USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 737 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 74 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 88 HIS : no HE2:sc= -7.75! C(o=-7.8!,f=-8.8!) USER MOD Set 2.1: A 80 GLN : amide:sc= 0.0726 X(o=0.05,f=-0.1) USER MOD Set 2.2: A 81 GLN :FLIP amide:sc= -0.0222 X(o=-0.16,f=0.05) USER MOD Set 3.1: A 48 LYS NZ :NH3+ -133:sc= 0.555 (180deg=-0.727!) USER MOD Set 3.2: A 71 TYR OH : rot -46:sc= 0.0232 USER MOD Set 4.1: A 11 GLN : amide:sc= 0.0641 K(o=0.56,f=-1.3) USER MOD Set 4.2: A 22 ASN : amide:sc= 0.493 K(o=0.56,f=-1.3) USER MOD Single : A 1 ALA N :NH3+ -103:sc= 0.102 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0.00758 USER MOD Single : A 7 LYS NZ :NH3+ 138:sc= -1.17 (180deg=-1.32) USER MOD Single : A 12 MET CE :methyl 167:sc= -2.45! (180deg=-3.32!) USER MOD Single : A 17 ASN : amide:sc= 0.259 K(o=0.26,f=-4.9!) USER MOD Single : A 18 SER OG : rot -170:sc= -0.087 USER MOD Single : A 20 LYS NZ :NH3+ -160:sc= -0.0322 (180deg=-0.486) USER MOD Single : A 25 LYS NZ :NH3+ -119:sc= 0.666 (180deg=0) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.142 F(o=-2.8!,f=-0.14) USER MOD Single : A 31 SER OG : rot -48:sc= 0.368 USER MOD Single : A 35 HIS : no HE2:sc= -4.19 K(o=-4.2,f=-6.9!) USER MOD Single : A 36 TYR OH : rot 165:sc= -0.0958 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot 30:sc= -1.25 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 42:sc= 0.862 USER MOD Single : A 57 SER OG : rot 77:sc= 0.0996 USER MOD Single : A 59 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.0086) USER MOD Single : A 61 MET CE :methyl -157:sc= -0.293 (180deg=-0.933) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.213 K(o=-0.21,f=-2.1!) USER MOD Single : A 79 ASN : amide:sc= -7.38! C(o=-7.4!,f=-11!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 179:sc= 0.81 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot -129:sc= 0.277 USER MOD Single : A 94 SER OG : rot 93:sc= 0.623 USER MOD Single : A 96 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.790 17.506 12.601 1.00 0.00 N ATOM 2 CA ALA A 1 4.023 18.144 11.497 1.00 0.00 C ATOM 3 C ALA A 1 4.091 17.274 10.238 1.00 0.00 C ATOM 4 O ALA A 1 4.774 16.270 10.208 1.00 0.00 O ATOM 5 CB ALA A 1 4.609 19.523 11.182 1.00 0.00 C ATOM 0 H1 ALA A 1 4.130 17.061 13.270 1.00 0.00 H new ATOM 0 H2 ALA A 1 5.426 16.783 12.209 1.00 0.00 H new ATOM 0 H3 ALA A 1 5.351 18.228 13.097 1.00 0.00 H new ATOM 0 HA ALA A 1 2.985 18.250 11.812 1.00 0.00 H new ATOM 0 HB1 ALA A 1 4.042 19.983 10.373 1.00 0.00 H new ATOM 0 HB2 ALA A 1 4.552 20.154 12.069 1.00 0.00 H new ATOM 0 HB3 ALA A 1 5.651 19.415 10.879 1.00 0.00 H new ATOM 13 N GLY A 2 3.374 17.689 9.228 1.00 0.00 N ATOM 14 CA GLY A 2 3.357 16.915 7.953 1.00 0.00 C ATOM 15 C GLY A 2 1.934 16.451 7.631 1.00 0.00 C ATOM 16 O GLY A 2 1.028 16.612 8.424 1.00 0.00 O ATOM 0 H GLY A 2 2.799 18.531 9.231 1.00 0.00 H new ATOM 0 HA2 GLY A 2 3.738 17.533 7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.018 16.052 8.035 1.00 0.00 H new ATOM 20 N PRO A 3 1.781 15.885 6.463 1.00 0.00 N ATOM 21 CA PRO A 3 0.464 15.400 5.980 1.00 0.00 C ATOM 22 C PRO A 3 -0.154 14.332 6.882 1.00 0.00 C ATOM 23 O PRO A 3 0.501 13.753 7.726 1.00 0.00 O ATOM 24 CB PRO A 3 0.762 14.760 4.618 1.00 0.00 C ATOM 25 CG PRO A 3 2.253 14.996 4.297 1.00 0.00 C ATOM 26 CD PRO A 3 2.895 15.695 5.502 1.00 0.00 C ATOM 0 HA PRO A 3 -0.246 16.227 5.951 1.00 0.00 H new ATOM 0 HB2 PRO A 3 0.541 13.693 4.642 1.00 0.00 H new ATOM 0 HB3 PRO A 3 0.131 15.199 3.845 1.00 0.00 H new ATOM 0 HG2 PRO A 3 2.753 14.049 4.095 1.00 0.00 H new ATOM 0 HG3 PRO A 3 2.357 15.609 3.402 1.00 0.00 H new ATOM 0 HD2 PRO A 3 3.692 15.089 5.934 1.00 0.00 H new ATOM 0 HD3 PRO A 3 3.339 16.649 5.217 1.00 0.00 H new ATOM 34 N SER A 4 -1.420 14.110 6.659 1.00 0.00 N ATOM 35 CA SER A 4 -2.120 12.985 7.337 1.00 0.00 C ATOM 36 C SER A 4 -1.922 11.716 6.505 1.00 0.00 C ATOM 37 O SER A 4 -1.458 11.779 5.382 1.00 0.00 O ATOM 38 CB SER A 4 -3.616 13.317 7.392 1.00 0.00 C ATOM 39 OG SER A 4 -3.637 14.725 7.579 1.00 0.00 O ATOM 0 H SER A 4 -2.003 14.664 6.032 1.00 0.00 H new ATOM 0 HA SER A 4 -1.727 12.836 8.343 1.00 0.00 H new ATOM 0 HB2 SER A 4 -4.126 13.027 6.473 1.00 0.00 H new ATOM 0 HB3 SER A 4 -4.113 12.796 8.210 1.00 0.00 H new ATOM 0 HG SER A 4 -4.566 15.035 7.625 1.00 0.00 H new ATOM 45 N ALA A 5 -2.295 10.597 7.060 1.00 0.00 N ATOM 46 CA ALA A 5 -2.118 9.322 6.308 1.00 0.00 C ATOM 47 C ALA A 5 -3.227 9.213 5.255 1.00 0.00 C ATOM 48 O ALA A 5 -4.366 9.538 5.526 1.00 0.00 O ATOM 49 CB ALA A 5 -2.230 8.160 7.296 1.00 0.00 C ATOM 0 H ALA A 5 -2.709 10.509 7.988 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.146 9.296 5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.103 7.217 6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.456 8.254 8.058 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.211 8.180 7.771 1.00 0.00 H new ATOM 55 N PRO A 6 -2.872 8.756 4.081 1.00 0.00 N ATOM 56 CA PRO A 6 -3.837 8.663 2.961 1.00 0.00 C ATOM 57 C PRO A 6 -4.870 7.572 3.237 1.00 0.00 C ATOM 58 O PRO A 6 -4.723 6.791 4.156 1.00 0.00 O ATOM 59 CB PRO A 6 -2.977 8.249 1.755 1.00 0.00 C ATOM 60 CG PRO A 6 -1.629 7.733 2.317 1.00 0.00 C ATOM 61 CD PRO A 6 -1.508 8.262 3.759 1.00 0.00 C ATOM 0 HA PRO A 6 -4.379 9.596 2.806 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -3.475 7.473 1.174 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -2.818 9.095 1.086 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -1.597 6.644 2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -0.797 8.084 1.707 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -1.196 7.476 4.447 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -0.768 9.060 3.830 1.00 0.00 H new ATOM 69 N LYS A 7 -5.897 7.546 2.432 1.00 0.00 N ATOM 70 CA LYS A 7 -6.861 6.414 2.528 1.00 0.00 C ATOM 71 C LYS A 7 -6.466 5.381 1.475 1.00 0.00 C ATOM 72 O LYS A 7 -6.100 5.734 0.372 1.00 0.00 O ATOM 73 CB LYS A 7 -8.281 6.929 2.257 1.00 0.00 C ATOM 74 CG LYS A 7 -9.275 5.763 2.392 1.00 0.00 C ATOM 75 CD LYS A 7 -9.583 5.184 1.003 1.00 0.00 C ATOM 76 CE LYS A 7 -10.621 6.071 0.308 1.00 0.00 C ATOM 77 NZ LYS A 7 -11.040 5.446 -0.979 1.00 0.00 N ATOM 0 H LYS A 7 -6.108 8.248 1.723 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.840 5.967 3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.534 7.722 2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -8.340 7.359 1.257 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.857 4.989 3.035 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -10.194 6.109 2.865 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.672 5.133 0.406 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -9.960 4.166 1.096 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.487 6.208 0.955 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -10.202 7.060 0.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.070 5.540 -1.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.560 5.923 -1.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.783 4.438 -0.976 1.00 0.00 H new ATOM 91 N LEU A 8 -6.520 4.130 1.842 1.00 0.00 N ATOM 92 CA LEU A 8 -6.114 3.076 0.873 1.00 0.00 C ATOM 93 C LEU A 8 -7.351 2.330 0.371 1.00 0.00 C ATOM 94 O LEU A 8 -7.953 1.552 1.087 1.00 0.00 O ATOM 95 CB LEU A 8 -5.160 2.098 1.572 1.00 0.00 C ATOM 96 CG LEU A 8 -3.985 2.876 2.194 1.00 0.00 C ATOM 97 CD1 LEU A 8 -3.063 1.882 2.906 1.00 0.00 C ATOM 98 CD2 LEU A 8 -3.174 3.581 1.097 1.00 0.00 C ATOM 0 H LEU A 8 -6.823 3.796 2.757 1.00 0.00 H new ATOM 0 HA LEU A 8 -5.610 3.532 0.021 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -5.693 1.545 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.786 1.365 0.857 1.00 0.00 H new ATOM 0 HG LEU A 8 -4.377 3.617 2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.225 2.418 3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -3.620 1.364 3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.687 1.155 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.347 4.127 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.781 2.839 0.401 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.817 4.278 0.560 1.00 0.00 H new ATOM 110 N GLU A 9 -7.698 2.598 -0.858 1.00 0.00 N ATOM 111 CA GLU A 9 -8.891 1.934 -1.457 1.00 0.00 C ATOM 112 C GLU A 9 -8.452 0.596 -2.053 1.00 0.00 C ATOM 113 O GLU A 9 -7.399 0.510 -2.651 1.00 0.00 O ATOM 114 CB GLU A 9 -9.435 2.832 -2.572 1.00 0.00 C ATOM 115 CG GLU A 9 -10.914 2.509 -2.802 1.00 0.00 C ATOM 116 CD GLU A 9 -11.496 3.531 -3.783 1.00 0.00 C ATOM 117 OE1 GLU A 9 -11.103 3.460 -4.936 1.00 0.00 O ATOM 118 OE2 GLU A 9 -12.297 4.328 -3.321 1.00 0.00 O ATOM 0 H GLU A 9 -7.208 3.247 -1.473 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.661 1.769 -0.704 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.318 3.881 -2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -8.869 2.675 -3.490 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.022 1.500 -3.200 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -11.458 2.540 -1.858 1.00 0.00 H new ATOM 125 N GLY A 10 -9.279 -0.402 -1.897 1.00 0.00 N ATOM 126 CA GLY A 10 -8.870 -1.770 -2.323 1.00 0.00 C ATOM 127 C GLY A 10 -9.546 -2.186 -3.628 1.00 0.00 C ATOM 128 O GLY A 10 -10.756 -2.249 -3.713 1.00 0.00 O ATOM 0 H GLY A 10 -10.214 -0.330 -1.496 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.788 -1.803 -2.448 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.122 -2.485 -1.540 1.00 0.00 H new ATOM 132 N GLN A 11 -8.737 -2.452 -4.620 1.00 0.00 N ATOM 133 CA GLN A 11 -9.282 -2.992 -5.897 1.00 0.00 C ATOM 134 C GLN A 11 -8.639 -4.356 -6.165 1.00 0.00 C ATOM 135 O GLN A 11 -7.436 -4.464 -6.297 1.00 0.00 O ATOM 136 CB GLN A 11 -8.924 -2.014 -7.021 1.00 0.00 C ATOM 137 CG GLN A 11 -9.509 -0.635 -6.682 1.00 0.00 C ATOM 138 CD GLN A 11 -9.005 0.396 -7.696 1.00 0.00 C ATOM 139 OE1 GLN A 11 -8.707 1.525 -7.358 1.00 0.00 O ATOM 140 NE2 GLN A 11 -8.897 0.053 -8.951 1.00 0.00 N ATOM 0 H GLN A 11 -7.726 -2.319 -4.600 1.00 0.00 H new ATOM 0 HA GLN A 11 -10.364 -3.109 -5.843 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -7.842 -1.948 -7.133 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -9.322 -2.369 -7.972 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.598 -0.676 -6.699 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.217 -0.342 -5.674 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.145 -0.892 -9.245 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.565 0.730 -9.638 1.00 0.00 H new ATOM 149 N MET A 12 -9.454 -5.375 -6.199 1.00 0.00 N ATOM 150 CA MET A 12 -8.919 -6.744 -6.452 1.00 0.00 C ATOM 151 C MET A 12 -9.159 -7.114 -7.917 1.00 0.00 C ATOM 152 O MET A 12 -10.247 -6.945 -8.432 1.00 0.00 O ATOM 153 CB MET A 12 -9.669 -7.726 -5.541 1.00 0.00 C ATOM 154 CG MET A 12 -9.135 -9.145 -5.769 1.00 0.00 C ATOM 155 SD MET A 12 -7.502 -9.531 -5.093 1.00 0.00 S ATOM 156 CE MET A 12 -7.991 -9.592 -3.352 1.00 0.00 C ATOM 0 H MET A 12 -10.463 -5.320 -6.063 1.00 0.00 H new ATOM 0 HA MET A 12 -7.850 -6.783 -6.245 1.00 0.00 H new ATOM 0 HB2 MET A 12 -9.540 -7.441 -4.497 1.00 0.00 H new ATOM 0 HB3 MET A 12 -10.738 -7.690 -5.752 1.00 0.00 H new ATOM 0 HG2 MET A 12 -9.851 -9.848 -5.344 1.00 0.00 H new ATOM 0 