693 -1.576 -3.794 1.00 0.00 C ATOM 1332 C ARG A 87 10.803 -2.281 -3.013 1.00 0.00 C ATOM 1333 O ARG A 87 11.071 -1.939 -1.862 1.00 0.00 O ATOM 1334 CB ARG A 87 8.426 -2.432 -3.752 1.00 0.00 C ATOM 1335 CG ARG A 87 7.374 -1.904 -4.729 1.00 0.00 C ATOM 1336 CD ARG A 87 5.985 -2.444 -4.384 1.00 0.00 C ATOM 1337 NE ARG A 87 5.725 -3.690 -5.140 1.00 0.00 N ATOM 1338 CZ ARG A 87 6.157 -4.901 -4.763 1.00 0.00 C ATOM 1339 NH1 ARG A 87 6.874 -5.037 -3.639 1.00 0.00 N ATOM 1340 NH2 ARG A 87 5.874 -5.976 -5.511 1.00 0.00 N ATOM 0 H ARG A 87 9.490 -1.711 -5.875 1.00 0.00 H new ATOM 0 HA ARG A 87 9.480 -0.610 -3.337 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.672 -3.464 -4.000 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.019 -2.436 -2.741 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.362 -0.814 -4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 87 7.639 -2.194 -5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.916 -2.637 -3.313 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.226 -1.699 -4.623 1.00 0.00 H new ATOM 0 HE ARG A 87 5.183 -3.622 -6.002 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.091 -4.219 -3.070 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.203 -5.959 -3.352 1.00 0.00 H new ATOM 0 HH21 ARG A 87 5.330 -5.872 -6.367 1.00 0.00 H new ATOM 0 HH22 ARG A 87 6.203 -6.898 -5.224 1.00 0.00 H new ATOM 1354 N ASP A 88 11.420 -3.252 -3.670 1.00 0.00 N ATOM 1355 CA ASP A 88 12.495 -4.009 -3.052 1.00 0.00 C ATOM 1356 C ASP A 88 13.602 -3.048 -2.613 1.00 0.00 C ATOM 1357 O ASP A 88 14.052 -3.094 -1.469 1.00 0.00 O ATOM 1358 CB ASP A 88 13.102 -5.010 -4.037 1.00 0.00 C ATOM 1359 CG ASP A 88 14.288 -5.811 -3.496 1.00 0.00 C ATOM 1360 OD1 ASP A 88 15.019 -5.245 -2.656 1.00 0.00 O ATOM 1361 OD2 ASP A 88 14.436 -6.972 -3.936 1.00 0.00 O ATOM 0 H ASP A 88 11.196 -3.532 -4.625 1.00 0.00 H new ATOM 0 HA ASP A 88 12.081 -4.548 -2.200 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.324 -5.707 -4.349 1.00 0.00 H new ATOM 0 HB3 ASP A 88 13.423 -4.471 -4.928 1.00 0.00 H new ATOM 1366 N ARG A 89 14.009 -2.199 -3.545 1.00 0.00 N ATOM 1367 CA ARG A 89 15.055 -1.229 -3.269 1.00 0.00 C ATOM 1368 C ARG A 89 14.548 -0.168 -2.290 1.00 0.00 C ATOM 1369 O ARG A 89 15.222 0.150 -1.310 1.00 0.00 O ATOM 1370 CB ARG A 89 15.524 -0.544 -4.554 1.00 0.00 C ATOM 1371 CG ARG A 89 17.020 -0.771 -4.781 1.00 0.00 C ATOM 1372 CD ARG A 89 17.316 -1.042 -6.258 1.00 0.00 C ATOM 1373 NE ARG A 89 18.707 -1.519 -6.416 1.00 0.00 N ATOM 1374 CZ ARG A 89 19.404 -1.438 -7.557 1.00 0.00 C ATOM 1375 NH1 ARG A 89 18.843 -0.898 -8.648 1.00 0.00 N ATOM 1376 NH2 ARG A 89 20.662 -1.897 -7.609 1.00 0.00 N ATOM 0 H ARG A 89 13.633 -2.163 -4.493 1.00 0.00 H new ATOM 0 HA ARG A 89 15.896 -1.764 -2.828 1.00 0.00 H new ATOM 0 HB2 ARG A 89 14.961 -0.931 -5.403 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.319 0.525 -4.496 1.00 0.00 H new ATOM 0 HG2 ARG A 89 17.579 0.104 -4.449 1.00 0.00 H new ATOM 0 HG3 ARG A 89 17.359 -1.613 -4.178 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.621 -1.787 -6.646 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.166 -0.133 -6.840 1.00 0.00 H new ATOM 0 HE ARG A 89 19.164 -1.936 -5.605 1.00 0.00 H new ATOM 0 HH11 ARG A 89 17.885 -0.549 -8.609 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.374 -0.836 -9.517 1.00 0.00 H new ATOM 0 HH21 ARG A 89 21.089 -2.308 -6.779 1.00 0.00 H new ATOM 0 HH22 ARG A 89 21.192 -1.835 -8.478 1.00 0.00 H new ATOM 1390 N ILE A 90 13.367 0.352 -2.588 1.00 0.00 N ATOM 1391 CA ILE A 90 12.763 1.371 -1.746 1.00 0.00 C ATOM 1392 C ILE A 90 12.828 0.923 -0.285 1.00 0.00 C ATOM 1393 O ILE A 90 13.394 1.619 0.557 1.00 0.00 O ATOM 1394 CB ILE A 90 11.347 1.693 -2.228 1.00 0.00 C ATOM 1395 CG1 ILE A 90 11.376 2.387 -3.591 1.00 0.00 C ATOM 1396 CG2 ILE A 90 10.586 2.513 -1.184 1.00 0.00 C ATOM 1397 CD1 ILE A 90 10.026 2.263 -4.299 1.00 0.00 C ATOM 0 H ILE A 90 12.811 0.087 -3.401 1.00 0.00 H new ATOM 0 HA ILE A 90 13.320 2.305 -1.818 1.00 0.00 H new ATOM 0 HB ILE A 90 10.808 0.754 -2.356 1.00 0.00 H new ATOM 0 HG12 ILE A 90 11.627 3.440 -3.462 1.00 0.00 H new ATOM 0 HG13 ILE A 90 12.157 1.947 -4.211 1.00 0.00 H new ATOM 0 HG21 ILE A 90 9.583 2.728 -1.551 1.00 0.00 H new ATOM 0 HG22 ILE A 90 10.519 1.947 -0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 90 11.114 3.449 -1.001 1.00 0.00 H new ATOM 0 HD11 ILE A 90 10.074 2.765 -5.265 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.789 1.210 -4.449 1.00 0.00 H new ATOM 0 HD13 ILE A 90 9.251 2.726 -3.688 1.00 0.00 H new ATOM 1409 N TYR A 91 12.240 -0.237 -0.028 1.00 0.00 N ATOM 1410 CA TYR A 91 12.225 -0.786 1.318 1.00 0.00 C ATOM 1411 C TYR A 91 13.634 -0.819 1.913 1.00 0.00 C ATOM 1412 O TYR A 91 13.840 -0.407 3.053 1.00 0.00 O ATOM 1413 CB TYR A 91 11.707 -2.219 1.182 1.00 0.00 C ATOM 1414 CG TYR A 91 10.244 -2.313 0.742 1.00 0.00 C ATOM 1415 CD1 TYR A 91 9.325 -1.391 1.200 1.00 0.00 C ATOM 1416 CD2 TYR A 91 9.845 -3.320 -0.113 1.00 0.00 C ATOM 1417 CE1 TYR A 91 7.949 -1.480 0.786 1.00 0.00 C ATOM 1418 CE2 TYR A 91 8.468 -3.409 -0.527 1.00 0.00 C ATOM 1419 CZ TYR A 91 7.588 -2.484 -0.057 1.00 0.00 C ATOM 1420 