USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 860 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 7 ASN : amide:sc= -0.202 K(o=0.96,f=-0.41!) USER MOD Set 1.2: B 3 U O2' : rot -38:sc= 1.16 USER MOD Set 2.1: A 59 ASN : amide:sc= -0.811 K(o=-1.1,f=-6.8!) USER MOD Set 2.2: A 62 ASN : amide:sc= -0.251 K(o=-1.1,f=-4.1) USER MOD Set 3.1: A 47 SER OG : rot -103:sc= 0.301 USER MOD Set 3.2: A 49 HIS : no HD1:sc= -1.37 X(o=-1.1,f=-1.5) USER MOD Set 4.1: A 39 LYS NZ :NH3+ -147:sc= 0.626 (180deg=-0.1) USER MOD Set 4.2: A 40 TYR OH : rot -155:sc= 1.04 USER MOD Set 5.1: A 4 ASN : amide:sc= 0.733 K(o=1.5,f=-3.3) USER MOD Set 5.2: A 30 LYS NZ :NH3+ -169:sc= 0.789 (180deg=-0.222) USER MOD Set 6.1: A 16 SER OG : rot 180:sc= -0.13 USER MOD Set 6.2: A 56 GLN : amide:sc= 1.34 K(o=1.2,f=-3.4!) USER MOD Single : A 3 SER OG : rot -79:sc= 0.113 USER MOD Single : A 6 THR OG1 : rot 76:sc= 1.27 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 MET CE :methyl -141:sc= -0.356 (180deg=-1.52) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 22 ASN : amide:sc= 0.908 K(o=0.91,f=-0.0071) USER MOD Single : A 24 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.62) USER MOD Single : A 25 THR OG1 : rot -6:sc= 0.811 USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= 1.16 (180deg=1.04) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -33:sc= 0.222 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 CYS SG : rot 21:sc= 0.111 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -19:sc= 0.353 USER MOD Single : A 74 MET CE :methyl -117:sc= -0.846 (180deg=-1.17) USER MOD Single : A 78 GLN :FLIP amide:sc= -0.0218 F(o=-0.73,f=-0.022) USER MOD Single : A 83 ASN : amide:sc= 1.13 K(o=1.1,f=-0.084) USER MOD Single : A 89 LYS NZ :NH3+ 164:sc= 1.23 (180deg=1.11) USER MOD Single : A 91 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.013) USER MOD Single : A 94 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.073) USER MOD Single : A 98 LYS NZ :NH3+ 168:sc=-0.00397 (180deg=-0.181) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 MET CE :methyl -163:sc= -0.0262 (180deg=-0.356) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : B 1 U O2' : rot -34:sc= 0.993 USER MOD Single : B 1 U O5' : rot 180:sc= -0.0671 USER MOD Single : B 2 U O2' : rot 20:sc= 0.1 USER MOD Single : B 4 U O2' : rot 146:sc= 0.288 USER MOD Single : B 5 C O2' : rot 180:sc= 0 USER MOD Single : B 5 C O3' : rot 139:sc= 0.102 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 10.117 9.374 -6.017 1.00 0.00 N ATOM 2 CA ALA A 2 9.095 9.324 -4.954 1.00 0.00 C ATOM 3 C ALA A 2 9.653 9.878 -3.644 1.00 0.00 C ATOM 4 O ALA A 2 10.827 9.686 -3.334 1.00 0.00 O ATOM 5 CB ALA A 2 8.574 7.899 -4.768 1.00 0.00 C ATOM 0 HA ALA A 2 8.256 9.951 -5.257 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.822 7.887 -3.979 1.00 0.00 H new ATOM 0 HB2 ALA A 2 8.129 7.550 -5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.400 7.243 -4.492 1.00 0.00 H new ATOM 13 N SER A 3 8.807 10.572 -2.873 1.00 0.00 N ATOM 14 CA SER A 3 9.187 11.125 -1.581 1.00 0.00 C ATOM 15 C SER A 3 9.150 10.052 -0.494 1.00 0.00 C ATOM 16 O SER A 3 8.617 8.965 -0.709 1.00 0.00 O ATOM 17 CB SER A 3 8.251 12.276 -1.221 1.00 0.00 C ATOM 18 OG SER A 3 6.936 11.791 -1.062 1.00 0.00 O ATOM 0 H SER A 3 7.840 10.763 -3.134 1.00 0.00 H new ATOM 0 HA SER A 3 10.209 11.498 -1.649 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.586 12.755 -0.301 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.276 13.035 -2.003 1.00 0.00 H new ATOM 0 HG SER A 3 6.526 11.663 -1.943 1.00 0.00 H new ATOM 24 N ASN A 4 9.715 10.360 0.676 1.00 0.00 N ATOM 25 CA ASN A 4 9.690 9.457 1.818 1.00 0.00 C ATOM 26 C ASN A 4 8.389 9.614 2.609 1.00 0.00 C ATOM 27 O ASN A 4 8.183 8.919 3.602 1.00 0.00 O ATOM 28 CB ASN A 4 10.901 9.734 2.715 1.00 0.00 C ATOM 29 CG ASN A 4 12.221 9.388 2.037 1.00 0.00 C ATOM 30 OD1 ASN A 4 12.251 8.694 1.022 1.00 0.00 O ATOM 31 ND2 ASN A 4 13.324 9.871 2.598 1.00 0.00 N ATOM 0 H ASN A 4 10.200 11.240 0.853 1.00 0.00 H new ATOM 0 HA ASN A 4 9.738 8.430 1.457 1.00 0.00 H new ATOM 0 HB2 ASN A 4 10.906 10.787 2.998 1.00 0.00 H new ATOM 0 HB3 ASN A 4 10.807 9.157 3.635 1.00 0.00 H new ATOM 0 HD21 ASN A 4 14.235 9.670 2.187 1.00 0.00 H new ATOM 0 HD22 ASN A 4 13.259 10.443 3.440 1.00 0.00 H new ATOM 38 N VAL A 5 7.511 10.524 2.181 1.00 0.00 N ATOM 39 CA VAL A 5 6.290 10.847 2.907 1.00 0.00 C ATOM 40 C VAL A 5 5.107 10.053 2.374 1.00 0.00 C ATOM 41 O VAL A 5 4.890 9.980 1.164 1.00 0.00 O ATOM 42 CB VAL A 5 6.046 12.359 2.866 1.00 0.00 C ATOM 43 CG1 VAL A 5 4.728 12.722 3.548 1.00 0.00 C ATOM 44 CG2 VAL A 5 7.183 13.076 3.598 1.00 0.00 C ATOM 0 H VAL A 5 7.631 11.056 1.319 1.00 0.00 H new ATOM 0 HA VAL A 5 6.408 10.557 3.951 1.00 0.00 H new ATOM 0 HB VAL A 5 6.003 12.667 1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.581 13.801 3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 5 3.905 12.222 3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 5 4.757 12.402 4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 5 7.012 14.152 3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 5 7.217 12.740 4.635 1.00 0.00 H new ATOM 0 HG23 VAL A 5 8.131 12.847 3.111 1.00 0.00 H new ATOM 54 N THR A 6 4.341 9.460 3.292 1.00 0.00 N ATOM 55 CA THR A 6 3.188 8.629 2.965 1.00 0.00 C ATOM 56 C THR A 6 2.105 8.738 4.038 1.00 0.00 C ATOM 57 O THR A 6 1.172 7.942 4.041 1.00 0.00 O ATOM 58 CB THR A 6 3.609 7.157 2.817 1.00 0.00 C ATOM 59 OG1 THR A 6 4.213 6.696 4.006 1.00 0.00 O ATOM 60 CG2 THR A 6 4.614 6.953 1.685 1.00 0.00 C ATOM 0 H THR A 6 4.509 9.546 4.294 1.00 0.00 H new ATOM 0 HA THR A 6 2.783 8.989 2.019 1.00 0.00 H new ATOM 0 HB THR A 6 2.699 6.600 2.595 1.00 0.00 H new ATOM 0 HG1 THR A 6 3.522 6.532 4.681 1.00 0.00 H new ATOM 0 HG21 THR A 6 4.880 5.898 1.621 1.00 0.00 H new ATOM 0 HG22 THR A 6 4.170 7.273 0.742 1.00 0.00 H new ATOM 0 HG23 THR A 6 5.510 7.542 1.883 1.00 0.00 H new ATOM 68 N ASN A 7 2.203 9.708 4.954 1.00 0.00 N ATOM 69 CA ASN A 7 1.275 9.806 6.073 1.00 0.00 C ATOM 70 C ASN A 7 0.333 11.008 5.950 1.00 0.00 C ATOM 71 O ASN A 7 -0.053 11.603 6.956 1.00 0.00 O ATOM 72 CB ASN A 7 2.054 9.779 7.389 1.00 0.00 C ATOM 73 CG ASN A 7 1.158 9.505 8.590 1.00 0.00 C ATOM 74 OD1 ASN A 7 0.008 9.095 8.449 1.00 0.00 O ATOM 75 ND2 ASN A 7 1.685 9.730 9.789 1.00 0.00 N ATOM 0 H ASN A 7 2.919 10.435 4.937 1.00 0.00 H new ATOM 0 HA ASN A 7 0.616 8.938 6.058 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.828 9.013 7.334 1.00 0.00 H new ATOM 0 HB3 ASN A 7 2.560 10.734 7.528 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.131 9.562 10.629 1.00 0.00 H new ATOM 0 HD22 ASN A 7 2.643 10.070 9.869 1.00 0.00 H new ATOM 82 N LYS A 8 -0.043 11.377 4.720 1.00 0.00 N ATOM 83 CA LYS A 8 -1.003 12.449 4.496 1.00 0.00 C ATOM 84 C LYS A 8 -2.402 11.953 4.853 1.00 0.00 C ATOM 85 O LYS A 8 -2.746 10.807 4.565 1.00 0.00 O ATOM 86 CB LYS A 8 -0.927 12.935 3.045 1.00 0.00 C ATOM 87 CG LYS A 8 0.447 13.561 2.783 1.00 0.00 C ATOM 88 CD LYS A 8 0.495 14.216 1.404 1.00 0.00 C ATOM 89 CE LYS A 8 0.316 13.179 0.295 1.00 0.00 C ATOM 90 NZ LYS A 8 0.341 13.814 -1.038 1.00 0.00 N ATOM 0 H LYS A 8 0.308 10.944 3.866 1.00 0.00 H new ATOM 0 HA LYS A 8 -0.766 13.299 5.135 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.094 12.102 2.363 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.713 13.666 2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.665 14.304 3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 8 1.219 12.795 2.853 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.287 14.971 1.329 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.448 14.730 1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.108 12.433 0.360 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -0.629 12.654 0.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 0.217 13.087 -1.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.430 14.509 -1.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.253 14.294 -1.177 1.00 0.00 H new ATOM 104 N THR A 9 -3.205 12.812 5.476 1.00 0.00 N ATOM 105 CA THR A 9 -4.509 12.440 6.016 1.00 0.00 C ATOM 106 C THR A 9 -5.657 13.191 5.344 1.00 0.00 C ATOM 107 O THR A 9 -6.777 13.184 5.853 1.00 0.00 O ATOM 108 CB THR A 9 -4.533 12.656 7.532 1.00 0.00 C ATOM 109 OG1 THR A 9 -4.230 14.003 7.823 1.00 0.00 O ATOM 110 CG2 THR A 9 -3.507 11.762 8.224 1.00 0.00 C ATOM 0 H THR A 9 -2.967 13.793 5.621 1.00 0.00 H new ATOM 0 HA THR A 9 -4.659 11.382 5.801 1.00 0.00 H new ATOM 0 HB THR A 9 -5.529 12.404 7.897 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.247 14.140 8.793 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.542 11.933 9.300 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.735 10.717 8.015 1.00 0.00 H new ATOM 0 HG23 THR A 9 -2.510 11.997 7.852 1.00 0.00 H new ATOM 118 N ASP A 10 -5.397 13.840 4.206 1.00 0.00 N ATOM 119 CA ASP A 10 -6.429 14.586 3.501 1.00 0.00 C ATOM 120 C ASP A 10 -7.496 13.652 2.935 1.00 0.00 C ATOM 121 O ASP A 10 -7.230 12.470 2.718 1.00 0.00 O ATOM 122 CB ASP A 10 -5.797 15.440 2.401 1.00 0.00 C ATOM 123 CG ASP A 10 -4.770 16.412 2.976 1.00 0.00 C ATOM 124 OD1 ASP A 10 -5.178 17.533 3.347 1.00 0.00 O ATOM 125 OD2 ASP A 10 -3.583 16.021 3.041 1.00 0.00 O ATOM 0 H ASP A 10 -4.481 13.861 3.758 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.925 15.249 4.210 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -5.318 14.794 1.666 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.574 15.996 1.877 1.00 0.00 H new ATOM 130 N PRO A 11 -8.708 14.175 2.694 1.00 0.00 N ATOM 131 CA PRO A 11 -9.873 13.402 2.288 1.00 0.00 C ATOM 132 C PRO A 11 -9.705 12.652 0.967 1.00 0.00 C ATOM 133 O PRO A 11 -10.592 11.894 0.579 1.00 0.00 O ATOM 134 CB PRO A 11 -11.018 14.411 2.190 1.00 0.00 C ATOM 135 CG PRO A 11 -10.566 15.577 3.064 1.00 0.00 C ATOM 136 CD PRO A 11 -9.062 15.575 2.844 1.00 0.00 C ATOM 0 HA PRO A 11 -10.055 12.614 3.019 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.184 14.726 1.160 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -11.956 13.985 2.548 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.022 16.518 2.756 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -10.825 15.425 4.112 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -8.792 16.148 1.957 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -8.539 16.027 3.687 1.00 0.00 H new ATOM 144 N ARG A 12 -8.582 12.850 0.267 1.00 0.00 N ATOM 145 CA ARG A 12 -8.306 12.172 -0.993 1.00 0.00 C ATOM 146 C ARG A 12 -6.885 11.616 -1.007 1.00 0.00 C ATOM 147 O ARG A 12 -6.616 10.618 -1.674 1.00 0.00 O ATOM 148 CB ARG A 12 -8.520 13.169 -2.138 1.00 0.00 C ATOM 149 CG ARG A 12 -9.240 12.533 -3.329 1.00 0.00 C ATOM 150 CD ARG A 12 -8.418 11.450 -4.029 1.00 0.00 C ATOM 151 NE ARG A 12 -9.162 10.882 -5.162 1.00 0.00 N ATOM 152 CZ ARG A 12 -9.159 11.381 -6.399 1.00 0.00 C ATOM 153 NH1 ARG A 12 -8.453 12.465 -6.699 1.00 0.00 N ATOM 154 NH2 ARG A 12 -9.873 10.786 -7.351 1.00 0.00 N ATOM 0 H ARG A 12 -7.842 13.486 0.563 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.984 11.327 -1.115 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.100 14.018 -1.775 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.555 13.558 -2.464 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.180 12.101 -2.987 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.491 13.311 -4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -7.477 11.872 -4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.168 10.661 -3.320 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.721 10.046 -4.990 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.901 12.930 -5.978 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -8.462 12.833 -7.650 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.419 9.952 -7.133 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.874 11.163 -8.299 1.00 0.00 H new ATOM 168 N SER A 13 -5.969 12.254 -0.274 1.00 0.00 N ATOM 169 CA SER A 13 -4.578 11.833 -0.245 1.00 0.00 C ATOM 170 C SER A 13 -4.393 10.570 0.586 1.00 0.00 C ATOM 171 O SER A 13 -3.382 9.888 0.434 1.00 0.00 O ATOM 172 CB SER A 13 -3.708 12.957 0.308 1.00 0.00 C ATOM 173 OG SER A 13 -3.889 14.129 -0.458 1.00 0.00 O ATOM 0 H SER A 13 -6.173 13.067 0.307 1.00 0.00 H new ATOM 0 HA SER A 13 -4.273 11.606 -1.267 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.967 13.150 1.349 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.660 12.659 0.290 1.00 0.00 H new ATOM 0 HG SER A 13 -3.328 14.846 -0.096 1.00 0.00 H new ATOM 179 N MET A 14 -5.346 10.238 1.461 1.00 0.00 N ATOM 180 CA MET A 14 -5.272 8.980 2.187 1.00 0.00 C ATOM 181 C MET A 14 -6.023 7.859 1.470 1.00 0.00 C ATOM 182 O MET A 14 -6.008 6.716 1.924 1.00 0.00 O ATOM 183 CB MET A 14 -5.711 9.160 3.641 1.00 0.00 C ATOM 184 CG MET A 14 -7.227 9.131 3.828 1.00 0.00 C ATOM 185 SD MET A 14 -7.743 9.061 5.565 1.00 0.00 S ATOM 186 CE MET A 14 -6.924 7.528 6.088 1.00 0.00 C ATOM 0 H MET A 14 -6.160 10.813 1.677 1.00 0.00 H new ATOM 0 HA MET A 14 -4.228 8.667 2.209 1.00 0.00 H new ATOM 0 HB2 MET A 14 -5.263 8.373 4.248 1.00 