USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 679 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 92 SER OG : rot 180:sc= -0.0195 USER MOD Set 1.2: A 93 SER OG : rot 19:sc= 0.497 USER MOD Single : A 1 GLY N :NH3+ 138:sc= 0.00389 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 45:sc= 1.13 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 HIS : no HD1:sc= 0.015 X(o=0.015,f=-0.42) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 GLN : amide:sc= -0.616 X(o=-0.62,f=-0.41) USER MOD Single : A 20 MET CE :methyl -156:sc= -0.535 (180deg=-1.82!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 160:sc= 1.19 (180deg=0.907) USER MOD Single : A 32 LYS NZ :NH3+ 151:sc= -0.478 (180deg=-1.96!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.22) USER MOD Single : A 41 GLN : amide:sc= -0.294 K(o=-0.29,f=-0.98) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl -160:sc= -2.66! (180deg=-3.39!) USER MOD Single : A 50 MET CE :methyl -107:sc= -0.649 (180deg=-3.18!) USER MOD Single : A 52 GLN : amide:sc= -0.3 X(o=-0.3,f=-0.3) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0402 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -174:sc= -1.22 (180deg=-1.53) USER MOD Single : A 74 GLN : amide:sc= -0.355 K(o=-0.36,f=-1.1) USER MOD Single : A 75 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 LYS NZ :NH3+ -116:sc= -0.151 (180deg=-0.857) USER MOD Single : A 79 MET CE :methyl -126:sc= -0.683 (180deg=-3.82!) USER MOD Single : A 87 GLN : amide:sc= -0.191 K(o=-0.19,f=-0.95) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 38.216 14.481 7.213 1.00 0.00 N ATOM 2 CA GLY A 1 37.128 15.272 7.757 1.00 0.00 C ATOM 3 C GLY A 1 35.798 14.957 7.103 1.00 0.00 C ATOM 4 O GLY A 1 35.719 14.804 5.884 1.00 0.00 O ATOM 0 H1 GLY A 1 39.054 15.084 7.086 1.00 0.00 H new ATOM 0 H2 GLY A 1 38.443 13.706 7.868 1.00 0.00 H new ATOM 0 H3 GLY A 1 37.932 14.085 6.294 1.00 0.00 H new ATOM 0 HA2 GLY A 1 37.053 15.092 8.829 1.00 0.00 H new ATOM 0 HA3 GLY A 1 37.352 16.331 7.626 1.00 0.00 H new ATOM 8 N SER A 2 34.749 14.858 7.913 1.00 0.00 N ATOM 9 CA SER A 2 33.416 14.554 7.406 1.00 0.00 C ATOM 10 C SER A 2 32.673 15.832 7.029 1.00 0.00 C ATOM 11 O SER A 2 32.153 16.538 7.893 1.00 0.00 O ATOM 12 CB SER A 2 32.616 13.774 8.451 1.00 0.00 C ATOM 13 OG SER A 2 31.365 13.360 7.930 1.00 0.00 O ATOM 0 H SER A 2 34.797 14.984 8.924 1.00 0.00 H new ATOM 0 HA SER A 2 33.525 13.941 6.511 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.186 12.902 8.774 1.00 0.00 H new ATOM 0 HB3 SER A 2 32.459 14.396 9.332 1.00 0.00 H new ATOM 0 HG SER A 2 30.873 12.862 8.616 1.00 0.00 H new ATOM 19 N SER A 3 32.628 16.122 5.733 1.00 0.00 N ATOM 20 CA SER A 3 31.953 17.317 5.240 1.00 0.00 C ATOM 21 C SER A 3 30.697 16.947 4.456 1.00 0.00 C ATOM 22 O SER A 3 30.763 16.637 3.268 1.00 0.00 O ATOM 23 CB SER A 3 32.897 18.135 4.357 1.00 0.00 C ATOM 24 OG SER A 3 33.244 17.421 3.183 1.00 0.00 O ATOM 0 H SER A 3 33.051 15.546 5.005 1.00 0.00 H new ATOM 0 HA SER A 3 31.659 17.919 6.100 1.00 0.00 H new ATOM 0 HB2 SER A 3 32.421 19.077 4.086 1.00 0.00 H new ATOM 0 HB3 SER A 3 33.799 18.383 4.916 1.00 0.00 H new ATOM 0 HG SER A 3 32.440 17.015 2.797 1.00 0.00 H new ATOM 30 N GLY A 4 29.553 16.982 5.132 1.00 0.00 N ATOM 31 CA GLY A 4 28.298 16.648 4.484 1.00 0.00 C ATOM 32 C GLY A 4 27.872 15.218 4.749 1.00 0.00 C ATOM 33 O GLY A 4 28.466 14.278 4.220 1.00 0.00 O ATOM 0 H GLY A 4 29.473 17.236 6.117 1.00 0.00 H new ATOM 0 HA2 GLY A 4 27.520 17.326 4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 4 28.395 16.802 3.409 1.00 0.00 H new ATOM 37 N SER A 5 26.840 15.052 5.570 1.00 0.00 N ATOM 38 CA SER A 5 26.338 13.725 5.908 1.00 0.00 C ATOM 39 C SER A 5 25.289 13.268 4.900 1.00 0.00 C ATOM 40 O SER A 5 24.302 13.962 4.656 1.00 0.00 O ATOM 41 CB SER A 5 25.742 13.726 7.317 1.00 0.00 C ATOM 42 OG SER A 5 24.850 12.639 7.494 1.00 0.00 O ATOM 0 H SER A 5 26.335 15.820 6.013 1.00 0.00 H new ATOM 0 HA SER A 5 27.175 13.028 5.876 1.00 0.00 H new ATOM 0 HB2 SER A 5 26.543 13.667 8.054 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.216 14.664 7.492 1.00 0.00 H new ATOM 0 HG SER A 5 24.484 12.661 8.403 1.00 0.00 H new ATOM 48 N SER A 6 25.510 12.094 4.316 1.00 0.00 N ATOM 49 CA SER A 6 24.586 11.545 3.330 1.00 0.00 C ATOM 50 C SER A 6 23.144 11.660 3.814 1.00 0.00 C ATOM 51 O SER A 6 22.683 10.858 4.625 1.00 0.00 O ATOM 52 CB SER A 6 24.924 10.080 3.044 1.00 0.00 C ATOM 53 OG SER A 6 24.434 9.682 1.775 1.00 0.00 O ATOM 0 H SER A 6 26.320 11.505 4.509 1.00 0.00 H new ATOM 0 HA SER A 6 24.690 12.121 2.411 1.00 0.00 H new ATOM 0 HB2 SER A 6 26.004 9.939 3.081 1.00 0.00 H new ATOM 0 HB3 SER A 6 24.493 9.446 3.819 1.00 0.00 H new ATOM 0 HG SER A 6 24.664 8.743 1.615 1.00 0.00 H new ATOM 59 N GLY A 7 22.435 12.666 3.310 1.00 0.00 N ATOM 60 CA GLY A 7 21.053 12.869 3.701 1.00 0.00 C ATOM 61 C GLY A 7 20.825 12.617 5.178 1.00 0.00 C ATOM 62 O GLY A 7 20.270 11.586 5.561 1.00 0.00 O ATOM 0 H GLY A 7 22.794 13.344 2.638 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.757 13.890 3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.413 12.206 3.119 1.00 0.00 H new ATOM 66 N HIS A 8 21.257 13.558 6.012 1.00 0.00 N ATOM 67 CA HIS A 8 21.098 13.432 7.456 1.00 0.00 C ATOM 68 C HIS A 8 19.621 13.406 7.840 1.00 0.00 C ATOM 69 O HIS A 8 18.746 13.565 6.991 1.00 0.00 O ATOM 70 CB HIS A 8 21.802 14.586 8.170 1.00 0.00 C ATOM 71 CG HIS A 8 21.193 15.925 7.889 1.00 0.00 C ATOM 72 ND1 HIS A 8 21.471 16.654 6.752 1.00 0.00 N ATOM 73 CD2 HIS A 8 20.315 16.667 8.604 1.00 0.00 C ATOM 74 CE1 HIS A 8 20.791 17.787 6.780 1.00 0.00 C ATOM 75 NE2 HIS A 8 20.081 17.819 7.894 1.00 0.00 N ATOM 0 H HIS A 8 21.720 14.416 5.712 1.00 0.00 H new ATOM 0 HA HIS A 8 21.553 12.491 7.766 1.00 0.00 H new ATOM 0 HB2 HIS A 8 21.781 14.405 9.245 1.00 0.00 H new ATOM 0 HB3 HIS A 8 22.850 14.603 7.870 1.00 0.00 H new ATOM 0 HD2 HIS A 8 19.879 16.402 9.556 1.00 0.00 H new ATOM 0 HE1 HIS A 8 20.812 18.556 6.022 1.00 0.00 H new ATOM 0 HE2 HIS A 8 19.460 18.576 8.180 1.00 0.00 H new ATOM 84 N GLY A 9 19.353 13.203 9.126 1.00 0.00 N ATOM 85 CA GLY A 9 17.981 13.158 9.600 1.00 0.00 C ATOM 86 C GLY A 9 17.276 11.873 9.213 1.00 0.00 C ATOM 87 O GLY A 9 17.621 11.245 8.211 1.00 0.00 O ATOM 0 H GLY A 9 20.061 13.069 9.848 1.00 0.00 H new ATOM 0 HA2 GLY A 9 17.971 13.262 10.685 1.00 0.00 H new ATOM 0 HA3 GLY A 9 17.431 14.007 9.194 1.00 0.00 H new ATOM 91 N ASP A 10 16.288 11.480 10.008 1.00 0.00 N ATOM 92 CA ASP A 10 15.532 10.261 9.744 1.00 0.00 C ATOM 93 C ASP A 10 14.157 10.588 9.171 1.00 0.00 C ATOM 94 O ASP A 10 13.805 10.140 8.081 1.00 0.00 O ATOM 95 CB ASP A 10 15.383 9.440 11.026 1.00 0.00 C ATOM 96 CG ASP A 10 16.524 8.461 11.223 1.00 0.00 C ATOM 97 OD1 ASP A 10 17.642 8.911 11.549 1.00 0.00 O ATOM 98 OD2 ASP A 10 16.298 7.245 11.049 1.00 0.00 O ATOM 0 H ASP A 10 15.991 11.988 10.841 1.00 0.00 H new ATOM 0 HA ASP A 10 16.082 9.674 9.008 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.334 10.114 11.882 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.440 8.894 10.996 1.00 0.00 H new ATOM 103 N GLY A 11 13.382 11.371 9.916 1.00 0.00 N ATOM 104 CA GLY A 11 12.053 11.743 9.466 1.00 0.00 C ATOM 105 C GLY A 11 10.975 11.355 10.459 1.00 0.00 C ATOM 106 O GLY A 11 10.321 10.321 10.325 1.00 0.00 O ATOM 0 H GLY A 11 13.651 11.754 10.822 1.00 0.00 H new ATOM 0 HA2 GLY A 11 12.018 12.819 9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.850 11.264 8.508 1.00 0.00 H new ATOM 110 N PRO A 12 10.780 12.196 11.485 1.00 0.00 N ATOM 111 CA PRO A 12 9.775 11.956 12.526 1.00 0.00 C ATOM 112 C PRO A 12 8.351 12.108 12.002 1.00 0.00 C ATOM 113 O PRO A 12 8.077 12.958 11.157 1.00 0.00 O ATOM 114 CB PRO A 12 10.079 13.035 13.568 1.00 0.00 C ATOM 115 CG PRO A 12 10.745 14.125 12.802 1.00 0.00 C ATOM 116 CD PRO A 12 11.523 13.447 11.708 1.00 0.00 C ATOM 0 HA PRO A 12 9.827 10.940 12.917 1.00 0.00 H new ATOM 0 HB2 PRO A 12 9.167 13.389 14.049 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.727 12.652 14.357 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.011 14.816 12.388 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.404 14.708 13.446 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.562 14.057 10.806 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.553 13.254 12.008 1.00 0.00 H new ATOM 124 N GLY A 13 7.446 11.276 12.512 1.00 0.00 N ATOM 125 CA GLY A 13 6.061 11.335 12.083 1.00 0.00 C ATOM 126 C GLY A 13 5.647 10.111 11.292 1.00 0.00 C ATOM 127 O GLY A 13 6.487 9.424 10.713 1.00 0.00 O ATOM 0 H GLY A 13 7.648 10.564 13.213 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.417 11.434 12.957 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.910 12.226 11.473 1.00 0.00 H new ATOM 131 N ASN A 14 4.346 9.836 11.267 1.00 0.00 N ATOM 132 CA ASN A 14 3.822 8.684 10.542 1.00 0.00 C ATOM 133 C ASN A 14 4.364 8.647 9.116 1.00 0.00 C ATOM 134 O ASN A 14 4.404 9.667 8.429 1.00 0.00 O ATOM 135 CB ASN A 14 2.293 8.723 10.518 1.00 0.00 C ATOM 136 CG ASN A 14 1.677 8.002 11.701 1.00 0.00 C ATOM 137 OD1 ASN A 14 1.476 8.590 12.764 1.00 0.00 O ATOM 138 ND2 ASN A 14 1.375 6.722 11.522 1.00 0.00 N ATOM 0 H ASN A 14 3.636 10.395 11.740 1.00 0.00 H new ATOM 0 HA ASN A 14 4.147 7.781 11.059 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.959 9.761 10.514 1.00 0.00 H new ATOM 0 HB3 ASN A 14 1.935 8.270 9.593 1.00 0.00 H new ATOM 0 HD21 ASN A 14 0.959 6.185 12.283 1.00 0.00 H new ATOM 0 HD22 ASN A 14 1.559 6.275 10.624 1.00 0.00 H new ATOM 145 N ALA A 15 4.779 7.463 8.678 1.00 0.00 N ATOM 146 CA ALA A 15 5.316 7.291 7.333 1.00 0.00 C ATOM 147 C ALA A 15 4.201 7.026 6.327 1.00 0.00 C ATOM 148 O ALA A 15 3.210 6.367 6.642 1.00 0.00 O ATOM 149 CB ALA A 15 6.330 6.157 7.310 1.00 0.00 C ATOM 0 H ALA A 15 4.754 6.609 9.235 1.00 0.00 H new ATOM 0 HA ALA A 15 5.816 8.216 7.047 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.722 6.040 6.300 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.148 6.387 7.993 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.847 5.231 7.621 1.00 0.00 H new ATOM 155 N VAL A 16 4.369 7.545 5.115 1.00 0.00 N ATOM 156 CA VAL A 16 3.376 7.364 4.062 1.00 0.00 C ATOM 157 C VAL A 16 4.042 7.043 2.728 1.00 