HG3 MET A 12 -9.108 -9.327 -6.843 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.190 -10.041 -2.765 1.00 0.00 H new ATOM 0 HE2 MET A 12 -8.182 -8.581 -2.992 1.00 0.00 H new ATOM 0 HE3 MET A 12 -8.896 -10.191 -3.249 1.00 0.00 H new ATOM 166 N GLY A 13 -8.134 -7.614 -8.554 1.00 0.00 N ATOM 167 CA GLY A 13 -8.256 -7.951 -10.001 1.00 0.00 C ATOM 168 C GLY A 13 -8.752 -9.385 -10.202 1.00 0.00 C ATOM 169 O GLY A 13 -8.431 -10.280 -9.445 1.00 0.00 O ATOM 0 H GLY A 13 -7.222 -7.803 -8.137 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.945 -7.256 -10.481 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.288 -7.828 -10.487 1.00 0.00 H new ATOM 173 N GLU A 14 -9.468 -9.578 -11.279 1.00 0.00 N ATOM 174 CA GLU A 14 -10.060 -10.918 -11.561 1.00 0.00 C ATOM 175 C GLU A 14 -8.984 -11.980 -11.819 1.00 0.00 C ATOM 176 O GLU A 14 -9.276 -13.059 -12.299 1.00 0.00 O ATOM 177 CB GLU A 14 -10.948 -10.794 -12.803 1.00 0.00 C ATOM 178 CG GLU A 14 -12.099 -9.829 -12.496 1.00 0.00 C ATOM 179 CD GLU A 14 -13.017 -9.740 -13.718 1.00 0.00 C ATOM 180 OE1 GLU A 14 -12.566 -9.162 -14.693 1.00 0.00 O ATOM 181 OE2 GLU A 14 -14.116 -10.259 -13.608 1.00 0.00 O ATOM 0 H GLU A 14 -9.668 -8.862 -11.977 1.00 0.00 H new ATOM 0 HA GLU A 14 -10.632 -11.234 -10.689 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -10.365 -10.428 -13.648 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -11.340 -11.771 -13.085 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -12.660 -10.177 -11.629 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.707 -8.843 -12.248 1.00 0.00 H new ATOM 188 N ASP A 15 -7.763 -11.655 -11.488 1.00 0.00 N ATOM 189 CA ASP A 15 -6.669 -12.660 -11.601 1.00 0.00 C ATOM 190 C ASP A 15 -6.710 -13.596 -10.391 1.00 0.00 C ATOM 191 O ASP A 15 -6.250 -14.718 -10.460 1.00 0.00 O ATOM 192 CB ASP A 15 -5.329 -11.920 -11.604 1.00 0.00 C ATOM 193 CG ASP A 15 -5.356 -10.815 -12.664 1.00 0.00 C ATOM 194 OD1 ASP A 15 -5.925 -9.781 -12.354 1.00 0.00 O ATOM 195 OD2 ASP A 15 -4.808 -11.070 -13.724 1.00 0.00 O ATOM 0 H ASP A 15 -7.477 -10.738 -11.145 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.790 -13.239 -12.517 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.137 -11.490 -10.621 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.517 -12.617 -11.811 1.00 0.00 H new ATOM 200 N GLY A 16 -7.256 -13.106 -9.309 1.00 0.00 N ATOM 201 CA GLY A 16 -7.377 -13.961 -8.094 1.00 0.00 C ATOM 202 C GLY A 16 -6.606 -13.366 -6.914 1.00 0.00 C ATOM 203 O GLY A 16 -7.128 -13.286 -5.821 1.00 0.00 O ATOM 0 H GLY A 16 -7.621 -12.158 -9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.428 -14.069 -7.826 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -6.999 -14.960 -8.311 1.00 0.00 H new ATOM 207 N ASN A 17 -5.378 -13.000 -7.165 1.00 0.00 N ATOM 208 CA ASN A 17 -4.534 -12.415 -6.083 1.00 0.00 C ATOM 209 C ASN A 17 -3.909 -11.090 -6.527 1.00 0.00 C ATOM 210 O ASN A 17 -3.175 -10.470 -5.782 1.00 0.00 O ATOM 211 CB ASN A 17 -3.422 -13.415 -5.745 1.00 0.00 C ATOM 212 CG ASN A 17 -2.676 -13.797 -7.027 1.00 0.00 C ATOM 213 OD1 ASN A 17 -2.126 -12.962 -7.716 1.00 0.00 O ATOM 214 ND2 ASN A 17 -2.631 -15.054 -7.377 1.00 0.00 N ATOM 0 H ASN A 17 -4.922 -13.081 -8.074 1.00 0.00 H new ATOM 0 HA ASN A 17 -5.157 -12.219 -5.211 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.730 -12.977 -5.025 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -3.846 -14.304 -5.279 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.136 -15.330 -8.225 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.091 -15.760 -6.802 1.00 0.00 H new ATOM 221 N SER A 18 -4.200 -10.689 -7.737 1.00 0.00 N ATOM 222 CA SER A 18 -3.672 -9.378 -8.216 1.00 0.00 C ATOM 223 C SER A 18 -4.340 -8.247 -7.434 1.00 0.00 C ATOM 224 O SER A 18 -5.538 -8.064 -7.497 1.00 0.00 O ATOM 225 CB SER A 18 -3.995 -9.225 -9.705 1.00 0.00 C ATOM 226 OG SER A 18 -3.096 -10.127 -10.333 1.00 0.00 O ATOM 0 H SER A 18 -4.772 -11.204 -8.406 1.00 0.00 H new ATOM 0 HA SER A 18 -2.593 -9.336 -8.065 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.033 -9.479 -9.919 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.840 -8.201 -10.046 1.00 0.00 H new ATOM 0 HG SER A 18 -3.116 -9.987 -11.303 1.00 0.00 H new ATOM 232 N ILE A 19 -3.534 -7.507 -6.723 1.00 0.00 N ATOM 233 CA ILE A 19 -4.071 -6.475 -5.798 1.00 0.00 C ATOM 234 C ILE A 19 -3.618 -5.083 -6.236 1.00 0.00 C ATOM 235 O ILE A 19 -2.439 -4.857 -6.424 1.00 0.00 O ATOM 236 CB ILE A 19 -3.434 -6.767 -4.433 1.00 0.00 C ATOM 237 CG1 ILE A 19 -4.129 -7.956 -3.764 1.00 0.00 C ATOM 238 CG2 ILE A 19 -3.481 -5.529 -3.523 1.00 0.00 C ATOM 239 CD1 ILE A 19 -5.507 -7.517 -3.255 1.00 0.00 C ATOM 0 H ILE A 19 -2.517 -7.576 -6.745 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.160 -6.502 -5.778 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.387 -7.022 -4.595 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.235 -8.776 -4.474 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.524 -8.327 -2.937 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.023 -5.766 -2.563 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.936 -4.711 -3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.518 -5.232 -3.367 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -6.005 -8.361 -2.778 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.388 -6.710 -2.532 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.110 -7.167 -4.093 1.00 0.00 H new ATOM 251 N LYS A 20 -4.561 -4.188 -6.357 1.00 0.00 N ATOM 252 CA LYS A 20 -4.209 -2.762 -6.602 1.00 0.00 C ATOM 253 C LYS A 20 -4.633 -1.930 -5.388 1.00 0.00 C ATOM 254 O LYS A 20 -5.764 -1.991 -4.946 1.00 0.00 O ATOM 255 CB LYS A 20 -4.963 -2.280 -7.846 1.00 0.00 C ATOM 256 CG LYS A 20 -4.383 -2.986 -9.077 1.00 0.00 C ATOM 257 CD LYS A 20 -5.136 -2.504 -10.322 1.00 0.00 C ATOM 258 CE LYS A 20 -4.558 -3.208 -11.553 1.00 0.00 C ATOM 259 NZ LYS A 20 -3.142 -2.795 -11.759 1.00 0.00 N ATOM 0 H LYS A 20 -5.560 -4.384 -6.297 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.135 -2.655 -6.757 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.027 -2.499 -7.751 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.868 -1.199 -7.950 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.319 -2.768 -9.171 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.479 -4.067 -8.973 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.200 -2.722 -10.227 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.040 -1.423 -10.426 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.615 -4.289 -11.424 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.149 -2.961 -12.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.863 -2.988 -12.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.045 -1.778 -11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.527 -3.330 -11.113 1.00 0.00 H new ATOM 273 N VAL A 21 -3.692 -1.181 -4.882 1.00 0.00 N ATOM 274 CA VAL A 21 -3.939 -0.337 -3.680 1.00 0.00 C ATOM 275 C VAL A 21 -3.988 1.122 -4.132 1.00 0.00 C ATOM 276 O VAL A 21 -3.006 1.637 -4.629 1.00 0.00 O ATOM 277 CB VAL A 21 -2.729 -0.507 -2.754 1.00 0.00 C ATOM 278 CG1 VAL A 21 -2.931 0.292 -1.465 1.00 0.00 C ATOM 279 CG2 VAL A 21 -2.517 -1.985 -2.411 1.00 0.00 C ATOM 0 H VAL A 21 -2.746 -1.118 -5.258 1.00 0.00 H new ATOM 0 HA VAL A 21 -4.866 -0.615 -3.179 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.847 -0.134 -3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.064 0.162 -0.817 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.049 1.348 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.824 -0.065 -0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.654 -2.086 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -3.403 -2.373 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.343 -2.550 -3.327 1.00 0.00 H new ATOM 289 N ASN A 22 -5.120 1.746 -3.949 1.00 0.00 N ATOM 290 CA ASN A 22 -5.271 3.162 -4.392 1.00 0.00 C ATOM 291 C ASN A 22 -4.888 4.108 -3.252 1.00 0.00 C ATOM 292 O ASN A 22 -5.477 4.050 -2.192 1.00 0.00 O ATOM 293 CB ASN A 22 -6.747 3.392 -4.728 1.00 0.00 C ATOM 294 CG ASN A 22 -6.876 4.511 -5.761 1.00 0.00 C ATOM 295 OD1 ASN A 22 -6.342 5.592 -5.601 1.00 0.00 O ATOM 296 ND2 ASN A 22 -7.588 4.290 -6.830 1.00 0.00 N ATOM 0 H ASN A 22 -5.946 1.337 -3.512 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.630 3.351 -5.253 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.188 2.474 -5.116 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.298 3.653 -3.825 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.697 5.023 -7.531 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.036 3.384 -6.966 1.00 0.00 H new ATOM 303 N LEU A 23 -3.962 4.988 -3.517 1.00 0.00 N ATOM 304 CA LEU A 23 -3.459 5.884 -2.436 1.00 0.00 C ATOM 305 C LEU A 23 -4.165 7.234 -2.544 1.00 0.00 C ATOM 306 O LEU A 23 -3.779 8.089 -3.318 1.00 0.00 O ATOM 307 CB LEU A 23 -1.947 6.077 -2.626 1.00 0.00 C ATOM 308 CG LEU A 23 -1.283 4.717 -2.896 1.00 0.00 C ATOM 309 CD1 LEU A 23 0.221 4.929 -3.082 1.00 0.00 C ATOM 310 CD2 LEU A 23 -1.511 3.792 -1.695 1.00 0.00 C ATOM 0 H LEU A 23 -3.533 5.126 -4.432 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.656 5.448 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.759 6.756 -3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.514 6.534 -1.736 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.713 4.268 -3.791 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.703 3.970 -3.274 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.393 5.597 -3.926 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.641 5.371 -2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.041 2.827 -1.885 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.074 4.240 -0.803 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.581 3.651 -1.543 1.00 0.00 H new ATOM 322 N ILE A 24 -5.195 7.388 -1.759 1.00 0.00 N ATOM 323 CA ILE A 24 -6.025 8.621 -1.851 1.00 0.00 C ATOM 324 C ILE A 24 -5.459 9.719 -0.951 1.00 0.00 C ATOM 325 O ILE A 24 -5.628 9.673 0.251 1.00 0.00 O ATOM 326 CB ILE A 24 -7.437 8.275 -1.358 1.00 0.00 C ATOM 327 CG1 ILE A 24 -7.981 7.058 -2.123 1.00 0.00 C ATOM 328 CG2 ILE A 24 -8.352 9.487 -1.578 1.00 0.00 C ATOM 329 CD1 ILE A 24 -7.984 7.353 -3.622 1.00 0.00 C ATOM 0 H ILE A 24 -5.498 6.713 -1.057 1.00 0.00 H new ATOM 0 HA ILE A 24 -6.033 8.976 -2.881 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.403 8.029 -0.297 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.367 6.182 -1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.991 6.826 -1.786 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -9.358 9.251 -1.231 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.966 10.340 -1.020 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.383 9.732 -2.640 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.370 6.489 -4.162 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -8.617 8.218 -3.821 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.967 7.563 -3.953 1.00 0.00 H new ATOM 341 N LYS A 25 -4.851 10.698 -1.566 1.00 0.00 N ATOM 342 CA LYS A 25 -4.313 11.847 -0.786 1.00 0.00 C ATOM 343 C LYS A 25 -5.480 12.755 -0.405 1.00 0.00 C ATOM 344 O LYS A 25 -6.472 12.814 -1.105 1.00 0.00 O ATOM 345 CB LYS A 25 -3.329 12.619 -1.672 1.00 0.00 C ATOM 346 CG LYS A 25 -2.002 11.851 -1.717 1.00 0.00 C ATOM 347 CD LYS A 25 -1.137 12.406 -2.855 1.00 0.00 C ATOM 348 CE LYS A 25 -1.610 11.798 -4.181 1.00 0.00 C ATOM 349 NZ LYS A 25 -0.623 12.098 -5.256 1.00 0.00 N ATOM 0 H LYS A 25 -4.704 10.751 -2.574 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.803 11.502 0.113 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.734 12.732 -2.677 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.172 13.623 -1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.479 11.949 -0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.188 10.788 -1.871 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.213 13.493 -2.890 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.088 12.165 -2.683 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.729 10.720 -4.075 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.586 12.202 -4.