0.00 H new ATOM 0 HB3 MET A 14 -5.325 10.109 4.014 1.00 0.00 H new ATOM 0 HG2 MET A 14 -7.659 10.018 3.365 1.00 0.00 H new ATOM 0 HG3 MET A 14 -7.633 8.267 3.302 1.00 0.00 H new ATOM 0 HE1 MET A 14 -7.581 6.975 6.759 1.00 0.00 H new ATOM 0 HE2 MET A 14 -6.702 6.917 5.213 1.00 0.00 H new ATOM 0 HE3 MET A 14 -5.996 7.770 6.607 1.00 0.00 H new ATOM 196 N ASN A 15 -6.682 8.177 0.349 1.00 0.00 N ATOM 197 CA ASN A 15 -7.364 7.185 -0.465 1.00 0.00 C ATOM 198 C ASN A 15 -6.527 6.849 -1.697 1.00 0.00 C ATOM 199 O ASN A 15 -6.696 5.784 -2.287 1.00 0.00 O ATOM 200 CB ASN A 15 -8.753 7.696 -0.854 1.00 0.00 C ATOM 201 CG ASN A 15 -9.680 7.772 0.352 1.00 0.00 C ATOM 202 OD1 ASN A 15 -10.390 6.818 0.653 1.00 0.00 O ATOM 203 ND2 ASN A 15 -9.682 8.899 1.053 1.00 0.00 N ATOM 0 H ASN A 15 -6.753 9.129 -0.011 1.00 0.00 H new ATOM 0 HA ASN A 15 -7.490 6.269 0.111 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -8.664 8.683 -1.308 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -9.187 7.037 -1.606 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -10.286 8.991 1.869 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -9.079 9.673 0.775 1.00 0.00 H new ATOM 210 N SER A 16 -5.620 7.748 -2.088 1.00 0.00 N ATOM 211 CA SER A 16 -4.654 7.492 -3.145 1.00 0.00 C ATOM 212 C SER A 16 -3.428 6.758 -2.601 1.00 0.00 C ATOM 213 O SER A 16 -2.456 6.554 -3.323 1.00 0.00 O ATOM 214 CB SER A 16 -4.274 8.807 -3.821 1.00 0.00 C ATOM 215 OG SER A 16 -3.733 9.703 -2.879 1.00 0.00 O ATOM 0 H SER A 16 -5.540 8.677 -1.674 1.00 0.00 H new ATOM 0 HA SER A 16 -5.106 6.840 -3.893 1.00 0.00 H new ATOM 0 HB2 SER A 16 -3.549 8.620 -4.613 1.00 0.00 H new ATOM 0 HB3 SER A 16 -5.153 9.249 -4.291 1.00 0.00 H new ATOM 0 HG SER A 16 -3.492 10.541 -3.326 1.00 0.00 H new ATOM 221 N ARG A 17 -3.473 6.357 -1.326 1.00 0.00 N ATOM 222 CA ARG A 17 -2.405 5.607 -0.681 1.00 0.00 C ATOM 223 C ARG A 17 -2.770 4.130 -0.606 1.00 0.00 C ATOM 224 O ARG A 17 -3.948 3.777 -0.583 1.00 0.00 O ATOM 225 CB ARG A 17 -2.146 6.180 0.708 1.00 0.00 C ATOM 226 CG ARG A 17 -0.994 5.432 1.385 1.00 0.00 C ATOM 227 CD ARG A 17 -0.403 6.247 2.526 1.00 0.00 C ATOM 228 NE ARG A 17 -1.404 6.590 3.541 1.00 0.00 N ATOM 229 CZ ARG A 17 -1.899 7.815 3.717 1.00 0.00 C ATOM 230 NH1 ARG A 17 -1.577 8.819 2.905 1.00 0.00 N ATOM 231 NH2 ARG A 17 -2.734 8.049 4.723 1.00 0.00 N ATOM 0 H ARG A 17 -4.264 6.549 -0.711 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.492 5.696 -1.269 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.905 7.240 0.632 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -3.047 6.100 1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.352 4.475 1.765 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.218 5.213 0.651 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.405 5.683 2.992 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.035 7.162 2.127 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.742 5.845 4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -0.938 8.660 2.126 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -1.970 9.747 3.061 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -2.994 7.293 5.357 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -3.116 8.985 4.862 1.00 0.00 H new ATOM 245 N VAL A 18 -1.755 3.264 -0.564 1.00 0.00 N ATOM 246 CA VAL A 18 -1.939 1.830 -0.442 1.00 0.00 C ATOM 247 C VAL A 18 -1.108 1.300 0.716 1.00 0.00 C ATOM 248 O VAL A 18 0.078 1.592 0.834 1.00 0.00 O ATOM 249 CB VAL A 18 -1.553 1.136 -1.749 1.00 0.00 C ATOM 250 CG1 VAL A 18 -1.749 -0.373 -1.622 1.00 0.00 C ATOM 251 CG2 VAL A 18 -2.447 1.652 -2.869 1.00 0.00 C ATOM 0 H VAL A 18 -0.777 3.548 -0.615 1.00 0.00 H new ATOM 0 HA VAL A 18 -2.989 1.619 -0.241 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.506 1.348 -1.968 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.471 -0.856 -2.559 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.122 -0.755 -0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.795 -0.587 -1.400 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -2.178 1.162 -3.805 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.489 1.435 -2.632 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.315 2.729 -2.973 1.00 0.00 H new ATOM 261 N PHE A 19 -1.765 0.513 1.566 1.00 0.00 N ATOM 262 CA PHE A 19 -1.151 -0.176 2.687 1.00 0.00 C ATOM 263 C PHE A 19 -0.673 -1.553 2.228 1.00 0.00 C ATOM 264 O PHE A 19 -1.426 -2.286 1.592 1.00 0.00 O ATOM 265 CB PHE A 19 -2.196 -0.277 3.798 1.00 0.00 C ATOM 266 CG PHE A 19 -1.781 -1.092 4.998 1.00 0.00 C ATOM 267 CD1 PHE A 19 -0.538 -0.887 5.612 1.00 0.00 C ATOM 268 CD2 PHE A 19 -2.661 -2.060 5.502 1.00 0.00 C ATOM 269 CE1 PHE A 19 -0.174 -1.653 6.730 1.00 0.00 C ATOM 270 CE2 PHE A 19 -2.299 -2.823 6.621 1.00 0.00 C ATOM 271 CZ PHE A 19 -1.056 -2.625 7.229 1.00 0.00 C ATOM 0 H PHE A 19 -2.766 0.336 1.487 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.282 0.363 3.065 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.447 0.730 4.132 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -3.105 -0.710 3.381 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.139 -0.140 5.225 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.618 -2.218 5.028 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.783 -1.495 7.206 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -2.980 -3.564 7.013 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.773 -3.221 8.084 1.00 0.00 H new ATOM 281 N ILE A 20 0.575 -1.906 2.553 1.00 0.00 N ATOM 282 CA ILE A 20 1.168 -3.188 2.183 1.00 0.00 C ATOM 283 C ILE A 20 1.595 -3.896 3.460 1.00 0.00 C ATOM 284 O ILE A 20 2.748 -3.809 3.878 1.00 0.00 O ATOM 285 CB ILE A 20 2.353 -2.970 1.231 1.00 0.00 C ATOM 286 CG1 ILE A 20 1.902 -2.259 -0.050 1.00 0.00 C ATOM 287 CG2 ILE A 20 3.015 -4.306 0.870 1.00 0.00 C ATOM 288 CD1 ILE A 20 3.099 -1.631 -0.763 1.00 0.00 C ATOM 0 H ILE A 20 1.204 -1.303 3.084 1.00 0.00 H new ATOM 0 HA ILE A 20 0.445 -3.809 1.654 1.00 0.00 H new ATOM 0 HB ILE A 20 3.079 -2.342 1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.408 -2.970 -0.713 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.171 -1.488 0.193 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.852 -4.127 0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.378 -4.789 1.777 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.286 -4.953 0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.761 -1.131 -1.670 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.575 -0.905 -0.104 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.816 -2.409 -1.024 1.00 0.00 H new ATOM 300 N GLY A 21 0.654 -4.601 4.084 1.00 0.00 N ATOM 301 CA GLY A 21 0.920 -5.357 5.292 1.00 0.00 C ATOM 302 C GLY A 21 1.431 -6.754 4.969 1.00 0.00 C ATOM 303 O GLY A 21 1.494 -7.151 3.805 1.00 0.00 O ATOM 0 H GLY A 21 -0.312 -4.660 3.762 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.656 -4.830 5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.009 -5.429 5.886 1.00 0.00 H new ATOM 307 N ASN A 22 1.799 -7.503 6.012 1.00 0.00 N ATOM 308 CA ASN A 22 2.307 -8.860 5.876 1.00 0.00 C ATOM 309 C ASN A 22 3.443 -8.913 4.848 1.00 0.00 C ATOM 310 O ASN A 22 3.498 -9.817 4.022 1.00 0.00 O ATOM 311 CB ASN A 22 1.152 -9.818 5.566 1.00 0.00 C ATOM 312 CG ASN A 22 1.477 -11.268 5.893 1.00 0.00 C ATOM 313 OD1 ASN A 22 1.362 -11.692 7.039 1.00 0.00 O ATOM 314 ND2 ASN A 22 1.886 -12.042 4.893 1.00 0.00 N ATOM 0 H ASN A 22 1.750 -7.178 6.978 1.00 0.00 H new ATOM 0 HA ASN A 22 2.744 -9.190 6.818 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.272 -9.512 6.132 1.00 0.00 H new ATOM 0 HB3 ASN A 22 0.895 -9.738 4.510 1.00 0.00 H new ATOM 0 HD21 ASN A 22 2.115 -13.021 5.066 1.00 0.00 H new ATOM 0 HD22 ASN A 22 1.971 -11.657 3.952 1.00 0.00 H new ATOM 321 N LEU A 23 4.348 -7.930 4.903 1.00 0.00 N ATOM 322 CA LEU A 23 5.481 -7.823 3.996 1.00 0.00 C ATOM 323 C LEU A 23 6.724 -8.408 4.668 1.00 0.00 C ATOM 324 O LEU A 23 6.874 -8.306 5.886 1.00 0.00 O ATOM 325 CB LEU A 23 5.641 -6.349 3.610 1.00 0.00 C ATOM 326 CG LEU A 23 6.793 -6.069 2.642 1.00 0.00 C ATOM 327 CD1 LEU A 23 6.623 -6.806 1.315 1.00 0.00 C ATOM 328 CD2 LEU A 23 6.846 -4.574 2.361 1.00 0.00 C ATOM 0 H LEU A 23 4.308 -7.178 5.591 1.00 0.00 H new ATOM 0 HA LEU A 23 5.325 -8.394 3.081 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.711 -6.001 3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.794 -5.763 4.517 1.00 0.00 H new ATOM 0 HG LEU A 23 7.713 -6.420 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.464 -6.576 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.588 -7.880 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.696 -6.488 0.838 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.664 -4.362 1.672 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.904 -4.254 1.916 1.00 0.00 H new ATOM 0 HD23 LEU A 23 7.008 -4.034 3.294 1.00 0.00 H new ATOM 340 N ASN A 24 7.621 -9.020 3.886 1.00 0.00 N ATOM 341 CA ASN A 24 8.814 -9.645 4.446 1.00 0.00 C ATOM 342 C ASN A 24 9.782 -8.596 4.995 1.00 0.00 C ATOM 343 O ASN A 24 10.421 -8.828 6.017 1.00 0.00 O ATOM 344 CB ASN A 24 9.499 -10.479 3.365 1.00 0.00 C ATOM 345 CG ASN A 24 10.611 -11.331 3.961 1.00 0.00 C ATOM 346 OD1 ASN A 24 10.460 -11.907 5.033 1.00 0.00 O ATOM 347 ND2 ASN A 24 11.744 -11.416 3.268 1.00 0.00 N ATOM 0 H ASN A 24 7.540 -9.093 2.872 1.00 0.00 H new ATOM 0 HA ASN A 24 8.516 -10.288 5.274 1.00 0.00 H new ATOM 0 HB2 ASN A 24 8.766 -11.121 2.876 1.00 0.00 H new ATOM 0 HB3 ASN A 24 9.910 -9.822 2.598 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.520 -11.973 3.626 1.00 0.00 H new ATOM 0 HD22 ASN A 24 11.836 -10.924 2.379 1.00 0.00 H new ATOM 354 N THR A 25 9.876 -7.459 4.300 1.00 0.00 N ATOM 355 CA THR A 25 10.716 -6.304 4.633 1.00 0.00 C ATOM 356 C THR A 25 12.186 -6.632 4.907 1.00 0.00 C ATOM 357 O THR A 25 12.936 -5.767 5.356 1.00 0.00 O ATOM 358 CB THR A 25 10.098 -5.463 5.754 1.00 0.00 C ATOM 359 OG1 THR A 25 10.032 -6.180 6.968 1.00 0.00 O ATOM 360 CG2 THR A 25 8.686 -5.043 5.369 1.00 0.00 C ATOM 0 H THR A 25 9.340 -7.311 3.445 1.00 0.00 H new ATOM 0 HA THR A 25 10.737 -5.702 3.724 1.00 0.00 H new ATOM 0 HB THR A 25 10.736 -4.590 5.893 1.00 0.00 H new ATOM 0 HG1 THR A 25 10.308 -7.108 6.815 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.253 -4.445 6.171 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.719 -4.452 4.453 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.074 -5.930 5.207 1.00 0.00 H new ATOM 368 N LEU A 26 12.608 -7.871 4.642 1.00 0.00 N ATOM 369 CA LEU A 26 13.992 -8.301 4.784 1.00 0.00 C ATOM 370 C LEU A 26 14.692 -8.380 3.426 1.00 0.00 C ATOM 371 O LEU A 26 15.917 -8.458 3.371 1.00 0.00 O ATOM 372 CB LEU A 26 14.030 -9.662 5.484 1.00 0.00 C ATOM 373 CG LEU A 26 14.305 -9.545 6.986 1.00 0.00 C ATOM 374 CD1 LEU A 26 13.224 -8.752 7.721 1.00 0.00 C ATOM 375 CD2 LEU A 26 14.374 -10.946 7.592 1.00 0.00 C ATOM 0 H LEU A 26 11.985 -8.611 4.318 1.00 0.00 H new ATOM 0 HA LEU A 26 14.526 -7.565 5.386 1.00 0.00 H new ATOM 0 HB2 LEU A 26 13.079 -10.171 5.331 1.00 0.00 H new ATOM 0 HB3 LEU A 26 14.800 -10.281 5.025 1.00 0.00 H new ATOM 0 HG LEU A 26 15.249 -9.013 7.102 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.469 -8.700 8.782 1.00 0.00 H new ATOM 0 HD12 LEU A 26 13.171 -7.743 7.311 1.00 0.00 H new ATOM 0 HD13 LEU A 26 12.261 -9.246 7.595 1.00 0.00 H new ATOM 0 HD21 LEU A 26 14.570 -10.871 8.662 1.00 0.00 H new ATOM 0 HD22 LEU A 26 13.426 -11.459 7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 26 15.176 -11.509 7.115 1.00 0.00 H new ATOM 387 N VAL A 27 13.917 -8.360 2.335 1.00 0.00 N ATOM 388 CA VAL A 27 14.458 -8.407 0.982 1.00 0.00 C ATOM 389 C VAL A 27 13.876 -7.277 0.134 1.00 0.00 C ATOM 390 O VAL A 27 14.471 -6.894 -0.870 1.00 0.00 O ATOM 391 CB VAL A 27 14.169 -9.782 0.360 1.00 0.00 C ATOM 392 CG1 VAL A 27 14.744 -9.893 -1.051 1.00 0.00 C ATOM 393 CG2 VAL A 27 14.792 -10.890 1.213 1.00 0.00 C ATOM 0 H VAL A 27 12.899 -8.311 2.371 1.00 0.00 H new ATOM 0 HA VAL A 27 15.538 -8.266 1.018 1.00 0.00 H new ATOM 0 HB VAL A 27 13.085 -9.892 0.317 1.00 0.00 H new ATOM 0 HG11 VAL A 27 14.520 -10.879 -1.459 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.299 -9.128 -1.687 1.00 0.00 H new ATOM 0 HG13 VAL A 27 15.824 -9.752 -1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.580 -11.859 0.762 1.00 0.00 H new ATOM 0 HG22 VAL A 27 15.871 -10.744 1.268 1.00 0.00 H new ATOM 0 HG23 VAL A 27 14.369 -10.857 2.217 1.00 0.00 H new ATOM 403 N VAL A 28 12.716 -6.735 0.529 1.00 0.00 N ATOM 404 CA VAL A 28 12.105 -5.617 -0.180 1.00 0.00 C ATOM 405 C VAL A 28 12.360 -4.317 0.574 1.00 0.00 C ATOM 406 O VAL A 28 12.243 -4.272 1.796 1.00 0.00 O ATOM 407 CB VAL A 28 10.610 -5.869 -0.392 1.00 0.00 C ATOM 408 CG1 VAL A 28 9.956 -4.687 -1.109 1.00 0.00 C ATOM 409 CG2 VAL A 28 10.417 -7.116 -1.252 1.00 0.00 C ATOM 0 H VAL A 28 12.186 -7.058 1.338 1.00 0.00 H new ATOM 0 HA VAL A 28 12.562 -5.525 -1.166 1.00 0.00 H new ATOM 0 HB VAL A 28 10.147 -6.001 0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.894 -4.889 -1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.078 -3.785 -0.510 1.00 0.00 H new ATOM 0 HG13 VAL A 28 10.429 -4.544 -2.081 1.00 0.00 H new ATOM 0 HG21 VAL A 28 9.352 -7.294 -1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 28 10.900 -6.970 -2.218 1.00 0.00 H new ATOM 0 HG23 VAL A 28 10.861 -7.976 -0.751 1.00 0.00 H new ATOM 419 N LYS A 29 12.709 -3.268 -0.173 1.00 0.00 N ATOM 420 CA LYS A 29 13.007 -1.946 0.359 1.00 0.00 C ATOM 421 C LYS A 29 12.217 -0.905 -0.424 1.00 0.00 C ATOM 422 O LYS A 29 11.587 -1.213 -1.432 1.00 0.00 O ATOM 423 CB LYS A 29 14.514 -1.660 0.276 1.00 0.00 C ATOM 424 CG LYS A 29 15.365 -2.486 1.252 1.00 0.00 C ATOM 425 CD LYS A 29 15.700 -3.905 0.774 1.00 0.00 C ATOM 426 CE LYS A 29 16.467 -3.877 -0.546 1.00 0.00 C ATOM 427 NZ LYS A 29 16.784 -5.241 -1.012 1.00 0.00 N ATOM 0 H LYS A 29 12.793 -3.320 -1.188 1.00 0.00 H new ATOM 0 HA LYS A 29 12.717 -1.903 1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 29 14.854 -1.856 -0.741 1.00 0.00 H new ATOM 0 HB3 LYS A 29 14.683 -0.601 0.470 1.00 0.00 H new ATOM 0 HG2 LYS A 29 16.296 -1.952 1.441 1.00 0.00 H new ATOM 0 HG3 LYS A 29 14.838 -2.554 2.204 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.294 -4.416 1.532 1.00 0.00 H new ATOM 0 HD3 LYS A 29 14.780 -4.477 0.651 1.00 0.00 H new ATOM 0 HE2 LYS A 29 15.875 -3.361 -1.302 1.00 0.00 H new ATOM 0 HE3 LYS A 29 17.389 -3.310 -0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 17.119 -5.203 -1.