USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 724 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 71 SER OG : rot -161:sc= 0.117 USER MOD Set 1.2: A 72 SER OG : rot 180:sc= -0.332 USER MOD Set 2.1: A 48 SER OG : rot -32:sc= -0.0349 USER MOD Set 2.2: A 57 HIS : no HE2:sc= -12! C(o=-12!,f=-15!) USER MOD Set 3.1: A 38 SER OG : rot -152:sc= 0.725 USER MOD Set 3.2: A 41 SER OG : rot -170:sc= -0.274 USER MOD Set 4.1: A 17 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 19 ASN : amide:sc= -0.0523 K(o=-0.052,f=-0.65) USER MOD Set 5.1: A 8 LYS NZ :NH3+ -173:sc= 0.115 (180deg=-0.166) USER MOD Set 5.2: A 9 HIS : no HD1:sc= -8.73! C(o=-8.6!,f=-12!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 41:sc= -1.1 USER MOD Single : A 13 HIS : no HE2:sc= -6.46! C(o=-6.5!,f=-6.1!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot -115:sc= -1.09 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN :FLIP amide:sc= -0.0534! F(o=-0.94,f=-0.053!) USER MOD Single : A 32 SER OG : rot -105:sc= -1.37! USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -3.88! C(o=-3.9!,f=-11!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.09 K(o=-1.1,f=-1.8!) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc=-0.00232 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 112:sc= 0.374 USER MOD Single : A 77 ASN : amide:sc=-0.00783 X(o=-0.0078,f=0) USER MOD Single : A 78 THR OG1 : rot -144:sc= 0.637 USER MOD Single : A 84 HIS : no HD1:sc= -0.449 X(o=-0.45,f=-0.74) USER MOD Single : A 85 HIS : no HE2:sc= -5.81! X(o=-5.8!,f=-5.7) USER MOD Single : A 86 HIS : no HE2:sc= -15.1! C(o=-15!,f=-17!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc=-0.000991 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.466 USER MOD Single : A 96 THR OG1 : rot -5:sc= 0.615! USER MOD Single : A 98 HIS :FLIP no HE2:sc= -0.498 F(o=-1.5,f=-0.5) USER MOD Single : A 99 TYR OH : rot 180:sc= -0.716 USER MOD ----------------------------------------------------------------- ATOM 53 N LEU A 6 -2.039 2.248 -1.324 1.00 1.00 N ATOM 54 CA LEU A 6 -1.414 3.546 -1.137 1.00 1.00 C ATOM 55 C LEU A 6 -2.409 4.645 -1.515 1.00 1.00 C ATOM 56 O LEU A 6 -2.648 4.892 -2.696 1.00 1.00 O ATOM 57 CB LEU A 6 -0.093 3.621 -1.907 1.00 1.00 C ATOM 58 CG LEU A 6 0.857 4.749 -1.501 1.00 1.00 C ATOM 59 CD1 LEU A 6 2.159 4.187 -0.926 1.00 1.00 C ATOM 60 CD2 LEU A 6 1.111 5.700 -2.671 1.00 1.00 C ATOM 0 HA LEU A 6 -1.154 3.696 -0.089 1.00 1.00 H new ATOM 0 HB2 LEU A 6 0.429 2.672 -1.786 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -0.319 3.728 -2.968 1.00 1.00 H new ATOM 0 HG LEU A 6 0.380 5.331 -0.712 1.00 1.00 H new ATOM 0 HD11 LEU A 6 2.817 5.009 -0.645 1.00 1.00 H new ATOM 0 HD12 LEU A 6 1.937 3.583 -0.046 1.00 1.00 H new ATOM 0 HD13 LEU A 6 2.651 3.568 -1.677 1.00 1.00 H new ATOM 0 HD21 LEU A 6 1.789 6.492 -2.355 1.00 1.00 H new ATOM 0 HD22 LEU A 6 1.558 5.148 -3.498 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.167 6.138 -2.995 1.00 1.00 H new ATOM 72 N GLU A 7 -2.963 5.275 -0.489 1.00 1.00 N ATOM 73 CA GLU A 7 -3.926 6.342 -0.698 1.00 1.00 C ATOM 74 C GLU A 7 -3.212 7.629 -1.120 1.00 1.00 C ATOM 75 O GLU A 7 -3.188 8.603 -0.370 1.00 1.00 O ATOM 76 CB GLU A 7 -4.772 6.571 0.556 1.00 1.00 C ATOM 77 CG GLU A 7 -6.241 6.235 0.295 1.00 1.00 C ATOM 78 CD GLU A 7 -7.101 6.542 1.522 1.00 1.00 C ATOM 79 OE1 GLU A 7 -7.427 7.712 1.774 1.00 1.00 O ATOM 80 OE2 GLU A 7 -7.433 5.514 2.227 1.00 1.00 O ATOM 0 H GLU A 7 -2.763 5.067 0.489 1.00 1.00 H new ATOM 0 HA GLU A 7 -4.599 6.043 -1.502 1.00 1.00 H new ATOM 0 HB2 GLU A 7 -4.394 5.955 1.372 1.00 1.00 H new ATOM 0 HB3 GLU A 7 -4.684 7.610 0.874 1.00 1.00 H new ATOM 0 HG2 GLU