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.082 12.658 -6.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.171 12.638 -4.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.268 11.208 -5.660 1.00 0.00 H new ATOM 363 N GLN A 26 -5.341 13.443 0.696 1.00 0.00 N ATOM 364 CA GLN A 26 -6.509 14.211 1.213 1.00 0.00 C ATOM 365 C GLN A 26 -6.087 15.489 1.942 1.00 0.00 C ATOM 366 O GLN A 26 -6.412 16.579 1.514 1.00 0.00 O ATOM 367 CB GLN A 26 -7.320 13.291 2.145 1.00 0.00 C ATOM 368 CG GLN A 26 -6.406 12.275 2.853 1.00 0.00 C ATOM 369 CD GLN A 26 -7.265 11.087 3.293 1.00 0.00 C ATOM 370 OE1 GLN A 26 -7.253 9.994 2.576 1.00 0.00 O flip ATOM 371 NE2 GLN A 26 -7.967 11.146 4.282 1.00 0.00 N flip ATOM 0 H GLN A 26 -4.487 13.507 1.250 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.121 14.530 0.369 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -7.845 13.892 2.888 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -8.079 12.762 1.569 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.614 11.944 2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.922 12.735 3.715 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.982 11.995 4.847 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.542 10.346 4.548 1.00 0.00 H new ATOM 380 N ASP A 27 -5.374 15.332 3.026 1.00 0.00 N ATOM 381 CA ASP A 27 -4.959 16.531 3.812 1.00 0.00 C ATOM 382 C ASP A 27 -3.440 16.545 3.999 1.00 0.00 C ATOM 383 O ASP A 27 -2.929 15.937 4.918 1.00 0.00 O ATOM 384 CB ASP A 27 -5.637 16.470 5.184 1.00 0.00 C ATOM 385 CG ASP A 27 -7.151 16.611 5.001 1.00 0.00 C ATOM 386 OD1 ASP A 27 -7.752 15.603 4.669 1.00 0.00 O ATOM 387 OD2 ASP A 27 -7.618 17.722 5.197 1.00 0.00 O ATOM 0 H ASP A 27 -5.063 14.435 3.399 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.254 17.435 3.279 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -5.404 15.526 5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.260 17.266 5.826 1.00 0.00 H new ATOM 392 N ASP A 28 -2.768 17.225 3.108 1.00 0.00 N ATOM 393 CA ASP A 28 -1.284 17.321 3.195 1.00 0.00 C ATOM 394 C ASP A 28 -0.860 18.789 3.281 1.00 0.00 C ATOM 395 O ASP A 28 0.106 19.125 3.937 1.00 0.00 O ATOM 396 CB ASP A 28 -0.693 16.706 1.921 1.00 0.00 C ATOM 397 CG ASP A 28 -1.518 15.480 1.506 1.00 0.00 C ATOM 398 OD1 ASP A 28 -1.578 14.565 2.310 1.00 0.00 O ATOM 399 OD2 ASP A 28 -2.044 15.532 0.405 1.00 0.00 O ATOM 0 H ASP A 28 -3.187 17.720 2.320 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.929 16.796 4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.690 17.443 1.118 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.344 16.417 2.093 1.00 0.00 H new ATOM 404 N GLY A 29 -1.601 19.629 2.604 1.00 0.00 N ATOM 405 CA GLY A 29 -1.269 21.082 2.585 1.00 0.00 C ATOM 406 C GLY A 29 -0.919 21.509 1.160 1.00 0.00 C ATOM 407 O GLY A 29 0.138 22.056 0.911 1.00 0.00 O ATOM 0 H GLY A 29 -2.425 19.368 2.062 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.115 21.663 2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.430 21.283 3.252 1.00 0.00 H new ATOM 411 N GLY A 30 -1.825 21.246 0.257 1.00 0.00 N ATOM 412 CA GLY A 30 -1.551 21.524 -1.182 1.00 0.00 C ATOM 413 C GLY A 30 -0.942 20.279 -1.830 1.00 0.00 C ATOM 414 O GLY A 30 -0.343 20.348 -2.885 1.00 0.00 O ATOM 0 H GLY A 30 -2.744 20.850 0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.473 21.800 -1.693 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.869 22.369 -1.278 1.00 0.00 H new ATOM 418 N SER A 31 -1.133 19.168 -1.169 1.00 0.00 N ATOM 419 CA SER A 31 -0.533 17.883 -1.635 1.00 0.00 C ATOM 420 C SER A 31 0.914 18.042 -2.124 1.00 0.00 C ATOM 421 O SER A 31 1.206 17.790 -3.276 1.00 0.00 O ATOM 422 CB SER A 31 -1.403 17.335 -2.772 1.00 0.00 C ATOM 423 OG SER A 31 -2.651 17.083 -2.146 1.00 0.00 O ATOM 0 H SER A 31 -1.686 19.095 -0.315 1.00 0.00 H new ATOM 0 HA SER A 31 -0.502 17.197 -0.789 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.500 18.055 -3.585 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.978 16.427 -3.200 1.00 0.00 H new ATOM 0 HG SER A 31 -2.506 16.582 -1.317 1.00 0.00 H new ATOM 429 N PRO A 32 1.787 18.456 -1.240 1.00 0.00 N ATOM 430 CA PRO A 32 3.240 18.488 -1.535 1.00 0.00 C ATOM 431 C PRO A 32 3.833 17.116 -1.205 1.00 0.00 C ATOM 432 O PRO A 32 4.864 17.014 -0.568 1.00 0.00 O ATOM 433 CB PRO A 32 3.793 19.551 -0.569 1.00 0.00 C ATOM 434 CG PRO A 32 2.689 19.841 0.482 1.00 0.00 C ATOM 435 CD PRO A 32 1.435 19.047 0.076 1.00 0.00 C ATOM 0 HA PRO A 32 3.473 18.715 -2.575 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.701 19.193 -0.083 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.057 20.460 -1.109 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.022 19.547 1.477 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.470 20.908 0.522 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.198 18.275 0.808 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.561 19.694 0.001 1.00 0.00 H new ATOM 443 N ILE A 33 3.156 16.095 -1.660 1.00 0.00 N ATOM 444 CA ILE A 33 3.547 14.710 -1.271 1.00 0.00 C ATOM 445 C ILE A 33 4.690 14.186 -2.141 1.00 0.00 C ATOM 446 O ILE A 33 4.864 14.576 -3.279 1.00 0.00 O ATOM 447 CB ILE A 33 2.323 13.791 -1.432 1.00 0.00 C ATOM 448 CG1 ILE A 33 1.222 14.219 -0.443 1.00 0.00 C ATOM 449 CG2 ILE A 33 2.727 12.330 -1.160 1.00 0.00 C ATOM 450 CD1 ILE A 33 1.639 13.880 0.995 1.00 0.00 C ATOM 0 H ILE A 33 2.351 16.161 -2.283 1.00 0.00 H new ATOM 0 HA ILE A 33 3.890 14.722 -0.237 1.00 0.00 H new ATOM 0 HB ILE A 33 1.944 13.872 -2.451 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.038 15.290 -0.533 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.288 13.714 -0.687 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.856 11.684 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.499 12.028 -1.868 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.112 12.242 -0.144 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.852 14.188 1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.799 12.806 1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.562 14.406 1.240 1.00 0.00 H new ATOM 462 N ARG A 34 5.434 13.299 -1.544 1.00 0.00 N ATOM 463 CA ARG A 34 6.579 12.645 -2.231 1.00 0.00 C ATOM 464 C ARG A 34 6.454 11.131 -2.051 1.00 0.00 C ATOM 465 O ARG A 34 6.499 10.631 -0.942 1.00 0.00 O ATOM 466 CB ARG A 34 7.878 13.129 -1.576 1.00 0.00 C ATOM 467 CG ARG A 34 8.003 14.642 -1.771 1.00 0.00 C ATOM 468 CD ARG A 34 9.222 15.140 -0.994 1.00 0.00 C ATOM 469 NE ARG A 34 9.345 16.610 -1.213 1.00 0.00 N ATOM 470 CZ ARG A 34 10.462 17.100 -1.676 1.00 0.00 C ATOM 471 NH1 ARG A 34 10.762 16.912 -2.932 1.00 0.00 N ATOM 472 NH2 ARG A 34 11.242 17.764 -0.868 1.00 0.00 N ATOM 0 H ARG A 34 5.291 12.993 -0.582 1.00 0.00 H new ATOM 0 HA ARG A 34 6.584 12.892 -3.293 1.00 0.00 H new ATOM 0 HB2 ARG A 34 7.877 12.886 -0.514 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.735 12.621 -2.019 1.00 0.00 H new ATOM 0 HG2 ARG A 34 8.108 14.879 -2.830 1.00 0.00 H new ATOM 0 HG3 ARG A 34 7.101 15.144 -1.420 1.00 0.00 H new ATOM 0 HD2 ARG A 34 9.111 14.922 0.068 1.00 0.00 H new ATOM 0 HD3 ARG A 34 10.123 14.629 -1.332 1.00 0.00 H new ATOM 0 HE ARG A 34 8.561 17.228 -1.002 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.127 16.389 -3.535 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.631 17.288 -3.311 1.00 0.00 H new ATOM 0 HH21 ARG A 34 10.975 17.893 0.108 1.00 0.00 H new ATOM 0 HH22 ARG A 34 12.119 18.154 -1.212 1.00 0.00 H new ATOM 486 N HIS A 35 6.238 10.477 -3.162 1.00 0.00 N ATOM 487 CA HIS A 35 6.174 8.985 -3.221 1.00 0.00 C ATOM 488 C HIS A 35 5.545 8.306 -1.999 1.00 0.00 C ATOM 489 O HIS A 35 4.950 8.929 -1.143 1.00 0.00 O ATOM 490 CB HIS A 35 7.603 8.454 -3.397 1.00 0.00 C ATOM 491 CG HIS A 35 8.464 8.887 -2.210 1.00 0.00 C ATOM 492 ND1 HIS A 35 9.394 9.788 -2.251 1.00 0.00 N ATOM 493 CD2 HIS A 35 8.475 8.447 -0.897 1.00 0.00 C ATOM 494 CE1 HIS A 35 9.940 9.901 -1.081 1.00 0.00 C ATOM 495 NE2 HIS A 35 9.398 9.086 -0.212 1.00 0.00 N ATOM 0 H HIS A 35 6.098 10.933 -4.064 1.00 0.00 H new ATOM 0 HA HIS A 35 5.520 8.742 -4.059 1.00 0.00 H new ATOM 0 HB2 HIS A 35 7.590 7.367 -3.472 1.00 0.00 H new ATOM 0 HB3 HIS A 35 8.030 8.833 -4.326 1.00 0.00 H new ATOM 0 HD1 HIS A 35 9.656 10.326 -3.077 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.820 7.689 -0.494 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.744 10.584 -0.851 1.00 0.00 H new ATOM 503 N TYR A 36 5.697 7.010 -1.973 1.00 0.00 N ATOM 504 CA TYR A 36 5.171 6.215 -0.830 1.00 0.00 C ATOM 505 C TYR A 36 6.143 5.087 -0.496 1.00 0.00 C ATOM 506 O TYR A 36 6.824 4.575 -1.360 1.00 0.00 O ATOM 507 CB TYR A 36 3.843 5.581 -1.243 1.00 0.00 C ATOM 508 CG TYR A 36 2.846 6.688 -1.588 1.00 0.00 C ATOM 509 CD1 TYR A 36 2.263 7.441 -0.589 1.00 0.00 C ATOM 510 CD2 TYR A 36 2.515 6.940 -2.902 1.00 0.00 C ATOM 511 CE1 TYR A 36 1.357 8.433 -0.902 1.00 0.00 C ATOM 512 CE2 TYR A 36 1.608 7.930 -3.216 1.00 0.00 C ATOM 513 CZ TYR A 36 1.023 8.684 -2.218 1.00 0.00 C ATOM 514 OH TYR A 36 0.113 9.671 -2.533 1.00 0.00 O ATOM 0 H TYR A 36 6.165 6.466 -2.698 1.00 0.00 H new ATOM 0 HA TYR A 36 5.043 6.868 0.033 1.00 0.00 H new ATOM 0 HB2 TYR A 36 3.990 4.926 -2.102 1.00 0.00 H new ATOM 0 HB3 TYR A 36 3.454 4.963 -0.434 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.518 7.253 0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 36 2.969 6.358 -3.691 1.00 0.00 H new ATOM 0 HE1 TYR A 36 0.906 9.017 -0.113 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.354 8.117 -4.249 1.00 0.00 H new ATOM 0 HH TYR A 36 0.169 9.874 -3.490 1.00 0.00 H new ATOM 524 N LEU A 37 6.121 4.714 0.752 1.00 0.00 N ATOM 525 CA LEU A 37 6.936 3.562 1.227 1.00 0.00 C ATOM 526 C LEU A 37 5.942 2.429 1.472 1.00 0.00 C ATOM 527 O LEU A 37 5.134 2.521 2.375 1.00 0.00 O ATOM 528 CB LEU A 37 7.612 3.939 2.560 1.00 0.00 C ATOM 529 CG LEU A 37 7.980 5.432 2.567 1.00 0.00 C ATOM 530 CD1 LEU A 37 8.463 5.824 3.972 1.00 0.00 C ATOM 531 CD2 LEU A 37 9.116 5.680 1.569 1.00 0.00 C ATOM 0 H LEU A 37 5.563 5.167 1.476 1.00 0.00 H new ATOM 0 HA LEU A 37 7.707 3.281 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.942 3.719 3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.508 3.336 2.705 1.00 0.00 H new ATOM 0 HG LEU A 37 7.108 6.024 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 37 8.726 6.882 3.984 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.668 