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.526 -5.650 -0.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.930 -5.833 -0.960 1.00 0.00 H new ATOM 441 N LYS A 30 12.251 0.343 0.044 1.00 0.00 N ATOM 442 CA LYS A 30 11.548 1.458 -0.582 1.00 0.00 C ATOM 443 C LYS A 30 12.093 1.768 -1.976 1.00 0.00 C ATOM 444 O LYS A 30 11.512 2.575 -2.696 1.00 0.00 O ATOM 445 CB LYS A 30 11.649 2.670 0.339 1.00 0.00 C ATOM 446 CG LYS A 30 13.106 3.023 0.646 1.00 0.00 C ATOM 447 CD LYS A 30 13.185 3.613 2.049 1.00 0.00 C ATOM 448 CE LYS A 30 12.402 4.923 2.154 1.00 0.00 C ATOM 449 NZ LYS A 30 12.963 5.954 1.261 1.00 0.00 N ATOM 0 H LYS A 30 12.774 0.609 0.878 1.00 0.00 H new ATOM 0 HA LYS A 30 10.501 1.188 -0.722 1.00 0.00 H new ATOM 0 HB2 LYS A 30 11.157 3.524 -0.127 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.119 2.466 1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 30 13.732 2.134 0.575 1.00 0.00 H new ATOM 0 HG3 LYS A 30 13.483 3.738 -0.085 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.792 2.895 2.769 1.00 0.00 H new ATOM 0 HD3 LYS A 30 14.228 3.790 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.357 4.746 1.898 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.422 5.280 3.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.538 6.876 1.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.993 6.006 1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.754 5.708 0.272 1.00 0.00 H new ATOM 463 N SER A 31 13.200 1.124 -2.355 1.00 0.00 N ATOM 464 CA SER A 31 13.789 1.260 -3.684 1.00 0.00 C ATOM 465 C SER A 31 13.325 0.126 -4.598 1.00 0.00 C ATOM 466 O SER A 31 13.677 0.096 -5.775 1.00 0.00 O ATOM 467 CB SER A 31 15.313 1.288 -3.570 1.00 0.00 C ATOM 468 OG SER A 31 15.709 2.328 -2.696 1.00 0.00 O ATOM 0 H SER A 31 13.714 0.490 -1.743 1.00 0.00 H new ATOM 0 HA SER A 31 13.456 2.198 -4.128 1.00 0.00 H new ATOM 0 HB2 SER A 31 15.677 0.330 -3.198 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.758 1.438 -4.554 1.00 0.00 H new ATOM 0 HG SER A 31 16.686 2.341 -2.625 1.00 0.00 H new ATOM 474 N ASP A 32 12.539 -0.809 -4.052 1.00 0.00 N ATOM 475 CA ASP A 32 11.985 -1.935 -4.780 1.00 0.00 C ATOM 476 C ASP A 32 10.474 -1.762 -4.923 1.00 0.00 C ATOM 477 O ASP A 32 9.898 -2.118 -5.948 1.00 0.00 O ATOM 478 CB ASP A 32 12.305 -3.208 -3.997 1.00 0.00 C ATOM 479 CG ASP A 32 13.792 -3.537 -4.029 1.00 0.00 C ATOM 480 OD1 ASP A 32 14.300 -3.810 -5.140 1.00 0.00 O ATOM 481 OD2 ASP A 32 14.405 -3.512 -2.940 1.00 0.00 O ATOM 0 H ASP A 32 12.270 -0.795 -3.068 1.00 0.00 H new ATOM 0 HA ASP A 32 12.417 -1.996 -5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 32 11.982 -3.089 -2.963 1.00 0.00 H new ATOM 0 HB3 ASP A 32 11.740 -4.042 -4.413 1.00 0.00 H new ATOM 486 N VAL A 33 9.826 -1.211 -3.895 1.00 0.00 N ATOM 487 CA VAL A 33 8.393 -0.957 -3.929 1.00 0.00 C ATOM 488 C VAL A 33 8.071 0.035 -5.044 1.00 0.00 C ATOM 489 O VAL A 33 7.003 -0.027 -5.645 1.00 0.00 O ATOM 490 CB VAL A 33 7.958 -0.420 -2.563 1.00 0.00 C ATOM 491 CG1 VAL A 33 6.484 -0.033 -2.572 1.00 0.00 C ATOM 492 CG2 VAL A 33 8.153 -1.500 -1.497 1.00 0.00 C ATOM 0 H VAL A 33 10.279 -0.932 -3.025 1.00 0.00 H new ATOM 0 HA VAL A 33 7.848 -1.878 -4.136 1.00 0.00 H new ATOM 0 HB VAL A 33 8.566 0.458 -2.343 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.201 0.345 -1.590 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.316 0.741 -3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.880 -0.908 -2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.842 -1.114 -0.526 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.551 -2.373 -1.749 1.00 0.00 H new ATOM 0 HG23 VAL A 33 9.205 -1.784 -1.455 1.00 0.00 H new ATOM 502 N GLU A 34 8.998 0.953 -5.331 1.00 0.00 N ATOM 503 CA GLU A 34 8.825 1.939 -6.390 1.00 0.00 C ATOM 504 C GLU A 34 9.106 1.352 -7.776 1.00 0.00 C ATOM 505 O GLU A 34 9.094 2.079 -8.766 1.00 0.00 O ATOM 506 CB GLU A 34 9.692 3.170 -6.119 1.00 0.00 C ATOM 507 CG GLU A 34 11.182 2.820 -6.147 1.00 0.00 C ATOM 508 CD GLU A 34 12.060 4.064 -6.011 1.00 0.00 C ATOM 509 OE1 GLU A 34 11.574 5.070 -5.452 1.00 0.00 O ATOM 510 OE2 GLU A 34 13.221 3.998 -6.470 1.00 0.00 O ATOM 0 H GLU A 34 9.886 1.030 -4.835 1.00 0.00 H new ATOM 0 HA GLU A 34 7.779 2.246 -6.388 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.482 3.936 -6.865 1.00 0.00 H new ATOM 0 HB3 GLU A 34 9.434 3.592 -5.148 1.00 0.00 H new ATOM 0 HG2 GLU A 34 11.408 2.126 -5.338 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.418 2.309 -7.080 1.00 0.00 H new ATOM 517 N ALA A 35 9.360 0.042 -7.852 1.00 0.00 N ATOM 518 CA ALA A 35 9.585 -0.654 -9.110 1.00 0.00 C ATOM 519 C ALA A 35 8.625 -1.835 -9.264 1.00 0.00 C ATOM 520 O ALA A 35 8.578 -2.459 -10.324 1.00 0.00 O ATOM 521 CB ALA A 35 11.040 -1.110 -9.170 1.00 0.00 C ATOM 0 H ALA A 35 9.414 -0.564 -7.033 1.00 0.00 H new ATOM 0 HA ALA A 35 9.389 0.025 -9.940 1.00 0.00 H new ATOM 0 HB1 ALA A 35 11.219 -1.633 -10.109 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.696 -0.242 -9.107 1.00 0.00 H new ATOM 0 HB3 ALA A 35 11.246 -1.781 -8.336 1.00 0.00 H new ATOM 527 N ILE A 36 7.857 -2.140 -8.212 1.00 0.00 N ATOM 528 CA ILE A 36 6.890 -3.230 -8.226 1.00 0.00 C ATOM 529 C ILE A 36 5.461 -2.694 -8.180 1.00 0.00 C ATOM 530 O ILE A 36 4.543 -3.342 -8.682 1.00 0.00 O ATOM 531 CB ILE A 36 7.178 -4.147 -7.032 1.00 0.00 C ATOM 532 CG1 ILE A 36 8.586 -4.740 -7.164 1.00 0.00 C ATOM 533 CG2 ILE A 36 6.136 -5.267 -6.949 1.00 0.00 C ATOM 534 CD1 ILE A 36 9.066 -5.341 -5.845 1.00 0.00 C ATOM 0 H ILE A 36 7.893 -1.633 -7.327 1.00 0.00 H new ATOM 0 HA ILE A 36 6.985 -3.797 -9.152 1.00 0.00 H new ATOM 0 HB ILE A 36 7.121 -3.560 -6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 36 8.587 -5.508 -7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 36 9.280 -3.964 -7.485 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.357 -5.907 -6.095 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.144 -4.832 -6.829 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.165 -5.859 -7.864 1.00 0.00 H new ATOM 0 HD11 ILE A 36 10.067 -5.752 -5.975 1.00 0.00 H new ATOM 0 HD12 ILE A 36 9.089 -4.566 -5.079 1.00 0.00 H new ATOM 0 HD13 ILE A 36 8.385 -6.135 -5.538 1.00 0.00 H new ATOM 546 N PHE A 37 5.260 -1.517 -7.586 1.00 0.00 N ATOM 547 CA PHE A 37 3.950 -0.900 -7.496 1.00 0.00 C ATOM 548 C PHE A 37 3.817 0.261 -8.481 1.00 0.00 C ATOM 549 O PHE A 37 2.738 0.829 -8.628 1.00 0.00 O ATOM 550 CB PHE A 37 3.704 -0.461 -6.053 1.00 0.00 C ATOM 551 CG PHE A 37 3.491 -1.615 -5.100 1.00 0.00 C ATOM 552 CD1 PHE A 37 4.593 -2.315 -4.586 1.00 0.00 C ATOM 553 CD2 PHE A 37 2.191 -1.991 -4.729 1.00 0.00 C ATOM 554 CE1 PHE A 37 4.395 -3.391 -3.708 1.00 0.00 C ATOM 555 CE2 PHE A 37 1.992 -3.069 -3.854 1.00 0.00 C ATOM 556 CZ PHE A 37 3.093 -3.766 -3.345 1.00 0.00 C ATOM 0 H PHE A 37 6.006 -0.970 -7.156 1.00 0.00 H new ATOM 0 HA PHE A 37 3.185 -1.626 -7.773 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.554 0.130 -5.711 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.830 0.190 -6.024 1.00 0.00 H new ATOM 0 HD1 PHE A 37 5.595 -2.025 -4.867 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.342 -1.449 -5.118 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.243 -3.930 -3.312 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.991 -3.360 -3.574 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.940 -4.595 -2.670 1.00 0.00 H new ATOM 566 N SER A 38 4.910 0.621 -9.162 1.00 0.00 N ATOM 567 CA SER A 38 4.902 1.716 -10.126 1.00 0.00 C ATOM 568 C SER A 38 4.256 1.282 -11.444 1.00 0.00 C ATOM 569 O SER A 38 3.981 2.113 -12.309 1.00 0.00 O ATOM 570 CB SER A 38 6.338 2.200 -10.335 1.00 0.00 C ATOM 571 OG SER A 38 6.355 3.351 -11.152 1.00 0.00 O ATOM 0 H SER A 38 5.816 0.163 -9.059 1.00 0.00 H new ATOM 0 HA SER A 38 4.302 2.540 -9.739 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.797 2.423 -9.372 1.00 0.00 H new ATOM 0 HB3 SER A 38 6.931 1.410 -10.796 1.00 0.00 H new ATOM 0 HG SER A 38 5.622 3.302 -11.801 1.00 0.00 H new ATOM 577 N LYS A 39 4.008 -0.023 -11.602 1.00 0.00 N ATOM 578 CA LYS A 39 3.376 -0.572 -12.796 1.00 0.00 C ATOM 579 C LYS A 39 1.852 -0.488 -12.736 1.00 0.00 C ATOM 580 O LYS A 39 1.189 -0.714 -13.747 1.00 0.00 O ATOM 581 CB LYS A 39 3.856 -2.009 -12.977 1.00 0.00 C ATOM 582 CG LYS A 39 3.341 -2.878 -11.828 1.00 0.00 C ATOM 583 CD LYS A 39 4.138 -4.178 -11.749 1.00 0.00 C ATOM 584 CE LYS A 39 4.002 -5.019 -13.018 1.00 0.00 C ATOM 585 NZ LYS A 39 2.607 -5.469 -13.225 1.00 0.00 N ATOM 0 H LYS A 39 4.242 -0.726 -10.901 1.00 0.00 H new ATOM 0 HA LYS A 39 3.668 0.025 -13.660 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.502 -2.403 -13.930 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.945 -2.037 -13.006 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.424 -2.335 -10.887 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.284 -3.100 -11.976 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.190 -3.947 -11.580 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.797 -4.759 -10.892 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.329 -4.436 -13.879 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.659 -5.886 -12.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.608 -6.404 -13.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.122 -5.531 -12.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.109 -4.788 -13.834 1.00 0.00 H new ATOM 599 N TYR A 40 1.293 -0.168 -11.563 1.00 0.00 N ATOM 600 CA TYR A 40 -0.152 -0.025 -11.397 1.00 0.00 C ATOM 601 C TYR A 40 -0.550 1.440 -11.243 1.00 0.00 C ATOM 602 O TYR A 40 -1.726 1.786 -11.380 1.00 0.00 O ATOM 603 CB TYR A 40 -0.599 -0.846 -10.193 1.00 0.00 C ATOM 604 CG TYR A 40 -0.175 -2.294 -10.292 1.00 0.00 C ATOM 605 CD1 TYR A 40 -0.810 -3.152 -11.201 1.00 0.00 C ATOM 606 CD2 TYR A 40 0.863 -2.767 -9.477 1.00 0.00 C ATOM 607 CE1 TYR A 40 -0.396 -4.488 -11.310 1.00 0.00 C ATOM 608 CE2 TYR A 40 1.285 -4.100 -9.586 1.00 0.00 C ATOM 609 CZ TYR A 40 0.657 -4.966 -10.503 1.00 0.00 C ATOM 610 OH TYR A 40 1.067 -6.259 -10.614 1.00 0.00 O ATOM 0 H TYR A 40 1.828 -0.003 -10.710 1.00 0.00 H new ATOM 0 HA TYR A 40 -0.652 -0.397 -12.291 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.183 -0.410 -9.285 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -1.684 -0.793 -10.104 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.617 -2.785 -11.817 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.337 -2.106 -8.766 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -0.883 -5.150 -12.011 1.00 0.00 H new ATOM 0 HE2 TYR A 40 2.092 -4.463 -8.967 1.00 0.00 H new ATOM 0 HH TYR A 40 1.485 -6.543 -9.774 1.00 0.00 H new ATOM 620 N GLY A 41 0.421 2.311 -10.960 1.00 0.00 N ATOM 621 CA GLY A 41 0.174 3.739 -10.894 1.00 0.00 C ATOM 622 C GLY A 41 1.459 4.533 -10.703 1.00 0.00 C ATOM 623 O GLY A 41 2.493 3.979 -10.338 1.00 0.00 O ATOM 0 H GLY A 41 1.387 2.043 -10.773 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.320 4.064 -11.810 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -0.509 3.951 -10.071 1.00 0.00 H new ATOM 627 N LYS A 42 1.387 5.842 -10.953 1.00 0.00 N ATOM 628 CA LYS A 42 2.510 6.746 -10.777 1.00 0.00 C ATOM 629 C LYS A 42 2.705 7.015 -9.292 1.00 0.00 C ATOM 630 O LYS A 42 1.853 7.640 -8.658 1.00 0.00 O ATOM 631 CB LYS A 42 2.218 8.027 -11.561 1.00 0.00 C ATOM 632 CG LYS A 42 3.220 9.133 -11.237 1.00 0.00 C ATOM 633 CD LYS A 42 2.914 10.362 -12.093 1.00 0.00 C ATOM 634 CE LYS A 42 3.716 11.549 -11.567 1.00 0.00 C ATOM 635 NZ LYS A 42 3.505 12.749 -12.395 1.00 0.00 N ATOM 0 H LYS A 42 0.539 6.301 -11.285 1.00 0.00 H new ATOM 0 HA LYS A 42 3.435 6.312 -11.156 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.246 7.813 -12.629 1.00 0.00 H new ATOM 0 HB3 LYS A 42 1.210 8.372 -11.331 1.00 0.00 H new ATOM 0 HG2 LYS A 42 3.165 9.390 -10.179 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.236 8.786 -11.429 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.169 10.168 -13.135 1.00 0.00 H new ATOM 0 HD3 LYS A 42 1.848 10.586 -12.062 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.425 11.759 -10.538 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.776 11.296 -11.