A 7 -6.602 6.808 -0.559 1.00 1.00 H new ATOM 0 HG3 GLU A 7 -6.336 5.181 0.035 1.00 1.00 H new ATOM 87 N LYS A 8 -2.646 7.588 -2.318 1.00 1.00 N ATOM 88 CA LYS A 8 -1.933 8.737 -2.847 1.00 1.00 C ATOM 89 C LYS A 8 -2.878 9.940 -2.899 1.00 1.00 C ATOM 90 O LYS A 8 -3.208 10.520 -1.865 1.00 1.00 O ATOM 91 CB LYS A 8 -1.296 8.398 -4.196 1.00 1.00 C ATOM 92 CG LYS A 8 0.035 9.130 -4.373 1.00 1.00 C ATOM 93 CD LYS A 8 -0.191 10.606 -4.710 1.00 1.00 C ATOM 94 CE LYS A 8 0.615 11.512 -3.775 1.00 1.00 C ATOM 95 NZ LYS A 8 -0.141 11.778 -2.532 1.00 1.00 N ATOM 0 H LYS A 8 -2.667 6.777 -2.936 1.00 1.00 H new ATOM 0 HA LYS A 8 -1.107 9.008 -2.189 1.00 1.00 H new ATOM 0 HB2 LYS A 8 -1.136 7.322 -4.266 1.00 1.00 H new ATOM 0 HB3 LYS A 8 -1.976 8.672 -5.002 1.00 1.00 H new ATOM 0 HG2 LYS A 8 0.623 9.048 -3.459 1.00 1.00 H new ATOM 0 HG3 LYS A 8 0.612 8.656 -5.167 1.00 1.00 H new ATOM 0 HD2 LYS A 8 0.098 10.795 -5.744 1.00 1.00 H new ATOM 0 HD3 LYS A 8 -1.252 10.843 -4.627 1.00 1.00 H new ATOM 0 HE2 LYS A 8 1.568 11.040 -3.534 1.00 1.00 H new ATOM 0 HE3 LYS A 8 0.843 12.452 -4.277 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 0.365 12.486 -1.963 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 -1.087 12.138 -2.771 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 -0.234 10.897 -1.987 1.00 1.00 H new ATOM 109 N HIS A 9 -3.288 10.278 -4.113 1.00 1.00 N ATOM 110 CA HIS A 9 -4.188 11.400 -4.312 1.00 1.00 C ATOM 111 C HIS A 9 -5.636 10.934 -4.140 1.00 1.00 C ATOM 112 O HIS A 9 -5.884 9.767 -3.840 1.00 1.00 O ATOM 113 CB HIS A 9 -3.938 12.064 -5.668 1.00 1.00 C ATOM 114 CG HIS A 9 -2.896 13.157 -5.633 1.00 1.00 C ATOM 115 ND1 HIS A 9 -1.906 13.218 -4.668 1.00 1.00 N ATOM 116 CD2 HIS A 9 -2.700 14.228 -6.454 1.00 1.00 C ATOM 117 CE1 HIS A 9 -1.154 14.283 -4.907 1.00 1.00 C ATOM 118 NE2 HIS A 9 -1.649 14.908 -6.014 1.00 1.00 N ATOM 0 H HIS A 9 -3.013 9.794 -4.968 1.00 1.00 H new ATOM 0 HA HIS A 9 -3.995 12.162 -3.557 1.00 1.00 H new ATOM 0 HB2 HIS A 9 -3.627 11.302 -6.382 1.00 1.00 H new ATOM 0 HB3 HIS A 9 -4.876 12.481 -6.035 1.00 1.00 H new ATOM 0 HD2 HIS A 9 -3.299 14.480 -7.317 1.00 1.00 H new ATOM 0 HE1 HIS A 9 -0.300 14.600 -4.327 1.00 1.00 H new ATOM 0 HE2 HIS A 9 -1.273 15.758 -6.434 1.00 1.00 H new ATOM 126 N SER A 10 -6.552 11.870 -4.337 1.00 1.00 N ATOM 127 CA SER A 10 -7.969 11.570 -4.206 1.00 1.00 C ATOM 128 C SER A 10 -8.493 10.947 -5.501 1.00 1.00 C ATOM 129 O SER A 10 -9.652 11.145 -5.864 1.00 1.00 O ATOM 130 CB SER A 10 -8.769 12.826 -3.858 1.00 1.00 C ATOM 131 OG SER A 10 -8.283 13.456 -2.676 1.00 1.00 O ATOM 0 H SER A 10 -6.342 12.836 -4.586 1.00 1.00 H new ATOM 0 HA SER A 10 -8.094 10.857 -3.391 1.00 1.00 H new ATOM 0 HB2 SER A 10 -8.721 13.529 -4.690 1.00 1.00 H new ATOM 0 HB3 SER A 10 -9.818 12.562 -3.724 1.00 1.00 H new ATOM 0 HG SER A 10 -8.818 14.255 -2.488 1.00 1.00 H new ATOM 137 N TRP A 11 -7.614 10.212 -6.166 1.00 1.00 N ATOM 138 CA TRP A 11 -7.975 9.560 -7.414 1.00 1.00 C ATOM 139 C TRP A 11 -7.117 8.301 -7.555 1.00 1.00 C ATOM 140 O TRP A 11 -6.978 7.759 -8.650 1.00 1.00 O ATOM 141 CB TRP A 11 -7.826 10.520 -8.596 1.00 1.00 C ATOM 142 CG TRP A 11 -6.605 11.438 -8.503 1.00 1.00 C ATOM 143 CD1 TRP A 11 -6.582 12.771 -8.370 1.00 1.00 C ATOM 144 CD2 TRP A 11 -5.220 11.032 -8.541 1.00 1.00 C ATOM 145 NE1 TRP A 11 -5.291 13.253 -8.319 1.00 1.00 N ATOM 146 CE2 TRP A 11 -4.436 12.164 -8.428 1.00 1.00 C ATOM 147 CE3 TRP A 11 -4.650 9.755 -8.668 1.00 1.00 C ATOM 148 CZ2 TRP A 11 -3.037 12.128 -8.429 1.00 1.00 C ATOM 149 CZ3 TRP A 11 -3.249 9.737 -8.669 1.00 1.00 C ATOM 150 CH2 TRP A 11 -2.445 10.864 -8.554 1.00 1.00 C ATOM 0 H TRP A 11 -6.653 10.053 -5.864 1.00 1.00 