OH TYR A 91 6.289 -2.568 -0.449 1.00 0.00 O ATOM 0 H TYR A 91 11.771 -0.811 -0.728 1.00 0.00 H new ATOM 0 HA TYR A 91 11.603 -0.177 1.974 1.00 0.00 H new ATOM 0 HB2 TYR A 91 12.327 -2.752 0.461 1.00 0.00 H new ATOM 0 HB3 TYR A 91 11.821 -2.728 2.139 1.00 0.00 H new ATOM 0 HD1 TYR A 91 9.638 -0.603 1.869 1.00 0.00 H new ATOM 0 HD2 TYR A 91 10.565 -4.041 -0.472 1.00 0.00 H new ATOM 0 HE1 TYR A 91 7.220 -0.765 1.137 1.00 0.00 H new ATOM 0 HE2 TYR A 91 8.142 -4.192 -1.195 1.00 0.00 H new ATOM 0 HH TYR A 91 6.090 -1.844 -1.078 1.00 0.00 H new ATOM 1430 N GLN A 92 14.567 -1.315 1.113 1.00 0.00 N ATOM 1431 CA GLN A 92 15.951 -1.408 1.547 1.00 0.00 C ATOM 1432 C GLN A 92 16.444 -0.047 2.043 1.00 0.00 C ATOM 1433 O GLN A 92 16.754 0.112 3.223 1.00 0.00 O ATOM 1434 CB GLN A 92 16.843 -1.938 0.422 1.00 0.00 C ATOM 1435 CG GLN A 92 18.316 -1.632 0.701 1.00 0.00 C ATOM 1436 CD GLN A 92 18.804 -2.377 1.946 1.00 0.00 C ATOM 1437 OE1 GLN A 92 18.055 -2.657 2.867 1.00 0.00 O ATOM 1438 NE2 GLN A 92 20.099 -2.680 1.922 1.00 0.00 N ATOM 0 H GLN A 92 14.392 -1.656 0.168 1.00 0.00 H new ATOM 0 HA GLN A 92 16.006 -2.116 2.374 1.00 0.00 H new ATOM 0 HB2 GLN A 92 16.704 -3.014 0.319 1.00 0.00 H new ATOM 0 HB3 GLN A 92 16.547 -1.487 -0.525 1.00 0.00 H new ATOM 0 HG2 GLN A 92 18.920 -1.919 -0.159 1.00 0.00 H new ATOM 0 HG3 GLN A 92 18.448 -0.559 0.839 1.00 0.00 H new ATOM 0 HE21 GLN A 92 20.670 -2.416 1.119 1.00 0.00 H new ATOM 0 HE22 GLN A 92 20.521 -3.177 2.707 1.00 0.00 H new ATOM 1447 N ASP A 93 16.502 0.899 1.118 1.00 0.00 N ATOM 1448 CA ASP A 93 16.953 2.241 1.447 1.00 0.00 C ATOM 1449 C ASP A 93 16.356 2.659 2.792 1.00 0.00 C ATOM 1450 O ASP A 93 17.086 3.021 3.713 1.00 0.00 O ATOM 1451 CB ASP A 93 16.495 3.250 0.392 1.00 0.00 C ATOM 1452 CG ASP A 93 17.515 4.338 0.052 1.00 0.00 C ATOM 1453 OD1 ASP A 93 18.465 4.012 -0.692 1.00 0.00 O ATOM 1454 OD2 ASP A 93 17.322 5.471 0.543 1.00 0.00 O ATOM 0 H ASP A 93 16.244 0.763 0.140 1.00 0.00 H new ATOM 0 HA ASP A 93 18.042 2.231 1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 93 16.245 2.710 -0.521 1.00 0.00 H new ATOM 0 HB3 ASP A 93 15.580 3.728 0.741 1.00 0.00 H new ATOM 1459 N GLU A 94 15.034 2.595 2.862 1.00 0.00 N ATOM 1460 CA GLU A 94 14.331 2.963 4.079 1.00 0.00 C ATOM 1461 C GLU A 94 14.939 2.240 5.283 1.00 0.00 C ATOM 1462 O GLU A 94 15.522 2.873 6.162 1.00 0.00 O ATOM 1463 CB GLU A 94 12.835 2.665 3.959 1.00 0.00 C ATOM 1464 CG GLU A 94 12.051 3.930 3.601 1.00 0.00 C ATOM 1465 CD GLU A 94 12.474 4.468 2.232 1.00 0.00 C ATOM 1466 OE1 GLU A 94 12.409 3.677 1.267 1.00 0.00 O ATOM 1467 