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 4.064 13.538 -12.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 3.806 12.554 -13.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.497 13.003 -12.388 1.00 0.00 H new ATOM 649 N ILE A 43 3.823 6.547 -8.740 1.00 0.00 N ATOM 650 CA ILE A 43 4.125 6.701 -7.327 1.00 0.00 C ATOM 651 C ILE A 43 4.725 8.082 -7.076 1.00 0.00 C ATOM 652 O ILE A 43 5.690 8.472 -7.731 1.00 0.00 O ATOM 653 CB ILE A 43 5.044 5.559 -6.864 1.00 0.00 C ATOM 654 CG1 ILE A 43 4.292 4.235 -7.032 1.00 0.00 C ATOM 655 CG2 ILE A 43 5.450 5.737 -5.398 1.00 0.00 C ATOM 656 CD1 ILE A 43 5.137 3.024 -6.636 1.00 0.00 C ATOM 0 H ILE A 43 4.543 6.050 -9.265 1.00 0.00 H new ATOM 0 HA ILE A 43 3.212 6.636 -6.736 1.00 0.00 H new ATOM 0 HB ILE A 43 5.952 5.565 -7.467 1.00 0.00 H new ATOM 0 HG12 ILE A 43 3.387 4.256 -6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.977 4.130 -8.070 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.100 4.915 -5.098 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.982 6.681 -5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.558 5.742 -4.771 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.555 2.113 -6.775 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.029 2.983 -7.261 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.430 3.111 -5.590 1.00 0.00 H new ATOM 668 N VAL A 44 4.142 8.816 -6.124 1.00 0.00 N ATOM 669 CA VAL A 44 4.598 10.152 -5.754 1.00 0.00 C ATOM 670 C VAL A 44 5.283 10.125 -4.391 1.00 0.00 C ATOM 671 O VAL A 44 5.934 11.094 -4.004 1.00 0.00 O ATOM 672 CB VAL A 44 3.422 11.134 -5.761 1.00 0.00 C ATOM 673 CG1 VAL A 44 2.818 11.222 -7.162 1.00 0.00 C ATOM 674 CG2 VAL A 44 2.329 10.703 -4.779 1.00 0.00 C ATOM 0 H VAL A 44 3.336 8.495 -5.587 1.00 0.00 H new ATOM 0 HA VAL A 44 5.328 10.490 -6.489 1.00 0.00 H new ATOM 0 HB VAL A 44 3.806 12.107 -5.456 1.00 0.00 H new ATOM 0 HG11 VAL A 44 1.983 11.923 -7.155 1.00 0.00 H new ATOM 0 HG12 VAL A 44 3.576 11.568 -7.864 1.00 0.00 H new ATOM 0 HG13 VAL A 44 2.463 10.238 -7.468 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.509 11.421 -4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.958 9.717 -5.058 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.741 10.664 -3.771 1.00 0.00 H new ATOM 684 N GLY A 45 5.142 9.013 -3.670 1.00 0.00 N ATOM 685 CA GLY A 45 5.750 8.828 -2.364 1.00 0.00 C ATOM 686 C GLY A 45 5.737 7.353 -1.985 1.00 0.00 C ATOM 687 O GLY A 45 4.822 6.625 -2.362 1.00 0.00 O ATOM 0 H GLY A 45 4.596 8.211 -3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 45 6.775 9.200 -2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.209 9.408 -1.617 1.00 0.00 H new ATOM 691 N CYS A 46 6.747 6.913 -1.241 1.00 0.00 N ATOM 692 CA CYS A 46 6.844 5.530 -0.811 1.00 0.00 C ATOM 693 C CYS A 46 7.649 5.430 0.483 1.00 0.00 C ATOM 694 O CYS A 46 8.552 6.229 0.726 1.00 0.00 O ATOM 695 CB CYS A 46 7.483 4.699 -1.925 1.00 0.00 C ATOM 696 SG CYS A 46 9.193 5.241 -2.201 1.00 0.00 S ATOM 0 H CYS A 46 7.515 7.504 -0.923 1.00 0.00 H new ATOM 0 HA CYS A 46 5.847 5.139 -0.610 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.466 3.643 -1.657 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.907 4.804 -2.844 1.00 0.00 H new ATOM 0 HG CYS A 46 9.622 5.876 -1.151 1.00 0.00 H new ATOM 702 N SER A 47 7.321 4.443 1.314 1.00 0.00 N ATOM 703 CA SER A 47 8.049 4.205 2.547 1.00 0.00 C ATOM 704 C SER A 47 7.874 2.759 2.987 1.00 0.00 C ATOM 705 O SER A 47 6.763 2.229 2.954 1.00 0.00 O ATOM 706 CB SER A 47 7.539 5.156 3.630 1.00 0.00 C ATOM 707 OG SER A 47 8.310 4.991 4.802 1.00 0.00 O ATOM 0 H SER A 47 6.551 3.795 1.150 1.00 0.00 H new ATOM 0 HA SER A 47 9.111 4.389 2.382 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.602 6.187 3.283 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.489 4.954 3.841 1.00 0.00 H new ATOM 0 HG SER A 47 7.802 4.469 5.457 1.00 0.00 H new ATOM 713 N VAL A 48 8.970 2.119 3.398 1.00 0.00 N ATOM 714 CA VAL A 48 8.932 0.762 3.923 1.00 0.00 C ATOM 715 C VAL A 48 9.242 0.783 5.417 1.00 0.00 C ATOM 716 O VAL A 48 10.003 1.622 5.896 1.00 0.00 O ATOM 717 CB VAL A 48 9.897 -0.140 3.151 1.00 0.00 C ATOM 718 CG1 VAL A 48 9.895 -1.570 3.695 1.00 0.00 C ATOM 719 CG2 VAL A 48 9.472 -0.189 1.685 1.00 0.00 C ATOM 0 H VAL A 48 9.904 2.529 3.375 1.00 0.00 H new ATOM 0 HA VAL A 48 7.933 0.348 3.791 1.00 0.00 H new ATOM 0 HB VAL A 48 10.899 0.275 3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.593 -2.179 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.198 -1.561 4.742 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.893 -1.990 3.611 1.00 0.00 H new ATOM 0 HG21 VAL A 48 10.156 -0.830 1.129 1.00 0.00 H new ATOM 0 HG22 VAL A 48 8.460 -0.588 1.613 1.00 0.00 H new ATOM 0 HG23 VAL A 48 9.496 0.817 1.265 1.00 0.00 H new ATOM 729 N HIS A 49 8.637 -0.156 6.144 1.00 0.00 N ATOM 730 CA HIS A 49 8.769 -0.281 7.586 1.00 0.00 C ATOM 731 C HIS A 49 9.058 -1.744 7.908 1.00 0.00 C ATOM 732 O HIS A 49 9.411 -2.507 7.013 1.00 0.00 O ATOM 733 CB HIS A 49 7.471 0.205 8.234 1.00 0.00 C ATOM 734 CG HIS A 49 7.089 1.604 7.820 1.00 0.00 C ATOM 735 ND1 HIS A 49 7.325 2.762 8.566 1.00 0.00 N ATOM 736 CD2 HIS A 49 6.463 1.939 6.656 1.00 0.00 C ATOM 737 CE1 HIS A 49 6.831 3.767 7.826 1.00 0.00 C ATOM 738 NE2 HIS A 49 6.305 3.305 6.677 1.00 0.00 N ATOM 0 H HIS A 49 8.029 -0.864 5.733 1.00 0.00 H new ATOM 0 HA HIS A 49 9.587 0.325 7.976 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.663 -0.478 7.971 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.578 0.170 9.318 1.00 0.00 H new ATOM 0 HD2 HIS A 49 6.152 1.264 5.872 1.00 0.00 H new ATOM 0 HE1 HIS A 49 6.853 4.808 8.114 1.00 0.00 H new ATOM 0 HE2 HIS A 49 5.866 3.869 5.949 1.00 0.00 H new ATOM 746 N LYS A 50 8.914 -2.152 9.170 1.00 0.00 N ATOM 747 CA LYS A 50 9.100 -3.550 9.534 1.00 0.00 C ATOM 748 C LYS A 50 7.759 -4.275 9.486 1.00 0.00 C ATOM 749 O LYS A 50 6.835 -3.924 10.214 1.00 0.00 O ATOM 750 CB LYS A 50 9.747 -3.654 10.919 1.00 0.00 C ATOM 751 CG LYS A 50 11.133 -3.005 10.958 1.00 0.00 C ATOM 752 CD LYS A 50 12.103 -3.676 9.979 1.00 0.00 C ATOM 753 CE LYS A 50 13.488 -3.057 10.130 1.00 0.00 C ATOM 754 NZ LYS A 50 14.453 -3.686 9.211 1.00 0.00 N ATOM 0 H LYS A 50 8.671 -1.538 9.948 1.00 0.00 H new ATOM 0 HA LYS A 50 9.771 -4.028 8.820 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.102 -3.176 11.656 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.831 -4.703 11.202 1.00 0.00 H new ATOM 0 HG2 LYS A 50 11.046 -1.946 10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.535 -3.068 11.969 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.149 -4.748 10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.747 -3.552 8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 50 13.435 -1.987 9.930 1.00 0.00 H new ATOM 0 HE3 LYS A 50 13.831 -3.173 11.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.387 -3.246 9.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.519 -4.703 9.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.135 -3.554 8.230 1.00 0.00 H new ATOM 768 N GLY A 51 7.665 -5.286 8.621 1.00 0.00 N ATOM 769 CA GLY A 51 6.466 -6.097 8.453 1.00 0.00 C ATOM 770 C GLY A 51 5.408 -5.445 7.562 1.00 0.00 C ATOM 771 O GLY A 51 4.426 -6.099 7.210 1.00 0.00 O ATOM 0 H GLY A 51 8.433 -5.566 8.010 1.00 0.00 H new ATOM 0 HA2 GLY A 51 6.745 -7.060 8.026 1.00 0.00 H new ATOM 0 HA3 GLY A 51 6.032 -6.296 9.433 1.00 0.00 H new ATOM 775 N PHE A 52 5.585 -4.172 7.186 1.00 0.00 N ATOM 776 CA PHE A 52 4.647 -3.484 6.308 1.00 0.00 C ATOM 777 C PHE A 52 5.331 -2.372 5.518 1.00 0.00 C ATOM 778 O PHE A 52 6.470 -2.002 5.803 1.00 0.00 O ATOM 779 CB PHE A 52 3.487 -2.913 7.124 1.00 0.00 C ATOM 780 CG PHE A 52 3.876 -1.832 8.105 1.00 0.00 C ATOM 781 CD1 PHE A 52 4.371 -2.172 9.371 1.00 0.00 C ATOM 782 CD2 PHE A 52 3.739 -0.484 7.747 1.00 0.00 C ATOM 783 CE1 PHE A 52 4.733 -1.168 10.279 1.00 0.00 C ATOM 784 CE2 PHE A 52 4.102 0.522 8.653 1.00 0.00 C ATOM 785 CZ PHE A 52 4.600 0.180 9.918 1.00 0.00 C ATOM 0 H PHE A 52 6.376 -3.600 7.482 1.00 0.00 H new ATOM 0 HA PHE A 52 4.262 -4.212 5.594 1.00 0.00 H new ATOM 0 HB2 PHE A 52 2.742 -2.511 6.438 1.00 0.00 H new ATOM 0 HB3 PHE A 52 3.011 -3.727 7.671 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.474 -3.211 9.648 1.00 0.00 H new ATOM 0 HD2 PHE A 52 3.354 -0.220 6.773 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.114 -1.432 11.255 1.00 0.00 H new ATOM 0 HE2 PHE A 52 3.998 1.561 8.376 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.881 0.956 10.615 1.00 0.00 H new ATOM 795 N ALA A 53 4.626 -1.838 4.517 1.00 0.00 N ATOM 796 CA ALA A 53 5.086 -0.725 3.700 1.00 0.00 C ATOM 797 C ALA A 53 3.895 0.129 3.259 1.00 0.00 C ATOM 798 O ALA A 53 2.742 -0.243 3.468 1.00 0.00 O ATOM 799 CB ALA A 53 5.846 -1.265 2.491 1.00 0.00 C ATOM 0 H ALA A 53 3.702 -2.178 4.251 1.00 0.00 H new ATOM 0 HA ALA A 53 5.757 -0.095 4.283 1.00 0.00 H new ATOM 0 HB1 ALA A 53 6.192 -0.433 1.877 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.703 -1.847 2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.186 -1.901 1.901 1.00 0.00 H new ATOM 805 N PHE A 54 4.183 1.279 2.644 1.00 0.00 N ATOM 806 CA PHE A 54 3.180 2.209 2.154 1.00 0.00 C ATOM 807 C PHE A 54 3.596 2.775 0.797 1.00 0.00 C ATOM 808 O PHE A 54 4.782 2.991 0.541 1.00 0.00 O ATOM 809 CB PHE A 54 2.981 3.335 3.174 1.00 0.00 C ATOM 810 CG PHE A 54 1.912 3.035 4.199 1.00 0.00 C ATOM 811 CD1 PHE A 54 0.566 3.043 3.806 1.00 0.00 C ATOM 812 CD2 PHE A 54 2.253 2.757 5.532 1.00 0.00 C ATOM 813 CE1 PHE A 54 -0.440 2.782 4.744 1.00 0.00 C ATOM 814 CE2 PHE A 54 1.245 2.485 6.465 1.00 0.00 C ATOM 815 CZ PHE A 54 -0.099 2.504 6.072 1.00 0.00 C ATOM 0 H PHE A 54 5.139 1.589 2.473 1.00 0.00 H new ATOM 0 HA PHE A 54 2.235 1.681 2.024 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.924 3.521 3.688 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.720 4.252 2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 54 0.305 3.251 2.779 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.289 2.753 5.837 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -1.477 2.795 4.443 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.504 2.260 7.489 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.875 2.303 6.796 1.00 0.00 H new ATOM 825 N VAL A 55 2.606 3.015 -0.066 1.00 0.00 N ATOM 826 CA VAL A 55 2.813 3.579 -1.395 1.00 0.00 C ATOM 827 C VAL A 55 1.768 4.648 -1.650 1.00 0.00 C ATOM 828 O VAL A 55 0.599 4.460 -1.326 1.00 0.00 O ATOM 829 CB VAL A 55 2.714 2.481 -2.459 1.00 0.00 C ATOM 830 CG1 VAL A 55 2.808 3.069 -3.866 1.00 0.00 C ATOM 831 CG2 VAL A 55 3.863 1.497 -2.280 1.00 0.00 C ATOM 0 H VAL A 55 1.627 2.819 0.144 1.00 0.00 H new ATOM 0 HA VAL A 55 3.808 4.021 -1.449 1.00 0.00 H new ATOM 0 HB VAL A 55 1.752 1.983 -2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.735 2.267 -4.601 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.994 3.777 -4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.762 3.582 -3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 55 3.794 0.715 -3.036 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.812 2.022 -2.387 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.807 1.048 -1.288 1.00 0.00 H new ATOM 841 N GLN A 56 2.192 5.768 -2.234 1.00 0.00 N ATOM 842 CA GLN A 56 1.327 6.906 -2.484 1.00 0.00 C ATOM 843 C GLN A 56 1.223 7.144 -3.986 1.00 0.00 C ATOM 844 O GLN A 56 2.241 7.229 -4.670 1.00 0.00 O ATOM 845 CB GLN A 56 1.920 8.115 -1.753 1.00 0.00 C ATOM 846 CG GLN A 56 1.003 9.337 -1.784 1.00 0.00 C ATOM 847 CD GLN A 56 -0.176 9.179 -0.832 1.00 0.00 C ATOM 848 OE1 GLN A 56 0.005 8.987 0.370 1.00 0.00 O ATOM 849 NE2 GLN A 56 -1.390 9.255 -1.358 1.00 0.00 N ATOM 0 H GLN A 56 3.153 5.906 -2.547 1.00 0.00 H new ATOM 0 HA GLN A 56 0.318 6.728 -2.113 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.121 7.844 -0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.877 8.374 -2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.572 10.227 -1.514 1.00 0.00 H new ATOM 0 HG3 GLN A 56 0.634 9.490 -2.798 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -1.503 9.415 -2.359 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -2.211 9.153 -0.762 1.00 0.00 H new ATOM 858 N TYR A 57 -0.005 7.249 -4.496 1.00 0.00 N ATOM 859 CA TYR A 57 -0.272 7.482 -5.907 1.00 0.00 C ATOM 860 C TYR A 57 -0.846 8.879 -6.123 1.00 0.00 C ATOM 861 O TYR A 57 -1.072 9.619 -5.166 1.00 0.00 O ATOM 862 CB TYR A 57 -1.251 6.431 -6.434 1.00 0.00 C ATOM 863 CG TYR A 57 -0.691 5.031 -6.513 1.00 0.00 C ATOM 864 CD1 TYR A 57 0.456 4.792 -7.281 1.00 0.00 C ATOM 865 CD2 TYR A 57 -1.317 3.979 -5.832 1.00 0.00 C ATOM 866 CE1 TYR A 57 0.982 3.498 -7.371 1.00 0.00 C ATOM 867 CE2 TYR A 57 -0.795 2.683 -5.919 1.00 0.00 C ATOM 868 CZ TYR A 57 0.354 2.439 -6.694 1.00 0.00 C ATOM 869 OH TYR A 57 0.854 1.181 -6.792 1.00 0.00 O ATOM 0 H TYR A 57 -0.850 7.173 -3.929 1.00 0.00 H new ATOM 0 HA TYR A 57 0.668 7.405 -6.453 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.132 6.420 -5.792 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -1.585 6.731 -7.427 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.935 5.607 -7.804 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -2.201 4.167 -5.241 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.869 3.314 -7.960 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -1.274 1.871 -5.392 1.00 0.00 H new ATOM 0 HH TYR A 57 1.442 1.123 -7.574 1.00 0.00 H new ATOM 879 N VAL A 58 -1.080 9.235 -7.389 1.00 0.00 N ATOM 880 CA VAL A 58 -1.661 10.520 -7.741 1.00 0.00 C ATOM 881 C VAL A 58 -3.149 10.549 -7.395 1.00 0.00 C ATOM 882 O VAL A 58 -3.672 11.610 -7.057 1.00 0.00 O ATOM 883 CB VAL A 58 -1.438 10.777 -9.236 1.00 0.00 C ATOM 884 CG1 VAL A 58 -2.224 11.996 -9.715 1.00 0.00 C ATOM 885 CG2 VAL A 58 0.048 11.024 -9.499 1.00 0.00 C ATOM 0 H VAL A 58 -0.871 8.639 -8.190 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.176 11.310 -7.168 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.784 9.898 -9.779 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.044 12.150 -10.779 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.288 11.831 -9.548 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.902 12.878 -9.161 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.204 11.206 -10.562 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.379 11.893 -8.930 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.622 10.149 -9.193 1.00 0.00 H new ATOM 895 N ASN A 59 -3.840 9.405 -7.472 1.00 0.00 N ATOM 896 CA ASN A 59 -5.253 9.360 -7.138 1.00 0.00 C ATOM 897 C ASN A 59 -5.703 7.976 -6.666 1.00 0.00 C ATOM 898 O ASN A 59 -4.978 6.990 -6.789 1.00 0.00 O ATOM 899 CB ASN A 59 -6.088 9.854 -8.320 1.00 0.00 C ATOM 900 CG ASN A 59 -6.516 8.748 -9.266 1.00 0.00 C ATOM 901 OD1 ASN A 59 -7.706 8.490 -9.399 1.00 0.00 O ATOM 902 ND2 ASN A 59 -5.567 8.092 -9.923 1.00 0.00 N ATOM 0 H ASN A 59 -3.441 8.511 -7.760 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.414 10.030 -6.293 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.976 10.360 -7.941 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.513 10.594 -8.876 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.818 7.342 -10.567 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.587 8.338 -9.784 1.00 0.00 H new ATOM 909 N GLU A 60 -6.920 7.919 -6.121 1.00 0.00 N ATOM 910 CA GLU A 60 -7.514 6.713 -5.561 1.00 0.00 C ATOM 911 C GLU A 60 -7.641 5.593 -6.594 1.00 0.00 C ATOM 912 O GLU A 60 -7.602 4.420 -6.226 1.00 0.00 O ATOM 913 CB GLU A 60 -8.880 7.101 -4.997 1.00 0.00 C ATOM 914 CG GLU A 60 -9.602 5.916 -4.350 1.00 0.00 C ATOM 915 CD GLU A 60 -10.956 6.332 -3.783 1.00 0.00 C ATOM 916 OE1 GLU A 60 -11.150 7.544 -3.532 1.00 0.00 O ATOM 917 OE2 GLU A 60 -11.798 5.425 -3.599 1.00 0.00 O ATOM 0 H GLU A 60 -7.531 8.733 -6.057 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.868 6.317 -4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.754 7.893 -4.259 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.499 7.507 -5.797 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -9.742 5.126 -5.088 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.984 5.502 -3.553 1.00 0.00 H new ATOM 924 N ARG A 61 -7.791 5.925 -7.882 1.00 0.00 N ATOM 925 CA ARG A 61 -7.900 4.900 -8.912 1.00 0.00 C ATOM 926 C ARG A 61 -6.618 4.081 -8.975 1.00 0.00 C ATOM 927 O ARG A 61 -6.665 2.864 -9.141 1.00 0.00 O ATOM 928 CB ARG A 61 -8.191 5.571 -10.259 1.00 0.00 C ATOM 929 CG ARG A 61 -8.031 4.635 -11.457 1.00 0.00 C ATOM 930 CD ARG A 61 -8.863 3.366 -11.294 1.00 0.00 C ATOM 931 NE ARG A 61 -8.780 2.520 -12.489 1.00 0.00 N ATOM 932 CZ ARG A 61 -9.057 1.214 -12.507 1.00 0.00 C ATOM 933 NH1 ARG A 61 -9.439 0.581 -11.398 1.00 0.00 N ATOM 934 NH2 ARG A 61 -8.953 0.531 -13.643 1.00 0.00 N ATOM 0 H ARG A 61 -7.839 6.884 -8.227 1.00 0.00 H new ATOM 0 HA ARG A 61 -8.718 4.221 -8.672 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.208 5.963 -10.248 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.523 6.423 -10.383 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -8.332 5.154 -12.367 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.980 4.369 -11.574 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.514 2.808 -10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.903 3.632 -11.105 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.492 2.958 -13.364 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.523 1.095 -10.521 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.647 -0.417 -11.427 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.662 1.005 -14.498 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.164 -0.467 -13.659 1.00 0.00 H new ATOM 948 N ASN A 62 -5.465 4.737 -8.839 1.00 0.00 N ATOM 949 CA ASN A 62 -4.200 4.029 -8.897 1.00 0.00 C ATOM 950 C ASN A 62 -4.017 3.146 -7.665 1.00 0.00 C ATOM 951 O ASN A 62 -3.321 2.135 -7.727 1.00 0.00 O ATOM 952 CB ASN A 62 -3.078 5.053 -9.021 1.00 0.00 C ATOM 953 CG ASN A 62 -3.019 5.640 -10.420 1.00 0.00 C ATOM 954 OD1 ASN A 62 -3.092 6.852 -10.598 1.00 0.00 O ATOM 955 ND2 ASN A 62 -2.882 4.776 -11.421 1.00 0.00 N ATOM 0 H ASN A 62 -5.387 5.743 -8.690 1.00 0.00 H new ATOM 0 HA ASN A 62 -4.182 3.370 -9.765 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -3.230 5.852 -8.295 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.125 4.582 -8.781 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.834 5.113 -12.383 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -2.825 3.776 -11.228 1.00 0.00 H new ATOM 962 N ALA A 63 -4.639 3.521 -6.544 1.00 0.00 N ATOM 963 CA ALA A 63 -4.549 2.730 -5.329 1.00 0.00 C ATOM 964 C ALA A 63 -5.349 1.443 -5.480 1.00 0.00 C ATOM 965 O ALA A 63 -4.904 0.385 -5.046 1.00 0.00 O ATOM 966 CB ALA A 63 -5.064 3.547 -4.145 1.00 0.00 C ATOM 0 H ALA A 63 -5.206 4.365 -6.459 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.507 2.466 -5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -4.995 2.951 -3.235 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -4.461 4.448 -4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.103 3.825 -4.319 1.00 0.00 H new ATOM 972 N ARG A 64 -6.529 1.525 -6.098 1.00 0.00 N ATOM 973 CA ARG A 64 -7.383 0.354 -6.253 1.00 0.00 C ATOM 974 C ARG A 64 -6.823 -0.607 -7.293 1.00 0.00 C ATOM 975 O ARG A 64 -7.162 -1.788 -7.283 1.00 0.00 O ATOM 976 CB ARG A 64 -8.803 0.790 -6.602 1.00 0.00 C ATOM 977 CG ARG A 64 -9.341 1.572 -5.411 1.00 0.00 C ATOM 978 CD ARG A 64 -10.826 1.840 -5.566 1.00 0.00 C ATOM 979 NE ARG A 64 -11.301 2.645 -4.441 1.00 0.00 N ATOM 980 CZ ARG A 64 -11.775 2.163 -3.293 1.00 0.00 C ATOM 981 NH1 ARG A 64 -11.846 0.856 -3.065 1.00 0.00 N ATOM 982 NH2 ARG A 64 -12.186 3.006 -2.353 1.00 0.00 N ATOM 0 H ARG A 64 -6.909 2.384 -6.495 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.410 -0.185 -5.306 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.806 1.407 -7.500 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.431 -0.076 -6.809 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -9.162 1.013 -4.493 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -8.805 2.516 -5.319 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -11.015 2.361 -6.504 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -11.373 0.898 -5.608 1.00 0.00 H new ATOM 0 HE ARG A 64 -11.266 3.659 -4.544 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.534 0.196 -3.777 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.213 0.512 -2.178 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.137 4.012 -2.513 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.551 2.647 -1.470 1.00 0.00 H new ATOM 996 N ALA A 65 -5.965 -0.115 -8.190 1.00 0.00 N ATOM 997 CA ALA A 65 -5.338 -0.953 -9.197 1.00 0.00 C ATOM 998 C ALA A 65 -4.179 -1.735 -8.586 1.00 0.00 C ATOM 999 O ALA A 65 -3.905 -2.858 -8.997 1.00 0.00 O ATOM 1000 CB ALA A 65 -4.870 -0.068 -10.352 1.00 0.00 C ATOM 0 H ALA A 65 -5.692 0.867 -8.233 1.00 0.00 H new ATOM 0 HA ALA A 65 -6.055 -1.680 -9.579 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.397 -0.686 -11.115 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -5.726 0.450 -10.784 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.152 0.664 -9.982 1.00 0.00 H new ATOM 1006 N ALA A 66 -3.494 -1.147 -7.598 1.00 0.00 N ATOM 1007 CA ALA A 66 -2.394 -1.825 -6.932 1.00 0.00 C ATOM 1008 C ALA A 66 -2.909 -2.750 -5.831 1.00 0.00 C ATOM 1009 O ALA A 66 -2.324 -3.804 -5.589 1.00 0.00 O ATOM 1010 CB ALA A 66 -1.457 -0.766 -6.375 1.00 0.00 C ATOM 0 H ALA A 66 -3.686 -0.208 -7.249 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.856 -2.454 -7.641 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -0.621 -1.249 -5.869 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.080 -0.149 -7.190 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -1.997 -0.139 -5.665 1.00 0.00 H new ATOM 1016 N VAL A 67 -4.002 -2.369 -5.162 1.00 0.00 N ATOM 1017 CA VAL A 67 -4.641 -3.220 -4.164 1.00 0.00 C ATOM 1018 C VAL A 67 -5.209 -4.470 -4.824 1.00 0.00 C ATOM 1019 O VAL A 67 -5.262 -5.524 -4.198 1.00 0.00 O ATOM 1020 CB VAL A 67 -5.749 -2.424 -3.466 1.00 0.00 C ATOM 1021 CG1 VAL A 67 -6.647 -3.322 -2.613 1.00 0.00 C ATOM 1022 CG2 VAL A 67 -5.138 -1.378 -2.533 1.00 0.00 C ATOM 0 H VAL A 67 -4.462 -1.469 -5.298 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.905 -3.535 -3.424 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.341 -1.957 -4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.419 -2.717 -2.136 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -7.116 -4.075 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.047 -3.814 -1.847 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.934 -0.818 -2.042 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.527 -1.875 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.517 -0.694 -3.111 1.00 0.00 H new ATOM 1032 N ALA A 68 -5.633 -4.369 -6.085 1.00 0.00 N ATOM 1033 CA ALA A 68 -6.150 -5.518 -6.814 1.00 0.00 C ATOM 1034 C ALA A 68 -5.072 -6.189 -7.668 1.00 0.00 C ATOM 1035 O ALA A 68 -5.294 -7.280 -8.190 1.00 0.00 O ATOM 1036 CB ALA A 68 -7.333 -5.066 -7.670 1.00 0.00 C ATOM 0 H ALA A 68 -5.627 -3.500 -6.619 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.482 -6.269 -6.097 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.730 -5.918 -8.222 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -8.112 -4.656 -7.027 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.002 -4.301 -8.373 1.00 0.00 H new ATOM 1042 N GLY A 69 -3.906 -5.550 -7.822 1.00 0.00 N ATOM 1043 CA GLY A 69 -2.837 -6.064 -8.662 1.00 0.00 C ATOM 1044 C GLY A 69 -1.715 -6.752 -7.882 1.00 0.00 C ATOM 1045 O GLY A 69 -0.897 -7.440 -8.489 1.00 0.00 O ATOM 0 H GLY A 69 -3.685 -4.665 -7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.257 -6.772 -9.376 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.414 -5.242 -9.239 1.00 0.00 H new ATOM 1049 N GLU A 70 -1.664 -6.583 -6.558 1.00 0.00 N ATOM 1050 CA GLU A 70 -0.560 -7.091 -5.744 1.00 0.00 C ATOM 1051 C GLU A 70 -1.043 -7.805 -4.481 1.00 0.00 C ATOM 1052 O GLU A 70 -0.290 -8.575 -3.892 1.00 0.00 O ATOM 1053 CB GLU A 70 0.341 -5.918 -5.350 1.00 0.00 C ATOM 1054 CG GLU A 70 1.132 -5.375 -6.538 1.00 0.00 C ATOM 1055 CD GLU A 70 2.259 -6.326 -6.934 1.00 0.00 C ATOM 1056 OE1 GLU A 70 3.167 -6.517 -6.095 1.00 0.00 O ATOM 1057 OE2 GLU A 70 2.219 -6.860 -8.064 1.00 0.00 O ATOM 0 H GLU A 70 -2.382 -6.093 -6.024 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.015 -7.823 -6.340 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.269 -5.120 -4.926 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.033 -6.239 -4.571 1.00 0.00 H new ATOM 0 HG2 GLU A 70 0.463 -5.227 -7.386 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.548 -4.400 -6.286 1.00 0.00 H new ATOM 1064 N ASP A 71 -2.280 -7.578 -4.041 1.00 0.00 N ATOM 1065 CA ASP A 71 -2.781 -8.264 -2.859 1.00 0.00 C ATOM 1066 C ASP A 71 -2.794 -9.772 -3.087 1.00 0.00 C ATOM 1067 O ASP A 71 -3.495 -10.265 -3.973 1.00 0.00 O ATOM 1068 CB ASP A 71 -4.182 -7.761 -2.528 1.00 0.00 C ATOM 1069 CG ASP A 71 -4.761 -8.496 -1.322 1.00 0.00 C ATOM 1070 OD1 ASP A 71 -4.034 -8.604 -0.308 1.00 0.00 O ATOM 1071 OD2 ASP A 71 -5.925 -8.945 -1.420 1.00 0.00 O ATOM 0 H ASP A 71 -2.941 -6.936 -4.478 1.00 0.00 H new ATOM 0 HA ASP A 71 -2.122 -8.052 -2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -4.148 -6.691 -2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.834 -7.900 -3.390 1.00 0.00 H new ATOM 1076 N GLY A 72 -2.017 -10.514 -2.292 1.00 0.00 N ATOM 1077 CA GLY A 72 -1.961 -11.963 -2.408 1.00 0.00 C ATOM 1078 C GLY A 72 -0.902 -12.392 -3.414 1.00 0.00 C ATOM 1079 O GLY A 72 -0.825 -13.568 -3.764 1.00 0.00 O ATOM 0 H GLY A 72 -1.419 -10.128 -1.561 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.740 -12.401 -1.434 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.935 -12.344 -2.716 1.00 0.00 H new ATOM 1083 N ARG A 73 -0.084 -11.444 -3.880 1.00 0.00 N ATOM 1084 CA ARG A 73 1.064 -11.753 -4.711 1.00 0.00 C ATOM 1085 C ARG A 73 2.126 -12.329 -3.783 1.00 0.00 C ATOM 1086 O ARG A 73 1.969 -12.263 -2.564 1.00 0.00 O ATOM 1087 CB ARG A 73 1.536 -10.501 -5.457 1.00 0.00 C ATOM 1088 CG ARG A 73 2.310 -9.555 -4.535 1.00 0.00 C ATOM 1089 CD ARG A 73 3.807 -9.644 -4.823 1.00 0.00 C ATOM 1090 NE ARG A 73 4.097 -9.073 -6.143 1.00 0.00 N ATOM 1091 CZ ARG A 73 4.947 -9.559 -7.049 1.00 0.00 C ATOM 1092 NH1 ARG A 73 5.666 -10.655 -6.818 1.00 0.00 N ATOM 1093 NH2 ARG A 73 5.078 -8.932 -8.211 1.00 0.00 N ATOM 0 H ARG A 73 -0.205 -10.449 -3.689 1.00 0.00 H new ATOM 0 HA ARG A 73 0.825 -12.481 -5.487 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.169 -10.793 -6.295 1.00 0.00 H new ATOM 0 HB3 ARG A 73 0.675 -9.979 -5.875 1.00 0.00 H new ATOM 0 HG2 ARG A 73 1.965 -8.531 -4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 73 2.117 -9.812 -3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.366 -9.109 -4.055 1.00 0.00 H new ATOM 0 HD3 ARG A 73 4.132 -10.684 -4.788 1.00 0.00 H new ATOM 0 HE ARG A 73 3.599 -8.219 -6.393 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.575 -11.147 -5.929 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.308 -11.003 -7.530 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.533 -8.091 -8.401 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.724 -9.291 -8.914 1.00 0.00 H new ATOM 1107 N MET A 74 3.200 -12.884 -4.331 1.00 0.00 N ATOM 1108 CA MET A 74 4.224 -13.494 -3.508 1.00 0.00 C ATOM 1109 C MET A 74 5.515 -12.712 -3.649 1.00 0.00 C ATOM 1110 O MET A 74 6.037 -12.557 -4.750 1.00 0.00 O ATOM 1111 CB MET A 74 4.372 -14.960 -3.896 1.00 0.00 C ATOM 1112 CG MET A 74 5.285 -15.671 -2.902 1.00 0.00 C ATOM 1113 SD MET A 74 5.043 -17.465 -2.852 1.00 0.00 S ATOM 1114 CE MET A 74 3.413 -17.491 -2.053 1.00 0.00 C ATOM 0 H MET A 74 3.379 -12.922 -5.334 1.00 0.00 H new ATOM 0 HA MET A 74 3.946 -13.465 -2.454 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.394 -15.441 -3.913 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.784 -15.039 -4.902 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.323 -15.460 -3.159 1.00 0.00 H new ATOM 0 HG3 MET A 74 5.113 -15.262 -1.906 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.488 -17.994 -1.089 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.065 -16.469 -1.903 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.706 -18.026 -2.687 1.00 0.00 H new ATOM 1124 N ILE A 75 6.024 -12.217 -2.521 1.00 0.00 N ATOM 1125 CA ILE A 75 7.256 -11.447 -2.498 1.00 0.00 C ATOM 1126 C ILE A 75 8.199 -12.007 -1.440 1.00 0.00 C ATOM 1127 O ILE A 75 7.774 -12.332 -0.333 1.00 0.00 O ATOM 1128 CB ILE A 75 6.915 -9.962 -2.306 1.00 0.00 C ATOM 1129 CG1 ILE A 75 7.161 -9.254 -3.644 1.00 0.00 C ATOM 1130 CG2 ILE A 75 7.719 -9.328 -1.169 1.00 0.00 C ATOM 1131 CD1 ILE A 75 6.796 -7.767 -3.611 1.00 0.00 C ATOM 0 H ILE A 75 5.593 -12.340 -1.605 1.00 0.00 H new ATOM 0 HA ILE A 75 7.788 -11.529 -3.446 1.00 0.00 H new ATOM 0 HB ILE A 75 5.870 -9.857 -2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 75 8.211 -9.359 -3.916 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.579 -9.748 -4.422 1.00 0.00 H new ATOM 0 HG21 ILE A 75 7.444 -8.278 -1.071 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.503 -9.849 -0.236 1.00 0.00 H new ATOM 0 HG23 ILE A 75 8.784 -9.405 -1.389 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.992 -7.322 -4.587 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.739 -7.657 -3.368 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.396 -7.262 -2.854 1.00 0.00 H new ATOM 1143 N ALA A 76 9.480 -12.122 -1.788 1.00 0.00 N ATOM 1144 CA ALA A 76 10.477 -12.764 -0.944 1.00 0.00 C ATOM 1145 C ALA A 76 10.066 -14.183 -0.546 1.00 0.00 C ATOM 1146 O ALA A 76 10.598 -14.738 0.415 1.00 0.00 O ATOM 1147 CB ALA A 76 10.788 -11.890 0.269 1.00 0.00 C ATOM 0 H ALA A 76 9.854 -11.769 -2.669 1.00 0.00 H new ATOM 0 HA ALA A 76 11.394 -12.869 -1.524 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.535 -12.383 0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.173 -10.927 -0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 76 9.878 -11.735 0.849 1.00 0.00 H new ATOM 1153 N GLY A 77 9.118 -14.772 -1.278 1.00 0.00 N ATOM 1154 CA GLY A 77 8.614 -16.107 -0.999 1.00 0.00 C ATOM 1155 C GLY A 77 7.448 -16.089 -0.017 1.00 0.00 C ATOM 1156 O GLY A 77 6.969 -17.152 0.377 1.00 0.00 O ATOM 0 H GLY A 77 8.679 -14.328 -2.085 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.295 -16.575 -1.930 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.419 -16.720 -0.593 1.00 0.00 H new ATOM 1160 N GLN A 78 6.982 -14.899 0.381 1.00 0.00 N ATOM 1161 CA GLN A 78 5.882 -14.757 1.316 1.00 0.00 C ATOM 1162 C GLN A 78 4.776 -13.874 0.724 1.00 0.00 C ATOM 1163 O GLN A 78 5.044 -12.822 0.147 1.00 0.00 O ATOM 1164 CB GLN A 78 6.467 -14.214 2.626 1.00 0.00 C ATOM 1165 CG GLN A 78 5.403 -13.837 3.658 1.00 0.00 C ATOM 1166 CD GLN A 78 5.480 -12.347 3.963 1.00 0.00 C ATOM 1167 OE1 GLN A 78 5.372 -11.519 2.930 1.00 0.00 O flip ATOM 1168 NE2 GLN A 78 5.638 -11.946 5.112 1.00 0.00 N flip ATOM 0 H GLN A 78 7.365 -14.011 0.057 1.00 0.00 H new ATOM 0 HA GLN A 78 5.400 -15.714 1.519 1.00 0.00 H new ATOM 0 HB2 GLN A 78 7.131 -14.964 3.057 1.00 0.00 H new ATOM 0 HB3 GLN A 78 7.076 -13.337 2.407 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.412 -14.089 3.280 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.551 -14.412 4.572 1.00 0.00 H new ATOM 0 HE21 GLN A 78 5.717 -12.614 5.879 1.00 0.00 H new ATOM 0 HE22 GLN A 78 5.691 -10.945 5.300 1.00 0.00 H new ATOM 1177 N VAL A 79 3.525 -14.316 0.874 1.00 0.00 N ATOM 1178 CA VAL A 79 2.335 -13.638 0.369 1.00 0.00 C ATOM 1179 C VAL A 79 2.161 -12.274 1.025 1.00 0.00 C ATOM 1180 O VAL A 79 2.408 -12.130 2.218 1.00 0.00 O ATOM 1181 CB VAL A 79 1.108 -14.509 0.669 1.00 0.00 C ATOM 1182 CG1 VAL A 79 -0.175 -13.844 0.175 1.00 0.00 C ATOM 1183 CG2 VAL A 79 1.231 -15.873 -0.007 1.00 0.00 C ATOM 0 H VAL A 79 3.309 -15.183 1.366 1.00 0.00 H new ATOM 0 HA VAL A 79 2.444 -13.487 -0.705 1.00 0.00 H new ATOM 0 HB VAL A 79 1.063 -14.633 1.751 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.027 -14.485 0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.301 -12.882 0.673 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.113 -13.690 -0.902 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.349 -16.473 0.220 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.310 -15.739 -1.086 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.121 -16.383 0.361 1.00 0.00 H new ATOM 1193 N LEU A 80 1.734 -11.275 0.249 1.00 0.00 N ATOM 1194 CA LEU A 80 1.445 -9.950 0.789 1.00 0.00 C ATOM 1195 C LEU A 80 -0.044 -9.780 1.084 1.00 0.00 C ATOM 1196 O LEU A 80 -0.883 -10.474 0.511 1.00 0.00 O ATOM 1197 CB LEU A 80 1.917 -8.853 -0.167 1.00 0.00 C ATOM 1198 CG LEU A 80 3.389 -9.001 -0.552 1.00 0.00 C ATOM 1199 CD1 LEU A 80 3.816 -7.752 -1.313 1.00 0.00 C ATOM 1200 CD2 LEU A 80 4.266 -9.148 0.685 1.00 0.00 C ATOM 0 H LEU A 80 1.581 -11.361 -0.756 1.00 0.00 H new ATOM 0 HA LEU A 80 1.993 -9.857 1.727 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.306 -8.875 -1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.763 -7.880 0.299 1.00 0.00 H new ATOM 0 HG LEU A 80 3.505 -9.894 -1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.865 -7.839 -1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.205 -7.646 -2.210 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.684 -6.876 -0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.308 -9.252 0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.157 -8.265 1.315 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.961 -10.033 1.244 1.00 0.00 H new ATOM 1212 N ASP A 81 -0.362 -8.846 1.980 1.00 0.00 N ATOM 1213 CA ASP A 81 -1.729 -8.483 2.305 1.00 0.00 C ATOM 1214 C ASP A 81 -1.860 -6.974 2.117 1.00 0.00 C ATOM 1215 O ASP A 81 -1.436 -6.194 2.967 1.00 0.00 O ATOM 1216 CB ASP A 81 -2.062 -8.922 3.731 1.00 0.00 C ATOM 1217 CG ASP A 81 -3.530 -8.658 4.060 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -4.379 -9.434 3.571 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -3.796 -7.682 4.794 1.00 0.00 O ATOM 0 H ASP A 81 0.336 -8.317 2.504 1.00 0.00 H new ATOM 0 HA ASP A 81 -2.441 -8.987 1.651 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -1.845 -9.984 3.848 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.426 -8.388 4.437 1.00 0.00 H new ATOM 1224 N ILE A 82 -2.448 -6.573 0.991 1.00 0.00 N ATOM 1225 CA ILE A 82 -2.466 -5.187 0.551 1.00 0.00 C ATOM 1226 C ILE A 82 -3.897 -4.661 0.565 1.00 0.00 C ATOM 1227 O ILE A 82 -4.826 -5.377 0.193 1.00 0.00 O ATOM 1228 CB ILE A 82 -1.799 -5.105 -0.822 1.00 0.00 C ATOM 1229 CG1 ILE A 82 -0.323 -5.463 -0.632 1.00 0.00 C ATOM 1230 CG2 ILE A 82 -1.920 -3.706 -1.429 1.00 0.00 C ATOM 1231 CD1 ILE A 82 0.317 -5.889 -1.942 1.00 0.00 C ATOM 0 H ILE A 82 -2.928 -7.210 0.356 1.00 0.00 H new ATOM 0 HA ILE A 82 -1.900 -4.547 1.228 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.292 -5.793 -1.509 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.212 -4.604 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.233 -6.268 0.097 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.434 -3.689 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -2.973 -3.449 -1.544 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -1.440 -2.981 -0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.365 -6.136 -1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.203 -6.763 -2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 82 0.249 -5.074 -2.662 1.00 0.00 H new ATOM 1243 N ASN A 83 -4.077 -3.410 0.997 1.00 0.00 N ATOM 1244 CA ASN A 83 -5.401 -2.840 1.183 1.00 0.00 C ATOM 1245 C ASN A 83 -5.378 -1.321 0.988 1.00 0.00 C ATOM 1246 O ASN A 83 -4.344 -0.684 1.181 1.00 0.00 O ATOM 1247 CB ASN A 83 -5.872 -3.212 2.595 1.00 0.00 C ATOM 1248 CG ASN A 83 -7.374 -3.049 2.759 1.00 0.00 C ATOM 1249 OD1 ASN A 83 -8.120 -4.017 2.655 1.00 0.00 O ATOM 1250 ND2 ASN A 83 -7.832 -1.833 3.015 1.00 0.00 N ATOM 0 H ASN A 83 -3.313 -2.774 1.224 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.092 -3.239 0.440 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.594 -4.244 2.809 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.358 -2.586 3.325 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.834 -1.679 3.132 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.183 -1.050 3.095 1.00 0.00 H new ATOM 1257 N LEU A 84 -6.516 -0.738 0.606 1.00 0.00 N ATOM 1258 CA LEU A 84 -6.692 0.705 0.525 1.00 0.00 C ATOM 1259 C LEU A 84 -6.465 1.299 1.918 1.00 0.00 C ATOM 1260 O LEU A 84 -7.048 0.821 2.890 1.00 0.00 O ATOM 1261 CB LEU A 84 -8.115 0.940 0.005 1.00 0.00 C ATOM 1262 CG LEU A 84 -8.398 2.307 -0.626 1.00 0.00 C ATOM 1263 CD1 LEU A 84 -8.332 3.451 0.379 1.00 0.00 C ATOM 1264 CD2 LEU A 84 -7.439 2.583 -1.781 1.00 0.00 C ATOM 0 H LEU A 84 -7.348 -1.265 0.342 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.984 1.188 -0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.339 0.171 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -8.808 0.797 0.834 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.420 2.260 -1.002 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.541 4.393 -0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.071 3.289 1.164 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -7.336 3.490 0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.660 3.559 -2.212 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.413 2.573 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.558 1.814 -2.544 1.00 0.00 H new ATOM 1276 N ALA A 85 -5.624 2.332 2.031 1.00 0.00 N ATOM 1277 CA ALA A 85 -5.197 2.867 3.320 1.00 0.00 C ATOM 1278 C ALA A 85 -6.315 3.535 4.128 1.00 0.00 C ATOM 1279 O ALA A 85 -6.049 4.028 5.224 1.00 0.00 O ATOM 1280 CB ALA A 85 -4.051 3.856 3.095 1.00 0.00 C ATOM 0 H ALA A 85 -5.222 2.818 1.229 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.872 2.016 3.918 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.726 4.261 4.054 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.217 3.343 2.616 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.393 4.669 2.455 1.00 0.00 H new ATOM 1286 N ALA A 86 -7.549 3.562 3.617 1.00 0.00 N ATOM 1287 CA ALA A 86 -8.655 4.223 4.299 1.00 0.00 C ATOM 1288 C ALA A 86 -9.890 3.327 4.396 1.00 0.00 C ATOM 1289 O ALA A 86 -10.931 3.767 4.878 1.00 0.00 O ATOM 1290 CB ALA A 86 -8.971 5.531 3.573 1.00 0.00 C ATOM 0 H ALA A 86 -7.804 3.130 2.729 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.356 4.438 5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.797 6.035 4.074 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.092 6.175 3.585 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.249 5.316 2.541 1.00 0.00 H new ATOM 1296 N GLU A 87 -9.783 2.074 3.942 1.00 0.00 N ATOM 1297 CA GLU A 87 -10.886 