H new ATOM 0 HA TRP A 11 -9.025 9.267 -7.407 1.00 1.00 H new ATOM 0 HB2 TRP A 11 -7.762 9.939 -9.516 1.00 1.00 H new ATOM 0 HB3 TRP A 11 -8.724 11.133 -8.668 1.00 1.00 H new ATOM 0 HD1 TRP A 11 -7.464 13.391 -8.310 1.00 1.00 H new ATOM 0 HE1 TRP A 11 -5.015 14.230 -8.220 1.00 1.00 H new ATOM 0 HE3 TRP A 11 -5.244 8.858 -8.758 1.00 1.00 H new ATOM 0 HZ2 TRP A 11 -2.445 13.027 -8.338 1.00 1.00 H new ATOM 0 HZ3 TRP A 11 -2.760 8.779 -8.766 1.00 1.00 H new ATOM 0 HH2 TRP A 11 -1.369 10.767 -8.561 1.00 1.00 H new ATOM 161 N TYR A 12 -6.563 7.871 -6.429 1.00 1.00 N ATOM 162 CA TYR A 12 -5.723 6.686 -6.414 1.00 1.00 C ATOM 163 C TYR A 12 -6.342 5.588 -5.548 1.00 1.00 C ATOM 164 O TYR A 12 -6.865 5.862 -4.469 1.00 1.00 O ATOM 165 CB TYR A 12 -4.393 7.121 -5.794 1.00 1.00 C ATOM 166 CG TYR A 12 -3.164 6.510 -6.469 1.00 1.00 C ATOM 167 CD1 TYR A 12 -3.009 6.606 -7.837 1.00 1.00 C ATOM 168 CD2 TYR A 12 -2.208 5.865 -5.711 1.00 1.00 C ATOM 169 CE1 TYR A 12 -1.852 6.031 -8.474 1.00 1.00 C ATOM 170 CE2 TYR A 12 -1.050 5.291 -6.346 1.00 1.00 C ATOM 171 CZ TYR A 12 -0.929 5.402 -7.695 1.00 1.00 C ATOM 172 OH TYR A 12 0.164 4.861 -8.296 1.00 1.00 O ATOM 0 H TYR A 12 -6.680 8.323 -5.522 1.00 1.00 H new ATOM 0 HA TYR A 12 -5.604 6.286 -7.421 1.00 1.00 H new ATOM 0 HB2 TYR A 12 -4.319 8.207 -5.842 1.00 1.00 H new ATOM 0 HB3 TYR A 12 -4.389 6.848 -4.739 1.00 1.00 H new ATOM 0 HD1 TYR A 12 -3.756 7.113 -8.430 1.00 1.00 H new ATOM 0 HD2 TYR A 12 -2.328 5.791 -4.640 1.00 1.00 H new ATOM 0 HE1 TYR A 12 -1.720 6.097 -9.544 1.00 1.00 H new ATOM 0 HE2 TYR A 12 -0.295 4.784 -5.764 1.00 1.00 H new ATOM 0 HH TYR A 12 0.490 5.470 -8.991 1.00 1.00 H new ATOM 182 N HIS A 13 -6.258 4.365 -6.052 1.00 1.00 N ATOM 183 CA HIS A 13 -6.804 3.223 -5.337 1.00 1.00 C ATOM 184 C HIS A 13 -5.828 2.048 -5.426 1.00 1.00 C ATOM 185 O HIS A 13 -5.190 1.691 -4.436 1.00 1.00 O ATOM 186 CB HIS A 13 -8.200 2.873 -5.857 1.00 1.00 C ATOM 187 CG HIS A 13 -8.517 3.462 -7.211 1.00 1.00 C ATOM 188 ND1 HIS A 13 -9.812 3.623 -7.674 1.00 1.00 N ATOM 189 CD2 HIS A 13 -7.695 3.928 -8.195 1.00 1.00 C ATOM 190 CE1 HIS A 13 -9.759 4.161 -8.884 1.00 1.00 C ATOM 191 NE2 HIS A 13 -8.447 4.348 -9.205 1.00 1.00 N ATOM 0 H HIS A 13 -5.821 4.140 -6.946 1.00 1.00 H new ATOM 0 HA HIS A 13 -6.924 3.473 -4.283 1.00 1.00 H new ATOM 0 HB2 HIS A 13 -8.294 1.789 -5.913 1.00 1.00 H new ATOM 0 HB3 HIS A 13 -8.942 3.221 -5.138 1.00 1.00 H new ATOM 0 HD1 HIS A 13 -10.662 3.371 -7.170 1.00 1.00 H new ATOM 0 HD2 HIS A 13 -6.616 3.951 -8.158 1.00 1.00 H new ATOM 0 HE1 HIS A 13 -10.606 4.408 -9.507 1.00 1.00 H new ATOM 199 N GLY A 14 -5.741 1.481 -6.620 1.00 1.00 N ATOM 200 CA GLY A 14 -4.852 0.354 -6.850 1.00 1.00 C ATOM 201 C GLY A 14 -4.904 -0.095 -8.312 1.00 1.00 C ATOM 202 O GLY A 14 -5.438 0.613 -9.164 1.00 1.00 O ATOM 0 H GLY A 14 -6.271 1.780 -7.438 1.00 1.00 H new ATOM 0 HA2 GLY A 14 -3.831 0.632 -6.587 1.00 1.00 H new ATOM 0 HA3 GLY A 14 -5.134 -0.475 -6.201 1.00 1.00 H new ATOM 206 N PRO A 15 -4.327 -1.300 -8.564 1.00 1.00 N ATOM 207 CA PRO A 15 -4.302 -1.853 -9.907 1.00 1.00 C ATOM 208 C PRO A 15 -5.679 -2.390 -10.305 1.00 1.00 C ATOM 209 O PRO A 15 -6.285 -3.163 -9.563 1.00 1.00 O ATOM 210 CB PRO A 15 -3.231 -2.931 -9.870 1.00 1.00 C ATOM 211 CG PRO A 15 -3.023 -3.261 -8.400 1.00 1.00 C ATOM 212 CD PRO A 15 -3.684 -2.166 -7.579 1.00 1.00 C ATOM 0 HA PRO A 15 -4.068 -1.105 -10.665 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -3.545 -3.813 -10.428 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -2.306 -2.578 -10.326 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -3.457 -4.232 -8.161 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -1.959 -3.322 -8.169 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -4.412 -2.579 -6.881 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -2.951 -1.617 -6.988 1.00 1.00 H new ATOM 220 N VAL A 16 -6.130 -1.961 -11.473 1.00 1.00 N ATOM 221 CA VAL A 16 -7.424 -2.389 -11.978 1.00 1.00 C ATOM 222 C VAL A 16 -7.393 -2.395 -13.508 1.00 1.00 C ATOM 223 O VAL A 16 -6.701 -1.584 -14.122 1.00 1.00 O ATOM 224 CB VAL A 16 -8.531 -1.500 -11.405 1.00 1.00 C ATOM 225 CG1 VAL A 16 -9.896 -1.893 -11.970 1.00 1.00 C ATOM 226 CG2 VAL A 16 -8.534 -1.544 -9.877 1.00 1.00 C ATOM 0 H VAL A 16 -5.623 -1.321 -12.085 1.00 1.00 H new ATOM 0 HA VAL A 16 -7.643 -3.406 -11.653 1.00 1.00 H new ATOM 0 HB VAL A 16 -8.327 -0.473 -11.708 1.00 1.00 H new ATOM 0 HG11 VAL A 16 -10.665 -1.246 -11.547 1.00 1.00 H new ATOM 0 HG12 VAL A 16 -9.886 -1.784 -13.054 1.00 1.00 H new ATOM 0 HG13 VAL A 16 -10.112 -2.930 -11.712 1.00 1.00 H new ATOM 0 HG21 VAL A 16 -9.330 -0.904 -9.496 1.00 1.00 H new ATOM 0 HG22 VAL A 16 -8.701 -2.568 -9.543 1.00 1.00 H new ATOM 0 HG23 VAL A 16 -7.574 -1.191 -9.501 1.00 1.00 H new ATOM 236 N SER A 17 -8.152 -3.318 -14.080 1.00 1.00 N ATOM 237 CA SER A 17 -8.221 -3.440 -15.526 1.00 1.00 C ATOM 238 C SER A 17 -9.132 -2.354 -16.101 1.00 1.00 C ATOM 239 O SER A 17 -10.193 -2.073 -15.547 1.00 1.00 O ATOM 240 CB SER A 17 -8.722 -4.826 -15.938 1.00 1.00 C ATOM 241 OG SER A 17 -10.058 -5.061 -15.505 1.00 1.00 O ATOM 0 H SER A 17 -8.725 -3.989 -13.568 1.00 1.00 H new ATOM 0 HA SER A 17 -7.216 -3.312 -15.928 1.00 1.00 H new ATOM 0 HB2 SER A 17 -8.670 -4.923 -17.022 1.00 1.00 H new ATOM 0 HB3 SER A 17 -8.066 -5.588 -15.518 1.00 1.00 H new ATOM 0 HG SER A 17 -10.341 -5.955 -15.789 1.00 1.00 H new ATOM 247 N ARG A 18 -8.683 -1.774 -17.204 1.00 1.00 N ATOM 248 CA ARG A 18 -9.445 -0.724 -17.859 1.00 1.00 C ATOM 249 C ARG A 18 -10.925 -1.103 -17.924 1.00 1.00 C ATOM 250 O ARG A 18 -11.796 -0.241 -17.819 1.00 1.00 O ATOM 251 CB ARG A 18 -8.927 -0.471 -19.278 1.00 1.00 C ATOM 252 CG ARG A 18 -8.177 -1.693 -19.812 1.00 1.00 C ATOM 253 CD ARG A 18 -8.326 -1.807 -21.330 1.00 1.00 C ATOM 254 NE ARG A 18 -7.180 -1.155 -22.003 1.00 1.00 N ATOM 255 CZ ARG A 18 -6.673 -1.553 -23.178 1.00 1.00 C ATOM 256 NH1 ARG A 18 -7.208 -2.603 -23.816 1.00 1.00 N ATOM 257 NH2 ARG A 18 -5.631 -0.905 -23.712 1.00 1.00 N ATOM 0 H ARG A 18 -7.802 -2.011 -17.661 1.00 1.00 H new ATOM 0 HA ARG A 18 -9.326 0.187 -17.273 1.00 1.00 H new ATOM 0 HB2 ARG A 18 -9.762 -0.235 -19.938 1.00 1.00 H new ATOM 0 HB3 ARG A 18 -8.266 0.395 -19.279 1.00 1.00 H new ATOM 0 HG2 ARG A 18 -7.121 -1.619 -19.551 1.00 1.00 H new ATOM 0 HG3 ARG A 18 -8.560 -2.596 -19.336 1.00 1.00 H new ATOM 0 HD2 ARG A 18 -8.380 -2.856 -21.620 1.00 1.00 H new ATOM 0 HD3 ARG A 18 -9.258 -1.340 -21.648 1.00 1.00 H new ATOM 0 HE ARG A 18 -6.749 -0.353 -21.544 1.00 1.00 H new ATOM 0 HH11 ARG A 18 -8.000 -3.098 -23.407 1.00 1.00 H new ATOM 0 HH12 ARG A 18 -6.823 -2.907 -24.710 1.00 1.00 H new ATOM 0 HH21 ARG A 18 -5.222 -0.108 -23.225 1.00 1.00 H new ATOM 0 HH22 ARG A 18 -5.246 -1.208 -24.606 1.00 1.00 H new ATOM 271 N ASN A 19 -11.165 -2.395 -18.096 1.00 1.00 N ATOM 272 CA ASN A 19 -12.526 -2.899 -18.176 1.00 1.00 C ATOM 273 C ASN A 19 -13.389 -2.193 -17.128 1.00 1.00 C ATOM 274 O ASN A 19 -14.431 -1.628 -17.458 1.00 1.00 O ATOM 275 CB ASN A 19 -12.573 -4.402 -17.891 1.00 1.00 C ATOM 276 CG ASN A 19 -11.768 -5.182 -18.932 1.00 1.00 C ATOM 277 OD1 ASN A 19 -11.686 -4.817 -20.093 1.00 1.00 O ATOM 278 ND2 ASN A 19 -11.180 -6.274 -18.453 1.00 1.00 N ATOM 0 H ASN A 19 -10.440 -3.108 -18.182 1.00 1.00 H new ATOM 0 HA ASN A 19 -12.898 -2.710 -19.183 1.00 1.00 H new ATOM 0 HB2 ASN A 19 -12.175 -4.600 -16.896 1.00 1.00 H new ATOM 0 HB3 ASN A 19 -13.608 -4.744 -17.895 1.00 1.00 H new ATOM 0 HD21 ASN A 19 -10.619 -6.863 -19.069 1.00 1.00 H new ATOM 0 HD22 ASN A 19 -11.289 -6.523 -17.470 1.00 1.00 H new ATOM 285 N ALA A 20 -12.924 -2.247 -15.889 1.00 1.00 N ATOM 286 CA ALA A 20 -13.640 -1.619 -14.793 1.00 1.00 C ATOM 287 C ALA A 20 -13.575 -0.099 -14.950 1.00 1.00 C ATOM 288 O ALA A 20 -14.567 0.595 -14.729 1.00 1.00 O ATOM 289 CB ALA A 20 -13.052 -2.093 -13.462 1.00 1.00 C ATOM 0 H ALA A 20 -12.059 -2.716 -15.620 1.00 1.00 H new ATOM 0 HA ALA A 20 -14.691 -1.907 -14.807 1.00 1.00 H new ATOM 0 HB1 ALA A 20 -13.589 -1.622 -12.639 1.00 1.00 H new ATOM 0 HB2 ALA A 20 -13.149 -3.176 -13.386 1.00 1.00 H new ATOM 0 HB3 ALA A 20 -11.998 -1.819 -13.412 1.00 1.00 H new ATOM 295 N ALA A 21 -12.397 0.374 -15.331 1.00 1.00 N ATOM 296 CA ALA A 21 -12.189 1.800 -15.521 1.00 1.00 C ATOM 297 C ALA A 21 -13.348 2.376 -16.337 1.00 1.00 C ATOM 298 O ALA A 21 -14.116 3.196 -15.839 1.00 1.00 O ATOM 299 CB ALA A 21 -10.833 2.034 -16.189 1.00 1.00 C ATOM 0 H ALA A 21 -11.577 -0.205 -15.513 1.00 1.00 H new ATOM 0 HA ALA A 21 -12.173 2.316 -14.561 1.00 1.00 H new ATOM 0 HB1 ALA A 21 -10.677 3.103 -16.331 1.00 1.00 H new ATOM 0 HB2 ALA A 21 -10.041 1.633 -15.556 1.00 1.00 H new ATOM 0 HB3 ALA A 21 -10.813 1.532 -17.157 1.00 1.00 H new ATOM 305 N GLU A 22 -13.437 1.922 -17.579 1.00 1.00 N ATOM 306 CA GLU A 22 -14.489 2.382 -18.470 1.00 1.00 C ATOM 307 C GLU A 22 -15.864 2.049 -17.884 1.00 1.00 C ATOM 308 O GLU A 22 -16.841 2.746 -18.152 1.00 1.00 O ATOM 309 CB GLU A 22 -14.327 1.779 -19.867 1.00 1.00 C ATOM 310 CG GLU A 22 -13.337 0.615 -19.849 1.00 1.00 C ATOM 311 CD GLU A 22 -13.396 -0.176 -21.159 1.00 1.00 C ATOM 312 OE1 GLU A 22 -13.768 0.443 -22.179 1.00 1.00 O ATOM 313 OE2 GLU A 22 -13.067 -1.382 -21.109 1.00 1.00 O ATOM 0 H GLU A 22 -12.798 1.241 -17.989 1.00 1.00 H new ATOM 0 HA GLU A 22 -14.409 3.465 -18.567 1.00 1.00 H new ATOM 0 HB2 GLU A 22 -15.294 1.433 -20.232 1.00 1.00 H new ATOM 0 HB3 GLU A 22 -13.980 2.546 -20.560 1.00 1.00 H new ATOM 0 HG2 GLU A 22 -12.327 0.994 -19.694 1.00 1.00 H new ATOM 0 HG3 GLU A 22 -13.561 -0.045 -19.011 1.00 1.00 H new ATOM 320 N TYR A 23 -15.894 0.984 -17.098 1.00 1.00 N ATOM 321 CA TYR A 23 -17.132 0.549 -16.473 1.00 1.00 C ATOM 322 C TYR A 23 -17.537 1.500 -15.344 1.00 1.00 C ATOM 323 O TYR A 23 -18.520 2.229 -15.465 1.00 1.00 O ATOM 324 CB TYR A 23 -16.845 -0.832 -15.882 1.00 1.00 C ATOM 325 CG TYR A 23 -18.083 -1.547 -15.339 1.00 1.00 C ATOM 326 CD1 TYR A 23 -18.707 -1.079 -14.200 1.00 1.00 C ATOM 327 CD2 TYR A 23 -18.578 -2.660 -15.988 1.00 1.00 C ATOM 328 CE1 TYR A 23 -19.873 -1.751 -13.690 1.00 1.00 C ATOM 329 CE2 TYR A 23 -19.744 -3.332 -15.477 1.00 1.00 C ATOM 330 CZ TYR A 23 -20.333 -2.845 -14.353 1.00 1.00 C ATOM 331 OH TYR A 23 -21.436 -3.479 -13.871 1.00 1.00 O ATOM 0 H TYR A 23 -15.081 0.409 -16.879 1.00 1.00 H new ATOM 0 HA TYR A 23 -17.944 0.531 -17.200 1.00 1.00 H new ATOM 0 HB2 TYR A 23 -16.385 -1.455 -16.649 1.00 1.00 H new ATOM 0 HB3 TYR A 23 -16.117 -0.727 -15.078 1.00 1.00 H new ATOM 0 HD1 TYR A 23 -18.320 -0.208 -13.691 1.00 1.00 H new ATOM 0 HD2 TYR A 23 -18.091 -3.027 -16.879 1.00 1.00 H new ATOM 0 HE1 TYR A 23 -20.371 -1.394 -12.801 1.00 1.00 H new ATOM 0 HE2 TYR A 23 -20.142 -4.204 -15.976 1.00 1.00 H new ATOM 0 HH TYR A 23 -21.651 -4.243 -14.446 1.00 1.00 H new ATOM 341 N LEU A 24 -16.761 1.459 -14.271 1.00 1.00 N ATOM 342 CA LEU A 24 -17.027 2.306 -13.122 1.00 1.00 C ATOM 343 C LEU A 24 -16.962 3.773 -13.549 1.00 1.00 C ATOM 344 O LEU A 24 -17.430 4.655 -12.831 1.00 1.00 O ATOM 345 CB LEU A 24 -16.082 1.960 -11.969 1.00 