OE2 GLU A 94 12.854 5.658 2.183 1.00 0.00 O ATOM 0 H GLU A 94 14.432 2.294 2.096 1.00 0.00 H new ATOM 0 HA GLU A 94 14.444 4.037 4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.672 1.904 3.196 1.00 0.00 H new ATOM 0 HB3 GLU A 94 12.465 2.258 4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.983 3.711 3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 94 12.216 4.692 4.362 1.00 0.00 H new ATOM 1474 N ARG A 95 14.782 0.925 5.283 1.00 0.00 N ATOM 1475 CA ARG A 95 15.308 0.109 6.364 1.00 0.00 C ATOM 1476 C ARG A 95 16.755 0.502 6.670 1.00 0.00 C ATOM 1477 O ARG A 95 17.108 0.732 7.826 1.00 0.00 O ATOM 1478 CB ARG A 95 15.255 -1.378 6.008 1.00 0.00 C ATOM 1479 CG ARG A 95 13.815 -1.895 6.024 1.00 0.00 C ATOM 1480 CD ARG A 95 13.550 -2.817 4.832 1.00 0.00 C ATOM 1481 NE ARG A 95 13.742 -4.229 5.232 1.00 0.00 N ATOM 1482 CZ ARG A 95 13.636 -5.268 4.393 1.00 0.00 C ATOM 1483 NH1 ARG A 95 13.339 -5.060 3.103 1.00 0.00 N ATOM 1484 NH2 ARG A 95 13.826 -6.515 4.844 1.00 0.00 N ATOM 0 H ARG A 95 14.298 0.404 4.552 1.00 0.00 H new ATOM 0 HA ARG A 95 14.687 0.283 7.243 1.00 0.00 H new ATOM 0 HB2 ARG A 95 15.691 -1.535 5.021 1.00 0.00 H new ATOM 0 HB3 ARG A 95 15.857 -1.947 6.716 1.00 0.00 H new ATOM 0 HG2 ARG A 95 13.628 -2.433 6.953 1.00 0.00 H new ATOM 0 HG3 ARG A 95 13.122 -1.054 5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 95 12.534 -2.669 4.466 1.00 0.00 H new ATOM 0 HD3 ARG A 95 14.224 -2.568 4.012 1.00 0.00 H new ATOM 0 HE ARG A 95 13.969 -4.423 6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 95 13.194 -4.111 2.760 1.00 0.00 H new ATOM 0 HH12 ARG A 95 13.258 -5.851 2.464 1.00 0.00 H new ATOM 0 HH21 ARG A 95 14.051 -6.673 5.826 1.00 0.00 H new ATOM 0 HH22 ARG A 95 13.745 -7.306 4.205 1.00 0.00 H new ATOM 1498 N SER A 96 17.553 0.566 5.614 1.00 0.00 N ATOM 1499 CA SER A 96 18.953 0.927 5.755 1.00 0.00 C ATOM 1500 C SER A 96 19.676 -0.109 6.618 1.00 0.00 C ATOM 1501 O SER A 96 19.976 0.148 7.783 1.00 0.00 O ATOM 1502 CB SER A 96 19.103 2.323 6.364 1.00 0.00 C ATOM 1503 OG SER A 96 20.419 2.842 6.192 1.00 0.00 O ATOM 0 H SER A 96 17.256 0.374 4.657 1.00 0.00 H new ATOM 0 HA SER A 96 19.404 0.942 4.763 1.00 0.00 H new ATOM 0 HB2 SER A 96 18.383 2.999 5.902 1.00 0.00 H new ATOM 0 HB3 SER A 96 18.865 2.282 7.427 1.00 0.00 H new ATOM 0 HG SER A 96 20.474 3.735 6.593 1.00 0.00 H new ATOM 1509 N GLY A 97 19.936 -1.258 6.012 1.00 0.00 N ATOM 1510 CA GLY A 97 20.619 -2.334 6.710 1.00 0.00 C ATOM 1511 C GLY A 97 21.235 -3.326 5.721 1.00 0.00 C ATOM 1512 O GLY A 97 20.933 -3.288 4.529 1.00 0.00 O ATOM 0 H