1.125 3.993 1.00 0.00 C ATOM 1298 C GLU A 87 -10.364 -0.262 4.370 1.00 0.00 C ATOM 1299 O GLU A 87 -10.462 -1.192 3.572 1.00 0.00 O ATOM 1300 CB GLU A 87 -11.625 1.082 2.649 1.00 0.00 C ATOM 1301 CG GLU A 87 -12.274 2.427 2.324 1.00 0.00 C ATOM 1302 CD GLU A 87 -13.179 2.316 1.100 1.00 0.00 C ATOM 1303 OE1 GLU A 87 -12.697 1.812 0.061 1.00 0.00 O ATOM 1304 OE2 GLU A 87 -14.353 2.737 1.207 1.00 0.00 O ATOM 0 H GLU A 87 -8.930 1.696 3.531 1.00 0.00 H new ATOM 0 HA GLU A 87 -11.594 1.450 4.755 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -10.926 0.813 1.857 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -12.389 0.305 2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -12.855 2.771 3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -11.501 3.174 2.143 1.00 0.00 H new ATOM 1311 N PRO A 88 -9.805 -0.419 5.578 1.00 0.00 N ATOM 1312 CA PRO A 88 -9.252 -1.680 6.047 1.00 0.00 C ATOM 1313 C PRO A 88 -10.320 -2.764 6.005 1.00 0.00 C ATOM 1314 O PRO A 88 -11.502 -2.488 6.216 1.00 0.00 O ATOM 1315 CB PRO A 88 -8.727 -1.407 7.458 1.00 0.00 C ATOM 1316 CG PRO A 88 -9.497 -0.165 7.902 1.00 0.00 C ATOM 1317 CD PRO A 88 -9.683 0.604 6.599 1.00 0.00 C ATOM 0 HA PRO A 88 -8.440 -2.046 5.418 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.912 -2.251 8.123 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.651 -1.231 7.457 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -10.452 -0.424 8.358 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -8.939 0.415 8.637 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.572 1.234 6.635 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.835 1.260 6.402 1.00 0.00 H new ATOM 1325 N LYS A 89 -9.895 -4.000 5.725 1.00 0.00 N ATOM 1326 CA LYS A 89 -10.796 -5.118 5.479 1.00 0.00 C ATOM 1327 C LYS A 89 -11.688 -5.423 6.683 1.00 0.00 C ATOM 1328 O LYS A 89 -12.853 -5.036 6.680 1.00 0.00 O ATOM 1329 CB LYS A 89 -10.023 -6.345 4.983 1.00 0.00 C ATOM 1330 CG LYS A 89 -8.635 -6.491 5.623 1.00 0.00 C ATOM 1331 CD LYS A 89 -7.977 -7.808 5.199 1.00 0.00 C ATOM 1332 CE LYS A 89 -7.791 -7.850 3.682 1.00 0.00 C ATOM 1333 NZ LYS A 89 -7.104 -9.085 3.257 1.00 0.00 N ATOM 0 H LYS A 89 -8.908 -4.249 5.663 1.00 0.00 H new ATOM 0 HA LYS A 89 -11.477 -4.824 4.680 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -10.607 -7.242 5.191 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -9.911 -6.282 3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -8.004 -5.652 5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -8.725 -6.457 6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -7.011 -7.914 5.693 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -8.593 -8.649 5.519 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.763 -7.786 3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -7.215 -6.982 3.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -7.230 -9.218 2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -6.090 -9.010 3.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.507 -9.899 3.764 1.00 0.00 H new ATOM 1347 N VAL A 90 -11.162 -6.105 7.708 1.00 0.00 N ATOM 1348 CA VAL A 90 -11.965 -6.436 8.882 1.00 0.00 C ATOM 1349 C VAL A 90 -11.151 -6.422 10.171 1.00 0.00 C ATOM 1350 O VAL A 90 -11.615 -5.887 11.175 1.00 0.00 O ATOM 1351 CB VAL A 90 -12.612 -7.819 8.718 1.00 0.00 C ATOM 1352 CG1 VAL A 90 -13.513 -8.101 9.919 1.00 0.00 C ATOM 1353 CG2 VAL A 90 -13.467 -7.919 7.457 1.00 0.00 C ATOM 0 H VAL A 90 -10.197 -6.433 7.745 1.00 0.00 H new ATOM 0 HA VAL A 90 -12.733 -5.666 8.958 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.801 -8.543 8.643 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.974 -9.082 9.806 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.918 -8.083 10.832 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -14.291 -7.339 9.977 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -13.901 -8.917 7.390 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -14.266 -7.178 7.499 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -12.846 -7.734 6.581 1.00 0.00 H new ATOM 1363 N ASN A 91 -9.943 -7.000 10.160 1.00 0.00 N ATOM 1364 CA ASN A 91 -9.162 -7.148 11.384 1.00 0.00 C ATOM 1365 C ASN A 91 -7.726 -6.656 11.239 1.00 0.00 C ATOM 1366 O ASN A 91 -6.956 -6.756 12.194 1.00 0.00 O ATOM 1367 CB ASN A 91 -9.163 -8.613 11.827 1.00 0.00 C ATOM 1368 CG ASN A 91 -10.566 -9.166 12.005 1.00 0.00 C ATOM 1369 OD1 ASN A 91 -11.209 -8.941 13.029 1.00 0.00 O ATOM 1370 ND2 ASN A 91 -11.049 -9.897 11.004 1.00 0.00 N ATOM 0 H ASN A 91 -9.493 -7.368 9.322 1.00 0.00 H new ATOM 0 HA ASN A 91 -9.638 -6.523 12.139 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -8.631 -9.213 11.089 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -8.618 -8.706 12.766 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -11.986 -10.295 11.069 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.482 -10.060 10.172 1.00 0.00 H new ATOM 1377 N ARG A 92 -7.366 -6.137 10.059 1.00 0.00 N ATOM 1378 CA ARG A 92 -6.002 -5.787 9.670 1.00 0.00 C ATOM 1379 C ARG A 92 -5.056 -6.994 9.640 1.00 0.00 C ATOM 1380 O ARG A 92 -4.146 -7.029 8.817 1.00 0.00 O ATOM 1381 CB ARG A 92 -5.472 -4.675 10.582 1.00 0.00 C ATOM 1382 CG ARG A 92 -4.199 -4.075 9.986 1.00 0.00 C ATOM 1383 CD ARG A 92 -3.502 -3.159 10.990 1.00 0.00 C ATOM 1384 NE ARG A 92 -4.364 -2.058 11.434 1.00 0.00 N ATOM 1385 CZ ARG A 92 -4.028 -1.214 12.412 1.00 0.00 C ATOM 1386 NH1 ARG A 92 -2.850 -1.319 13.025 1.00 0.00 N ATOM 1387 NH2 ARG A 92 -4.873 -0.259 12.785 1.00 0.00 N ATOM 0 H ARG A 92 -8.046 -5.943 9.324 1.00 0.00 H new ATOM 0 HA ARG A 92 -6.037 -5.420 8.644 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.228 -3.899 10.701 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -5.266 -5.075 11.575 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.521 -4.875 9.687 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.445 -3.512 9.085 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -3.189 -3.744 11.855 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -2.598 -2.750 10.538 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.265 -1.931 10.972 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.194 -2.050 12.748 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -2.604 -0.669 13.771 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -5.779 -0.171 12.324 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -4.616 0.386 13.532 1.00 0.00 H new ATOM 1401 N GLY A 93 -5.254 -7.983 10.514 1.00 0.00 N ATOM 1402 CA GLY A 93 -4.406 -9.161 10.597 1.00 0.00 C ATOM 1403 C GLY A 93 -3.086 -8.849 11.296 1.00 0.00 C ATOM 1404 O GLY A 93 -2.809 -7.697 11.633 1.00 0.00 O ATOM 0 H GLY A 93 -6.018 -7.983 11.189 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -4.928 -9.950 11.138 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.208 -9.540 9.594 1.00 0.00 H new ATOM 1408 N LYS A 94 -2.273 -9.883 11.516 1.00 0.00 N ATOM 1409 CA LYS A 94 -0.974 -9.738 12.154 1.00 0.00 C ATOM 1410 C LYS A 94 0.051 -10.709 11.569 1.00 0.00 C ATOM 1411 O LYS A 94 1.239 -10.390 11.519 1.00 0.00 O ATOM 1412 CB LYS A 94 -1.143 -9.986 13.650 1.00 0.00 C ATOM 1413 CG LYS A 94 0.149 -9.591 14.357 1.00 0.00 C ATOM 1414 CD LYS A 94 -0.047 -9.561 15.875 1.00 0.00 C ATOM 1415 CE LYS A 94 -0.446 -10.929 16.431 1.00 0.00 C ATOM 1416 NZ LYS A 94 0.626 -11.927 16.244 1.00 0.00 N ATOM 0 H LYS A 94 -2.501 -10.842 11.255 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.600 -8.730 11.975 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.980 -9.405 14.038 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.371 -11.036 13.836 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.939 -10.298 14.102 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.474 -8.611 14.009 1.00 0.00 H new ATOM 0 HD2 LYS A 94 0.876 -9.231 16.353 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.815 -8.830 16.126 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.677 -10.837 17.492 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.354 -11.273 15.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.386 -12.795 16.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.725 -12.145 15.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.523 -11.544 16.605 1.00 0.00 H new ATOM 1430 N ALA A 95 -0.399 -11.886 11.124 1.00 0.00 N ATOM 1431 CA ALA A 95 0.472 -12.891 10.543 1.00 0.00 C ATOM 1432 C ALA A 95 -0.331 -13.850 9.666 1.00 0.00 C ATOM 1433 O ALA A 95 -1.550 -13.958 9.814 1.00 0.00 O ATOM 1434 CB ALA A 95 1.150 -13.661 11.677 1.00 0.00 C ATOM 0 H ALA A 95 -1.380 -12.161 11.160 1.00 0.00 H new ATOM 0 HA ALA A 95 1.223 -12.408 9.918 1.00 0.00 H new ATOM 0 HB1 ALA A 95 1.809 -14.421 11.257 1.00 0.00 H new ATOM 0 HB2 ALA A 95 1.734 -12.971 12.287 1.00 0.00 H new ATOM 0 HB3 ALA A 95 0.391 -14.140 12.296 1.00 0.00 H new ATOM 1440 N GLY A 96 0.354 -14.549 8.757 1.00 0.00 N ATOM 1441 CA GLY A 96 -0.267 -15.565 7.920 1.00 0.00 C ATOM 1442 C GLY A 96 -0.452 -16.877 8.680 1.00 0.00 C ATOM 1443 O GLY A 96 -1.090 -17.800 8.176 1.00 0.00 O ATOM 0 H GLY A 96 1.351 -14.423 8.585 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.235 -15.207 7.568 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.349 -15.738 7.037 1.00 0.00 H new ATOM 1447 N VAL A 97 0.102 -16.964 9.894 1.00 0.00 N ATOM 1448 CA VAL A 97 -0.005 -18.147 10.731 1.00 0.00 C ATOM 1449 C VAL A 97 -1.288 -18.074 11.555 1.00 0.00 C ATOM 1450 O VAL A 97 -1.643 -17.008 12.051 1.00 0.00 O ATOM 1451 CB VAL A 97 1.242 -18.266 11.618 1.00 0.00 C ATOM 1452 CG1 VAL A 97 1.176 -19.515 12.491 1.00 0.00 C ATOM 1453 CG2 VAL A 97 2.498 -18.352 10.749 1.00 0.00 C ATOM 0 H VAL A 97 0.638 -16.208 10.319 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.057 -19.043 10.112 1.00 0.00 H new ATOM 0 HB VAL A 97 1.280 -17.382 12.254 1.00 0.00 H new ATOM 0 HG11 VAL A 97 2.072 -19.575 13.109 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.296 -19.465 13.132 1.00 0.00 H new ATOM 0 HG13 VAL A 97 1.113 -20.399 11.857 1.00 0.00 H new ATOM 0 HG21 VAL A 97 3.377 -18.436 11.388 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.434 -19.227 10.103 1.00 0.00 H new ATOM 0 HG23 VAL A 97 2.579 -17.454 10.137 1.00 0.00 H new ATOM 1463 N LYS A 98 -1.982 -19.208 11.698 1.00 0.00 N ATOM 1464 CA LYS A 98 -3.273 -19.286 12.376 1.00 0.00 C ATOM 1465 C LYS A 98 -3.242 -20.271 13.545 1.00 0.00 C ATOM 1466 O LYS A 98 -4.289 -20.760 13.970 1.00 0.00 O ATOM 1467 CB LYS A 98 -4.368 -19.640 11.363 1.00 0.00 C ATOM 1468 CG LYS A 98 -4.415 -18.666 10.179 1.00 0.00 C ATOM 1469 CD LYS A 98 -4.784 -17.247 10.616 1.00 0.00 C ATOM 1470 CE LYS A 98 -4.741 -16.294 9.418 1.00 0.00 C ATOM 1471 NZ LYS A 98 -5.760 -16.646 8.410 1.00 0.00 N ATOM 0 H LYS A 98 -1.656 -20.106 11.341 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.499 -18.309 12.804 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.200 -20.651 10.991 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.335 -19.642 11.865 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -3.444 -18.651 9.683 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -5.141 -19.020 9.447 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -5.781 -17.243 11.057 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -4.093 -16.905 11.386 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -4.903 -15.272 9.759 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.751 -16.325 8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -5.844 -15.875 7.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -5.478 -17.520 7.