1.00 C ATOM 346 CG LEU A 24 -14.601 2.256 -12.205 1.00 1.00 C ATOM 347 CD1 LEU A 24 -14.213 3.614 -11.618 1.00 1.00 C ATOM 348 CD2 LEU A 24 -13.722 1.126 -11.662 1.00 1.00 C ATOM 0 H LEU A 24 -15.947 0.852 -14.174 1.00 1.00 H new ATOM 0 HA LEU A 24 -18.033 2.127 -12.743 1.00 1.00 H new ATOM 0 HB2 LEU A 24 -16.405 2.508 -11.084 1.00 1.00 H new ATOM 0 HB3 LEU A 24 -16.189 0.899 -11.744 1.00 1.00 H new ATOM 0 HG LEU A 24 -14.431 2.309 -13.280 1.00 1.00 H new ATOM 0 HD11 LEU A 24 -13.154 3.800 -11.800 1.00 1.00 H new ATOM 0 HD12 LEU A 24 -14.805 4.397 -12.091 1.00 1.00 H new ATOM 0 HD13 LEU A 24 -14.402 3.614 -10.545 1.00 1.00 H new ATOM 0 HD21 LEU A 24 -12.673 1.362 -11.843 1.00 1.00 H new ATOM 0 HD22 LEU A 24 -13.890 1.017 -10.591 1.00 1.00 H new ATOM 0 HD23 LEU A 24 -13.976 0.193 -12.166 1.00 1.00 H new ATOM 360 N LEU A 25 -16.377 3.990 -14.719 1.00 1.00 N ATOM 361 CA LEU A 25 -16.245 5.336 -15.250 1.00 1.00 C ATOM 362 C LEU A 25 -17.611 6.025 -15.230 1.00 1.00 C ATOM 363 O LEU A 25 -18.645 5.362 -15.306 1.00 1.00 O ATOM 364 CB LEU A 25 -15.593 5.305 -16.634 1.00 1.00 C ATOM 365 CG LEU A 25 -15.881 6.502 -17.541 1.00 1.00 C ATOM 366 CD1 LEU A 25 -14.974 7.684 -17.194 1.00 1.00 C ATOM 367 CD2 LEU A 25 -15.777 6.111 -19.016 1.00 1.00 C ATOM 0 H LEU A 25 -15.990 3.257 -15.313 1.00 1.00 H new ATOM 0 HA LEU A 25 -15.579 5.928 -14.622 1.00 1.00 H new ATOM 0 HB2 LEU A 25 -14.514 5.226 -16.503 1.00 1.00 H new ATOM 0 HB3 LEU A 25 -15.919 4.400 -17.147 1.00 1.00 H new ATOM 0 HG LEU A 25 -16.908 6.823 -17.366 1.00 1.00 H new ATOM 0 HD11 LEU A 25 -15.200 8.522 -17.854 1.00 1.00 H new ATOM 0 HD12 LEU A 25 -15.144 7.981 -16.159 1.00 1.00 H new ATOM 0 HD13 LEU A 25 -13.932 7.392 -17.321 1.00 1.00 H new ATOM 0 HD21 LEU A 25 -15.987 6.981 -19.639 1.00 1.00 H new ATOM 0 HD22 LEU A 25 -14.771 5.748 -19.226 1.00 1.00 H new ATOM 0 HD23 LEU A 25 -16.499 5.325 -19.236 1.00 1.00 H new ATOM 379 N SER A 26 -17.571 7.346 -15.129 1.00 1.00 N ATOM 380 CA SER A 26 -18.793 8.131 -15.098 1.00 1.00 C ATOM 381 C SER A 26 -19.782 7.600 -16.137 1.00 1.00 C ATOM 382 O SER A 26 -20.546 6.676 -15.858 1.00 1.00 O ATOM 383 CB SER A 26 -18.503 9.611 -15.349 1.00 1.00 C ATOM 384 OG SER A 26 -17.716 9.809 -16.522 1.00 1.00 O ATOM 0 H SER A 26 -16.712 7.892 -15.068 1.00 1.00 H new ATOM 0 HA SER A 26 -19.234 8.039 -14.105 1.00 1.00 H new ATOM 0 HB2 SER A 26 -19.443 10.153 -15.447 1.00 1.00 H new ATOM 0 HB3 SER A 26 -17.982 10.030 -14.488 1.00 1.00 H new ATOM 0 HG SER A 26 -16.845 10.183 -16.272 1.00 1.00 H new ATOM 390 N SER A 27 -19.738 8.206 -17.314 1.00 1.00 N ATOM 391 CA SER A 27 -20.620 7.806 -18.397 1.00 1.00 C ATOM 392 C SER A 27 -20.422 8.728 -19.602 1.00 1.00 C ATOM 393 O SER A 27 -20.154 8.261 -20.708 1.00 1.00 O ATOM 394 CB SER A 27 -22.084 7.824 -17.950 1.00 1.00 C ATOM 395 OG SER A 27 -22.416 9.026 -17.258 1.00 1.00 O ATOM 0 H SER A 27 -19.104 8.972 -17.542 1.00 1.00 H new ATOM 0 HA SER A 27 -20.368 6.785 -18.684 1.00 1.00 H new ATOM 0 HB2 SER A 27 -22.730 7.717 -18.821 1.00 1.00 H new ATOM 0 HB3 SER A 27 -22.276 6.968 -17.303 1.00 1.00 H new ATOM 0 HG SER A 27 -23.358 9.000 -16.991 1.00 1.00 H new ATOM 401 N GLY A 28 -20.562 10.022 -19.346 1.00 1.00 N ATOM 402 CA GLY A 28 -20.402 11.013 -20.395 1.00 1.00 C ATOM 403 C GLY A 28 -20.115 12.395 -19.805 1.00 1.00 C ATOM 404 O GLY A 28 -20.868 13.342 -20.036 1.00 1.00 O ATOM 0 H GLY A 28 -20.784 10.405 -18.427 1.00 1.00 H new ATOM 0 HA2 GLY A 28 -19.587 10.719 -21.056 1.00 1.00 H new ATOM 0 HA3 GLY A 28 -21.306 11.054 -21.003 1.00 1.00 H new ATOM 408 N ILE A 29 -19.024 12.468 -19.057 1.00 1.00 N ATOM 409 CA ILE A 29 -18.629 13.718 -18.432 1.00 1.00 C ATOM 410 C ILE