0.00 C ATOM 158 O VAL A 16 4.867 7.812 2.235 1.00 0.00 O ATOM 159 CB VAL A 16 2.499 8.619 3.896 1.00 0.00 C ATOM 160 CG1 VAL A 16 3.294 9.746 3.255 1.00 0.00 C ATOM 161 CG2 VAL A 16 1.259 8.297 3.075 1.00 0.00 C ATOM 0 H VAL A 16 5.183 8.094 4.838 1.00 0.00 H new ATOM 0 HA VAL A 16 2.746 6.526 4.362 1.00 0.00 H new ATOM 0 HB VAL A 16 2.178 8.950 4.884 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.657 10.624 3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 16 4.148 9.993 3.885 1.00 0.00 H new ATOM 0 HG13 VAL A 16 3.647 9.430 2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 16 0.651 9.195 2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.558 7.941 2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.679 7.524 3.580 1.00 0.00 H new ATOM 171 N GLN A 17 3.678 5.903 2.150 1.00 0.00 N ATOM 172 CA GLN A 17 4.241 5.481 0.873 1.00 0.00 C ATOM 173 C GLN A 17 3.152 5.355 -0.187 1.00 0.00 C ATOM 174 O GLN A 17 2.156 4.660 0.013 1.00 0.00 O ATOM 175 CB GLN A 17 4.973 4.147 1.031 1.00 0.00 C ATOM 176 CG GLN A 17 6.443 4.298 1.386 1.00 0.00 C ATOM 177 CD GLN A 17 7.235 5.011 0.307 1.00 0.00 C ATOM 178 OE1 GLN A 17 7.502 6.209 0.406 1.00 0.00 O ATOM 179 NE2 GLN A 17 7.615 4.276 -0.731 1.00 0.00 N ATOM 0 H GLN A 17 2.996 5.255 2.545 1.00 0.00 H new ATOM 0 HA GLN A 17 4.952 6.241 0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.479 3.561 1.806 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.888 3.583 0.102 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.532 4.851 2.321 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.875 3.312 1.556 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.372 3.286 -0.772 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.151 4.701 -1.488 1.00 0.00 H new ATOM 188 N GLU A 18 3.348 6.031 -1.314 1.00 0.00 N ATOM 189 CA GLU A 18 2.381 5.995 -2.405 1.00 0.00 C ATOM 190 C GLU A 18 2.897 5.144 -3.561 1.00 0.00 C ATOM 191 O GLU A 18 4.065 5.237 -3.941 1.00 0.00 O ATOM 192 CB GLU A 18 2.078 7.412 -2.895 1.00 0.00 C ATOM 193 CG GLU A 18 1.281 8.242 -1.903 1.00 0.00 C ATOM 194 CD GLU A 18 0.930 9.616 -2.441 1.00 0.00 C ATOM 195 OE1 GLU A 18 0.718 9.736 -3.666 1.00 0.00 O ATOM 196 OE2 GLU A 18 0.866 10.570 -1.639 1.00 0.00 O ATOM 0 H GLU A 18 4.168 6.610 -1.496 1.00 0.00 H new ATOM 0 HA GLU A 18 1.463 5.545 -2.028 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.017 7.922 -3.110 1.00 0.00 H new ATOM 0 HB3 GLU A 18 1.526 7.353 -3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.364 7.712 -1.645 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.855 8.352 -0.983 1.00 0.00 H new ATOM 203 N ILE A 19 2.019 4.315 -4.116 1.00 0.00 N ATOM 204 CA ILE A 19 2.385 3.448 -5.229 1.00 0.00 C ATOM 205 C ILE A 19 1.322 3.477 -6.322 1.00 0.00 C ATOM 206 O ILE A 19 0.179 3.865 -6.079 1.00 0.00 O ATOM 207 CB ILE A 19 2.590 1.994 -4.766 1.00 0.00 C ATOM 208 CG1 ILE A 19 1.722 1.698 -3.541 1.00 0.00 C ATOM 209 CG2 ILE A 19 4.058 1.738 -4.457 1.00 0.00 C ATOM 210 CD1 ILE A 19 2.351 2.134 -2.236 1.00 0.00 C ATOM 0 H ILE A 19 1.049 4.226 -3.813 1.00 0.00 H new ATOM 0 HA ILE A 19 3.324 3.829 -5.630 1.00 0.00 H new ATOM 0 HB ILE A 19 2.287 1.326 -5.572 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.761 2.199 -3.657 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.521 0.628 -3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.187 0.706 -4.131 1.00 0.00 H new ATOM 0 HG22 ILE A 19 4.654 1.913 -5.353 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.386 2.412 -3.666 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.681 1.893 -1.411 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.299 1.614 -2.097 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.527 3.209 -2.258 1.00 0.00 H new ATOM 222 N MET A 20 1.706 3.063 -7.525 1.00 0.00 N ATOM 223 CA MET A 20 0.784 3.039 -8.654 1.00 0.00 C ATOM 224 C MET A 20 0.159 1.657 -8.816 1.00 0.00 C ATOM 225 O MET A 20 0.864 0.664 -8.999 1.00 0.00 O ATOM 226 CB MET A 20 1.510 3.437 -9.941 1.00 0.00 C ATOM 227 CG MET A 20 2.896 2.828 -10.070 1.00 0.00 C ATOM 228 SD MET A 20 3.598 3.040 -11.717 1.00 0.00 S ATOM 229 CE MET A 20 2.252 2.444 -12.738 1.00 0.00 C ATOM 0 H MET A 20 2.649 2.740 -7.743 1.00 0.00 H new ATOM 0 HA MET A 20 -0.012 3.757 -8.457 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.908 3.133 -10.797 1.00 0.00 H new ATOM 0 HB3 MET A 20 1.594 4.523 -9.980 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.559 3.285 -9.335 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.845 1.765 -9.835 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.644 2.109 -13.698 1.00 0.00 H new ATOM 0 HE2 MET A 20 1.757 1.612 -12.238 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.535 3.248 -12.900 1.00 0.00 H new ATOM 239 N ILE A 21 -1.167 1.601 -8.747 1.00 0.00 N ATOM 240 CA ILE A 21 -1.886 0.340 -8.887 1.00 0.00 C ATOM 241 C ILE A 21 -2.723 0.323 -10.162 1.00 0.00 C ATOM 242 O ILE A 21 -3.488 1.246 -10.445 1.00 0.00 O ATOM 243 CB ILE A 21 -2.805 0.080 -7.679 1.00 0.00 C ATOM 244 CG1 ILE A 21 -2.163 0.613 -6.397 1.00 0.00 C ATOM 245 CG2 ILE A 21 -3.102 -1.407 -7.551 1.00 0.00 C ATOM 246 CD1 ILE A 21 -0.925 -0.150 -5.979 1.00 0.00 C ATOM 0 H ILE A 21 -1.765 2.413 -8.595 1.00 0.00 H new ATOM 0 HA ILE A 21 -1.135 -0.448 -8.938 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.746 0.607 -7.837 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.903 1.662 -6.539 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.895 0.573 -5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.753 -1.576 -6.693 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.597 -1.758 -8.456 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.169 -1.954 -7.412 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.523 0.283 -5.063 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.183 -1.195 -5.804 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.176 -0.089 -6.768 1.00 0.00 H new ATOM 258 N PRO A 22 -2.577 -0.752 -10.951 1.00 0.00 N ATOM 259 CA PRO A 22 -3.314 -0.917 -12.207 1.00 0.00 C ATOM 260 C PRO A 22 -4.801 -1.163 -11.980 1.00 0.00 C ATOM 261 O PRO A 22 -5.183 -2.023 -11.187 1.00 0.00 O ATOM 262 CB PRO A 22 -2.659 -2.146 -12.843 1.00 0.00 C ATOM 263 CG PRO A 22 -2.100 -2.914 -11.695 1.00 0.00 C ATOM 264 CD PRO A 22 -1.684 -1.890 -10.676 1.00 0.00 C ATOM 0 HA PRO A 22 -3.267 -0.022 -12.828 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.385 -2.738 -13.399 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -1.877 -1.859 -13.546 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.844 -3.596 -11.282 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.250 -3.521 -12.008 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.809 -2.262 -9.659 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.635 -1.614 -10.788 1.00 0.00 H new ATOM 272 N ALA A 23 -5.636 -0.403 -12.681 1.00 0.00 N ATOM 273 CA ALA A 23 -7.082 -0.541 -12.557 1.00 0.00 C ATOM 274 C ALA A 23 -7.520 -1.979 -12.815 1.00 0.00 C ATOM 275 O ALA A 23 -8.643 -2.364 -12.488 1.00 0.00 O ATOM 276 CB ALA A 23 -7.786 0.408 -13.515 1.00 0.00 C ATOM 0 H ALA A 23 -5.336 0.315 -13.341 1.00 0.00 H new ATOM 0 HA ALA A 23 -7.361 -0.282 -11.536 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.865 0.295 -13.412 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -7.505 1.435 -13.282 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -7.493 0.175 -14.539 1.00 0.00 H new ATOM 282 N SER A 24 -6.628 -2.768 -13.405 1.00 0.00 N ATOM 283 CA SER A 24 -6.925 -4.162 -13.711 1.00 0.00 C ATOM 284 C SER A 24 -6.775 -5.035 -12.469 1.00 0.00 C ATOM 285 O SER A 24 -7.611 -5.896 -12.195 1.00 0.00 O ATOM 286 CB SER A 24 -6.002 -4.671 -14.821 1.00 0.00 C ATOM 287 OG SER A 24 -6.148 -6.068 -15.005 1.00 0.00 O ATOM 0 H SER A 24 -5.694 -2.465 -13.681 1.00 0.00 H new ATOM 0 HA SER A 24 -7.959 -4.221 -14.052 1.00 0.00 H new ATOM 0 HB2 SER A 24 -6.229 -4.153 -15.753 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.966 -4.440 -14.571 1.00 0.00 H new ATOM 0 HG SER A 24 -5.549 -6.368 -15.720 1.00 0.00 H new ATOM 293 N LYS A 25 -5.701 -4.807 -11.720 1.00 0.00 N ATOM 294 CA LYS A 25 -5.439 -5.570 -10.505 1.00 0.00 C ATOM 295 C LYS A 25 -6.008 -4.858 -9.282 1.00 0.00 C ATOM 296 O LYS A 25 -5.884 -5.341 -8.157 1.00 0.00 O ATOM 297 CB LYS A 25 -3.935 -5.786 -10.329 1.00 0.00 C ATOM 298 CG LYS A 25 -3.214 -6.130 -11.621 1.00 0.00 C ATOM 299 CD LYS A 25 -3.294 -7.616 -11.925 1.00 0.00 C ATOM 300 CE LYS A 25 -2.895 -7.913 -13.363 1.00 0.00 C ATOM 301 NZ LYS A 25 -3.528 -9.163 -13.867 1.00 0.00 N ATOM 0 H LYS A 25 -4.998 -4.100 -11.933 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.930 -6.538 -10.601 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.494 -4.883 -9.906 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.774 -6.588 -9.608 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.651 -5.565 -12.444 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.169 -5.828 -11.547 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.641 -8.163 -11.245 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.309 -7.971 -11.747 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.184 -7.077 -14.000 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.811 -8.003 -13.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.521 -9.161 -14.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.996 -9.986 -13.