5.639 4.695 1.00 0.00 H new ATOM 0 HD13 LEU A 37 9.338 5.230 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.379 6.738 1.572 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.986 5.089 1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.792 5.390 0.570 1.00 0.00 H new ATOM 543 N VAL A 38 5.977 1.420 0.642 1.00 0.00 N ATOM 544 CA VAL A 38 4.924 0.372 0.729 1.00 0.00 C ATOM 545 C VAL A 38 5.538 -0.964 1.132 1.00 0.00 C ATOM 546 O VAL A 38 6.438 -1.453 0.480 1.00 0.00 O ATOM 547 CB VAL A 38 4.270 0.225 -0.650 1.00 0.00 C ATOM 548 CG1 VAL A 38 3.151 -0.821 -0.556 1.00 0.00 C ATOM 549 CG2 VAL A 38 3.662 1.572 -1.058 1.00 0.00 C ATOM 0 H VAL A 38 6.680 1.279 -0.083 1.00 0.00 H new ATOM 0 HA VAL A 38 4.186 0.661 1.477 1.00 0.00 H new ATOM 0 HB VAL A 38 5.011 -0.085 -1.386 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.677 -0.935 -1.531 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.572 -1.777 -0.243 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.408 -0.495 0.172 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.194 1.478 -2.038 1.00 0.00 H new ATOM 0 HG22 VAL A 38 2.912 1.870 -0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.447 2.327 -1.102 1.00 0.00 H new ATOM 559 N LYS A 39 5.027 -1.498 2.208 1.00 0.00 N ATOM 560 CA LYS A 39 5.490 -2.834 2.684 1.00 0.00 C ATOM 561 C LYS A 39 4.255 -3.668 3.028 1.00 0.00 C ATOM 562 O LYS A 39 3.292 -3.149 3.558 1.00 0.00 O ATOM 563 CB LYS A 39 6.335 -2.618 3.945 1.00 0.00 C ATOM 564 CG LYS A 39 6.775 -3.975 4.505 1.00 0.00 C ATOM 565 CD LYS A 39 7.440 -3.753 5.869 1.00 0.00 C ATOM 566 CE LYS A 39 8.850 -3.199 5.652 1.00 0.00 C ATOM 567 NZ LYS A 39 9.531 -3.021 6.967 1.00 0.00 N ATOM 0 H LYS A 39 4.304 -1.064 2.782 1.00 0.00 H new ATOM 0 HA LYS A 39 6.081 -3.346 1.925 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.208 -2.009 3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.758 -2.074 4.693 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.916 -4.638 4.607 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.471 -4.459 3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.850 -3.058 6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.485 -4.691 6.423 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.425 -3.879 5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 39 8.799 -2.245 5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 10.488 -2.645 6.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.987 -2.356 7.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 9.593 -3.939 7.453 1.00 0.00 H new ATOM 581 N TYR A 40 4.277 -4.930 2.703 1.00 0.00 N ATOM 582 CA TYR A 40 3.081 -5.758 3.032 1.00 0.00 C ATOM 583 C TYR A 40 3.449 -7.192 3.411 1.00 0.00 C ATOM 584 O TYR A 40 4.478 -7.713 3.032 1.00 0.00 O ATOM 585 CB TYR A 40 2.102 -5.724 1.848 1.00 0.00 C ATOM 586 CG TYR A 40 2.560 -6.619 0.692 1.00 0.00 C ATOM 587 CD1 TYR A 40 3.820 -6.493 0.141 1.00 0.00 C ATOM 588 CD2 TYR A 40 1.673 -7.516 0.131 1.00 0.00 C ATOM 589 CE1 TYR A 40 4.181 -7.247 -0.957 1.00 0.00 C ATOM 590 CE2 TYR A 40 2.030 -8.268 -0.967 1.00 0.00 C ATOM 591 CZ TYR A 40 3.288 -8.137 -1.521 1.00 0.00 C ATOM 592 OH TYR A 40 3.647 -8.874 -2.630 1.00 0.00 O ATOM 0 H TYR A 40 5.045 -5.414 2.238 1.00 0.00 H new ATOM 0 HA TYR A 40 2.601 -5.330 3.912 1.00 0.00 H new ATOM 0 HB2 TYR A 40 1.116 -6.045 2.185 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.000 -4.699 1.493 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.527 -5.800 0.572 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.687 -7.630 0.558 1.00 0.00 H new ATOM 0 HE1 TYR A 40 5.170 -7.140 -1.379 1.00 0.00 H new ATOM 0 HE2 TYR A 40 1.323 -8.963 -1.396 1.00 0.00 H new ATOM 0 HH TYR A 40 4.613 -9.036 -2.617 1.00 0.00 H new ATOM 602 N ARG A 41 2.577 -7.774 4.189 1.00 0.00 N ATOM 603 CA ARG A 41 2.803 -9.161 4.683 1.00 0.00 C ATOM 604 C ARG A 41 1.547 -10.002 4.465 1.00 0.00 C ATOM 605 O ARG A 41 0.470 -9.473 4.274 1.00 0.00 O ATOM 606 CB ARG A 41 3.093 -9.110 6.188 1.00 0.00 C ATOM 607 CG ARG A 41 1.899 -8.506 6.934 1.00 0.00 C ATOM 608 CD ARG A 41 2.083 -8.762 8.433 1.00 0.00 C ATOM 609 NE ARG A 41 1.745 -10.187 8.714 1.00 0.00 N ATOM 610 CZ ARG A 41 1.385 -10.535 9.919 1.00 0.00 C ATOM 611 NH1 ARG A 41 0.124 -10.479 10.246 1.00 0.00 N ATOM 612 NH2 ARG A 41 2.303 -10.935 10.758 1.00 0.00 N ATOM 0 H ARG A 41 1.709 -7.342 4.506 1.00 0.00 H new ATOM 0 HA ARG A 41 3.640 -9.602 4.142 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.295 -10.114 6.562 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.987 -8.515 6.374 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.832 -7.436 6.738 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.968 -8.953 6.585 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.110 -8.551 8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.441 -8.099 9.012 1.00 0.00 H new ATOM 0 HE ARG A 41 1.795 -10.884 7.971 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.566 -10.166 9.563 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.172 -10.748 11.184 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.280 -10.971 10.466 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.043 -11.211 11.705 1.00 0.00 H new ATOM 626 N ALA A 42 1.707 -11.293 4.569 1.00 0.00 N ATOM 627 CA ALA A 42 0.537 -12.198 4.406 1.00 0.00 C ATOM 628 C ALA A 42 0.366 -13.029 5.675 1.00 0.00 C ATOM 629 O ALA A 42 1.139 -12.913 6.604 1.00 0.00 O ATOM 630 CB ALA A 42 0.826 -13.132 3.231 1.00 0.00 C ATOM 0 H ALA A 42 2.595 -11.758 4.759 1.00 0.00 H new ATOM 0 HA ALA A 42 -0.371 -11.622 4.225 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -0.017 -13.808 3.088 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.976 -12.543 2.326 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.725 -13.712 3.440 1.00 0.00 H new ATOM 636 N LEU A 43 -0.695 -13.787 5.701 1.00 0.00 N ATOM 637 CA LEU A 43 -0.879 -14.767 6.810 1.00 0.00 C ATOM 638 C LEU A 43 -0.032 -16.017 6.552 1.00 0.00 C ATOM 639 O LEU A 43 -0.468 -17.132 6.758 1.00 0.00 O ATOM 640 CB LEU A 43 -2.363 -15.149 6.861 1.00 0.00 C ATOM 641 CG LEU A 43 -2.709 -15.610 8.280 1.00 0.00 C ATOM 642 CD1 LEU A 43 -2.853 -14.376 9.178 1.00 0.00 C ATOM 643 CD2 LEU A 43 -4.044 -16.361 8.244 1.00 0.00 C ATOM 0 H LEU A 43 -1.441 -13.771 5.005 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.565 -14.327 7.757 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.981 -14.296 6.581 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.572 -15.944 6.145 1.00 0.00 H new ATOM 0 HG LEU A 43 -1.926 -16.262 8.666 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.100 -14.691 10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.914 -13.822 9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.648 -13.737 8.793 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.301 -16.694 9.249 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.825 -15.698 7.871 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.957 -17.226 7.586 1.00 0.00 H new ATOM 655 N ALA A 44 1.173 -15.786 6.107 1.00 0.00 N ATOM 656 CA ALA A 44 2.110 -16.913 5.848 1.00 0.00 C ATOM 657 C ALA A 44 3.548 -16.440 6.084 1.00 0.00 C ATOM 658 O ALA A 44 4.260 -16.981 6.908 1.00 0.00 O ATOM 659 CB ALA A 44 1.950 -17.354 4.390 1.00 0.00 C ATOM 0 H ALA A 44 1.550 -14.859 5.911 1.00 0.00 H new ATOM 0 HA ALA A 44 1.891 -17.746 6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 44 2.630 -18.180 4.183 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.923 -17.678 4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.182 -16.519 3.730 1.00 0.00 H new ATOM 665 N SER A 45 3.932 -15.435 5.343 1.00 0.00 N ATOM 666 CA SER A 45 5.278 -14.824 5.537 1.00 0.00 C ATOM 667 C SER A 45 5.114 -13.324 5.789 1.00 0.00 C ATOM 668 O SER A 45 4.160 -12.722 5.336 1.00 0.00 O ATOM 669 CB SER A 45 6.097 -15.036 4.260 1.00 0.00 C ATOM 670 OG SER A 45 6.165 -16.449 4.136 1.00 0.00 O ATOM 0 H SER A 45 3.368 -15.009 4.608 1.00 0.00 H new ATOM 0 HA SER A 45 5.783 -15.284 6.386 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.615 -14.581 3.395 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.089 -14.593 4.342 1.00 0.00 H new ATOM 0 HG SER A 45 6.677 -16.683 3.334 1.00 0.00 H new ATOM 676 N GLU A 46 6.050 -12.742 6.491 1.00 0.00 N ATOM 677 CA GLU A 46 5.898 -11.297 6.826 1.00 0.00 C ATOM 678 C GLU A 46 6.762 -10.412 5.928 1.00 0.00 C ATOM 679 O GLU A 46 7.694 -10.873 5.298 1.00 0.00 O ATOM 680 CB GLU A 46 6.286 -11.075 8.293 1.00 0.00 C ATOM 681 CG GLU A 46 7.796 -11.277 8.462 1.00 0.00 C ATOM 682 CD GLU A 46 8.159 -11.090 9.939 1.00 0.00 C ATOM 683 OE1 GLU A 46 8.063 -9.957 10.379 1.00 0.00 O ATOM 684 OE2 GLU A 46 8.507 -12.093 10.540 1.00 0.00 O ATOM 0 H GLU A 46 6.896 -13.193 6.840 1.00 0.00 H new ATOM 0 HA GLU A 46 4.857 -11.019 6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.006 -10.069 8.605 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.742 -11.770 8.933 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.083 -12.274 8.126 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.343 -10.563 7.846 1.00 0.00 H new ATOM 691 N TRP A 47 6.416 -9.154 5.924 1.00 0.00 N ATOM 692 CA TRP A 47 7.147 -8.126 5.125 1.00 0.00 C ATOM 693 C TRP A 47 7.878 -8.702 3.907 1.00 0.00 C ATOM 694 O TRP A 47 9.036 -9.063 3.969 1.00 0.00 O ATOM 695 CB TRP A 47 8.141 -7.416 6.050 1.00 0.00 C ATOM 696 CG TRP A 47 7.498 -7.176 7.425 1.00 0.00 C ATOM 697 CD1 TRP A 47 8.120 -7.417 8.616 1.00 0.00 C ATOM 698 CD2 TRP A 47 6.242 -6.712 7.670 1.00 0.00 C ATOM 699 NE1 TRP A 47 7.203 -7.087 9.501 1.00 0.00 N ATOM 700 CE2 TRP A 47 6.045 -6.653 9.036 1.00 0.00 C ATOM 701 CE3 TRP A 47 5.216 -6.327 6.824 1.00 0.00 C ATOM 702 CZ2 TRP A 47 4.841 -6.218 9.555 1.00 0.00 C ATOM 703 CZ3 TRP A 47 4.007 -5.896 7.340 1.00 0.00 C ATOM 704 CH2 TRP A 47 3.821 -5.837 8.705 1.00 0.00 C ATOM 0 H TRP A 47 5.631 -8.783 6.459 1.00 0.00 H new ATOM 0 HA TRP A 47 6.410 -7.429 4.726 1.00 0.00 H new ATOM 0 HB2 TRP A 47 9.042 -8.019 6.161 1.00 0.00 H new ATOM 0 HB3 TRP A 47 8.445 -6.466 5.610 1.00 0.00 H new ATOM 0 HD1 TRP A 47 9.119 -7.788 8.790 1.00 0.00 H new ATOM 0 HE1 TRP A 47 7.379 -7.163 10.503 1.00 0.00 H new ATOM 0 HE3 TRP A 47 5.360 -6.363 5.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 4.697 -6.176 10.625 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 3.208 -5.606 6.673 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.880 -5.494 9.109 1.00 0.00 H new ATOM 715 N LYS A 48 7.159 -8.752 2.819 1.00 0.00 N ATOM 716 CA LYS A 48 7.765 -9.187 1.530 1.00 0.00 C ATOM 717 C LYS A 48 8.635 -8.037 1.008 1.00 0.00 C ATOM 718 O LYS A 48 8.503 -6.921 1.470 1.00 0.00 O ATOM 719 CB LYS A 48 6.614 -9.449 0.546 1.00 0.00 C ATOM 720 CG LYS A 48 5.931 -10.772 0.917 1.00 0.00 C ATOM 721 CD LYS A 48 4.935 -11.137 -0.191 1.00 0.00 C ATOM 722 CE LYS A 48 4.343 -12.522 0.101 1.00 0.00 C ATOM 723 NZ LYS A 48 3.238 -12.411 1.093 1.00 0.00 N ATOM 0 H LYS A 48 6.170 -8.508 2.768 1.00 0.00 H new ATOM 0 HA LYS A 48 8.371 -10.085 1.649 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.895 -8.631 0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 48 6.994 -9.495 -0.475 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.674 -11.561 1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.415 -10.676 1.873 1.00 0.00 H new ATOM 0 HD2 LYS A 48 4.141 -10.392 -0.243 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.434 -11.138 -1.160 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.970 -12.968 -0.821 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.120 -13.184 0.