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -6.677 -16.791 8.879 1.00 0.00 H new ATOM 1485 N ARG A 99 -2.045 -20.565 14.060 1.00 0.00 N ATOM 1486 CA ARG A 99 -1.838 -21.494 15.164 1.00 0.00 C ATOM 1487 C ARG A 99 -0.984 -20.872 16.263 1.00 0.00 C ATOM 1488 O ARG A 99 -0.466 -19.769 16.104 1.00 0.00 O ATOM 1489 CB ARG A 99 -1.231 -22.789 14.647 1.00 0.00 C ATOM 1490 CG ARG A 99 0.058 -22.549 13.878 1.00 0.00 C ATOM 1491 CD ARG A 99 0.643 -23.931 13.615 1.00 0.00 C ATOM 1492 NE ARG A 99 1.897 -23.860 12.860 1.00 0.00 N ATOM 1493 CZ ARG A 99 2.712 -24.904 12.677 1.00 0.00 C ATOM 1494 NH1 ARG A 99 2.418 -26.091 13.198 1.00 0.00 N ATOM 1495 NH2 ARG A 99 3.828 -24.757 11.973 1.00 0.00 N ATOM 0 H ARG A 99 -1.179 -20.154 13.712 1.00 0.00 H new ATOM 0 HA ARG A 99 -2.806 -21.723 15.610 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -1.033 -23.456 15.486 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -1.950 -23.293 14.001 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.135 -22.021 12.944 1.00 0.00 H new ATOM 0 HG3 ARG A 99 0.749 -21.934 14.454 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.819 -24.437 14.564 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.080 -24.532 13.063 1.00 0.00 H new ATOM 0 HE ARG A 99 2.163 -22.964 12.451 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.564 -26.211 13.743 1.00 0.00 H new ATOM 0 HH12 ARG A 99 3.046 -26.881 13.053 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.063 -23.849 11.573 1.00 0.00 H new ATOM 0 HH22 ARG A 99 4.451 -25.552 11.832 1.00 0.00 H new ATOM 1509 N SER A 100 -0.838 -21.593 17.379 1.00 0.00 N ATOM 1510 CA SER A 100 -0.007 -21.187 18.501 1.00 0.00 C ATOM 1511 C SER A 100 1.460 -21.059 18.096 1.00 0.00 C ATOM 1512 O SER A 100 2.249 -20.451 18.816 1.00 0.00 O ATOM 1513 CB SER A 100 -0.131 -22.244 19.597 1.00 0.00 C ATOM 1514 OG SER A 100 -1.451 -22.270 20.099 1.00 0.00 O ATOM 0 H SER A 100 -1.304 -22.489 17.524 1.00 0.00 H new ATOM 0 HA SER A 100 -0.345 -20.212 18.852 1.00 0.00 H new ATOM 0 HB2 SER A 100 0.135 -23.224 19.200 1.00 0.00 H new ATOM 0 HB3 SER A 100 0.569 -22.026 20.404 1.00 0.00 H new ATOM 0 HG SER A 100 -1.521 -22.952 20.800 1.00 0.00 H new ATOM 1520 N ALA A 101 1.822 -21.635 16.943 1.00 0.00 N ATOM 1521 CA ALA A 101 3.184 -21.681 16.425 1.00 0.00 C ATOM 1522 C ALA A 101 4.175 -22.277 17.438 1.00 0.00 C ATOM 1523 O ALA A 101 5.386 -22.149 17.274 1.00 0.00 O ATOM 1524 CB ALA A 101 3.603 -20.296 15.926 1.00 0.00 C ATOM 0 H ALA A 101 1.149 -22.095 16.330 1.00 0.00 H new ATOM 0 HA ALA A 101 3.204 -22.360 15.573 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.622 -20.341 15.541 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.929 -19.976 15.132 1.00 0.00 H new ATOM 0 HB3 ALA A 101 3.557 -19.583 16.750 1.00 0.00 H new ATOM 1530 N ALA A 102 3.652 -22.926 18.483 1.00 0.00 N ATOM 1531 CA ALA A 102 4.444 -23.545 19.532 1.00 0.00 C ATOM 1532 C ALA A 102 3.802 -24.859 19.978 1.00 0.00 C ATOM 1533 O ALA A 102 4.185 -25.426 21.000 1.00 0.00 O ATOM 1534 CB ALA A 102 4.588 -22.568 20.700 1.00 0.00 C ATOM 0 H ALA A 102 2.647 -23.034 18.619 1.00 0.00 H new ATOM 0 HA ALA A 102 5.438 -23.779 19.152 1.00 0.00 H new ATOM 0 HB1 ALA A 102 5.182 -23.029 21.489 1.00 0.00 H new ATOM 0 HB2 ALA A 102 5.084 -21.660 20.356 1.00 0.00 H new ATOM 0 HB3 ALA A 102 3.601 -22.317 21.088 1.00 0.00 H new ATOM 1540 N GLU A 103 2.819 -25.345 19.211 1.00 0.00 N ATOM 1541 CA GLU A 103 2.076 -26.555 19.541 1.00 0.00 C ATOM 1542 C GLU A 103 2.949 -27.807 19.449 1.00 0.00 C ATOM 1543 O GLU A 103 2.523 -28.893 19.837 1.00 0.00 O ATOM 1544 CB GLU A 103 0.868 -26.668 18.607 1.00 0.00 C ATOM 1545 CG GLU A 103 1.306 -26.869 17.152 1.00 0.00 C ATOM 1546 CD GLU A 103 0.120 -26.942 16.192 1.00 0.00 C ATOM 1547 OE1 GLU A 103 -1.020 -27.143 16.669 1.00 0.00 O ATOM 1548 OE2 GLU A 103 0.366 -26.792 14.974 1.00 0.00 O ATOM 0 H GLU A 103 2.519 -24.904 18.341 1.00 0.00 H new ATOM 0 HA GLU A 103 1.740 -26.483 20.575 1.00 0.00 H new ATOM 0 HB2 GLU A 103 0.241 -27.503 18.919 1.00 0.00 H new ATOM 0 HB3 GLU A 103 0.260 -25.767 18.685 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.960 -26.049 16.856 1.00 0.00 H new ATOM 0 HG3 GLU A 103 1.890 -27.786 17.074 1.00 0.00 H new ATOM 1555 N MET A 104 4.176 -27.658 18.934 1.00 0.00 N ATOM 1556 CA MET A 104 5.111 -28.756 18.755 1.00 0.00 C ATOM 1557 C MET A 104 6.196 -28.748 19.835 1.00 0.00 C ATOM 1558 O MET A 104 7.082 -29.602 19.821 1.00 0.00 O ATOM 1559 CB MET A 104 5.733 -28.659 17.361 1.00 0.00 C ATOM 1560 CG MET A 104 4.657 -28.735 16.278 1.00 0.00 C ATOM 1561 SD MET A 104 5.284 -28.553 14.587 1.00 0.00 S ATOM 1562 CE MET A 104 5.798 -26.816 14.649 1.00 0.00 C ATOM 0 H MET A 104 4.544 -26.757 18.629 1.00 0.00 H new ATOM 0 HA MET A 104 4.571 -29.698 18.850 1.00 0.00 H new ATOM 0 HB2 MET A 104 6.283 -27.723 17.268 1.00 0.00 H new ATOM 0 HB3 MET A 104 6.452 -29.466 17.222 1.00 0.00 H new ATOM 0 HG2 MET A 104 4.142 -29.692 16.361 1.00 0.00 H new ATOM 0 HG3 MET A 104 3.916 -27.957 16.464 1.00 0.00 H new ATOM 0 HE1 MET A 104 5.926 -26.438 13.635 1.00 0.00 H new ATOM 0 HE2 MET A 104 5.036 -26.229 15.161 1.00 0.00 H new ATOM 0 HE3 MET A 104 6.742 -26.735 15.189 1.00 0.00 H new ATOM 1572 N TYR A 105 6.136 -27.792 20.766 1.00 0.00 N ATOM 1573 CA TYR A 105 7.149 -27.637 21.803 1.00 0.00 C ATOM 1574 C TYR A 105 6.526 -27.450 23.187 1.00 0.00 C ATOM 1575 O TYR A 105 7.247 -27.274 24.171 1.00 0.00 O ATOM 1576 CB TYR A 105 8.051 -26.453 21.449 1.00 0.00 C ATOM 1577 CG TYR A 105 8.554 -26.483 20.024 1.00 0.00 C ATOM 1578 CD1 TYR A 105 9.620 -27.322 19.665 1.00 0.00 C ATOM 1579 CD2 TYR A 105 7.946 -25.667 19.057 1.00 0.00 C ATOM 1580 CE1 TYR A 105 10.071 -27.356 18.338 1.00 0.00 C ATOM 1581 CE2 TYR A 105 8.391 -25.694 17.729 1.00 0.00 C ATOM 1582 CZ TYR A 105 9.457 -26.541 17.364 1.00 0.00 C ATOM 1583 OH TYR A 105 9.892 -26.571 16.072 1.00 0.00 O ATOM 0 H TYR A 105 5.383 -27.106 20.819 1.00 0.00 H new ATOM 0 HA TYR A 105 7.742 -28.551 21.847 1.00 0.00 H new ATOM 0 HB2 TYR A 105 7.501 -25.526 21.612 1.00 0.00 H new ATOM 0 HB3 TYR A 105 8.904 -26.441 22.127 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.093 -27.942 20.412 1.00 0.00 H new ATOM 0 HD2 TYR A 105 7.132 -25.016 19.338 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.888 -28.006 18.062 1.00 0.00 H new ATOM 0 HE2 TYR A 105 7.919 -25.068 16.987 1.00 0.00 H new ATOM 0 HH TYR A 105 9.359 -25.950 15.533 1.00 0.00 H new ATOM 1593 N GLY A 106 5.192 -27.487 23.269 1.00 0.00 N ATOM 1594 CA GLY A 106 4.471 -27.325 24.522 1.00 0.00 C ATOM 1595 C GLY A 106 4.682 -28.523 25.443 1.00 0.00 C ATOM 1596 O GLY A 106 5.382 -29.465 25.080 1.00 0.00 O ATOM 1597 OXT GLY A 106 4.167 -28.572 26.547 1.00 0.00 O ATOM 0 H GLY A 106 4.586 -27.631 22.461 1.00 0.00 H new ATOM 0 HA2 GLY A 106 4.806 -26.416 25.022 1.00 0.00 H new ATOM 0 HA3 GLY A 106 3.407 -27.203 24.319 1.00 0.00 H new TER 1601 GLY A 106 ATOM 1602 O5' U B 1 2.352 -7.596 11.048 1.00 0.00 O ATOM 1603 C5' U B 1 3.154 -6.654 10.366 1.00 0.00 C ATOM 1604 C4' U B 1 2.307 -5.511 9.797 1.00 0.00 C ATOM 1605 O4' U B 1 1.579 -5.985 8.671 1.00 0.00 O ATOM 1606 C3' U B 1 1.310 -4.979 10.829 1.00 0.00 C ATOM 1607 O3' U B 1 1.153 -3.579 10.660 1.00 0.00 O ATOM 1608 C2' U B 1 0.051 -5.756 10.462 1.00 0.00 C ATOM 1609 O2' U B 1 -1.137 -5.077 10.799 1.00 0.00 O ATOM 1610 C1' U B 1 0.194 -5.902 8.952 1.00 0.00 C ATOM 1611 N1 U B 1 -0.533 -7.087 8.455 1.00 0.00 N ATOM 1612 C2 U B 1 -1.543 -6.894 7.521 1.00 0.00 C ATOM 1613 O2 U B 1 -1.858 -5.781 7.107 1.00 0.00 O ATOM 1614 N3 U B 1 -2.194 -8.030 7.070 1.00 0.00 N ATOM 1615 C4 U B 1 -1.957 -9.324 7.492 1.00 0.00 C ATOM 1616 O4 U B 1 -2.614 -10.261 7.042 1.00 0.00 O ATOM 1617 C5 U B 1 -0.901 -9.434 8.473 1.00 0.00 C ATOM 1618 C6 U B 1 -0.232 -8.342 8.911 1.00 0.00 C ATOM 0 H5' U B 1 3.692 -7.149 9.557 1.00 0.00 H new ATOM 0 H5'' U B 1 3.903 -6.250 11.047 1.00 0.00 H new ATOM 0 H4' U B 1 2.982 -4.702 9.516 1.00 0.00 H new ATOM 0 H3' U B 1 1.598 -5.109 11.872 1.00 0.00 H new ATOM 0 H2' U B 1 -0.030 -6.700 11.001 1.00 0.00 H new ATOM 0 HO2' U B 1 -0.997 -4.562 11.621 1.00 0.00 H new ATOM 0 HO5' U B 1 2.918 -8.315 11.399 1.00 0.00 H new ATOM 0 H1' U B 1 -0.245 -5.045 8.442 1.00 0.00 H new ATOM 0 H3 U B 1 -2.915 -7.899 6.361 1.00 0.00 H new ATOM 0 H5 U B 1 -0.641 -10.407 8.864 1.00 0.00 H new ATOM 0 H6 U B 1 0.558 -8.464 9.637 1.00 0.00 H new ATOM 1629 P U B 2 0.717 -2.649 11.903 1.00 0.00 P ATOM 1630 OP1 U B 2 1.783 -2.736 12.929 1.00 0.00 O ATOM 1631 OP2 U B 2 -0.677 -2.976 12.275 1.00 0.00 O ATOM 1632 O5' U B 2 0.733 -1.159 11.296 1.00 0.00 O ATOM 1633 C5' U B 2 -0.154 -0.794 10.260 1.00 0.00 C ATOM 1634 C4' U B 2 -0.134 0.721 10.047 1.00 0.00 C ATOM 1635 O4' U B 2 -0.814 1.016 8.835 1.00 0.00 O ATOM 1636 C3' U B 2 -0.899 1.423 11.174 1.00 0.00 C ATOM 1637 O3' U B 2 -0.476 2.764 11.336 1.00 0.00 O ATOM 1638 C2' U B 2 -2.313 1.394 10.607 1.00 0.00 C ATOM 1639 O2' U B 2 -3.154 2.361 11.202 1.00 0.00 O ATOM 1640 C1' U B 2 -2.031 1.678 9.140 1.00 0.00 C ATOM 1641 N1 U B 2 -3.146 1.247 8.263 1.00 0.00 N ATOM 1642 C2 U B 2 -3.716 2.204 7.434 1.00 0.00 C ATOM 1643 O2 U B 2 -3.318 3.364 7.393 1.00 0.00 O ATOM 1644 N3 U B 2 -4.774 1.792 6.642 1.00 0.00 N ATOM 1645 C4 U B 2 -5.292 0.510 6.589 1.00 0.00 C ATOM 1646 O4 U B 2 -6.221 0.243 5.831 1.00 0.00 O ATOM 1647 C5 U B 2 -4.640 -0.424 7.483 1.00 0.00 C ATOM 1648 C6 U B 2 -3.613 -0.042 8.277 1.00 0.00 C ATOM 0 H5' U B 2 -1.165 -1.119 10.507 1.00 0.00 H new ATOM 0 H5'' U B 2 0.127 -1.301 9.337 1.00 0.00 H new ATOM 0 H4' U B 2 0.902 1.060 10.024 1.00 0.00 H new ATOM 0 H3' U B 2 -0.771 0.960 12.152 1.00 0.00 H new ATOM 0 H2' U B 2 -2.854 0.465 10.786 1.00 0.00 H new ATOM 0 HO2' U B 2 -2.606 3.055 11.625 1.00 0.00 H new ATOM 0 H1' U B 2 -1.941 2.749 8.960 1.00 0.00 H new ATOM 0 H3 U B 2 -5.210 2.495 6.045 1.00 0.00 H new ATOM 0 H5 U B 2 -4.981 -1.448 7.517 1.00 0.00 H new ATOM 0 H6 U B 2 -3.153 -0.766 8.934 1.00 0.00 H new ATOM 1659 P U B 3 0.689 3.163 12.378 1.00 0.00 P ATOM 1660 OP1 U B 3 1.189 1.933 13.032 1.00 0.00 O ATOM 1661 OP2 U B 3 0.181 4.274 13.215 1.00 0.00 O ATOM 1662 O5' U B 3 1.862 3.755 11.447 1.00 0.00 O ATOM 1663 C5' U B 3 2.899 2.934 10.954 1.00 0.00 C ATOM 1664 C4' U B 3 3.870 3.735 10.077 1.00 0.00 C ATOM 1665 O4' U B 3 3.339 3.909 8.774 1.00 0.00 O ATOM 1666 C3' U B 3 4.151 5.118 10.666 1.00 0.00 C ATOM 1667 O3' U B 3 5.486 5.477 10.373 1.00 0.00 O ATOM 1668 C2' U B 3 3.143 5.986 9.916 1.00 0.00 C ATOM 1669 O2' U B 3 3.588 7.316 9.745 1.00 0.00 O ATOM 1670 C1' U B 3 3.022 5.275 8.571 1.00 0.00 C ATOM 1671 N1 U B 3 1.671 5.424 7.992 1.00 0.00 N ATOM 1672 C2 U B 3 1.564 6.036 6.751 1.00 0.00 C ATOM 1673 O2 U B 3 2.546 6.444 6.130 1.00 0.00 O ATOM 1674 N3 U B 3 0.287 6.170 6.238 1.00 0.00 N ATOM 1675 C4 U B 3 -0.881 5.745 6.851 1.00 0.00 C ATOM 1676 O4 U B 3 -1.968 5.907 6.303 1.00 0.00 O ATOM 1677 C5 U B 3 -0.679 5.120 8.138 1.00 0.00 C ATOM 1678 C6 U B 3 0.561 4.975 8.657 1.00 0.00 C ATOM 0 H5' U B 3 2.474 2.114 10.375 1.00 0.00 H new ATOM 0 H5'' U B 3 3.441 2.488 11.788 1.00 0.00 H new ATOM 0 H4' U B 3 4.799 3.166 10.034 1.00 0.00 H new ATOM 0 H3' U B 3 4.050 5.200 11.748 1.00 0.00 H new ATOM 0 H2' U B 3 2.200 6.084 10.454 1.00 0.00 H new ATOM 0 HO2' U B 3 4.058 7.610 10.553 1.00 0.00 H new ATOM 0 H1' U B 3 3.712 5.724 7.857 1.00 0.00 H new ATOM 0 H3 U B 3 0.197 6.622 5.328 1.00 0.00 H new ATOM 0 H5 U B 3 -1.533 4.763 8.695 1.00 0.00 H new ATOM 0 H6 U B 3 0.679 4.495 9.617 1.00 0.00 H new ATOM 1689 P U B 4 6.312 6.439 11.363 1.00 0.00 P ATOM 1690 OP1 U B 4 6.655 5.667 12.580 1.00 0.00 O ATOM 1691 OP2 U B 4 5.582 7.722 11.492 1.00 0.00 O ATOM 1692 O5' U B 4 7.660 6.697 10.520 1.00 0.00 O ATOM 1693 C5' U B 4 8.579 5.650 10.299 1.00 0.00 C ATOM 1694 C4' U B 4 9.653 6.046 9.285 1.00 0.00 C ATOM 1695 O4' U B 4 9.050 6.414 8.050 1.00 0.00 O ATOM 1696 C3' U B 4 10.478 7.236 9.781 1.00 0.00 C ATOM 1697 O3' U B 4 11.810 7.138 9.315 1.00 0.00 O ATOM 1698 C2' U B 4 9.768 8.404 9.116 1.00 0.00 C ATOM 1699 O2' U B 4 10.642 9.500 8.925 1.00 0.00 O ATOM 1700 C1' U B 4 9.268 7.795 7.807 1.00 0.00 C ATOM 1701 N1 U B 4 8.040 8.491 7.369 1.00 0.00 N ATOM 1702 C2 U B 4 8.192 9.659 6.634 1.00 0.00 C ATOM 1703 O2 U B 4 9.290 10.112 6.313 1.00 0.00 O ATOM 1704 N3 U B 4 7.022 10.305 6.266 1.00 0.00 N ATOM 1705 C4 U B 4 5.737 9.868 6.527 1.00 0.00 C ATOM 1706 O4 U B 4 4.773 10.503 6.108 1.00 0.00 O ATOM 1707 C5 U B 4 5.672 8.649 7.294 1.00 0.00 C ATOM 1708 C6 U B 4 6.798 8.012 7.688 1.00 0.00 C ATOM 0 H5' U B 4 8.047 4.768 9.941 1.00 0.00 H new ATOM 0 H5'' U B 4 9.052 5.376 11.242 1.00 0.00 H new ATOM 0 H4' U B 4 10.305 5.183 9.153 1.00 0.00 H new ATOM 0 H3' U B 4 10.542 7.314 10.866 1.00 0.00 H new ATOM 0 H2' U B 4 8.956 8.824 9.710 1.00 0.00 H new ATOM 0 HO2' U B 4 10.410 9.962 8.092 1.00 0.00 H new ATOM 0 H1' U B 4 9.992 7.909 7.001 1.00 0.00 H new ATOM 0 H3 U B 4 7.118 11.183 5.756 1.00 0.00 H new ATOM 0 H5 U B 4 4.709 8.238 7.558 1.00 0.00 H new ATOM 0 H6 U B 4 6.715 7.104 8.268 1.00 0.00 H new ATOM 1719 P C B 5 12.887 6.216 10.077 1.00 0.00 P ATOM 1720 OP1 C B 5 14.142 6.218 9.288 1.00 0.00 O ATOM 1721 OP2 C B 5 12.243 4.926 10.425 1.00 0.00 O ATOM 1722 O5' C B 5 13.138 7.035 11.438 1.00 0.00 O ATOM 1723 C5' C B 5 13.919 8.212 11.444 1.00 0.00 C ATOM 1724 C4' C B 5 13.894 8.850 12.835 1.00 0.00 C ATOM 1725 O4' C B 5 14.598 8.024 13.756 1.00 0.00 O ATOM 1726 C3' C B 5 14.603 10.203 12.814 1.00 0.00 C ATOM 1727 O3' C B 5 13.966 11.072 13.731 1.00 0.00 O ATOM 1728 C2' C B 5 16.000 9.837 13.298 1.00 0.00 C ATOM 1729 O2' C B 5 16.687 10.942 13.855 1.00 0.00 O ATOM 1730 C1' C B 5 15.650 8.780 14.338 1.00 0.00 C ATOM 1731 N1 C B 5 16.837 7.964 14.695 1.00 0.00 N ATOM 1732 C2 C B 5 17.314 7.013 13.795 1.00 0.00 C ATOM 1733 O2 C B 5 16.791 6.854 12.694 1.00 0.00 O ATOM 1734 N3 C B 5 18.382 6.254 14.152 1.00 0.00 N ATOM 1735 C4 C B 5 18.974 6.429 15.335 1.00 0.00 C ATOM 1736 N4 C B 5 20.017 5.660 15.635 1.00 0.00 N ATOM 1737 C5 C B 5 18.525 7.413 16.264 1.00 0.00 C ATOM 1738 C6 C B 5 17.454 8.154 15.900 1.00 0.00 C ATOM 0 H5' C B 5 13.536 8.916 10.705 1.00 0.00 H new ATOM 0 H5'' C B 5 14.945 7.979 11.160 1.00 0.00 H new ATOM 0 H4' C B 5 12.851 8.969 13.130 1.00 0.00 H new ATOM 0 H3' C B 5 14.600 10.708 11.848 1.00 0.00 H new ATOM 0 H2' C B 5 16.681 9.500 12.517 1.00 0.00 H new ATOM 0 HO2' C B 5 17.577 10.658 14.152 1.00 0.00 H new ATOM 0 HO3' C B 5 14.643 11.590 14.215 1.00 0.00 H new ATOM 0 H1' C B 5 15.329 9.212 15.286 1.00 0.00 H new ATOM 0 H41 C B 5 20.491 5.770 16.532 1.00 0.00 H new ATOM 0 H42 C B 5 20.343 4.960 14.968 1.00 0.00 H new ATOM 0 H5 C B 5 19.017 7.560 17.214 1.00 0.00 H new ATOM 0 H6 C B 5 17.079 8.910 16.574 1.00 0.00 H new TER 1750 C B 5