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.510 -9.216 -13.528 1.00 0.00 H new ATOM 315 N ALA A 26 -6.634 -3.708 -9.510 1.00 0.00 N ATOM 316 CA ALA A 26 -7.225 -2.932 -8.427 1.00 0.00 C ATOM 317 C ALA A 26 -8.427 -3.654 -7.827 1.00 0.00 C ATOM 318 O ALA A 26 -9.032 -3.180 -6.866 1.00 0.00 O ATOM 319 CB ALA A 26 -7.630 -1.553 -8.926 1.00 0.00 C ATOM 0 H ALA A 26 -6.745 -3.293 -10.435 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.475 -2.817 -7.644 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -8.070 -0.984 -8.107 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.751 -1.029 -9.300 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -8.360 -1.656 -9.729 1.00 0.00 H new ATOM 325 N GLY A 27 -8.769 -4.803 -8.401 1.00 0.00 N ATOM 326 CA GLY A 27 -9.898 -5.571 -7.910 1.00 0.00 C ATOM 327 C GLY A 27 -9.473 -6.862 -7.238 1.00 0.00 C ATOM 328 O GLY A 27 -10.311 -7.625 -6.756 1.00 0.00 O ATOM 0 H GLY A 27 -8.284 -5.216 -9.198 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -10.465 -4.966 -7.202 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -10.566 -5.800 -8.740 1.00 0.00 H new ATOM 332 N LEU A 28 -8.168 -7.108 -7.206 1.00 0.00 N ATOM 333 CA LEU A 28 -7.632 -8.317 -6.589 1.00 0.00 C ATOM 334 C LEU A 28 -7.091 -8.022 -5.194 1.00 0.00 C ATOM 335 O LEU A 28 -7.117 -8.881 -4.312 1.00 0.00 O ATOM 336 CB LEU A 28 -6.527 -8.912 -7.462 1.00 0.00 C ATOM 337 CG LEU A 28 -6.990 -9.668 -8.709 1.00 0.00 C ATOM 338 CD1 LEU A 28 -7.241 -8.702 -9.856 1.00 0.00 C ATOM 339 CD2 LEU A 28 -5.963 -10.718 -9.108 1.00 0.00 C ATOM 0 H LEU A 28 -7.461 -6.487 -7.600 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.443 -9.040 -6.499 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -5.865 -8.105 -7.776 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.934 -9.591 -6.850 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.927 -10.175 -8.477 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.570 -9.258 -10.734 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.013 -7.988 -9.568 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.321 -8.167 -10.089 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.309 -11.246 -9.997 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.011 -10.233 -9.322 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.833 -11.428 -8.292 1.00 0.00 H new ATOM 351 N VAL A 29 -6.602 -6.801 -5.000 1.00 0.00 N ATOM 352 CA VAL A 29 -6.056 -6.392 -3.712 1.00 0.00 C ATOM 353 C VAL A 29 -7.130 -5.748 -2.841 1.00 0.00 C ATOM 354 O VAL A 29 -7.094 -5.854 -1.614 1.00 0.00 O ATOM 355 CB VAL A 29 -4.890 -5.401 -3.885 1.00 0.00 C ATOM 356 CG1 VAL A 29 -5.187 -4.416 -5.005 1.00 0.00 C ATOM 357 CG2 VAL A 29 -4.614 -4.669 -2.580 1.00 0.00 C ATOM 0 H VAL A 29 -6.573 -6.078 -5.719 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.687 -7.294 -3.224 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.996 -5.963 -4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.352 -3.724 -5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.330 -4.959 -5.939 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -6.093 -3.858 -4.768 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.787 -3.973 -2.721 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -5.504 -4.118 -2.277 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.353 -5.391 -1.806 1.00 0.00 H new ATOM 367 N ILE A 30 -8.083 -5.082 -3.482 1.00 0.00 N ATOM 368 CA ILE A 30 -9.168 -4.422 -2.766 1.00 0.00 C ATOM 369 C ILE A 30 -10.255 -5.419 -2.376 1.00 0.00 C ATOM 370 O ILE A 30 -10.784 -5.373 -1.266 1.00 0.00 O ATOM 371 CB ILE A 30 -9.797 -3.297 -3.609 1.00 0.00 C ATOM 372 CG1 ILE A 30 -8.738 -2.261 -3.988 1.00 0.00 C ATOM 373 CG2 ILE A 30 -10.940 -2.641 -2.848 1.00 0.00 C ATOM 374 CD1 ILE A 30 -9.298 -1.070 -4.734 1.00 0.00 C ATOM 0 H ILE A 30 -8.127 -4.985 -4.496 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.734 -3.989 -1.864 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.198 -3.730 -4.525 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.242 -1.912 -3.082 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.977 -2.740 -4.604 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -11.374 -1.848 -3.457 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.703 -3.386 -2.624 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -10.562 -2.218 -1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -8.491 -0.377 -4.971 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -9.769 -1.408 -5.657 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.038 -0.567 -4.112 1.00 0.00 H new ATOM 386 N GLY A 31 -10.581 -6.321 -3.296 1.00 0.00 N ATOM 387 CA GLY A 31 -11.602 -7.317 -3.029 1.00 0.00 C ATOM 388 C GLY A 31 -12.989 -6.846 -3.421 1.00 0.00 C ATOM 389 O GLY A 31 -13.172 -6.238 -4.476 1.00 0.00 O ATOM 0 H GLY A 31 -10.156 -6.380 -4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -11.365 -8.231 -3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -11.593 -7.567 -1.968 1.00 0.00 H new ATOM 393 N LYS A 32 -13.970 -7.128 -2.570 1.00 0.00 N ATOM 394 CA LYS A 32 -15.348 -6.730 -2.832 1.00 0.00 C ATOM 395 C LYS A 32 -15.799 -5.653 -1.850 1.00 0.00 C ATOM 396 O LYS A 32 -16.627 -5.904 -0.976 1.00 0.00 O ATOM 397 CB LYS A 32 -16.277 -7.942 -2.738 1.00 0.00 C ATOM 398 CG LYS A 32 -16.277 -8.604 -1.371 1.00 0.00 C ATOM 399 CD LYS A 32 -16.653 -10.074 -1.463 1.00 0.00 C ATOM 400 CE LYS A 32 -18.161 -10.267 -1.421 1.00 0.00 C ATOM 401 NZ LYS A 32 -18.833 -9.641 -2.594 1.00 0.00 N ATOM 0 H LYS A 32 -13.836 -7.631 -1.693 1.00 0.00 H new ATOM 0 HA LYS A 32 -15.396 -6.320 -3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -17.293 -7.630 -2.981 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.980 -8.676 -3.488 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -15.290 -8.508 -0.919 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -16.979 -8.088 -0.716 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -16.257 -10.495 -2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -16.192 -10.621 -0.640 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -18.390 -11.332 -1.397 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -18.557 -9.835 -0.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -19.705 -10.163 -2.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -19.068 -8.652 -2.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -18.196 -9.670 -3.415 1.00 0.00 H new ATOM 415 N GLY A 33 -15.249 -4.452 -2.002 1.00 0.00 N ATOM 416 CA GLY A 33 -15.609 -3.355 -1.123 1.00 0.00 C ATOM 417 C GLY A 33 -14.581 -3.125 -0.033 1.00 0.00 C ATOM 418 O GLY A 33 -14.923 -2.713 1.075 1.00 0.00 O ATOM 0 H GLY A 33 -14.561 -4.219 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.721 -2.444 -1.711 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.577 -3.561 -0.667 1.00 0.00 H new ATOM 422 N GLY A 34 -13.318 -3.395 -0.346 1.00 0.00 N ATOM 423 CA GLY A 34 -12.257 -3.211 0.627 1.00 0.00 C ATOM 424 C GLY A 34 -12.180 -4.350 1.624 1.00 0.00 C ATOM 425 O GLY A 34 -12.084 -4.123 2.829 1.00 0.00 O ATOM 0 H GLY A 34 -13.010 -3.738 -1.256 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.303 -3.122 0.107 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.417 -2.275 1.162 1.00 0.00 H new ATOM 429 N GLU A 35 -12.224 -5.579 1.119 1.00 0.00 N ATOM 430 CA GLU A 35 -12.161 -6.758 1.975 1.00 0.00 C ATOM 431 C GLU A 35 -10.722 -7.239 2.135 1.00 0.00 C ATOM 432 O GLU A 35 -10.181 -7.260 3.241 1.00 0.00 O ATOM 433 CB GLU A 35 -13.024 -7.882 1.398 1.00 0.00 C ATOM 434 CG GLU A 35 -14.463 -7.858 1.887 1.00 0.00 C ATOM 435 CD GLU A 35 -15.259 -6.708 1.302 1.00 0.00 C ATOM 436 OE1 GLU A 35 -14.646 -5.827 0.662 1.00 0.00 O ATOM 437 OE2 GLU A 35 -16.494 -6.687 1.483 1.00 0.00 O ATOM 0 H GLU A 35 -12.303 -5.784 0.123 1.00 0.00 H new ATOM 0 HA GLU A 35 -12.545 -6.482 2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.018 -7.811 0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -12.577 -8.842 1.658 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.947 -8.799 1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -14.472 -7.785 2.975 1.00 0.00 H new ATOM 444 N THR A 36 -10.106 -7.626 1.022 1.00 0.00 N ATOM 445 CA THR A 36 -8.731 -8.108 1.038 1.00 0.00 C ATOM 446 C THR A 36 -7.784 -7.051 1.594 1.00 0.00 C ATOM 447 O THR A 36 -7.218 -7.218 2.675 1.00 0.00 O ATOM 448 CB THR A 36 -8.261 -8.510 -0.373 1.00 0.00 C ATOM 449 OG1 THR A 36 -9.146 -9.492 -0.923 1.00 0.00 O ATOM 450 CG2 THR A 36 -6.844 -9.062 -0.334 1.00 0.00 C ATOM 0 H THR A 36 -10.538 -7.615 0.098 1.00 0.00 H new ATOM 0 HA THR A 36 -8.711 -8.986 1.684 1.00 0.00 H new ATOM 0 HB THR A 36 -8.270 -7.620 -1.003 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.841 -9.741 -1.821 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.534 -9.339 -1.341 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.168 -8.302 0.058 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.814 -9.941 0.310 1.00 0.00 H new ATOM 458 N ILE A 37 -7.616 -5.962 0.850 1.00 0.00 N ATOM 459 CA ILE A 37 -6.739 -4.877 1.272 1.00 0.00 C ATOM 460 C ILE A 37 -6.849 -4.633 2.773 1.00 0.00 C ATOM 461 O ILE A 37 -5.853 -4.356 3.443 1.00 0.00 O ATOM 462 CB ILE A 37 -7.062 -3.570 0.525 1.00 0.00 C ATOM 463 CG1 ILE A 37 -6.246 -2.412 1.104 1.00 0.00 C ATOM 464 CG2 ILE A 37 -8.551 -3.268 0.606 1.00 0.00 C ATOM 465 CD1 ILE A 37 -6.265 -1.170 0.241 1.00 0.00 C ATOM 0 H ILE A 37 -8.076 -5.808 -0.047 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.721 -5.182 1.030 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.792 -3.692 -0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.633 -2.164 2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -5.214 -2.736 1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -8.764 -2.341 0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.113 -4.084 0.152 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.844 -3.162 1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.667 -0.390 0.712 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -5.851 -1.402 -0.740 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -7.291 -0.821 0.128 1.00 0.00 H new ATOM 477 N LYS A 38 -8.065 -4.739 3.297 1.00 0.00 N ATOM 478 CA LYS A 38 -8.307 -4.533 4.720 1.00 0.00 C ATOM 479 C LYS A 38 -7.410 -5.435 5.560 1.00 0.00 C ATOM 480 O LYS A 38 -6.816 -4.993 6.543 1.00 0.00 O ATOM 481 CB LYS A 38 -9.776 -4.803 5.053 1.00 0.00 C ATOM 482 CG LYS A 38 -10.296 -3.981 6.219 1.00 0.00 C ATOM 483 CD LYS A 38 -11.805 -4.101 6.358 1.00 0.00 C ATOM 484 CE LYS A 38 -12.196 -5.366 7.106 1.00 0.00 C ATOM 485 NZ LYS A 38 -13.674 -5.530 7.182 1.00 0.00 N ATOM 0 H LYS A 38 -8.900 -4.967 2.757 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.072 -3.495 4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.384 -4.594 4.173 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.899 -5.862 5.282 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.817 -4.312 7.141 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.025 -2.935 6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -12.193 -3.230 6.886 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.264 -4.105 5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.760 -6.232 6.608 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.782 -5.335 8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -13.900 -6.403 7.