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.359 -13.135 1.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.257 -11.467 1.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.326 -12.553 0.614 1.00 0.00 H new ATOM 737 N PRO A 49 9.508 -8.329 0.077 1.00 0.00 N ATOM 738 CA PRO A 49 10.386 -7.297 -0.526 1.00 0.00 C ATOM 739 C PRO A 49 9.600 -6.014 -0.821 1.00 0.00 C ATOM 740 O PRO A 49 8.899 -5.915 -1.810 1.00 0.00 O ATOM 741 CB PRO A 49 10.909 -7.950 -1.814 1.00 0.00 C ATOM 742 CG PRO A 49 10.623 -9.470 -1.701 1.00 0.00 C ATOM 743 CD PRO A 49 9.682 -9.685 -0.501 1.00 0.00 C ATOM 0 HA PRO A 49 11.197 -6.995 0.137 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.414 -7.528 -2.689 1.00 0.00 H new ATOM 0 HB3 PRO A 49 11.977 -7.766 -1.933 1.00 0.00 H new ATOM 0 HG2 PRO A 49 10.164 -9.841 -2.617 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.551 -10.024 -1.562 1.00 0.00 H new ATOM 0 HD2 PRO A 49 8.728 -10.109 -0.815 1.00 0.00 H new ATOM 0 HD3 PRO A 49 10.114 -10.374 0.225 1.00 0.00 H new ATOM 751 N GLU A 50 9.735 -5.066 0.067 1.00 0.00 N ATOM 752 CA GLU A 50 8.927 -3.817 -0.039 1.00 0.00 C ATOM 753 C GLU A 50 9.352 -2.979 -1.248 1.00 0.00 C ATOM 754 O GLU A 50 10.294 -3.310 -1.942 1.00 0.00 O ATOM 755 CB GLU A 50 9.132 -3.006 1.248 1.00 0.00 C ATOM 756 CG GLU A 50 10.542 -2.405 1.253 1.00 0.00 C ATOM 757 CD GLU A 50 10.765 -1.675 2.580 1.00 0.00 C ATOM 758 OE1 GLU A 50 11.026 -2.373 3.545 1.00 0.00 O ATOM 759 OE2 GLU A 50 10.653 -0.459 2.553 1.00 0.00 O ATOM 0 H GLU A 50 10.372 -5.103 0.863 1.00 0.00 H new ATOM 0 HA GLU A 50 7.877 -4.079 -0.171 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.387 -2.213 1.314 1.00 0.00 H new ATOM 0 HB3 GLU A 50 8.995 -3.646 2.120 1.00 0.00 H new ATOM 0 HG2 GLU A 50 11.287 -3.190 1.125 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.660 -1.714 0.418 1.00 0.00 H new ATOM 766 N ILE A 51 8.640 -1.906 -1.464 1.00 0.00 N ATOM 767 CA ILE A 51 8.953 -1.034 -2.632 1.00 0.00 C ATOM 768 C ILE A 51 8.764 0.446 -2.285 1.00 0.00 C ATOM 769 O ILE A 51 8.013 0.792 -1.395 1.00 0.00 O ATOM 770 CB ILE A 51 8.007 -1.418 -3.783 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.323 -0.550 -5.012 1.00 0.00 C ATOM 772 CG2 ILE A 51 6.555 -1.166 -3.353 1.00 0.00 C ATOM 773 CD1 ILE A 51 7.672 -1.176 -6.249 1.00 0.00 C ATOM 0 H ILE A 51 7.859 -1.597 -0.885 1.00 0.00 H new ATOM 0 HA ILE A 51 9.994 -1.179 -2.920 1.00 0.00 H new ATOM 0 HB ILE A 51 8.142 -2.471 -4.029 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.950 0.463 -4.863 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.401 -0.475 -5.152 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.882 -1.437 -4.167 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.325 -1.770 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 51 6.425 -0.111 -3.111 1.00 0.00 H new ATOM 0 HD11 ILE A 51 7.892 -0.565 -7.125 1.00 0.00 H new ATOM 0 HD12 ILE A 51 8.067 -2.181 -6.399 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.593 -1.228 -6.105 1.00 0.00 H new ATOM 785 N ARG A 52 9.463 1.282 -3.004 1.00 0.00 N ATOM 786 CA ARG A 52 9.239 2.748 -2.855 1.00 0.00 C ATOM 787 C ARG A 52 8.719 3.306 -4.182 1.00 0.00 C ATOM 788 O ARG A 52 9.284 3.063 -5.230 1.00 0.00 O ATOM 789 CB ARG A 52 10.568 3.430 -2.503 1.00 0.00 C ATOM 790 CG ARG A 52 10.257 4.698 -1.703 1.00 0.00 C ATOM 791 CD ARG A 52 11.511 5.574 -1.636 1.00 0.00 C ATOM 792 NE ARG A 52 11.731 6.175 -2.983 1.00 0.00 N ATOM 793 CZ ARG A 52 11.672 7.472 -3.124 1.00 0.00 C ATOM 794 NH1 ARG A 52 12.564 8.215 -2.531 1.00 0.00 N ATOM 795 NH2 ARG A 52 10.720 7.983 -3.857 1.00 0.00 N ATOM 0 H ARG A 52 10.175 1.015 -3.684 1.00 0.00 H new ATOM 0 HA ARG A 52 8.513 2.935 -2.064 1.00 0.00 H new ATOM 0 HB2 ARG A 52 11.198 2.758 -1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.120 3.678 -3.410 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.441 5.247 -2.172 1.00 0.00 H new ATOM 0 HG3 ARG A 52 9.928 4.436 -0.697 1.00 0.00 H new ATOM 0 HD2 ARG A 52 11.389 6.356 -0.886 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.375 4.979 -1.339 1.00 0.00 H new ATOM 0 HE ARG A 52 11.926 5.578 -3.787 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.295 7.782 -1.966 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.531 9.229 -2.632 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.039 7.371 -4.307 1.00 0.00 H new ATOM 0 HH22 ARG A 52 10.657 8.994 -3.979 1.00 0.00 H new ATOM 809 N LEU A 53 7.646 4.042 -4.093 1.00 0.00 N ATOM 810 CA LEU A 53 7.013 4.591 -5.324 1.00 0.00 C ATOM 811 C LEU A 53 7.839 5.766 -5.862 1.00 0.00 C ATOM 812 O LEU A 53 8.679 6.306 -5.170 1.00 0.00 O ATOM 813 CB LEU A 53 5.624 5.112 -4.931 1.00 0.00 C ATOM 814 CG LEU A 53 4.636 3.960 -4.677 1.00 0.00 C ATOM 815 CD1 LEU A 53 4.006 3.529 -6.004 1.00 0.00 C ATOM 816 CD2 LEU A 53 5.322 2.751 -4.024 1.00 0.00 C ATOM 0 H LEU A 53 7.180 4.287 -3.220 1.00 0.00 H new ATOM 0 HA LEU A 53 6.952 3.819 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.706 5.726 -4.034 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.239 5.754 -5.723 1.00 0.00 H new ATOM 0 HG LEU A 53 3.870 4.322 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.306 2.713 -5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.476 4.373 -6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.788 3.194 -6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.589 1.961 -3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 53 6.113 2.384 -4.678 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.752 3.049 -3.068 1.00 0.00 H new ATOM 828 N PRO A 54 7.595 6.120 -7.096 1.00 0.00 N ATOM 829 CA PRO A 54 8.197 7.337 -7.693 1.00 0.00 C ATOM 830 C PRO A 54 7.564 8.583 -7.071 1.00 0.00 C ATOM 831 O PRO A 54 6.384 8.588 -6.783 1.00 0.00 O ATOM 832 CB PRO A 54 7.830 7.256 -9.184 1.00 0.00 C ATOM 833 CG PRO A 54 6.816 6.095 -9.354 1.00 0.00 C ATOM 834 CD PRO A 54 6.771 5.313 -8.032 1.00 0.00 C ATOM 0 HA PRO A 54 9.273 7.397 -7.530 1.00 0.00 H new ATOM 0 HB2 PRO A 54 7.396 8.196 -9.523 1.00 0.00 H new ATOM 0 HB3 PRO A 54 8.720 7.079 -9.788 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.828 6.484 -9.602 1.00 0.00 H new ATOM 0 HG3 PRO A 54 7.116 5.442 -10.174 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.749 5.205 -7.669 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.175 4.308 -8.151 1.00 0.00 H new ATOM 842 N SER A 55 8.361 9.603 -6.898 1.00 0.00 N ATOM 843 CA SER A 55 7.859 10.854 -6.256 1.00 0.00 C ATOM 844 C SER A 55 6.581 11.368 -6.930 1.00 0.00 C ATOM 845 O SER A 55 6.605 11.817 -8.060 1.00 0.00 O ATOM 846 CB SER A 55 8.954 11.921 -6.359 1.00 0.00 C ATOM 847 OG SER A 55 9.281 11.947 -7.741 1.00 0.00 O ATOM 0 H SER A 55 9.343 9.624 -7.175 1.00 0.00 H new ATOM 0 HA SER A 55 7.617 10.639 -5.215 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.598 12.892 -6.015 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.820 11.664 -5.749 1.00 0.00 H new ATOM 0 HG SER A 55 8.460 11.892 -8.273 1.00 0.00 H new ATOM 853 N GLY A 56 5.490 11.270 -6.218 1.00 0.00 N ATOM 854 CA GLY A 56 4.199 11.781 -6.763 1.00 0.00 C ATOM 855 C GLY A 56 3.422 10.657 -7.446 1.00 0.00 C ATOM 856 O GLY A 56 3.110 10.738 -8.617 1.00 0.00 O ATOM 0 H GLY A 56 5.437 10.860 -5.286 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.601 12.207 -5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 56 4.391 12.583 -7.476 1.00 0.00 H new ATOM 860 N SER A 57 3.123 9.633 -6.692 1.00 0.00 N ATOM 861 CA SER A 57 2.386 8.475 -7.271 1.00 0.00 C ATOM 862 C SER A 57 0.887 8.576 -6.984 1.00 0.00 C ATOM 863 O SER A 57 0.421 9.547 -6.421 1.00 0.00 O ATOM 864 CB SER A 57 2.936 7.199 -6.634 1.00 0.00 C ATOM 865 OG SER A 57 4.113 6.943 -7.384 1.00 0.00 O ATOM 0 H SER A 57 3.357 9.549 -5.703 1.00 0.00 H new ATOM 0 HA SER A 57 2.523 8.466 -8.352 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.156 7.340 -5.576 1.00 0.00 H new ATOM 0 HB3 SER A 57 2.226 6.375 -6.705 1.00 0.00 H new ATOM 0 HG SER A 57 4.826 7.548 -7.090 1.00 0.00 H new ATOM 871 N ASP A 58 0.171 7.571 -7.409 1.00 0.00 N ATOM 872 CA ASP A 58 -1.301 7.542 -7.172 1.00 0.00 C ATOM 873 C ASP A 58 -1.721 6.159 -6.670 1.00 0.00 C ATOM 874 O ASP A 58 -2.640 6.028 -5.887 1.00 0.00 O ATOM 875 CB ASP A 58 -2.007 7.839 -8.497 1.00 0.00 C ATOM 876 CG ASP A 58 -1.539 9.204 -9.011 1.00 0.00 C ATOM 877 OD1 ASP A 58 -1.912 10.178 -8.376 1.00 0.00 O ATOM 878 OD2 ASP A 58 -0.826 9.195 -10.002 1.00 0.00 O ATOM 0 H ASP A 58 0.543 6.766 -7.912 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.572 8.285 -6.422 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.780 7.063 -9.228 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.088 7.839 -8.357 1.00 0.00 H new ATOM 883 N HIS A 59 -1.042 5.147 -7.136 1.00 0.00 N ATOM 884 CA HIS A 59 -1.381 3.775 -6.666 1.00 0.00 C ATOM 885 C HIS A 59 -0.134 2.896 -6.529 1.00 0.00 C ATOM 886 O HIS A 59 0.918 3.202 -7.055 1.00 0.00 O ATOM 887 CB HIS A 59 -2.345 3.140 -7.675 1.00 0.00 C ATOM 888 CG HIS A 59 -1.555 2.634 -8.885 1.00 0.00 C ATOM 889 ND1 HIS A 59 -1.227 3.344 -9.917 1.00 0.00 N ATOM 890 CD2 HIS A 59 -1.010 1.388 -9.138 1.00 0.00 C ATOM 891 CE1 HIS A 59 -0.542 2.615 -10.743 1.00 0.00 C ATOM 892 NE2 HIS A 59 -0.387 1.394 -10.297 1.00 0.00 N ATOM 0 H HIS A 59 -0.279 5.208 -7.811 1.00 0.00 H new ATOM 0 HA HIS A 59 -1.841 3.849 -5.681 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -2.885 2.316 -7.209 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -3.089 3.870 -7.992 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -1.085 0.535 -8.480 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.148 2.972 -11.683 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.105 0.622 -10.746 1.00 0.00 H new ATOM 900 N VAL A 60 -0.307 1.822 -5.809 1.00 0.00 N ATOM 901 CA VAL A 60 0.766 0.790 -5.708 1.00 0.00 C ATOM 902 C VAL A 60 0.138 -0.583 -5.967 1.00 0.00 C ATOM 903 O VAL A 60 -1.036 -0.774 -5.727 1.00 0.00 O ATOM 904 CB VAL A 60 1.400 0.853 -4.304 1.00 0.00 C ATOM 905 CG1 VAL A 60 0.357 0.538 -3.217 1.00 0.00 C ATOM 906 CG2 VAL A 60 2.527 -0.185 -4.228 1.00 0.00 C ATOM 0 H VAL A 60 -1.154 1.612 -5.281 1.00 0.00 H new ATOM 0 HA VAL A 60 1.550 0.969 -6.444 1.00 0.00 H new ATOM 0 HB VAL A 60 1.786 1.858 -4.135 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.828 0.589 -2.235 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.453 1.265 -3.269 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.043 -0.463 -3.376 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.986 -0.152 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.118 -1.180 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.279 0.039 -4.985 1.00 0.00 H new ATOM 916 N MET A 61 0.911 -1.509 -6.470 1.00 0.00 N ATOM 917 CA MET A 61 0.308 -2.833 -6.802 1.00 0.00 C ATOM 918 C MET A 61 1.191 -4.014 -6.393 1.00 0.00 C ATOM 919 O MET A 61 2.390 -3.890 -6.234 1.00 0.00 O ATOM 920 CB MET A 61 0.039 -2.891 -8.313 1.00 0.00 C ATOM 921 CG MET A 61 1.288 -2.461 -9.092 1.00 0.00 C ATOM 922 SD MET A 61 2.770 -3.492 -8.952 1.00 0.00 S ATOM 923 CE MET A 