A 29 -17.848 14.563 -19.440 1.00 1.00 C ATOM 411 O ILE A 29 -17.413 14.057 -20.474 1.00 1.00 O ATOM 412 CB ILE A 29 -17.864 13.450 -17.134 1.00 1.00 C ATOM 413 CG1 ILE A 29 -18.584 12.404 -16.279 1.00 1.00 C ATOM 414 CG2 ILE A 29 -17.618 14.749 -16.363 1.00 1.00 C ATOM 415 CD1 ILE A 29 -19.688 13.049 -15.438 1.00 1.00 C ATOM 0 H ILE A 29 -18.402 11.682 -18.870 1.00 1.00 H new ATOM 0 HA ILE A 29 -19.509 14.294 -18.145 1.00 1.00 H new ATOM 0 HB ILE A 29 -16.888 13.039 -17.392 1.00 1.00 H new ATOM 0 HG12 ILE A 29 -19.014 11.636 -16.923 1.00 1.00 H new ATOM 0 HG13 ILE A 29 -17.867 11.907 -15.625 1.00 1.00 H new ATOM 0 HG21 ILE A 29 -17.073 14.530 -15.445 1.00 1.00 H new ATOM 0 HG22 ILE A 29 -17.032 15.432 -16.978 1.00 1.00 H new ATOM 0 HG23 ILE A 29 -18.573 15.212 -16.116 1.00 1.00 H new ATOM 0 HD11 ILE A 29 -20.184 12.284 -14.840 1.00 1.00 H new ATOM 0 HD12 ILE A 29 -19.252 13.799 -14.778 1.00 1.00 H new ATOM 0 HD13 ILE A 29 -20.416 13.524 -16.096 1.00 1.00 H new ATOM 427 N ASN A 30 -17.695 15.836 -19.105 1.00 1.00 N ATOM 428 CA ASN A 30 -16.976 16.756 -19.970 1.00 1.00 C ATOM 429 C ASN A 30 -15.472 16.511 -19.829 1.00 1.00 C ATOM 430 O ASN A 30 -14.666 17.198 -20.455 1.00 1.00 O ATOM 431 CB ASN A 30 -17.255 18.209 -19.582 1.00 1.00 C ATOM 432 CG ASN A 30 -16.881 19.162 -20.719 1.00 1.00 C ATOM 433 OD1 ASN A 30 -17.924 19.704 -21.337 1.00 1.00 O flip ATOM 434 ND2 ASN A 30 -15.718 19.389 -21.015 1.00 1.00 N flip ATOM 0 H ASN A 30 -18.057 16.252 -18.247 1.00 1.00 H new ATOM 0 HA ASN A 30 -17.309 16.585 -20.994 1.00 1.00 H new ATOM 0 HB2 ASN A 30 -18.310 18.327 -19.336 1.00 1.00 H new ATOM 0 HB3 ASN A 30 -16.688 18.465 -18.687 1.00 1.00 H new ATOM 0 HD21 ASN A 30 -14.963 18.938 -20.498 1.00 1.00 H new ATOM 0 HD22 ASN A 30 -15.502 20.029 -21.779 1.00 1.00 H new ATOM 441 N GLY A 31 -15.139 15.529 -19.004 1.00 1.00 N ATOM 442 CA GLY A 31 -13.748 15.183 -18.773 1.00 1.00 C ATOM 443 C GLY A 31 -13.582 14.422 -17.457 1.00 1.00 C ATOM 444 O GLY A 31 -13.604 15.019 -16.382 1.00 1.00 O ATOM 0 H GLY A 31 -15.810 14.962 -18.487 1.00 1.00 H new ATOM 0 HA2 GLY A 31 -13.380 14.574 -19.598 1.00 1.00 H new ATOM 0 HA3 GLY A 31 -13.143 16.090 -18.751 1.00 1.00 H new ATOM 448 N SER A 32 -13.421 13.112 -17.584 1.00 1.00 N ATOM 449 CA SER A 32 -13.252 12.262 -16.418 1.00 1.00 C ATOM 450 C SER A 32 -12.212 11.177 -16.707 1.00 1.00 C ATOM 451 O SER A 32 -12.287 10.500 -17.731 1.00 1.00 O ATOM 452 CB SER A 32 -14.581 11.628 -16.001 1.00 1.00 C ATOM 453 OG SER A 32 -15.134 12.254 -14.847 1.00 1.00 O ATOM 0 H SER A 32 -13.404 12.619 -18.477 1.00 1.00 H new ATOM 0 HA SER A 32 -12.901 12.880 -15.592 1.00 1.00 H new ATOM 0 HB2 SER A 32 -15.290 11.698 -16.826 1.00 1.00 H new ATOM 0 HB3 SER A 32 -14.429 10.567 -15.800 1.00 1.00 H new ATOM 0 HG SER A 32 -15.007 11.674 -14.067 1.00 1.00 H new ATOM 459 N PHE A 33 -11.269 11.047 -15.787 1.00 1.00 N ATOM 460 CA PHE A 33 -10.217 10.055 -15.931 1.00 1.00 C ATOM 461 C PHE A 33 -10.038 9.254 -14.639 1.00 1.00 C ATOM 462 O PHE A 33 -10.573 9.624 -13.596 1.00 1.00 O ATOM 463 CB PHE A 33 -8.923 10.817 -16.227 1.00 1.00 C ATOM 464 CG PHE A 33 -8.129 11.206 -14.979 1.00 1.00 C ATOM 465 CD1 PHE A 33 -8.769 11.751 -13.909 1.00 1.00 C ATOM 466 CD2 PHE A 33 -6.784 11.005 -14.937 1.00 1.00 C ATOM 467 CE1 PHE A 33 -8.032 12.112 -12.751 1.00 1.00 C ATOM 468 CE2 PHE A 33 -6.048 11.366 -13.778 1.00 1.00 C ATOM 469 CZ PHE A 33 -6.687 11.912 -12.709 1.00 1.00 C ATOM 0 H PHE A 33 -11.211 11.611 -14.939 1.00 1.00 H new ATOM 0 HA PHE A 33 -10.470 9.356 -16.728 1.00 1.00 H new ATOM 0 HB2 PHE A 33 -8.292 10.204 -16.870 1.00 1.00 H new ATOM 0 HB3 PHE A 33 -9.166 11.720 -16.787 1.00 1.00 H new