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.088 -4.716 7.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.067 -5.585 6.221 1.00 0.00 H new ATOM 499 N GLN A 39 -7.316 -6.701 5.166 1.00 0.00 N ATOM 500 CA GLN A 39 -6.490 -7.665 5.884 1.00 0.00 C ATOM 501 C GLN A 39 -5.013 -7.299 5.782 1.00 0.00 C ATOM 502 O GLN A 39 -4.243 -7.512 6.720 1.00 0.00 O ATOM 503 CB GLN A 39 -6.717 -9.074 5.333 1.00 0.00 C ATOM 504 CG GLN A 39 -7.844 -9.823 6.025 1.00 0.00 C ATOM 505 CD GLN A 39 -7.516 -10.170 7.464 1.00 0.00 C ATOM 506 OE1 GLN A 39 -6.927 -11.215 7.744 1.00 0.00 O ATOM 507 NE2 GLN A 39 -7.896 -9.294 8.386 1.00 0.00 N ATOM 0 H GLN A 39 -7.801 -7.083 4.354 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.780 -7.642 6.934 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -6.937 -9.007 4.267 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.795 -9.647 5.433 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -8.749 -9.216 5.999 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -8.059 -10.739 5.474 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -8.382 -8.441 8.109 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.702 -9.474 9.371 1.00 0.00 H new ATOM 516 N LEU A 40 -4.623 -6.747 4.638 1.00 0.00 N ATOM 517 CA LEU A 40 -3.237 -6.351 4.413 1.00 0.00 C ATOM 518 C LEU A 40 -2.794 -5.313 5.439 1.00 0.00 C ATOM 519 O LEU A 40 -1.603 -5.167 5.714 1.00 0.00 O ATOM 520 CB LEU A 40 -3.069 -5.791 3.000 1.00 0.00 C ATOM 521 CG LEU A 40 -3.185 -6.803 1.859 1.00 0.00 C ATOM 522 CD1 LEU A 40 -3.211 -6.092 0.515 1.00 0.00 C ATOM 523 CD2 LEU A 40 -2.038 -7.802 1.914 1.00 0.00 C ATOM 0 H LEU A 40 -5.247 -6.564 3.852 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.610 -7.236 4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.818 -5.014 2.847 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.093 -5.310 2.935 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.122 -7.348 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.294 -6.828 -0.285 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.066 -5.417 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.292 -5.520 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.136 -8.514 1.095 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.090 -7.273 1.822 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.065 -8.335 2.864 1.00 0.00 H new ATOM 535 N GLN A 41 -3.761 -4.595 6.003 1.00 0.00 N ATOM 536 CA GLN A 41 -3.470 -3.572 7.000 1.00 0.00 C ATOM 537 C GLN A 41 -3.024 -4.203 8.314 1.00 0.00 C ATOM 538 O GLN A 41 -2.405 -3.546 9.151 1.00 0.00 O ATOM 539 CB GLN A 41 -4.700 -2.693 7.234 1.00 0.00 C ATOM 540 CG GLN A 41 -5.075 -1.839 6.033 1.00 0.00 C ATOM 541 CD GLN A 41 -6.292 -0.972 6.291 1.00 0.00 C ATOM 542 OE1 GLN A 41 -6.572 -0.599 7.431 1.00 0.00 O ATOM 543 NE2 GLN A 41 -7.022 -0.647 5.231 1.00 0.00 N ATOM 0 H GLN A 41 -4.752 -4.703 5.786 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.657 -2.953 6.621 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.546 -3.329 7.496 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -4.514 -2.042 8.088 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.231 -1.203 5.766 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.269 -2.486 5.178 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.752 -0.979 4.305 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.853 -0.066 5.343 1.00 0.00 H new ATOM 552 N GLU A 42 -3.343 -5.482 8.489 1.00 0.00 N ATOM 553 CA GLU A 42 -2.976 -6.201 9.703 1.00 0.00 C ATOM 554 C GLU A 42 -1.660 -6.951 9.514 1.00 0.00 C ATOM 555 O GLU A 42 -0.857 -7.059 10.441 1.00 0.00 O ATOM 556 CB GLU A 42 -4.082 -7.182 10.096 1.00 0.00 C ATOM 557 CG GLU A 42 -5.461 -6.547 10.168 1.00 0.00 C ATOM 558 CD GLU A 42 -5.712 -5.846 11.489 1.00 0.00 C ATOM 559 OE1 GLU A 42 -5.142 -4.756 11.701 1.00 0.00 O ATOM 560 OE2 GLU A 42 -6.481 -6.388 12.310 1.00 0.00 O ATOM 0 H GLU A 42 -3.854 -6.041 7.806 1.00 0.00 H new ATOM 0 HA GLU A 42 -2.847 -5.471 10.502 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -4.105 -7.999 9.375 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -3.841 -7.619 11.065 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.570 -5.830 9.354 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.219 -7.316 10.019 1.00 0.00 H new ATOM 567 N ARG A 43 -1.447 -7.466 8.308 1.00 0.00 N ATOM 568 CA ARG A 43 -0.231 -8.208 7.998 1.00 0.00 C ATOM 569 C ARG A 43 0.996 -7.307 8.102 1.00 0.00 C ATOM 570 O ARG A 43 2.094 -7.769 8.412 1.00 0.00 O ATOM 571 CB ARG A 43 -0.318 -8.807 6.593 1.00 0.00 C ATOM 572 CG ARG A 43 -1.002 -10.164 6.552 1.00 0.00 C ATOM 573 CD ARG A 43 -0.524 -10.993 5.369 1.00 0.00 C ATOM 574 NE ARG A 43 -1.131 -12.321 5.351 1.00 0.00 N ATOM 575 CZ ARG A 43 -1.080 -13.138 4.305 1.00 0.00 C ATOM 576 NH1 ARG A 43 -0.453 -12.765 3.198 1.00 0.00 N ATOM 577 NH2 ARG A 43 -1.656 -14.332 4.365 1.00 0.00 N ATOM 0 H ARG A 43 -2.101 -7.383 7.529 1.00 0.00 H new ATOM 0 HA ARG A 43 -0.132 -9.015 8.724 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.859 -8.117 5.946 1.00 0.00 H new ATOM 0 HB3 ARG A 43 0.688 -8.904 6.185 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -0.802 -10.702 7.479 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.082 -10.027 6.489 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.763 -10.473 4.442 1.00 0.00 H new ATOM 0 HD3 ARG A 43 0.561 -11.091 5.409 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.621 -12.639 6.187 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.008 -11.848 3.148 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.415 -13.395 2.396 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.139 -14.623 5.215 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.616 -14.958 3.561 1.00 0.00 H new ATOM 591 N ALA A 44 0.802 -6.018 7.840 1.00 0.00 N ATOM 592 CA ALA A 44 1.892 -5.052 7.906 1.00 0.00 C ATOM 593 C ALA A 44 1.644 -4.019 9.000 1.00 0.00 C ATOM 594 O ALA A 44 2.492 -3.170 9.269 1.00 0.00 O ATOM 595 CB ALA A 44 2.071 -4.366 6.560 1.00 0.00 C ATOM 0 H ALA A 44 -0.100 -5.619 7.580 1.00 0.00 H new ATOM 0 HA ALA A 44 2.808 -5.590 8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.888 -3.647 6.624 1.00 0.00 H new ATOM 0 HB2 ALA A 44 2.302 -5.112 5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.151 -3.847 6.291 1.00 0.00 H new ATOM 601 N GLY A 45 0.475 -4.098 9.629 1.00 0.00 N ATOM 602 CA GLY A 45 0.137 -3.163 10.686 1.00 0.00 C ATOM 603 C GLY A 45 0.119 -1.726 10.205 1.00 0.00 C ATOM 604 O GLY A 45 0.583 -0.824 10.903 1.00 0.00 O ATOM 0 H GLY A 45 -0.244 -4.793 9.425 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.841 -3.419 11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.857 -3.262 11.498 1.00 0.00 H new ATOM 608 N VAL A 46 -0.417 -1.511 9.008 1.00 0.00 N ATOM 609 CA VAL A 46 -0.494 -0.173 8.434 1.00 0.00 C ATOM 610 C VAL A 46 -1.869 0.089 7.830 1.00 0.00 C ATOM 611 O VAL A 46 -2.697 -0.816 7.729 1.00 0.00 O ATOM 612 CB VAL A 46 0.579 0.034 7.348 1.00 0.00 C ATOM 613 CG1 VAL A 46 1.973 -0.080 7.947 1.00 0.00 C ATOM 614 CG2 VAL A 46 0.392 -0.966 6.218 1.00 0.00 C ATOM 0 H VAL A 46 -0.804 -2.246 8.417 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.318 0.531 9.248 1.00 0.00 H new ATOM 0 HB VAL A 46 0.467 1.037 6.937 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.718 0.069 7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.100 0.679 8.719 1.00 0.00 H new ATOM 0 HG13 VAL A 46 2.101 -1.069 8.386 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.158 -0.806 5.460 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.477 -1.979 6.611 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.593 -0.831 5.772 1.00 0.00 H new ATOM 624 N LYS A 47 -2.106 1.333 7.429 1.00 0.00 N ATOM 625 CA LYS A 47 -3.380 1.716 6.833 1.00 0.00 C ATOM 626 C LYS A 47 -3.247 1.881 5.323 1.00 0.00 C ATOM 627 O LYS A 47 -2.450 2.690 4.846 1.00 0.00 O ATOM 628 CB LYS A 47 -3.888 3.018 7.457 1.00 0.00 C ATOM 629 CG LYS A 47 -5.403 3.121 7.499 1.00 0.00 C ATOM 630 CD LYS A 47 -5.858 4.292 8.354 1.00 0.00 C ATOM 631 CE LYS A 47 -7.322 4.625 8.110 1.00 0.00 C ATOM 632 NZ LYS A 47 -7.634 6.039 8.455 1.00 0.00 N ATOM 0 H LYS A 47 -1.431 2.094 7.506 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.099 0.921 7.031 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.498 3.101 8.471 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.490 3.861 6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.789 3.237 6.486 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.821 2.196 7.895 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.709 4.055 9.407 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.244 5.165 8.134 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.566 4.444 7.063 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.949 3.960 8.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.641 6.226 8.