61 3.894 -2.216 -8.331 1.00 0.00 C ATOM 0 H MET A 61 1.908 -1.412 -6.662 1.00 0.00 H new ATOM 0 HA MET A 61 -0.618 -2.922 -6.234 1.00 0.00 H new ATOM 0 HB2 MET A 61 -0.247 -3.903 -8.600 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.798 -2.240 -8.566 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.020 -2.402 -10.147 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.551 -1.453 -8.773 1.00 0.00 H new ATOM 0 HE1 MET A 61 4.923 -2.498 -8.553 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.667 -1.265 -8.813 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.770 -2.115 -7.253 1.00 0.00 H new ATOM 933 N LEU A 62 0.539 -5.129 -6.204 1.00 0.00 N ATOM 934 CA LEU A 62 1.269 -6.402 -5.931 1.00 0.00 C ATOM 935 C LEU A 62 0.523 -7.562 -6.600 1.00 0.00 C ATOM 936 O LEU A 62 -0.692 -7.584 -6.622 1.00 0.00 O ATOM 937 CB LEU A 62 1.348 -6.619 -4.411 1.00 0.00 C ATOM 938 CG LEU A 62 -0.053 -6.512 -3.786 1.00 0.00 C ATOM 939 CD1 LEU A 62 -0.562 -7.919 -3.436 1.00 0.00 C ATOM 940 CD2 LEU A 62 0.030 -5.684 -2.497 1.00 0.00 C ATOM 0 H LEU A 62 -0.477 -5.214 -6.227 1.00 0.00 H new ATOM 0 HA LEU A 62 2.280 -6.353 -6.335 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.775 -7.599 -4.198 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.011 -5.878 -3.964 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.731 -6.035 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.555 -7.847 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.612 -8.524 -4.342 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.120 -8.386 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.961 -5.606 -2.050 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.707 -6.171 -1.795 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.404 -4.687 -2.729 1.00 0.00 H new ATOM 952 N LYS A 63 1.255 -8.490 -7.154 1.00 0.00 N ATOM 953 CA LYS A 63 0.582 -9.620 -7.863 1.00 0.00 C ATOM 954 C LYS A 63 1.298 -10.945 -7.600 1.00 0.00 C ATOM 955 O LYS A 63 2.452 -10.966 -7.220 1.00 0.00 O ATOM 956 CB LYS A 63 0.603 -9.326 -9.369 1.00 0.00 C ATOM 957 CG LYS A 63 -0.149 -8.013 -9.630 1.00 0.00 C ATOM 958 CD LYS A 63 -0.336 -7.823 -11.142 1.00 0.00 C ATOM 959 CE LYS A 63 1.032 -7.600 -11.796 1.00 0.00 C ATOM 960 NZ LYS A 63 0.853 -7.279 -13.240 1.00 0.00 N ATOM 0 H LYS A 63 2.275 -8.517 -7.148 1.00 0.00 H new ATOM 0 HA LYS A 63 -0.440 -9.709 -7.496 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.631 -9.249 -9.724 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.137 -10.143 -9.919 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.119 -8.031 -9.132 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.407 -7.174 -9.213 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.820 -8.699 -11.573 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.988 -6.971 -11.336 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.557 -6.786 -11.295 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.648 -8.492 -11.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.783 -7.128 -13.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.370 -8.069 -13.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.281 -6.416 -13.335 1.00 0.00 H new ATOM 974 N SER A 64 0.576 -12.018 -7.794 1.00 0.00 N ATOM 975 CA SER A 64 1.155 -13.380 -7.601 1.00 0.00 C ATOM 976 C SER A 64 1.367 -13.665 -6.111 1.00 0.00 C ATOM 977 O SER A 64 2.440 -14.053 -5.693 1.00 0.00 O ATOM 978 CB SER A 64 2.486 -13.479 -8.361 1.00 0.00 C ATOM 979 OG SER A 64 2.746 -14.874 -8.401 1.00 0.00 O ATOM 0 H SER A 64 -0.403 -12.008 -8.082 1.00 0.00 H new ATOM 0 HA SER A 64 0.461 -14.124 -7.993 1.00 0.00 H new ATOM 0 HB2 SER A 64 2.408 -13.057 -9.363 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.281 -12.938 -7.849 1.00 0.00 H new ATOM 0 HG SER A 64 3.588 -15.036 -8.876 1.00 0.00 H new ATOM 985 N LEU A 65 0.329 -13.462 -5.346 1.00 0.00 N ATOM 986 CA LEU A 65 0.426 -13.722 -3.880 1.00 0.00 C ATOM 987 C LEU A 65 -0.204 -15.072 -3.529 1.00 0.00 C ATOM 988 O LEU A 65 -0.649 -15.798 -4.395 1.00 0.00 O ATOM 989 CB LEU A 65 -0.321 -12.602 -3.140 1.00 0.00 C ATOM 990 CG LEU A 65 0.540 -11.326 -3.054 1.00 0.00 C ATOM 991 CD1 LEU A 65 1.926 -11.655 -2.483 1.00 0.00 C ATOM 992 CD2 LEU A 65 0.718 -10.729 -4.454 1.00 0.00 C ATOM 0 H LEU A 65 -0.579 -13.129 -5.670 1.00 0.00 H new ATOM 0 HA LEU A 65 1.475 -13.745 -3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.255 -12.380 -3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.583 -12.936 -2.136 1.00 0.00 H new ATOM 0 HG LEU A 65 0.036 -10.613 -2.401 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.523 -10.744 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.817 -12.078 -1.484 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.424 -12.377 -3.130 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.327 -9.827 -4.390 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.212 -11.456 -5.099 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.258 -10.479 -4.870 1.00 0.00 H new ATOM 1004 N ASP A 66 -0.231 -15.370 -2.257 1.00 0.00 N ATOM 1005 CA ASP A 66 -0.737 -16.701 -1.815 1.00 0.00 C ATOM 1006 C ASP A 66 -2.262 -16.775 -1.922 1.00 0.00 C ATOM 1007 O ASP A 66 -2.975 -15.908 -1.458 1.00 0.00 O ATOM 1008 CB ASP A 66 -0.332 -16.903 -0.351 1.00 0.00 C ATOM 1009 CG ASP A 66 1.194 -17.006 -0.256 1.00 0.00 C ATOM 1010 OD1 ASP A 66 1.818 -15.973 -0.435 1.00 0.00 O ATOM 1011 OD2 ASP A 66 1.646 -18.110 -0.009 1.00 0.00 O ATOM 0 H ASP A 66 0.075 -14.750 -1.507 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.311 -17.474 -2.454 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.690 -16.071 0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.794 -17.808 0.044 1.00 0.00 H new ATOM 1016 N TRP A 67 -2.740 -17.831 -2.523 1.00 0.00 N ATOM 1017 CA TRP A 67 -4.218 -17.981 -2.647 1.00 0.00 C ATOM 1018 C TRP A 67 -4.823 -18.345 -1.288 1.00 0.00 C ATOM 1019 O TRP A 67 -4.155 -18.897 -0.436 1.00 0.00 O ATOM 1020 CB TRP A 67 -4.513 -19.099 -3.650 1.00 0.00 C ATOM 1021 CG TRP A 67 -4.008 -18.678 -5.032 1.00 0.00 C ATOM 1022 CD1 TRP A 67 -2.713 -18.751 -5.460 1.00 0.00 C ATOM 1023 CD2 TRP A 67 -4.775 -18.198 -6.041 1.00 0.00 C ATOM 1024 NE1 TRP A 67 -2.789 -18.312 -6.699 1.00 0.00 N ATOM 1025 CE2 TRP A 67 -3.981 -17.957 -7.144 1.00 0.00 C ATOM 1026 CE3 TRP A 67 -6.133 -17.947 -6.100 1.00 0.00 C ATOM 1027 CZ2 TRP A 67 -4.542 -17.475 -8.311 1.00 0.00 C ATOM 1028 CZ3 TRP A 67 -6.697 -17.463 -7.267 1.00 0.00 C ATOM 1029 CH2 TRP A 67 -5.901 -17.229 -8.373 1.00 0.00 C ATOM 0 H TRP A 67 -2.183 -18.584 -2.927 1.00 0.00 H new ATOM 0 HA TRP A 67 -4.655 -17.042 -2.988 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -4.026 -20.023 -3.337 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.584 -19.299 -3.686 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -1.842 -19.086 -4.916 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -1.961 -18.249 -7.291 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -6.754 -18.129 -5.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -3.919 -17.291 -9.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.758 -17.268 -7.314 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -6.341 -16.854 -9.285 1.00 0.00 H new ATOM 1040 N ASN A 68 -6.080 -18.031 -1.131 1.00 0.00 N ATOM 1041 CA ASN A 68 -6.774 -18.302 0.162 1.00 0.00 C ATOM 1042 C ASN A 68 -5.932 -17.798 1.341 1.00 0.00 C ATOM 1043 O ASN A 68 -5.755 -18.484 2.329 1.00 0.00 O ATOM 1044 CB ASN A 68 -7.001 -19.818 0.267 1.00 0.00 C ATOM 1045 CG ASN A 68 -8.135 -20.102 1.256 1.00 0.00 C ATOM 1046 OD1 ASN A 68 -8.082 -19.725 2.411 1.00 0.00 O ATOM 1047 ND2 ASN A 68 -9.182 -20.760 0.841 1.00 0.00 N ATOM 0 H ASN A 68 -6.661 -17.595 -1.848 1.00 0.00 H new ATOM 0 HA ASN A 68 -7.729 -17.777 0.195 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -7.249 -20.227 -0.712 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.086 -20.311 0.596 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -9.949 -20.955 1.484 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -9.233 -21.079 -0.126 1.00 0.00 H new ATOM 1054 N ALA A 69 -5.429 -16.601 1.196 1.00 0.00 N ATOM 1055 CA ALA A 69 -4.584 -16.005 2.271 1.00 0.00 C ATOM 1056 C ALA A 69 -5.057 -14.588 2.595 1.00 0.00 C ATOM 1057 O ALA A 69 -5.608 -13.910 1.750 1.00 0.00 O ATOM 1058 CB ALA A 69 -3.154 -15.919 1.738 1.00 0.00 C ATOM 0 H ALA A 69 -5.567 -16.009 0.377 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.647 -16.617 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.507 -15.486 2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.799 -16.918 1.485 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.135 -15.291 0.847 1.00 0.00 H new ATOM 1064 N GLU A 70 -4.815 -14.168 3.808 1.00 0.00 N ATOM 1065 CA GLU A 70 -5.140 -12.763 4.189 1.00 0.00 C ATOM 1066 C GLU A 70 -3.881 -11.911 4.028 1.00 0.00 C ATOM 1067 O GLU A 70 -2.784 -12.406 4.195 1.00 0.00 O ATOM 1068 CB GLU A 70 -5.572 -12.746 5.660 1.00 0.00 C ATOM 1069 CG GLU A 70 -6.064 -11.337 6.019 1.00 0.00 C ATOM 1070 CD GLU A 70 -6.176 -11.218 7.542 1.00 0.00 C ATOM 1071 OE1 GLU A 70 -5.122 -11.178 8.158 1.00 0.00 O ATOM 1072 OE2 GLU A 70 -7.304 -11.174 7.999 1.00 0.00 O ATOM 0 H GLU A 70 -4.407 -14.736 4.550 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.939 -12.370 3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.364 -13.476 5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -4.737 -13.028 6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.373 -10.588 5.633 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.032 -11.147 5.555 1.00 0.00 H new ATOM 1079 N TYR A 71 -4.069 -10.661 3.696 1.00 0.00 N ATOM 1080 CA TYR A 71 -2.900 -9.763 3.480 1.00 0.00 C ATOM 1081 C TYR A 71 -3.055 -8.414 4.181 1.00 0.00 C ATOM 1082 O TYR A 71 -4.125 -7.837 4.204 1.00 0.00 O ATOM 1083 CB TYR A 71 -2.785 -9.500 1.983 1.00 0.00 C ATOM 1084 CG TYR A 71 -1.879 -10.561 1.363 1.00 0.00 C ATOM 1085 CD1 TYR A 71 -2.353 -11.834 1.128 1.00 0.00 C ATOM 1086 CD2 TYR A 71 -0.567 -10.261 1.063 1.00 0.00 C ATOM 1087 CE1 TYR A 71 -1.519 -12.800 0.604 1.00 0.00 C ATOM 1088 CE2 TYR A 71 0.266 -11.225 0.538 1.00 0.00 C ATOM 1089 CZ TYR A 71 -0.203 -12.502 0.310 1.00 0.00 C ATOM 1090 OH TYR A 71 0.644 -13.481 -0.168 1.00 0.00 O ATOM 0 H TYR A 71 -4.982 -10.224 3.565 1.00 0.00 H new ATOM 0 HA TYR A 71 -2.019 -10.255 3.891 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -3.771 -9.528 1.519 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.377 -8.505 1.805 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -3.381 -12.076 1.355 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -0.190 -9.265 1.241 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -1.898 -13.795 0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.291 -10.979 0.304 1.00 0.00 H new ATOM 0 HH TYR A 71 0.545 -14.292 0.373 1.00 0.00 H new ATOM 1100 N GLU A 72 -1.937 -7.939 4.663 1.00 0.00 N ATOM 1101 CA GLU A 72 -1.864 -6.605 5.323 1.00 0.00 C ATOM 1102 C GLU A 72 -0.887 -5.728 4.539 1.00 0.00 C ATOM 1103 O GLU A 72 0.271 -6.074 4.420 1.00 0.00 O ATOM 1104 CB GLU A 72 -1.271 -6.786 6.727 1.00 0.00 C ATOM 1105 CG GLU A 72 -2.368 -7.132 7.730 1.00 0.00 C ATOM 1106 CD GLU A 72 -2.652 -8.636 7.674 1.00 0.00 C ATOM 1107 OE1 GLU A 72 -1.910 -9.341 8.338 1.00 0.00 O ATOM 1108 OE2 GLU A 72 -3.585 -8.991 6.972 1.00 0.00 O ATOM 0 H GLU A 72 -1.047 -8.436 4.625 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.857 -6.158 5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.521 -7.577 6.712 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.764 -5.871 7.035 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.060 -6.846 8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -3.274 -6.571 7.503 1.00 0.00 H new ATOM 1115 N VAL A 73 -1.371 -4.630 4.027 1.00 0.00 N ATOM 1116 CA VAL A 73 -0.484 -3.686 3.287 1.00 0.00 C ATOM 1117 C VAL A 73 -0.367 -2.390 4.093 1.00 0.00 C ATOM 1118 O VAL A 73 -1.366 -1.779 4.415 1.00 0.00 O ATOM 1119 CB VAL A 73 -1.147 -3.367 1.935 1.00 0.00 C ATOM 1120 CG1 VAL A 73 -0.288 -2.359 1.166 1.00 0.00 C ATOM 1121 CG2 VAL A 73 -1.260 -4.645 1.098 1.00 0.00 C ATOM 0 H VAL A 73 -2.348 -4.344 4.089 1.00 0.00 H new ATOM 0 HA VAL A 73 0.503 -4.124 3.137 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.138 -2.953 2.119 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.759 -2.135 0.209 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.194 -1.442 1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 73 0.702 -2.782 0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.730 -4.414 0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -0.265 -5.055 0.923 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.865 -5.377 1.632 1.00 0.00 H new ATOM 1131 N TYR A 74 0.840 -2.001 4.403 1.00 0.00 N ATOM 1132 CA TYR A 74 1.046 -0.725 5.144 1.00 0.00 C ATOM 1133 C TYR A 74 1.730 0.269 4.205 1.00 0.00 C ATOM 1134 O TYR A 74 2.758 -0.032 3.630 1.00 0.00 O ATOM 1135 CB TYR A 74 1.960 -0.996 6.346 1.00 0.00 C ATOM 1136 CG TYR A 74 1.153 -1.625 7.487 1.00 0.00 C ATOM 1137 CD1 TYR A 74 0.413 -0.830 8.343 1.00 0.00 C ATOM 1138 CD2 TYR A 74 1.190 -2.989 7.706 1.00 0.00 C ATOM 1139 CE1 TYR A 74 -0.271 -1.390 9.402 1.00 0.00 C ATOM 1140 CE2 TYR A 74 0.503 -3.547 8.765 1.00 0.00 C ATOM 1141 CZ TYR A 74 -0.233 -2.752 9.617 1.00 0.00 C ATOM 1142 OH TYR A 74 -0.979 -3.323 10.628 1.00 0.00 O ATOM 0 H TYR A 74 1.692 -2.512 4.175 1.00 0.00 H new ATOM 0 HA TYR A 74 0.094 -0.322 5.489 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.772 -1.662 6.053 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.417 -0.066 6.683 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.370 0.237 8.181 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.761 -3.623 7.044 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -0.840 -0.758 10.067 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.542 -4.614 8.927 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.833 -4.292 10.635 1.00 0.00 H new ATOM 1152 N VAL A 75 1.121 1.415 4.057 1.00 0.00 N ATOM 1153 CA VAL A 75 1.681 2.449 3.139 1.00 0.00 C ATOM 1154 C VAL A 75 1.976 3.742 3.901 1.00 0.00 C ATOM 1155 O VAL A 75 1.090 4.334 4.486 1.00 0.00 O ATOM 1156 CB VAL A 75 0.641 2.747 2.048 1.00 0.00 C ATOM 1157 CG1 VAL A 75 1.214 3.796 1.088 1.00 0.00 C ATOM 1158 CG2 VAL A 75 0.346 1.464 1.264 1.00 0.00 C ATOM 0 H VAL A 75 0.259 1.680 4.533 1.00 0.00 H new ATOM 0 HA VAL A 75 2.608 2.076 2.704 1.00 0.00 H new ATOM 0 HB VAL A 75 -0.276 3.118 2.505 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.483 4.015 0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.441 4.709 1.639 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.126 3.412 0.632 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -0.392 1.673 0.489 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.264 1.100 0.802 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -0.045 0.705 1.942 1.00 0.00 H new ATOM 1168 N VAL A 76 3.219 4.136 3.873 1.00 0.00 N ATOM 1169 CA VAL A 76 3.622 5.434 4.489 1.00 0.00 C ATOM 1170 C VAL A 76 3.855 6.434 3.358 1.00 0.00 C ATOM 1171 O VAL A 76 4.196 6.031 2.266 1.00 0.00 O ATOM 1172 CB VAL A 76 4.963 5.237 5.210 1.00 0.00 C ATOM 1173 CG1 VAL A 76 5.128 6.311 6.292 1.00 0.00 C ATOM 1174 CG2 VAL A 76 5.010 3.852 5.862 1.00 0.00 C ATOM 0 H VAL A 76 3.981 3.610 3.446 1.00 0.00 H new ATOM 0 HA VAL A 76 2.856 5.782 5.182 1.00 0.00 H new ATOM 0 HB VAL A 76 5.771 5.320 4.483 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.080 6.170 6.803 1.00 0.00 H new ATOM 0 HG12 VAL A 76 5.107 7.298 5.831 1.00 0.00 H new ATOM 0 HG13 VAL A 76 4.314 6.230 7.013 1.00 0.00 H new ATOM 0 HG21 VAL A 76 5.965 3.722 6.371 1.00 0.00 H new ATOM 0 HG22 VAL A 76 4.199 3.762 6.584 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.900 3.085 5.095 1.00 0.00 H new ATOM 1184 N ALA A 77 3.738 7.704 3.636 1.00 0.00 N ATOM 1185 CA ALA A 77 3.980 8.694 2.544 1.00 0.00 C ATOM 1186 C ALA A 77 5.048 9.691 2.987 1.00 0.00 C ATOM 1187 O ALA A 77 5.226 9.906 4.170 1.00 0.00 O ATOM 1188 CB ALA A 77 2.671 9.437 2.264 1.00 0.00 C ATOM 0 H ALA A 77 3.492 8.093 4.546 1.00 0.00 H new ATOM 0 HA ALA A 77 4.321 8.183 1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.829 10.165 1.468 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.906 8.724 1.957 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.345 9.952 3.167 1.00 0.00 H new ATOM 1194 N GLU A 78 5.738 10.281 2.049 1.00 0.00 N ATOM 1195 CA GLU A 78 6.707 11.343 2.445 1.00 0.00 C ATOM 1196 C GLU A 78 6.164 12.678 1.938 1.00 0.00 C ATOM 1197 O GLU A 78 5.300 12.700 1.087 1.00 0.00 O ATOM 1198 CB GLU A 78 8.055 11.026 1.798 1.00 0.00 C ATOM 1199 CG GLU A 78 9.120 11.980 2.350 1.00 0.00 C ATOM 1200 CD GLU A 78 10.436 11.739 1.606 1.00 0.00 C ATOM 1201 OE1 GLU A 78 11.023 10.702 1.866 1.00 0.00 O ATOM 1202 OE2 GLU A 78 10.772 12.604 0.812 1.00 0.00 O ATOM 0 H GLU A 78 5.677 10.081 1.051 1.00 0.00 H new ATOM 0 HA GLU A 78 6.838 11.391 3.526 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.335 9.993 2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.985 11.129 0.715 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.800 13.015 2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.256 11.815 3.419 1.00 0.00 H new ATOM 1209 N ASN A 79 6.639 13.762 2.487 1.00 0.00 N ATOM 1210 CA ASN A 79 6.161 15.088 2.009 1.00 0.00 C ATOM 1211 C ASN A 79 7.273 16.131 2.150 1.00 0.00 C ATOM 1212 O ASN A 79 8.156 15.999 2.974 1.00 0.00 O ATOM 1213 CB ASN A 79 4.943 15.470 2.861 1.00 0.00 C ATOM 1214 CG ASN A 79 4.415 16.854 2.471 1.00 0.00 C ATOM 1215 OD1 ASN A 79 5.072 17.853 2.683 1.00 0.00 O ATOM 1216 ND2 ASN A 79 3.230 16.959 1.931 1.00 0.00 N ATOM 0 H ASN A 79 7.330 13.787 3.237 1.00 0.00 H new ATOM 0 HA ASN A 79 5.885 15.045 0.955 1.00 0.00 H new ATOM 0 HB2 ASN A 79 4.156 14.727 2.732 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.216 15.465 3.916 1.00 0.00 H new ATOM 0 HD21 ASN A 79 2.859 17.878 1.689 1.00 0.00 H new ATOM 0 HD22 ASN A 79 2.675 16.122 1.751 1.00 0.00 H new ATOM 1223 N GLN A 80 7.201 17.132 1.314 1.00 0.00 N ATOM 1224 CA GLN A 80 8.213 18.229 1.336 1.00 0.00 C ATOM 1225 C GLN A 80 8.623 18.624 2.759 1.00 0.00 C ATOM 1226 O GLN A 80 9.781 18.880 3.025 1.00 0.00 O ATOM 1227 CB GLN A 80 7.596 19.449 0.641 1.00 0.00 C ATOM 1228 CG GLN A 80 8.614 20.592 0.639 1.00 0.00 C ATOM 1229 CD GLN A 80 8.002 21.804 -0.067 1.00 0.00 C ATOM 1230 OE1 GLN A 80 7.660 21.754 -1.232 1.00 0.00 O ATOM 1231 NE2 GLN A 80 7.847 22.912 0.604 1.00 0.00 N ATOM 0 H GLN A 80 6.474 17.238 0.607 1.00 0.00 H new ATOM 0 HA GLN A 80 9.111 17.877 0.827 1.00 0.00 H new ATOM 0 HB2 GLN A 80 7.312 19.196 -0.381 1.00 0.00 H new ATOM 0 HB3 GLN A 80 6.687 19.756 1.158 1.00 0.00 H new ATOM 0 HG2 GLN A 80 8.890 20.852 1.661 1.00 0.00 H new ATOM 0 HG3 GLN A 80 9.527 20.282 0.131 1.00 0.00 H new ATOM 0 HE21 GLN A 80 8.132 22.960 1.582 1.00 0.00 H new ATOM 0 HE22 GLN A 80 7.441 23.730 0.150 1.00 0.00 H new ATOM 1240 N GLN A 81 7.662 18.654 3.642 1.00 0.00 N ATOM 1241 CA GLN A 81 7.947 19.096 5.036 1.00 0.00 C ATOM 1242 C GLN A 81 8.589 17.977 5.862 1.00 0.00 C ATOM 1243 O GLN A 81 9.547 18.208 6.572 1.00 0.00 O ATOM 1244 CB GLN A 81 6.617 19.496 5.692 1.00 0.00 C ATOM 1245 CG GLN A 81 5.902 20.527 4.809 1.00 0.00 C ATOM 1246 CD GLN A 81 6.806 21.748 4.617 1.00 0.00 C ATOM 1247 OE1 GLN A 81 7.284 21.998 3.430 1.00 0.00 O flip ATOM 1248 NE2 GLN A 81 7.085 22.482 5.546 1.00 0.00 N flip ATOM 0 H GLN A 81 6.694 18.392 3.458 1.00 0.00 H new ATOM 0 HA GLN A 81 8.644 19.933 5.002 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.987 18.617 5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 81 6.799 19.913 6.683 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.657 20.087 3.842 1.00 0.00 H new ATOM 0 HG3 GLN A 81 4.961 20.827 5.270 1.00 0.00 H new ATOM 0 HE21 GLN A 81 6.714 22.291 6.476 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.690 23.289 5.394 1.00 0.00 H new ATOM 1257 N GLY A 82 8.052 16.791 5.754 1.00 0.00 N ATOM 1258 CA GLY A 82 8.610 15.660 6.553 1.00 0.00 C ATOM 1259 C GLY A 82 8.031 14.327 6.079 1.00 0.00 C ATOM 1260 O GLY A 82 8.066 14.012 4.908 1.00 0.00 O ATOM 0 H GLY A 82 7.260 16.557 5.155 1.00 0.00 H new ATOM 0 HA2 GLY A 82 9.696 15.644 6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.382 15.807 7.609 1.00 0.00 H new ATOM 1264 N LYS A 83 7.497 13.577 7.006 1.00 0.00 N ATOM 1265 CA LYS A 83 6.894 12.261 6.645 1.00 0.00 C ATOM 1266 C LYS A 83 5.440 12.201 7.121 1.00 0.00 C ATOM 1267 O LYS A 83 5.044 12.940 8.001 1.00 0.00 O ATOM 1268 CB LYS A 83 7.712 11.166 7.339 1.00 0.00 C ATOM 1269 CG LYS A 83 7.141 9.790 6.973 1.00 0.00 C ATOM 1270 CD LYS A 83 8.074 8.698 7.510 1.00 0.00 C ATOM 1271 CE LYS A 83 9.243 8.520 6.537 1.00 0.00 C ATOM 1272 NZ LYS A 83 10.121 7.407 6.999 1.00 0.00 N ATOM 0 H LYS A 83 7.452 13.818 7.996 1.00 0.00 H new ATOM 0 HA LYS A 83 6.907 12.123 5.564 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.757 11.230 7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 83 7.685 11.307 8.420 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.143 9.673 7.396 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.041 9.700 5.891 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.444 8.971 8.498 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.531 7.760 7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.866 8.307 5.537 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.817 9.444 6.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 10.913 7.291 6.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 10.492 7.628 7.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 9.571 6.525 7.040 1.00 0.00 H new ATOM 1286 N SER A 84 4.678 11.323 6.525 1.00 0.00 N ATOM 1287 CA SER A 84 3.246 11.192 6.913 1.00 0.00 C ATOM 1288 C SER A 84 2.959 9.746 7.309 1.00 0.00 C ATOM 1289 O SER A 84 3.175 8.836 6.529 1.00 0.00 O ATOM 1290 CB SER A 84 2.378 11.573 5.714 1.00 0.00 C ATOM 1291 OG SER A 84 1.052 11.436 6.203 1.00 0.00 O ATOM 0 H SER A 84 4.987 10.691 5.786 1.00 0.00 H new ATOM 0 HA SER A 84 3.025 11.847 7.756 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.579 12.591 5.381 1.00 0.00 H new ATOM 0 HB3 SER A 84 2.561 10.917 4.863 1.00 0.00 H new ATOM 0 HG SER A 84 0.416 11.679 5.498 1.00 0.00 H new ATOM 1297 N LYS A 85 2.450 9.618 8.507 1.00 0.00 N ATOM 1298 CA LYS A 85 2.194 8.286 9.127 1.00 0.00 C ATOM 1299 C LYS A 85 1.605 7.269 8.152 1.00 0.00 C ATOM 1300 O LYS A 85 1.066 7.614 7.118 1.00 0.00 O ATOM 1301 CB LYS A 85 1.206 8.485 10.282 1.00 0.00 C ATOM 1302 CG LYS A 85 1.853 9.382 11.344 1.00 0.00 C ATOM 1303 CD LYS A 85 0.900 9.515 12.539 1.00 0.00 C ATOM 1304 CE LYS A 85 -0.276 10.416 12.145 1.00 0.00 C ATOM 1305 NZ LYS A 85 -1.166 10.630 13.322 1.00 0.00 N ATOM 0 H LYS A 85 2.194 10.408 9.099 1.00 0.00 H new ATOM 0 HA LYS A 85 3.152 7.888 9.462 1.00 0.00 H new ATOM 0 HB2 LYS A 85 0.285 8.939 9.916 1.00 0.00 H new ATOM 0 HB3 LYS A 85 0.936 7.522 10.716 1.00 0.00 H new ATOM 0 HG2 LYS A 85 2.803 8.957 11.667 1.00 0.00 H new ATOM 0 HG3 LYS A 85 2.069 10.365 10.925 1.00 0.00 H new ATOM 0 HD2 LYS A 85 0.536 8.533 12.841 1.00 0.00 H new ATOM 0 HD3 LYS A 85 1.427 9.937 13.395 1.00 0.00 H new ATOM 0 HE2 LYS A 85 0.095 11.374 11.779 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -0.839 9.960 11.