GLY A 97 19.686 -1.467 5.046 1.00 0.00 H new ATOM 0 HA2 GLY A 97 21.399 -1.920 7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 97 19.916 -2.853 7.361 1.00 0.00 H new ATOM 1516 N PRO A 98 22.109 -4.213 6.266 1.00 0.00 N ATOM 1517 CA PRO A 98 22.770 -5.213 5.445 1.00 0.00 C ATOM 1518 C PRO A 98 21.806 -6.340 5.071 1.00 0.00 C ATOM 1519 O PRO A 98 21.409 -7.131 5.926 1.00 0.00 O ATOM 1520 CB PRO A 98 23.948 -5.691 6.279 1.00 0.00 C ATOM 1521 CG PRO A 98 23.637 -5.285 7.710 1.00 0.00 C ATOM 1522 CD PRO A 98 22.491 -4.288 7.673 1.00 0.00 C ATOM 0 HA PRO A 98 23.111 -4.814 4.490 1.00 0.00 H new ATOM 0 HB2 PRO A 98 24.072 -6.771 6.197 1.00 0.00 H new ATOM 0 HB3 PRO A 98 24.878 -5.237 5.938 1.00 0.00 H new ATOM 0 HG2 PRO A 98 23.365 -6.158 8.304 1.00 0.00 H new ATOM 0 HG3 PRO A 98 24.514 -4.841 8.180 1.00 0.00 H new ATOM 0 HD2 PRO A 98 21.658 -4.620 8.292 1.00 0.00 H new ATOM 0 HD3 PRO A 98 22.801 -3.314 8.051 1.00 0.00 H new ATOM 1530 N SER A 99 21.457 -6.378 3.794 1.00 0.00 N ATOM 1531 CA SER A 99 20.546 -7.395 3.296 1.00 0.00 C ATOM 1532 C SER A 99 20.725 -7.565 1.786 1.00 0.00 C ATOM 1533 O SER A 99 20.647 -6.593 1.036 1.00 0.00 O ATOM 1534 CB SER A 99 19.094 -7.042 3.623 1.00 0.00 C ATOM 1535 OG SER A 99 18.184 -8.028 3.144 1.00 0.00 O ATOM 0 H SER A 99 21.789 -5.721 3.088 1.00 0.00 H new ATOM 0 HA SER A 99 20.782 -8.337 3.791 1.00 0.00 H new ATOM 0 HB2 SER A 99 18.980 -6.938 4.702 1.00 0.00 H new ATOM 0 HB3 SER A 99 18.847 -6.076 3.182 1.00 0.00 H new ATOM 0 HG SER A 99 17.268 -7.767 3.374 1.00 0.00 H new ATOM 1541 N SER A 100 20.961 -8.805 1.386 1.00 0.00 N ATOM 1542 CA SER A 100 21.152 -9.114 -0.021 1.00 0.00 C ATOM 1543 C SER A 100 19.806 -9.093 -0.748 1.00 0.00 C ATOM 1544 O SER A 100 18.783 -9.470 -0.179 1.00 0.00 O ATOM 1545 CB SER A 100 21.830 -10.473 -0.200 1.00 0.00 C ATOM 1546 OG SER A 100 21.103 -11.521 0.435 1.00 0.00 O ATOM 0 H SER A 100 21.024 -9.608 2.011 1.00 0.00 H new ATOM 0 HA SER A 100 21.804 -8.354 -0.452 1.00 0.00 H new ATOM 0 HB2 SER A 100 21.927 -10.692 -1.263 1.00 0.00 H new ATOM 0 HB3 SER A 100 22.839 -10.431 0.211 1.00 0.00 H new ATOM 0 HG SER A 100 21.568 -12.372 0.296 1.00 0.00 H new ATOM 1552 N GLY A 101 19.850 -8.649 -1.996 1.00 0.00 N ATOM 1553 CA GLY A 101 18.647 -8.574 -2.806 1.00 0.00 C ATOM 1554 C GLY A 101 18.316 -7.124 -3.165 1.00 0.00 C ATOM 1555 O GLY A 101 19.143 -6.420 -3.744 1.00 0.00 O ATOM 0 H GLY A 101 20.700 -8.338 -2.465 1.00 0.00 H new ATOM 0 HA2 GLY A 101 18.781 -9.156 -3.718 1.00 0.00 H new ATOM 0 HA3 GLY A 101 17.812 -9.018 -2.264 1.00 0.00 H new TER 1559 GLY A 101