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.425 6.205 9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.054 6.675 7.871 1.00 0.00 H new ATOM 646 N MET A 48 -4.031 1.112 4.576 1.00 0.00 N ATOM 647 CA MET A 48 -4.001 1.176 3.119 1.00 0.00 C ATOM 648 C MET A 48 -5.233 1.898 2.581 1.00 0.00 C ATOM 649 O MET A 48 -6.365 1.474 2.817 1.00 0.00 O ATOM 650 CB MET A 48 -3.921 -0.232 2.527 1.00 0.00 C ATOM 651 CG MET A 48 -2.551 -0.875 2.670 1.00 0.00 C ATOM 652 SD MET A 48 -2.558 -2.627 2.243 1.00 0.00 S ATOM 653 CE MET A 48 -0.850 -3.060 2.566 1.00 0.00 C ATOM 0 H MET A 48 -4.695 0.437 4.955 1.00 0.00 H new ATOM 0 HA MET A 48 -3.115 1.737 2.823 1.00 0.00 H new ATOM 0 HB2 MET A 48 -4.663 -0.865 3.014 1.00 0.00 H new ATOM 0 HB3 MET A 48 -4.184 -0.188 1.470 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.840 -0.352 2.030 1.00 0.00 H new ATOM 0 HG3 MET A 48 -2.204 -0.757 3.696 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.600 -3.978 2.034 1.00 0.00 H new ATOM 0 HE2 MET A 48 -0.200 -2.254 2.225 1.00 0.00 H new ATOM 0 HE3 MET A 48 -0.709 -3.212 3.636 1.00 0.00 H new ATOM 663 N VAL A 49 -5.006 2.990 1.858 1.00 0.00 N ATOM 664 CA VAL A 49 -6.097 3.769 1.287 1.00 0.00 C ATOM 665 C VAL A 49 -5.824 4.109 -0.174 1.00 0.00 C ATOM 666 O VAL A 49 -4.806 4.720 -0.499 1.00 0.00 O ATOM 667 CB VAL A 49 -6.326 5.074 2.072 1.00 0.00 C ATOM 668 CG1 VAL A 49 -7.440 5.892 1.436 1.00 0.00 C ATOM 669 CG2 VAL A 49 -6.640 4.771 3.529 1.00 0.00 C ATOM 0 H VAL A 49 -4.076 3.355 1.654 1.00 0.00 H new ATOM 0 HA VAL A 49 -6.994 3.152 1.352 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.410 5.664 2.037 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.587 6.810 2.005 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -7.169 6.140 0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.363 5.312 1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.799 5.705 4.069 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.541 4.160 3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.806 4.231 3.976 1.00 0.00 H new ATOM 679 N MET A 50 -6.739 3.709 -1.050 1.00 0.00 N ATOM 680 CA MET A 50 -6.597 3.973 -2.477 1.00 0.00 C ATOM 681 C MET A 50 -7.040 5.393 -2.815 1.00 0.00 C ATOM 682 O MET A 50 -8.139 5.813 -2.451 1.00 0.00 O ATOM 683 CB MET A 50 -7.414 2.965 -3.288 1.00 0.00 C ATOM 684 CG MET A 50 -6.770 1.591 -3.376 1.00 0.00 C ATOM 685 SD MET A 50 -5.671 1.429 -4.796 1.00 0.00 S ATOM 686 CE MET A 50 -5.385 -0.339 -4.802 1.00 0.00 C ATOM 0 H MET A 50 -7.587 3.201 -0.797 1.00 0.00 H new ATOM 0 HA MET A 50 -5.543 3.869 -2.736 1.00 0.00 H new ATOM 0 HB2 MET A 50 -8.402 2.866 -2.839 1.00 0.00 H new ATOM 0 HB3 MET A 50 -7.559 3.354 -4.296 1.00 0.00 H new ATOM 0 HG2 MET A 50 -6.208 1.398 -2.462 1.00 0.00 H new ATOM 0 HG3 MET A 50 -7.550 0.832 -3.436 1.00 0.00 H new ATOM 0 HE1 MET A 50 -4.372 -0.545 -4.456 1.00 0.00 H new ATOM 0 HE2 MET A 50 -6.101 -0.826 -4.139 1.00 0.00 H new ATOM 0 HE3 MET A 50 -5.508 -0.724 -5.814 1.00 0.00 H new ATOM 696 N ILE A 51 -6.179 6.127 -3.510 1.00 0.00 N ATOM 697 CA ILE A 51 -6.483 7.500 -3.896 1.00 0.00 C ATOM 698 C ILE A 51 -6.941 7.574 -5.349 1.00 0.00 C ATOM 699 O ILE A 51 -6.292 7.031 -6.242 1.00 0.00 O ATOM 700 CB ILE A 51 -5.264 8.421 -3.707 1.00 0.00 C ATOM 701 CG1 ILE A 51 -4.557 8.104 -2.387 1.00 0.00 C ATOM 702 CG2 ILE A 51 -5.692 9.881 -3.747 1.00 0.00 C ATOM 703 CD1 ILE A 51 -5.257 8.677 -1.174 1.00 0.00 C ATOM 0 H ILE A 51 -5.265 5.795 -3.818 1.00 0.00 H new ATOM 0 HA ILE A 51 -7.289 7.839 -3.245 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.564 8.245 -4.524 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.481 7.022 -2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.539 8.493 -2.427 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.819 10.520 -3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.155 10.098 -4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -6.409 10.072 -2.948 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.701 8.413 -0.275 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.310 9.762 -1.263 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.266 8.269 -1.109 1.00 0.00 H new ATOM 715 N GLN A 52 -8.063 8.250 -5.576 1.00 0.00 N ATOM 716 CA GLN A 52 -8.607 8.396 -6.921 1.00 0.00 C ATOM 717 C GLN A 52 -8.062 9.651 -7.595 1.00 0.00 C ATOM 718 O GLN A 52 -7.541 9.592 -8.709 1.00 0.00 O ATOM 719 CB GLN A 52 -10.135 8.450 -6.873 1.00 0.00 C ATOM 720 CG GLN A 52 -10.792 7.080 -6.868 1.00 0.00 C ATOM 721 CD GLN A 52 -10.302 6.201 -5.734 1.00 0.00 C ATOM 722 OE1 GLN A 52 -9.750 5.124 -5.962 1.00 0.00 O ATOM 723 NE2 GLN A 52 -10.502 6.657 -4.503 1.00 0.00 N ATOM 0 H GLN A 52 -8.612 8.705 -4.847 1.00 0.00 H new ATOM 0 HA GLN A 52 -8.300 7.529 -7.506 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -10.443 8.995 -5.981 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -10.497 9.014 -7.732 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -11.872 7.200 -6.789 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -10.595 6.584 -7.818 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -10.964 7.555 -4.361 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -10.194 6.109 -3.700 1.00 0.00 H new ATOM 732 N ASP A 53 -8.188 10.784 -6.914 1.00 0.00 N ATOM 733 CA ASP A 53 -7.708 12.054 -7.447 1.00 0.00 C ATOM 734 C ASP A 53 -6.420 11.858 -8.240 1.00 0.00 C ATOM 735 O ASP A 53 -5.528 11.120 -7.823 1.00 0.00 O ATOM 736 CB ASP A 53 -7.475 13.052 -6.312 1.00 0.00 C ATOM 737 CG ASP A 53 -8.757 13.413 -5.586 1.00 0.00 C ATOM 738 OD1 ASP A 53 -9.312 12.537 -4.890 1.00 0.00 O ATOM 739 OD2 ASP A 53 -9.205 14.571 -5.714 1.00 0.00 O ATOM 0 H ASP A 53 -8.618 10.850 -5.992 1.00 0.00 H new ATOM 0 HA ASP A 53 -8.470 12.450 -8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.765 12.630 -5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.022 13.958 -6.716 1.00 0.00 H new ATOM 744 N GLY A 54 -6.330 12.524 -9.388 1.00 0.00 N ATOM 745 CA GLY A 54 -5.148 12.408 -10.222 1.00 0.00 C ATOM 746 C GLY A 54 -5.448 12.648 -11.688 1.00 0.00 C ATOM 747 O GLY A 54 -5.526 13.787 -12.150 1.00 0.00 O ATOM 0 H GLY A 54 -7.054 13.141 -9.755 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.398 13.124 -9.886 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.717 11.414 -10.100 1.00 0.00 H new ATOM 751 N PRO A 55 -5.620 11.556 -12.447 1.00 0.00 N ATOM 752 CA PRO A 55 -5.914 11.628 -13.882 1.00 0.00 C ATOM 753 C PRO A 55 -7.315 12.162 -14.160 1.00 0.00 C ATOM 754 O PRO A 55 -7.986 12.667 -13.261 1.00 0.00 O ATOM 755 CB PRO A 55 -5.796 10.172 -14.341 1.00 0.00 C ATOM 756 CG PRO A 55 -6.074 9.366 -13.120 1.00 0.00 C ATOM 757 CD PRO A 55 -5.541 10.168 -11.964 1.00 0.00 C ATOM 0 HA PRO A 55 -5.241 12.310 -14.403 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.509 9.948 -15.134 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.803 9.961 -14.737 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.143 9.183 -13.008 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -5.588 8.392 -13.176 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -6.138 10.021 -11.064 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.517 9.886 -11.717 1.00 0.00 H new ATOM 765 N GLN A 56 -7.749 12.047 -15.411 1.00 0.00 N ATOM 766 CA GLN A 56 -9.071 12.519 -15.807 1.00 0.00 C ATOM 767 C GLN A 56 -10.028 11.350 -16.013 1.00 0.00 C ATOM 768 O GLN A 56 -9.628 10.188 -15.943 1.00 0.00 O ATOM 769 CB GLN A 56 -8.977 13.348 -17.089 1.00 0.00 C ATOM 770 CG GLN A 56 -8.527 14.781 -16.855 1.00 0.00 C ATOM 771 CD GLN A 56 -9.002 15.726 -17.941 1.00 0.00 C ATOM 772 OE1 GLN A 56 -9.854 16.583 -17.705 1.00 0.00 O ATOM 773 NE2 GLN A 56 -8.451 15.576 -19.140 1.00 0.00 N ATOM 0 H GLN A 56 -7.205 11.631 -16.167 1.00 0.00 H new ATOM 0 HA GLN A 56 -9.460 13.146 -15.005 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -8.281 12.865 -17.774 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.951 13.357 -17.578 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -8.903 15.123 -15.891 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -7.439 14.812 -16.802 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.748 14.852 -19.291 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.731 16.184 -19.909 1.00 0.00 H new ATOM 782 N ASN A 57 -11.294 11.665 -16.266 1.00 0.00 N ATOM 783 CA ASN A 57 -12.309 10.639 -16.481 1.00 0.00 C ATOM 784 C ASN A 57 -11.795 9.555 -17.422 1.00 0.00 C ATOM 785 O ASN A 57 -12.240 8.408 -17.369 1.00 0.00 O ATOM 786 CB ASN A 57 -13.583 11.265 -17.053 1.00 0.00 C ATOM 787 CG ASN A 57 -14.816 10.431 -16.764 1.00 0.00 C ATOM 788 OD1 ASN A 57 -15.291 10.377 -15.629 1.00 0.00 O ATOM 789 ND2 ASN A 57 -15.341 9.776 -17.793 1.00 0.00 N ATOM 0 H ASN A 57 -11.642 12.622 -16.327 1.00 0.00 H new ATOM 0 HA ASN A 57 -12.537 10.181 -15.519 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.715 12.262 -16.633 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.473 11.385 -18.131 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -16.171 9.199 -17.660 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -14.914 9.850 -18.716 1.00 0.00 H new ATOM 796 N THR A 58 -10.853 9.925 -18.285 1.00 0.00 N ATOM 797 CA THR A 58 -10.279 8.984 -19.239 1.00 0.00 C ATOM 798 C THR A 58 -9.903 7.673 -18.560 1.00 0.00 C ATOM 799 O THR A 58 -9.938 6.610 -19.178 1.00 0.00 O ATOM 800 CB THR A 58 -9.030 9.571 -19.923 1.00 0.00 C ATOM 801 OG1 THR A 58 -8.484 8.621 -20.845 1.00 0.00 O ATOM 802 CG2 THR A 58 -7.976 9.949 -18.894 1.00 0.00 C ATOM 0 H THR A 58 -10.472 10.869 -18.343 1.00 0.00 H new ATOM 0 HA THR A 58 -11.042 8.793 -19.993 1.00 0.00 H new ATOM 0 HB THR A 58 -9.328 10.470 -20.462 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.691 9.003 -21.277 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.104 10.361 -19.401 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.385 10.694 -18.211 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.683 9.063 -18.331 1.00 0.00 H new ATOM 810 N GLY A 59 -9.544 7.754 -17.282 1.00 0.00 N ATOM 811 CA GLY A 59 -9.167 6.566 -16.540 1.00 0.00 C ATOM 812 C GLY A 59 -7.683 6.274 -16.627 1.00 0.00 C ATOM 813 O GLY A 59 -7.096 6.320 -17.708 1.00 0.00 O ATOM 0 H GLY A 59 -9.508 8.622 -16.748 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.449 6.690 -15.494 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.725 5.711 -16.921 1.00 0.00 H new ATOM 817 N ALA A 60 -7.072 5.973 -15.486 1.00 0.00 N ATOM 818 CA ALA A 60 -5.646 5.672 -15.438 1.00 0.00 C ATOM 819 C ALA A 60 -5.274 4.987 -14.128 1.00 0.00 C ATOM 820 O ALA A 60 -6.133 4.729 -13.285 1.00 0.00 O ATOM 821 CB ALA A 60 -4.832 6.945 -15.620 1.00 0.00 C ATOM 0 H ALA A 60 -7.542 5.931 -14.582 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.416 4.987 -16.254 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -3.769 6.706 -15.582 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.069 7.393 -16.585 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.074 7.649 -14.824 1.00 0.00 H new ATOM 827 N ASP A 61 -3.989 4.694 -13.964 1.00 0.00 N ATOM 828 CA ASP A 61 -3.502 4.038 -12.755 1.00 0.00 C ATOM 829 C ASP A 61 -4.111 4.674 -11.509 1.00 0.00 C ATOM 830 O ASP A 61 -4.581 5.811 -11.545 1.00 0.00 O ATOM 831 CB ASP A 61 -1.976 4.114 -12.688 1.00 0.00 C ATOM 832 CG ASP A 61 -1.404 3.274 -11.562 1.00 0.00 C ATOM 833 OD1 ASP A 61 -1.171 2.067 -11.782 1.00 0.00 O ATOM 834 OD2 ASP A 61 -1.190 3.824 -10.461 1.00 0.00 O ATOM 0 H ASP A 61 -3.265 4.900 -14.653 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.805 2.991 -12.791 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.556 3.779 -13.637 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.672 5.152 -12.554 1.00 0.00 H new ATOM 839 N LYS A 62 -4.101 3.931 -10.408 1.00 0.00 N ATOM 840 CA LYS A 62 -4.651 4.420 -9.149 1.00 0.00 C ATOM 841 C LYS A 62 -3.581 4.454 -8.063 1.00 0.00 C ATOM 842 O LYS A 62 -3.103 3.420 -7.597 1.00 0.00 O ATOM 843 CB LYS A 62 -5.819 3.538 -8.702 1.00 0.00 C ATOM 844 CG LYS A 62 -6.804 3.223 -9.815 1.00 0.00 C ATOM 845 CD LYS A 62 -7.504 4.476 -10.312 1.00 0.00 C ATOM 846 CE LYS A 62 -8.887 4.162 -10.861 1.00 0.00 C ATOM 847 NZ LYS A 62 -9.899 4.036 -9.777 1.00 0.00 N ATOM 0 H LYS A 62 -3.718 2.987 -10.362 1.00 0.00 H new ATOM 0 HA LYS A 62 -5.012 5.436 -9.310 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.425 2.604 -8.301 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -6.349 4.035 -7.889 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.279 2.746 -10.643 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.545 2.510 -9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.590 5.194 -9.496 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.901 4.947 -11.089 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.191 4.949 -11.551 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.849 3.234 -11.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -10.828 3.822 -10.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -9.623 3.268 -9.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -9.954 4.930 -9.248 1.00 0.00 H new ATOM 861 N PRO A 63 -3.195 5.670 -7.649 1.00 0.00 N ATOM 862 CA PRO A 63 -2.179 5.867 -6.611 1.00 0.00 C ATOM 863 C PRO A 63 -2.670 5.444 -5.231 1.00 0.00 C ATOM 864 O PRO A 63 -3.554 6.078 -4.654 1.00 0.00 O ATOM 865 CB PRO A 63 -1.922 7.375 -6.648 1.00 0.00 C ATOM 866 CG PRO A 63 -3.179 7.961 -7.193 1.00 0.00 C ATOM 867 CD PRO A 63 -3.723 6.946 -8.160 1.00 0.00 C ATOM 0 HA PRO A 63 -1.289 5.264 -6.793 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.703 7.764 -5.653 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.067 7.615 -7.280 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.894 8.162 -6.395 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.983 8.910 -7.692 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -4.813 6.952 -8.177 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.387 7.141 -9.178 1.00 0.00 H new ATOM 875 N LEU A 64 -2.090 4.370 -4.705 1.00 0.00 N ATOM 876 CA LEU A 64 -2.469 3.862 -3.391 1.00 0.00 C ATOM 877 C LEU A 64 -1.557 4.427 -2.306 1.00 0.00 C ATOM 878 O LEU A 64 -0.335 4.293 -2.377 1.00 0.00 O ATOM 879 CB LEU A 64 -2.412 2.334 -3.377 1.00 0.00 C ATOM 880 CG LEU A 64 -2.251 1.681 -2.004 1.00 0.00 C ATOM 881 CD1 LEU A 64 -3.522 1.841 -1.184 1.00 0.00 C ATOM 882 CD2 LEU A 64 -1.892 0.209 -2.152 1.00 0.00 C ATOM 0 H LEU A 64 -1.356 3.835 -5.168 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.490 4.182 -3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -3.325 1.952 -3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.582 2.016 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.438 2.182 -1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.388 1.370 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.736 2.901 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -4.353 1.367 -1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.781 -0.240 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.683 -0.305 -2.698 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.954 0.117 -2.700 1.00 0.00 H new ATOM 894 N ARG A 65 -2.159 5.055 -1.302 1.00 0.00 N ATOM 895 CA ARG A 65 -1.402 5.639 -0.202 1.00 0.00 C ATOM 896 C ARG A 65 -1.322 4.672 0.976 1.00 0.00 C ATOM 897 O ARG A 65 -2.339 4.151 1.434 1.00 0.00 O ATOM 898 CB ARG A 65 -2.043 6.953 0.246 1.00 0.00 C ATOM 899 CG ARG A 65 -1.123 7.824 1.086 1.00 0.00 C ATOM 900 CD ARG A 65 -1.887 8.951 1.764 1.00 0.00 C ATOM 901 NE ARG A 65 -1.027 10.092 2.066 1.00 0.00 N ATOM 902 CZ ARG A 65 -1.449 11.184 2.693 1.00 0.00 C ATOM 903 NH1 ARG A 65 -2.712 11.283 3.083 1.00 0.00 N ATOM 904 NH2 ARG A 65 -0.605 12.181 2.932 1.00 0.00 N ATOM 0 H ARG A 65 -3.169 5.172 -1.228 1.00 0.00 H new ATOM 0 HA ARG A 65 -0.391 5.839 -0.556 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -2.356 7.514 -0.635 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.943 6.731 0.819 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -0.630 7.212 1.841 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -0.340 8.243 0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.704 9.274 1.119 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.336 8.581 2.686 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.049 10.048 1.780 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.363 10.519 2.902 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -3.033 12.123 3.564 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.368 12.108 2.634 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -0.930 13.020 3.414 1.00 0.00 H new ATOM 918 N ILE A 66 -0.107 4.436 1.460 1.00 0.00 N ATOM 919 CA ILE A 66 0.105 3.533 2.584 1.00 0.00 C ATOM 920 C ILE A 66 0.733 4.264 3.766 1.00 0.00 C ATOM 921 O ILE A 66 1.937 4.520 3.784 1.00 0.00 O ATOM 922 CB ILE A 66 1.006 2.347 2.191 1.00 0.00 C ATOM 923 CG1 ILE A 66 0.390 1.576 1.022 1.00 0.00 C ATOM 924 CG2 ILE A 66 1.222 1.428 3.384 1.00 0.00 C ATOM 925 CD1 ILE A 66 1.161 0.330 0.647 1.00 0.00 C ATOM 0 H ILE A 66 0.745 4.858 1.091 1.00 0.00 H new ATOM 0 HA ILE A 66 -0.875 3.154 2.873 1.00 0.00 H new ATOM 0 HB ILE A 66 1.975 2.734 1.876 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.632 1.297 1.279 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.332 2.233 0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 66 1.861 0.595 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.700 1.985 4.190 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.261 1.045 3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.667 -0.166 -0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.176 0.603 0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 66 1.196 -0.347 1.501 1.00 0.00 H new ATOM 937 N THR A 67 -0.091 4.596 4.755 1.00 0.00 N ATOM 938 CA THR A 67 0.383 5.297 5.942 1.00 0.00 C ATOM 939 C THR A 67 0.645 4.325 7.086 1.00 0.00 C ATOM 940 O THR A 67 0.084 3.231 7.125 1.00 0.00 O ATOM 941 CB THR A 67 -0.630 6.359 6.409 1.00 0.00 C ATOM 942 OG1 THR A 67 -1.959 5.960 6.053 1.00 0.00 O ATOM 943 CG2 THR A 67 -0.319 7.713 5.788 1.00 0.00 C ATOM 0 H THR A 67 -1.090 4.391 4.757 1.00 0.00 H new ATOM 0 HA THR A 67 1.315 5.790 5.667 1.00 0.00 H new ATOM 0 HB THR A 67 -0.556 6.447 7.493 1.00 0.00 H new ATOM 0 HG1 THR A 67 -2.597 6.640 6.355 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.047 8.447 6.132 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.681 8.028 6.084 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.368 7.635 4.702 1.00 0.00 H new ATOM 951 N GLY A 68 1.503 4.732 8.017 1.00 0.00 N ATOM 952 CA GLY A 68 1.824 3.884 9.151 1.00 0.00 C ATOM 953 C GLY A 68 3.297 3.926 9.507 1.00 0.00 C ATOM 954 O GLY A 68 4.038 4.778 9.014 1.00 0.00 O ATOM 0 H GLY A 68 1.981 5.633 8.006 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.236 4.198 10.013 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.537 2.857 8.926 1.00 0.00 H new ATOM 958 N ASP A 69 3.723 3.006 10.365 1.00 0.00 N ATOM 959 CA ASP A 69 5.118 2.942 10.787 1.00 0.00 C ATOM 960 C ASP A 69 6.053 3.014 9.585 1.00 0.00 C ATOM 961 O ASP A 69 5.789 2.443 8.527 1.00 0.00 O ATOM 962 CB ASP A 69 5.376 1.656 11.574 1.00 0.00 C ATOM 963 CG ASP A 69 6.478 1.817 12.602 1.00 0.00 C ATOM 964 OD1 ASP A 69 6.312 2.642 13.525 1.00 0.00 O ATOM 965 OD2 ASP A 69 7.506 1.118 12.484 1.00 0.00 O ATOM 0 H ASP A 69 3.123 2.294 10.782 1.00 0.00 H new ATOM 0 HA ASP A 69 5.317 3.799 11.431 1.00 0.00 H new ATOM 0 HB2 ASP A 69 4.458 1.350 12.075 1.00 0.00 H new ATOM 0 HB3 ASP A 69 5.643 0.857 10.882 1.00 0.00 H new ATOM 970 N PRO A 70 7.174 3.734 9.749 1.00 0.00 N ATOM 971 CA PRO A 70 8.171 3.898 8.687 1.00 0.00 C ATOM 972 C PRO A 70 8.927 2.606 8.396 1.00 0.00 C ATOM 973 O PRO A 70 9.557 2.467 7.348 1.00 0.00 O ATOM 974 CB PRO A 70 9.120 4.957 9.254 1.00 0.00 C ATOM 975 CG PRO A 70 8.981 4.839 10.732 1.00 0.00 C ATOM 976 CD PRO A 70 7.553 4.442 10.983 1.00 0.00 C ATOM 0 HA PRO A 70 7.714 4.179 7.738 1.00 0.00 H new ATOM 0 HB2 PRO A 70 10.148 4.778 8.938 1.00 0.00 H new ATOM 0 HB3 PRO A 70 8.850 5.955 8.910 1.00 0.00 H new ATOM 0 HG2 PRO A 70 9.669 4.093 11.130 1.00 0.00 H new ATOM 0 HG3 PRO A 70 9.215 5.784 11.223 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.463 3.800 11.859 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.919 5.311 11.158 1.00 0.00 H new ATOM 984 N TYR A 71 8.859 1.664 9.330 1.00 0.00 N ATOM 985 CA TYR A 71 9.539 0.384 9.175 1.00 0.00 C ATOM 986 C TYR A 71 8.605 -0.659 8.568 1.00 0.00 C ATOM 987 O TYR A 71 9.050 -1.616 7.935 1.00 0.00 O ATOM 988 CB TYR A 71 10.061 -0.108 10.526 1.00 0.00 C ATOM 989 CG TYR A 71 10.716 -1.469 10.463 1.00 0.00 C ATOM 990 CD1 TYR A 71 9.971 -2.609 10.188 1.00 0.00 C ATOM 991 CD2 TYR A 71 12.082 -1.615 10.677 1.00 0.00 C ATOM 992 CE1 TYR A 71 10.565 -3.855 10.131 1.00 0.00 C ATOM 993 CE2 TYR A 71 12.685 -2.857 10.620 1.00 0.00 C ATOM 994 CZ TYR A 71 11.922 -3.973 10.347 1.00 0.00 C ATOM 995 OH TYR A 71 12.518 -5.212 10.289 1.00 0.00 O ATOM 0 H TYR A 71 8.340 1.763 10.202 1.00 0.00 H new ATOM 0 HA TYR A 71 10.381 0.529 8.499 1.00 0.00 H new ATOM 0 HB2 TYR A 71 10.780 0.614 10.913 1.00 0.00 H new ATOM 0 HB3 TYR A 71 9.233 -0.145 11.234 1.00 0.00 H new ATOM 0 HD1 TYR A 71 8.909 -2.520 10.016 1.00 0.00 H new ATOM 0 HD2 TYR A 71 12.682 -0.743 10.891 1.00 0.00 H new ATOM 0 HE1 TYR A 71 9.970 -4.731 9.919 1.00 0.00 H new ATOM 0 HE2 TYR A 71 13.747 -2.953 10.788 1.00 0.00 H new ATOM 0 HH TYR A 71 13.478 -5.122 10.463 1.00 0.00 H new ATOM 1005 N LYS A 72 7.305 -0.465 8.766 1.00 0.00 N ATOM 1006 CA LYS A 72 6.305 -1.386 8.238 1.00 0.00 C ATOM 1007 C LYS A 72 5.784 -0.906 6.887 1.00 0.00 C ATOM 1008 O LYS A 72 5.740 -1.668 5.921 1.00 0.00 O ATOM 1009 CB LYS A 72 5.143 -1.529 9.223 1.00 0.00 C ATOM 1010 CG LYS A 72 5.575 -1.967 10.612 1.00 0.00 C ATOM 1011 CD LYS A 72 4.457 -2.696 11.339 1.00 0.00 C ATOM 1012 CE LYS A 72 4.486 -4.189 11.051 1.00 0.00 C ATOM 1013 NZ LYS A 72 4.754 -4.472 9.614 1.00 0.00 N ATOM 0 H LYS A 72 6.919 0.322 9.288 1.00 0.00 H new ATOM 0 HA LYS A 72 6.779 -2.358 8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.621 -0.575 9.298 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.430 -2.252 8.828 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.446 -2.618 10.535 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.879 -1.095 11.191 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.550 -2.529 12.412 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.495 -2.284 11.035 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.254 -4.662 11.663 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.532 -4.632 11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.665 -5.493 9.