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.962 11.242 13.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -1.531 9.714 13.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.627 11.084 14.087 1.00 0.00 H new ATOM 1319 N ALA A 86 1.680 6.029 8.550 1.00 0.00 N ATOM 1320 CA ALA A 86 1.245 4.936 7.640 1.00 0.00 C ATOM 1321 C ALA A 86 -0.262 4.696 7.727 1.00 0.00 C ATOM 1322 O ALA A 86 -0.856 4.751 8.786 1.00 0.00 O ATOM 1323 CB ALA A 86 1.972 3.655 8.057 1.00 0.00 C ATOM 0 H ALA A 86 2.022 5.728 9.462 1.00 0.00 H new ATOM 0 HA ALA A 86 1.483 5.218 6.614 1.00 0.00 H new ATOM 0 HB1 ALA A 86 1.670 2.836 7.404 1.00 0.00 H new ATOM 0 HB2 ALA A 86 3.049 3.805 7.977 1.00 0.00 H new ATOM 0 HB3 ALA A 86 1.716 3.410 9.088 1.00 0.00 H new ATOM 1329 N ALA A 87 -0.829 4.437 6.581 1.00 0.00 N ATOM 1330 CA ALA A 87 -2.250 3.999 6.520 1.00 0.00 C ATOM 1331 C ALA A 87 -2.234 2.491 6.279 1.00 0.00 C ATOM 1332 O ALA A 87 -1.361 1.994 5.595 1.00 0.00 O ATOM 1333 CB ALA A 87 -2.928 4.699 5.340 1.00 0.00 C ATOM 0 H ALA A 87 -0.363 4.511 5.677 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.789 4.242 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -3.971 4.387 5.283 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.879 5.779 5.481 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.418 4.430 4.415 1.00 0.00 H new ATOM 1339 N HIS A 88 -3.178 1.798 6.854 1.00 0.00 N ATOM 1340 CA HIS A 88 -3.153 0.313 6.748 1.00 0.00 C ATOM 1341 C HIS A 88 -4.351 -0.203 5.946 1.00 0.00 C ATOM 1342 O HIS A 88 -5.487 0.138 6.208 1.00 0.00 O ATOM 1343 CB HIS A 88 -3.166 -0.270 8.162 1.00 0.00 C ATOM 1344 CG HIS A 88 -3.005 -1.790 8.080 1.00 0.00 C ATOM 1345 ND1 HIS A 88 -3.648 -2.652 8.803 1.00 0.00 N ATOM 1346 CD2 HIS A 88 -2.171 -2.560 7.293 1.00 0.00 C ATOM 1347 CE1 HIS A 88 -3.253 -3.850 8.499 1.00 0.00 C ATOM 1348 NE2 HIS A 88 -2.339 -3.837 7.562 1.00 0.00 N ATOM 0 H HIS A 88 -3.956 2.189 7.386 1.00 0.00 H new ATOM 0 HA HIS A 88 -2.251 0.001 6.221 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -2.359 0.162 8.754 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -4.100 -0.018 8.664 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -4.355 -2.424 9.502 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -1.479 -2.170 6.561 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -3.632 -4.749 8.963 1.00 0.00 H new ATOM 1356 N PHE A 89 -4.035 -1.025 4.983 1.00 0.00 N ATOM 1357 CA PHE A 89 -5.070 -1.601 4.080 1.00 0.00 C ATOM 1358 C PHE A 89 -5.086 -3.117 4.280 1.00 0.00 C ATOM 1359 O PHE A 89 -4.055 -3.753 4.217 1.00 0.00 O ATOM 1360 CB PHE A 89 -4.640 -1.277 2.644 1.00 0.00 C ATOM 1361 CG PHE A 89 -5.534 -2.009 1.642 1.00 0.00 C ATOM 1362 CD1 PHE A 89 -6.833 -1.590 1.436 1.00 0.00 C ATOM 1363 CD2 PHE A 89 -5.046 -3.081 0.918 1.00 0.00 C ATOM 1364 CE1 PHE A 89 -7.636 -2.235 0.520 1.00 0.00 C ATOM 1365 CE2 PHE A 89 -5.846 -3.725 -0.003 1.00 0.00 C ATOM 1366 CZ PHE A 89 -7.143 -3.304 -0.199 1.00 0.00 C ATOM 0 H PHE A 89 -3.082 -1.327 4.781 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.061 -1.197 4.285 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -4.697 -0.202 2.474 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.600 -1.569 2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.222 -0.752 1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.031 -3.417 1.075 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -8.652 -1.903 0.365 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.456 -4.558 -0.569 1.00 0.00 H new ATOM 0 HZ PHE A 89 -7.773 -3.810 -0.915 1.00 0.00 H new ATOM 1376 N VAL A 90 -6.245 -3.661 4.530 1.00 0.00 N ATOM 1377 CA VAL A 90 -6.315 -5.129 4.785 1.00 0.00 C ATOM 1378 C VAL A 90 -7.288 -5.788 3.806 1.00 0.00 C ATOM 1379 O VAL A 90 -8.359 -5.273 3.555 1.00 0.00 O ATOM 1380 CB VAL A 90 -6.806 -5.364 6.221 1.00 0.00 C ATOM 1381 CG1 VAL A 90 -6.174 -6.657 6.739 1.00 0.00 C ATOM 1382 CG2 VAL A 90 -6.358 -4.205 7.120 1.00 0.00 C ATOM 0 H VAL A 90 -7.134 -3.163 4.569 1.00 0.00 H new ATOM 0 HA VAL A 90 -5.325 -5.565 4.650 1.00 0.00 H new ATOM 0 HB VAL A 90 -7.894 -5.431 6.232 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -6.510 -6.843 7.759 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -6.473 -7.489 6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -5.088 -6.562 6.726 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.709 -4.377 8.137 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.270 -4.142 7.117 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.776 -3.271 6.745 1.00 0.00 H new ATOM 1392 N PHE A 91 -6.885 -6.908 3.271 1.00 0.00 N ATOM 1393 CA PHE A 91 -7.784 -7.611 2.309 1.00 0.00 C ATOM 1394 C PHE A 91 -7.500 -9.113 2.292 1.00 0.00 C ATOM 1395 O PHE A 91 -6.598 -9.587 2.953 1.00 0.00 O ATOM 1396 CB PHE A 91 -7.547 -7.026 0.910 1.00 0.00 C ATOM 1397 CG PHE A 91 -6.178 -7.477 0.390 1.00 0.00 C ATOM 1398 CD1 PHE A 91 -6.062 -8.650 -0.333 1.00 0.00 C ATOM 1399 CD2 PHE A 91 -5.050 -6.719 0.635 1.00 0.00 C ATOM 1400 CE1 PHE A 91 -4.831 -9.060 -0.802 1.00 0.00 C ATOM 1401 CE2 PHE A 91 -3.820 -7.125 0.159 1.00 0.00 C ATOM 1402 CZ PHE A 91 -3.710 -8.297 -0.559 1.00 0.00 C ATOM 0 H PHE A 91 -5.989 -7.361 3.453 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.820 -7.468 2.615 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.332 -7.355 0.229 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -7.593 -5.938 0.947 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -6.939 -9.248 -0.531 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.131 -5.803 1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.746 -9.980 -1.360 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -2.943 -6.524 0.349 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.747 -8.616 -0.930 1.00 0.00 H new ATOM 1412 N ARG A 92 -8.277 -9.823 1.520 1.00 0.00 N ATOM 1413 CA ARG A 92 -8.051 -11.291 1.386 1.00 0.00 C ATOM 1414 C ARG A 92 -7.968 -11.670 -0.094 1.00 0.00 C ATOM 1415 O ARG A 92 -8.670 -11.117 -0.918 1.00 0.00 O ATOM 1416 CB ARG A 92 -9.239 -12.021 2.024 1.00 0.00 C ATOM 1417 CG ARG A 92 -8.740 -13.324 2.658 1.00 0.00 C ATOM 1418 CD ARG A 92 -9.855 -14.373 2.604 1.00 0.00 C ATOM 1419 NE ARG A 92 -9.462 -15.406 1.602 1.00 0.00 N ATOM 1420 CZ ARG A 92 -9.325 -16.648 1.978 1.00 0.00 C ATOM 1421 NH1 ARG A 92 -8.421 -16.940 2.872 1.00 0.00 N ATOM 1422 NH2 ARG A 92 -10.086 -17.558 1.435 1.00 0.00 N ATOM 0 H ARG A 92 -9.057 -9.451 0.977 1.00 0.00 H new ATOM 0 HA ARG A 92 -7.119 -11.569 1.879 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -9.708 -11.390 2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -9.998 -12.235 1.272 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.859 -13.686 2.128 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -8.441 -13.148 3.691 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.000 -14.827 3.584 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -10.801 -13.910 2.324 1.00 0.00 H new ATOM 0 HE ARG A 92 -9.301 -15.143 0.630 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.836 -16.203 3.265 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -8.300 -17.905 3.178 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -10.773 -17.293 0.729 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -9.994 -18.534 1.716 1.00 0.00 H new ATOM 1436 N THR A 93 -7.121 -12.618 -0.396 1.00 0.00 N ATOM 1437 CA THR A 93 -7.011 -13.086 -1.808 1.00 0.00 C ATOM 1438 C THR A 93 -8.123 -14.109 -2.069 1.00 0.00 C ATOM 1439 O THR A 93 -8.704 -14.627 -1.136 1.00 0.00 O ATOM 1440 CB THR A 93 -5.641 -13.754 -2.008 1.00 0.00 C ATOM 1441 OG1 THR A 93 -5.659 -14.893 -1.160 1.00 0.00 O ATOM 1442 CG2 THR A 93 -4.506 -12.893 -1.435 1.00 0.00 C ATOM 0 H THR A 93 -6.505 -13.086 0.269 1.00 0.00 H new ATOM 0 HA THR A 93 -7.109 -12.247 -2.496 1.00 0.00 H new ATOM 0 HB THR A 93 -5.482 -13.940 -3.070 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.853 -14.898 -0.602 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.552 -13.396 -1.594 1.00 0.00 H new ATOM 0 HG22 THR A 93 -4.494 -11.926 -1.937 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.665 -12.746 -0.367 1.00 0.00 H new ATOM 1450 N SER A 94 -8.392 -14.376 -3.318 1.00 0.00 N ATOM 1451 CA SER A 94 -9.471 -15.352 -3.644 1.00 0.00 C ATOM 1452 C SER A 94 -8.941 -16.782 -3.526 1.00 0.00 C ATOM 1453 O SER A 94 -7.830 -16.997 -3.084 1.00 0.00 O ATOM 1454 CB SER A 94 -9.922 -15.108 -5.087 1.00 0.00 C ATOM 1455 OG SER A 94 -9.927 -13.693 -5.199 1.00 0.00 O ATOM 0 H SER A 94 -7.916 -13.965 -4.121 1.00 0.00 H new ATOM 0 HA SER A 94 -10.302 -15.222 -2.951 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.239 -15.565 -5.803 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.910 -15.529 -5.275 1.00 0.00 H new ATOM 0 HG SER A 94 -9.064 -13.390 -5.551 1.00 0.00 H new ATOM 1461 N ALA A 95 -9.755 -17.731 -3.901 1.00 0.00 N ATOM 1462 CA ALA A 95 -9.310 -19.153 -3.842 1.00 0.00 C ATOM 1463 C ALA A 95 -8.821 -19.611 -5.217 1.00 0.00 C ATOM 1464 O ALA A 95 -9.293 -19.145 -6.237 1.00 0.00 O ATOM 1465 CB ALA A 95 -10.503 -20.012 -3.421 1.00 0.00 C ATOM 0 H ALA A 95 -10.704 -17.585 -4.244 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.493 -19.253 -3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -10.199 -21.058 -3.372 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.856 -19.690 -2.441 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.306 -19.902 -4.150 1.00 0.00 H new ATOM 1471 N GLN A 96 -7.890 -20.523 -5.209 1.00 0.00 N ATOM 1472 CA GLN A 96 -7.324 -21.024 -6.496 1.00 0.00 C ATOM 1473 C GLN A 96 -8.170 -22.180 -7.042 1.00 0.00 C ATOM 1474 O GLN A 96 -8.835 -22.798 -6.229 1.00 0.00 O ATOM 1475 CB GLN A 96 -5.900 -21.521 -6.228 1.00 0.00 C ATOM 1476 CG GLN A 96 -5.130 -21.571 -7.551 1.00 0.00 C ATOM 1477 CD GLN A 96 -3.661 -21.888 -7.261 1.00 0.00 C ATOM 1478 OE1 GLN A 96 -3.329 -22.925 -6.724 1.00 0.00 O ATOM 1479 NE2 GLN A 96 -2.751 -21.016 -7.600 1.00 0.00 N ATOM 1480 OXT GLN A 96 -8.096 -22.379 -8.243 1.00 0.00 O ATOM 0 H GLN A 96 -7.495 -20.944 -4.368 1.00 0.00 H new ATOM 0 HA GLN A 96 -7.322 -20.221 -7.233 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.396 -20.858 -5.525 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -5.927 -22.510 -5.771 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.557 -22.330 -8.206 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -5.214 -20.617 -8.072 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -3.024 -20.143 -8.051 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -1.767 -21.207 -7.414 1.00 0.00 H new TER 1489 GLN A 96