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.067 -3.959 9.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.717 -4.162 9.373 1.00 0.00 H new ATOM 1027 N VAL A 73 5.390 0.362 6.826 1.00 0.00 N ATOM 1028 CA VAL A 73 4.874 0.944 5.593 1.00 0.00 C ATOM 1029 C VAL A 73 5.670 0.465 4.384 1.00 0.00 C ATOM 1030 O VAL A 73 5.104 0.177 3.330 1.00 0.00 O ATOM 1031 CB VAL A 73 4.909 2.483 5.640 1.00 0.00 C ATOM 1032 CG1 VAL A 73 4.783 3.064 4.240 1.00 0.00 C ATOM 1033 CG2 VAL A 73 3.809 3.013 6.547 1.00 0.00 C ATOM 0 H VAL A 73 5.418 1.006 7.617 1.00 0.00 H new ATOM 0 HA VAL A 73 3.839 0.615 5.497 1.00 0.00 H new ATOM 0 HB VAL A 73 5.869 2.795 6.051 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.810 4.152 4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 73 5.610 2.711 3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.839 2.746 3.798 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.848 4.102 6.569 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.839 2.692 6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.951 2.625 7.556 1.00 0.00 H new ATOM 1043 N GLN A 74 6.987 0.383 4.545 1.00 0.00 N ATOM 1044 CA GLN A 74 7.862 -0.061 3.466 1.00 0.00 C ATOM 1045 C GLN A 74 7.605 -1.525 3.124 1.00 0.00 C ATOM 1046 O GLN A 74 7.601 -1.907 1.955 1.00 0.00 O ATOM 1047 CB GLN A 74 9.328 0.135 3.856 1.00 0.00 C ATOM 1048 CG GLN A 74 9.693 1.582 4.142 1.00 0.00 C ATOM 1049 CD GLN A 74 9.559 2.470 2.920 1.00 0.00 C ATOM 1050 OE1 GLN A 74 8.925 3.525 2.972 1.00 0.00 O ATOM 1051 NE2 GLN A 74 10.157 2.048 1.812 1.00 0.00 N ATOM 0 H GLN A 74 7.471 0.618 5.411 1.00 0.00 H new ATOM 0 HA GLN A 74 7.645 0.542 2.584 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.544 -0.467 4.739 1.00 0.00 H new ATOM 0 HB3 GLN A 74 9.962 -0.239 3.052 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.052 1.964 4.936 1.00 0.00 H new ATOM 0 HG3 GLN A 74 10.718 1.628 4.510 1.00 0.00 H new ATOM 0 HE21 GLN A 74 10.672 1.167 1.814 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.102 2.604 0.959 1.00 0.00 H new ATOM 1060 N GLN A 75 7.393 -2.339 4.153 1.00 0.00 N ATOM 1061 CA GLN A 75 7.136 -3.762 3.961 1.00 0.00 C ATOM 1062 C GLN A 75 5.829 -3.983 3.209 1.00 0.00 C ATOM 1063 O GLN A 75 5.797 -4.668 2.187 1.00 0.00 O ATOM 1064 CB GLN A 75 7.090 -4.480 5.311 1.00 0.00 C ATOM 1065 CG GLN A 75 8.394 -4.400 6.088 1.00 0.00 C ATOM 1066 CD GLN A 75 9.331 -5.551 5.775 1.00 0.00 C ATOM 1067 OE1 GLN A 75 10.205 -5.438 4.916 1.00 0.00 O ATOM 1068 NE2 GLN A 75 9.152 -6.667 6.472 1.00 0.00 N ATOM 0 H GLN A 75 7.394 -2.038 5.128 1.00 0.00 H new ATOM 0 HA GLN A 75 7.950 -4.175 3.365 1.00 0.00 H new ATOM 0 HB2 GLN A 75 6.290 -4.050 5.914 1.00 0.00 H new ATOM 0 HB3 GLN A 75 6.838 -5.528 5.147 1.00 0.00 H new ATOM 0 HG2 GLN A 75 8.892 -3.458 5.858 1.00 0.00 H new ATOM 0 HG3 GLN A 75 8.176 -4.394 7.156 1.00 0.00 H new ATOM 0 HE21 GLN A 75 8.415 -6.717 7.175 1.00 0.00 H new ATOM 0 HE22 GLN A 75 9.752 -7.475 6.304 1.00 0.00 H new ATOM 1077 N ALA A 76 4.751 -3.398 3.721 1.00 0.00 N ATOM 1078 CA ALA A 76 3.440 -3.529 3.097 1.00 0.00 C ATOM 1079 C ALA A 76 3.501 -3.179 1.614 1.00 0.00 C ATOM 1080 O ALA A 76 3.027 -3.936 0.766 1.00 0.00 O ATOM 1081 CB ALA A 76 2.425 -2.647 3.809 1.00 0.00 C ATOM 0 H ALA A 76 4.760 -2.828 4.567 1.00 0.00 H new ATOM 0 HA ALA A 76 3.125 -4.569 3.185 1.00 0.00 H new ATOM 0 HB1 ALA A 76 1.451 -2.755 3.332 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.352 -2.947 4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.744 -1.606 3.751 1.00 0.00 H new ATOM 1087 N LYS A 77 4.086 -2.026 1.307 1.00 0.00 N ATOM 1088 CA LYS A 77 4.210 -1.574 -0.074 1.00 0.00 C ATOM 1089 C LYS A 77 4.627 -2.723 -0.987 1.00 0.00 C ATOM 1090 O LYS A 77 4.342 -2.710 -2.184 1.00 0.00 O ATOM 1091 CB LYS A 77 5.229 -0.436 -0.170 1.00 0.00 C ATOM 1092 CG LYS A 77 5.899 -0.333 -1.530 1.00 0.00 C ATOM 1093 CD LYS A 77 6.992 0.722 -1.534 1.00 0.00 C ATOM 1094 CE LYS A 77 7.950 0.528 -2.700 1.00 0.00 C ATOM 1095 NZ LYS A 77 7.455 1.187 -3.940 1.00 0.00 N ATOM 0 H LYS A 77 4.482 -1.387 1.997 1.00 0.00 H new ATOM 0 HA LYS A 77 3.236 -1.210 -0.400 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.730 0.507 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.994 -0.579 0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.324 -1.299 -1.802 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.153 -0.089 -2.287 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.542 1.713 -1.592 1.00 0.00 H new ATOM 0 HD3 LYS A 77 7.545 0.678 -0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.927 0.934 -2.438 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.086 -0.538 -2.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.266 0.465 -4.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 6.578 1.706 -3.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.175 1.850 -4.292 1.00 0.00 H new ATOM 1109 N GLU A 78 5.302 -3.714 -0.413 1.00 0.00 N ATOM 1110 CA GLU A 78 5.757 -4.870 -1.177 1.00 0.00 C ATOM 1111 C GLU A 78 4.645 -5.908 -1.307 1.00 0.00 C ATOM 1112 O GLU A 78 4.519 -6.572 -2.335 1.00 0.00 O ATOM 1113 CB GLU A 78 6.981 -5.500 -0.510 1.00 0.00 C ATOM 1114 CG GLU A 78 8.132 -4.528 -0.308 1.00 0.00 C ATOM 1115 CD GLU A 78 9.444 -5.229 -0.015 1.00 0.00 C ATOM 1116 OE1 GLU A 78 10.054 -5.767 -0.962 1.00 0.00 O ATOM 1117 OE2 GLU A 78 9.860 -5.240 1.163 1.00 0.00 O ATOM 0 H GLU A 78 5.546 -3.740 0.577 1.00 0.00 H new ATOM 0 HA GLU A 78 6.031 -4.529 -2.175 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.687 -5.908 0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.325 -6.337 -1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.244 -3.914 -1.201 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.893 -3.854 0.515 1.00 0.00 H new ATOM 1124 N MET A 79 3.842 -6.041 -0.257 1.00 0.00 N ATOM 1125 CA MET A 79 2.741 -6.997 -0.253 1.00 0.00 C ATOM 1126 C MET A 79 1.736 -6.672 -1.355 1.00 0.00 C ATOM 1127 O MET A 79 1.306 -7.556 -2.096 1.00 0.00 O ATOM 1128 CB MET A 79 2.041 -6.996 1.107 1.00 0.00 C ATOM 1129 CG MET A 79 2.677 -7.937 2.118 1.00 0.00 C ATOM 1130 SD MET A 79 1.512 -8.495 3.376 1.00 0.00 S ATOM 1131 CE MET A 79 0.931 -6.928 4.019 1.00 0.00 C ATOM 0 H MET A 79 3.933 -5.499 0.602 1.00 0.00 H new ATOM 0 HA MET A 79 3.153 -7.989 -0.441 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.049 -5.983 1.510 1.00 0.00 H new ATOM 0 HB3 MET A 79 0.997 -7.276 0.969 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.085 -8.803 1.596 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.514 -7.433 2.601 1.00 0.00 H new ATOM 0 HE1 MET A 79 1.064 -6.907 5.101 1.00 0.00 H new ATOM 0 HE2 MET A 79 1.500 -6.116 3.567 1.00 0.00 H new ATOM 0 HE3 MET A 79 -0.126 -6.807 3.781 1.00 0.00 H new ATOM 1141 N VAL A 80 1.366 -5.400 -1.456 1.00 0.00 N ATOM 1142 CA VAL A 80 0.413 -4.959 -2.468 1.00 0.00 C ATOM 1143 C VAL A 80 1.015 -5.047 -3.865 1.00 0.00 C ATOM 1144 O VAL A 80 0.406 -5.600 -4.782 1.00 0.00 O ATOM 1145 CB VAL A 80 -0.051 -3.513 -2.210 1.00 0.00 C ATOM 1146 CG1 VAL A 80 -1.241 -3.169 -3.092 1.00 0.00 C ATOM 1147 CG2 VAL A 80 -0.391 -3.317 -0.740 1.00 0.00 C ATOM 0 H VAL A 80 1.711 -4.656 -0.850 1.00 0.00 H new ATOM 0 HA VAL A 80 -0.447 -5.625 -2.404 1.00 0.00 H new ATOM 0 HB VAL A 80 0.766 -2.837 -2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.555 -2.144 -2.896 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.958 -3.268 -4.140 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -2.065 -3.849 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.717 -2.290 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -1.191 -4.001 -0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 80 0.491 -3.519 -0.132 1.00 0.00 H new ATOM 1157 N LEU A 81 2.214 -4.498 -4.022 1.00 0.00 N ATOM 1158 CA LEU A 81 2.901 -4.514 -5.309 1.00 0.00 C ATOM 1159 C LEU A 81 3.010 -5.936 -5.850 1.00 0.00 C ATOM 1160 O LEU A 81 2.828 -6.171 -7.044 1.00 0.00 O ATOM 1161 CB LEU A 81 4.295 -3.900 -5.173 1.00 0.00 C ATOM 1162 CG LEU A 81 4.348 -2.377 -5.050 1.00 0.00 C ATOM 1163 CD1 LEU A 81 5.686 -1.934 -4.478 1.00 0.00 C ATOM 1164 CD2 LEU A 81 4.102 -1.723 -6.402 1.00 0.00 C ATOM 0 H LEU A 81 2.731 -4.036 -3.274 1.00 0.00 H new ATOM 0 HA LEU A 81 2.317 -3.921 -6.012 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.777 -4.332 -4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.886 -4.195 -6.040 1.00 0.00 H new ATOM 0 HG LEU A 81 3.560 -2.060 -4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.705 -0.847 -4.398 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.823 -2.373 -3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.490 -2.264 -5.136 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.143 -0.639 -6.295 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.867 -2.047 -7.108 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.119 -2.014 -6.773 1.00 0.00 H new ATOM 1176 N GLU A 82 3.307 -6.881 -4.963 1.00 0.00 N ATOM 1177 CA GLU A 82 3.439 -8.280 -5.352 1.00 0.00 C ATOM 1178 C GLU A 82 2.077 -8.881 -5.688 1.00 0.00 C ATOM 1179 O GLU A 82 1.984 -9.862 -6.428 1.00 0.00 O ATOM 1180 CB GLU A 82 4.102 -9.084 -4.232 1.00 0.00 C ATOM 1181 CG GLU A 82 3.864 -10.581 -4.335 1.00 0.00 C ATOM 1182 CD GLU A 82 2.588 -11.018 -3.643 1.00 0.00 C ATOM 1183 OE1 GLU A 82 1.524 -11.003 -4.297 1.00 0.00 O ATOM 1184 OE2 GLU A 82 2.652 -11.375 -2.448 1.00 0.00 O ATOM 0 H GLU A 82 3.461 -6.703 -3.970 1.00 0.00 H new ATOM 0 HA GLU A 82 4.067 -8.326 -6.242 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.175 -8.893 -4.246 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.727 -8.730 -3.271 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.819 -10.866 -5.386 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.710 -11.111 -3.897 1.00 0.00 H new ATOM 1191 N LEU A 83 1.023 -8.288 -5.138 1.00 0.00 N ATOM 1192 CA LEU A 83 -0.335 -8.765 -5.378 1.00 0.00 C ATOM 1193 C LEU A 83 -0.770 -8.471 -6.810 1.00 0.00 C ATOM 1194 O LEU A 83 -1.459 -9.277 -7.437 1.00 0.00 O ATOM 1195 CB LEU A 83 -1.307 -8.112 -4.394 1.00 0.00 C ATOM 1196 CG LEU A 83 -2.626 -8.849 -4.164 1.00 0.00 C ATOM 1197 CD1 LEU A 83 -3.469 -8.842 -5.430 1.00 0.00 C ATOM 1198 CD2 LEU A 83 -2.367 -10.276 -3.702 1.00 0.00 C ATOM 0 H LEU A 83 1.082 -7.476 -4.523 1.00 0.00 H new ATOM 0 HA LEU A 83 -0.346 -9.845 -5.229 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -0.802 -8.004 -3.434 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.533 -7.107 -4.751 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.178 -8.329 -3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -4.404 -9.371 -5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -3.685 -7.813 -5.718 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -2.923 -9.337 -6.233 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -3.318 -10.785 -3.543 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.794 -10.806 -4.462 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.804 -10.260 -2.769 1.00 0.00 H new ATOM 1210 N ILE A 84 -0.362 -7.315 -7.322 1.00 0.00 N ATOM 1211 CA ILE A 84 -0.707 -6.918 -8.681 1.00 0.00 C ATOM 1212 C ILE A 84 0.239 -7.551 -9.696 1.00 0.00 C ATOM 1213 O ILE A 84 -0.022 -7.532 -10.899 1.00 0.00 O ATOM 1214 CB ILE A 84 -0.670 -5.387 -8.847 1.00 0.00 C ATOM 1215 CG1 ILE A 84 0.752 -4.864 -8.634 1.00 0.00 C ATOM 1216 CG2 ILE A 84 -1.635 -4.726 -7.874 1.00 0.00 C ATOM 1217 CD1 ILE A 84 1.062 -3.617 -9.433 1.00 0.00 C ATOM 0 H ILE A 84 0.208 -6.637 -6.816 1.00 0.00 H new ATOM 0 HA ILE A 84 -1.722 -7.271 -8.864 1.00 0.00 H new ATOM 0 HB ILE A 84 -0.980 -5.138 -9.862 1.00 0.00 H new ATOM 0 HG12 ILE A 84 0.898 -4.653 -7.575 1.00 0.00 H new ATOM 0 HG13 ILE A 84 1.462 -5.645 -8.904 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -1.598 -3.644 -8.003 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.647 -5.080 -8.069 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.352 -4.979 -6.852 1.00 0.00 H new ATOM 0 HD11 ILE A 84 2.086 -3.302 -9.233 1.00 0.00 H new ATOM 0 HD12 ILE A 84 0.948 -3.828 -10.496 1.00 0.00 H new ATOM 0 HD13 ILE A 84 0.375 -2.821 -9.146 1.00 0.00 H new ATOM 1229 N ARG A 85 1.338 -8.112 -9.202 1.00 0.00 N ATOM 1230 CA ARG A 85 2.323 -8.752 -10.066 1.00 0.00 C ATOM 1231 C ARG A 85 1.949 -10.207 -10.333 1.00 0.00 C ATOM 1232 O ARG A 85 2.810 -11.086 -10.356 1.00 0.00 O ATOM 1233 CB ARG A 85 3.713 -8.681 -9.430 1.00 0.00 C ATOM 1234 CG ARG A 85 4.440 -7.374 -9.700 1.00 0.00 C ATOM 1235 CD ARG A 85 5.930 -7.497 -9.422 1.00 0.00 C ATOM 1236 NE ARG A 85 6.644 -6.254 -9.702 1.00 0.00 N ATOM 1237 CZ ARG A 85 7.036 -5.890 -10.918 1.00 0.00 C ATOM 1238 NH1 ARG A 85 6.785 -6.669 -11.960 1.00 0.00 N ATOM 1239 NH2 ARG A 85 7.681 -4.743 -11.092 1.00 0.00 N ATOM 0 H ARG A 85 1.569 -8.136 -8.209 1.00 0.00 H new ATOM 0 HA ARG A 85 2.337 -8.218 -11.016 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.618 -8.818 -8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.317 -9.507 -9.805 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.286 -7.078 -10.738 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.017 -6.586 -9.078 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.082 -7.775 -8.379 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.347 -8.299 -10.030 1.00 0.00 H new ATOM 0 HE ARG A 85 6.853 -5.632 -8.921 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.289 -7.551 -11.830 1.00 0.00 H new ATOM 0 HH12 ARG A 85 7.087 -6.387 -12.892 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.876 -4.141 -10.292 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.982 -4.464 -12.026 1.00 0.00 H new ATOM 1253 N ASP A 86 0.659 -10.453 -10.534 1.00 0.00 N ATOM 1254 CA ASP A 86 0.170 -11.800 -10.801 1.00 0.00 C ATOM 1255 C ASP A 86 0.964 -12.833 -10.008 1.00 0.00 C ATOM 1256 O ASP A 86 1.358 -13.870 -10.541 1.00 0.00 O ATOM 1257 CB ASP A 86 0.256 -12.111 -12.296 1.00 0.00 C ATOM 1258 CG ASP A 86 -1.003 -11.717 -13.043 1.00 0.00 C ATOM 1259 OD1 ASP A 86 -1.714 -10.807 -12.568 1.00 0.00 O ATOM 1260 OD2 ASP A 86 -1.279 -12.319 -14.102 1.00 0.00 O ATOM 0 H ASP A 86 -0.067 -9.737 -10.517 1.00 0.00 H new ATOM 0 HA ASP A 86 -0.873 -11.850 -10.487 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.109 -11.585 -12.725 1.00 0.00 H new ATOM 0 HB3 ASP A 86 0.437 -13.177 -12.432 1.00 0.00 H new ATOM 1265 N GLN A 87 1.195 -12.542 -8.732 1.00 0.00 N ATOM 1266 CA GLN A 87 1.944 -13.445 -7.866 1.00 0.00 C ATOM 1267 C GLN A 87 1.028 -14.093 -6.833 1.00 0.00 C ATOM 1268 O GLN A 87 1.067 -13.751 -5.652 1.00 0.00 O ATOM 1269 CB GLN A 87 3.073 -12.692 -7.162 1.00 0.00 C ATOM 1270 CG GLN A 87 4.282 -13.559 -6.850 1.00 0.00 C ATOM 1271 CD GLN A 87 5.530 -12.744 -6.575 1.00 0.00 C ATOM 1272 OE1 GLN A 87 5.935 -12.577 -5.424 1.00 0.00 O ATOM 1273 NE2 GLN A 87 6.147 -12.232 -7.633 1.00 0.00 N ATOM 0 H GLN A 87 0.874 -11.688 -8.275 1.00 0.00 H new ATOM 0 HA GLN A 87 2.374 -14.230 -8.488 1.00 0.00 H new ATOM 0 HB2 GLN A 87 3.387 -11.857 -7.788 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.691 -12.268 -6.233 1.00 0.00 H new ATOM 0 HG2 GLN A 87 4.063 -14.183 -5.984 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.469 -14.230 -7.688 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.776 -12.396 -8.569 1.00 0.00 H new ATOM 0 HE22 GLN A 87 6.992 -11.675 -7.510 1.00 0.00 H new ATOM 1282 N GLY A 88 0.203 -15.032 -7.287 1.00 0.00 N ATOM 1283 CA GLY A 88 -0.712 -15.713 -6.389 1.00 0.00 C ATOM 1284 C GLY A 88 -0.023 -16.232 -5.143 1.00 0.00 C ATOM 1285 O GLY A 88 -0.551 -16.112 -4.038 1.00 0.00 O ATOM 0 H GLY A 88 0.152 -15.333 -8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.510 -15.029 -6.101 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.180 -16.545 -6.915 1.00 0.00 H new ATOM 1289 N SER A 89 1.159 -16.813 -5.321 1.00 0.00 N ATOM 1290 CA SER A 89 1.920 -17.358 -4.202 1.00 0.00 C ATOM 1291 C SER A 89 0.987 -17.937 -3.143 1.00 0.00 C ATOM 1292 O SER A 89 1.113 -17.635 -1.957 1.00 0.00 O ATOM 1293 CB SER A 89 2.803 -16.273 -3.582 1.00 0.00 C ATOM 1294 OG SER A 89 3.893 -16.844 -2.879 1.00 0.00 O ATOM 0 H SER A 89 1.611 -16.919 -6.229 1.00 0.00 H new ATOM 0 HA SER A 89 2.554 -18.160 -4.581 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.177 -15.612 -4.364 1.00 0.00 H new ATOM 0 HB3 SER A 89 2.209 -15.660 -2.904 1.00 0.00 H new ATOM 0 HG SER A 89 4.443 -16.131 -2.493 1.00 0.00 H new ATOM 1300 N GLY A 90 0.050 -18.772 -3.581 1.00 0.00 N ATOM 1301 CA GLY A 90 -0.891 -19.381 -2.659 1.00 0.00 C ATOM 1302 C GLY A 90 -0.203 -20.039 -1.479 1.00 0.00 C ATOM 1303 O GLY A 90 0.915 -20.543 -1.587 1.00 0.00 O ATOM 0 H GLY A 90 -0.074 -19.038 -4.558 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.582 -18.621 -2.295 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.486 -20.124 -3.190 1.00 0.00 H new ATOM 1307 N PRO A 91 -0.878 -20.038 -0.320 1.00 0.00 N ATOM 1308 CA PRO A 91 -0.343 -20.634 0.908 1.00 0.00 C ATOM 1309 C PRO A 91 -0.279 -22.156 0.833 1.00 0.00 C ATOM 1310 O PRO A 91 -1.261 -22.811 0.482 1.00 0.00 O ATOM 1311 CB PRO A 91 -1.342 -20.193 1.981 1.00 0.00 C ATOM 1312 CG PRO A 91 -2.613 -19.959 1.241 1.00 0.00 C ATOM 1313 CD PRO A 91 -2.215 -19.455 -0.118 1.00 0.00 C ATOM 0 HA PRO A 91 0.681 -20.316 1.103 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -1.465 -20.959 2.747 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -1.006 -19.288 2.487 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -3.193 -20.878 1.162 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -3.238 -19.232 1.759 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -2.915 -19.779 -0.888 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -2.188 -18.366 -0.150 1.00 0.00 H new ATOM 1321 N SER A 92 0.881 -22.712 1.166 1.00 0.00 N ATOM 1322 CA SER A 92 1.073 -24.157 1.133 1.00 0.00 C ATOM 1323 C SER A 92 2.446 -24.535 1.681 1.00 0.00 C ATOM 1324 O SER A 92 3.464 -23.971 1.279 1.00 0.00 O ATOM 1325 CB SER A 92 0.920 -24.681 -0.296 1.00 0.00 C ATOM 1326 OG SER A 92 2.127 -24.538 -1.024 1.00 0.00 O ATOM 0 H SER A 92 1.702 -22.184 1.462 1.00 0.00 H new ATOM 0 HA SER A 92 0.310 -24.614 1.763 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.628 -25.731 -0.272 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.120 -24.139 -0.802 1.00 0.00 H new ATOM 0 HG SER A 92 2.003 -24.882 -1.933 1.00 0.00 H new ATOM 1332 N SER A 93 2.465 -25.494 2.601 1.00 0.00 N ATOM 1333 CA SER A 93 3.712 -25.946 3.208 1.00 0.00 C ATOM 1334 C SER A 93 4.615 -24.762 3.541 1.00 0.00 C ATOM 1335 O SER A 93 5.819 -24.797 3.294 1.00 0.00 O ATOM 1336 CB SER A 93 4.441 -26.909 2.269 1.00 0.00 C ATOM 1337 OG SER A 93 4.702 -26.301 1.016 1.00 0.00 O ATOM 0 H SER A 93 1.632 -25.973 2.942 1.00 0.00 H new ATOM 0 HA SER A 93 3.468 -26.467 4.134 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.379 -27.226 2.725 1.00 0.00 H new ATOM 0 HB3 SER A 93 3.838 -27.805 2.123 1.00 0.00 H new ATOM 0 HG SER A 93 4.641 -25.327 1.106 1.00 0.00 H new ATOM 1343 N GLY A 94 4.021 -23.714 4.104 1.00 0.00 N ATOM 1344 CA GLY A 94 4.785 -22.533 4.462 1.00 0.00 C ATOM 1345 C GLY A 94 4.417 -21.327 3.621 1.00 0.00 C ATOM 1346 O GLY A 94 4.678 -21.298 2.419 1.00 0.00 O ATOM 0 H GLY A 94 3.025 -23.662 4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 94 4.619 -22.302 5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.848 -22.743 4.345 1.00 0.00 H new TER 1350 GLY A 94