ATOM 0 HD1 PHE A 33 -9.837 11.909 -13.941 1.00 1.00 H new ATOM 0 HD2 PHE A 33 -6.276 10.571 -15.786 1.00 1.00 H new ATOM 0 HE1 PHE A 33 -8.540 12.546 -11.902 1.00 1.00 H new ATOM 0 HE2 PHE A 33 -4.980 11.207 -13.745 1.00 1.00 H new ATOM 0 HZ PHE A 33 -6.127 12.187 -11.827 1.00 1.00 H new ATOM 479 N LEU A 34 -9.283 8.171 -14.752 1.00 1.00 N ATOM 480 CA LEU A 34 -9.028 7.314 -13.607 1.00 1.00 C ATOM 481 C LEU A 34 -7.657 6.654 -13.764 1.00 1.00 C ATOM 482 O LEU A 34 -7.471 5.799 -14.630 1.00 1.00 O ATOM 483 CB LEU A 34 -10.172 6.315 -13.418 1.00 1.00 C ATOM 484 CG LEU A 34 -11.300 6.759 -12.484 1.00 1.00 C ATOM 485 CD1 LEU A 34 -12.668 6.522 -13.126 1.00 1.00 C ATOM 486 CD2 LEU A 34 -11.182 6.076 -11.119 1.00 1.00 C ATOM 0 H LEU A 34 -8.840 7.868 -15.619 1.00 1.00 H new ATOM 0 HA LEU A 34 -8.996 7.904 -12.691 1.00 1.00 H new ATOM 0 HB2 LEU A 34 -10.601 6.095 -14.395 1.00 1.00 H new ATOM 0 HB3 LEU A 34 -9.755 5.383 -13.036 1.00 1.00 H new ATOM 0 HG LEU A 34 -11.204 7.832 -12.317 1.00 1.00 H new ATOM 0 HD11 LEU A 34 -13.452 6.846 -12.442 1.00 1.00 H new ATOM 0 HD12 LEU A 34 -12.738 7.090 -14.053 1.00 1.00 H new ATOM 0 HD13 LEU A 34 -12.790 5.460 -13.341 1.00 1.00 H new ATOM 0 HD21 LEU A 34 -11.995 6.409 -10.474 1.00 1.00 H new ATOM 0 HD22 LEU A 34 -11.239 4.995 -11.247 1.00 1.00 H new ATOM 0 HD23 LEU A 34 -10.227 6.337 -10.663 1.00 1.00 H new ATOM 498 N VAL A 35 -6.731 7.075 -12.916 1.00 1.00 N ATOM 499 CA VAL A 35 -5.382 6.536 -12.950 1.00 1.00 C ATOM 500 C VAL A 35 -5.401 5.095 -12.437 1.00 1.00 C ATOM 501 O VAL A 35 -6.096 4.785 -11.471 1.00 1.00 O ATOM 502 CB VAL A 35 -4.436 7.441 -12.159 1.00 1.00 C ATOM 503 CG1 VAL A 35 -3.064 6.785 -11.989 1.00 1.00 C ATOM 504 CG2 VAL A 35 -4.309 8.814 -12.821 1.00 1.00 C ATOM 0 H VAL A 35 -6.888 7.784 -12.200 1.00 1.00 H new ATOM 0 HA VAL A 35 -5.006 6.512 -13.973 1.00 1.00 H new ATOM 0 HB VAL A 35 -4.863 7.586 -11.167 1.00 1.00 H new ATOM 0 HG11 VAL A 35 -2.411 7.449 -11.423 1.00 1.00 H new ATOM 0 HG12 VAL A 35 -3.175 5.842 -11.453 1.00 1.00 H new ATOM 0 HG13 VAL A 35 -2.627 6.595 -12.970 1.00 1.00 H new ATOM 0 HG21 VAL A 35 -3.631 9.438 -12.238 1.00 1.00 H new ATOM 0 HG22 VAL A 35 -3.916 8.696 -13.831 1.00 1.00 H new ATOM 0 HG23 VAL A 35 -5.289 9.288 -12.866 1.00 1.00 H new ATOM 514 N ARG A 36 -4.627 4.251 -13.105 1.00 1.00 N ATOM 515 CA ARG A 36 -4.546 2.851 -12.727 1.00 1.00 C ATOM 516 C ARG A 36 -3.084 2.430 -12.565 1.00 1.00 C ATOM 517 O ARG A 36 -2.178 3.244 -12.728 1.00 1.00 O ATOM 518 CB ARG A 36 -5.213 1.959 -13.776 1.00 1.00 C ATOM 519 CG ARG A 36 -6.586 1.481 -13.297 1.00 1.00 C ATOM 520 CD ARG A 36 -7.708 2.231 -14.018 1.00 1.00 C ATOM 521 NE ARG A 36 -9.010 1.923 -13.385 1.00 1.00 N ATOM 522 CZ ARG A 36 -9.534 2.617 -12.366 1.00 1.00 C ATOM 523 NH1 ARG A 36 -8.870 3.665 -11.857 1.00 1.00 N ATOM 524 NH2 ARG A 36 -10.721 2.264 -11.855 1.00 1.00 N ATOM 0 H ARG A 36 -4.051 4.511 -13.906 1.00 1.00 H new ATOM 0 HA ARG A 36 -5.070 2.732 -11.779 1.00 1.00 H new ATOM 0 HB2 ARG A 36 -5.321 2.509 -14.711 1.00 1.00 H new ATOM 0 HB3 ARG A 36 -4.577 1.099 -13.985 1.00 1.00 H new ATOM 0 HG2 ARG A 36 -6.685 0.410 -13.476 1.00 1.00 H new ATOM 0 HG3 ARG A 36 -6.674 1.634 -12.221 1.00 1.00 H new ATOM 0 HD2 ARG A 36 -7.521 3.304 -13.982 1.00 1.00 H new ATOM 0 HD3 ARG A 36 -7.729 1.947 -15.070 1.00 1.00 H new ATOM 0 HE ARG A 36 -9.542 1.132 -13.748 1.00 1.00 H new ATOM 0 HH11 ARG A 36 -7.966 3.934 -12.246 1.00 1.00 H new ATOM 0 HH12 ARG A 36 -9.269 4.193 -11.081 1.00 1.00 H new ATOM 0 HH21 ARG A 36 -11.226 1.467 -12.242 1.00 1.00 H new ATOM 0 HH22 ARG A 36 -11.120 2.793 -11.079 1.00 1.00 H new ATOM 538 N GLU A 37 -2.901 1.158 -12.242 1.00 1.00 N ATOM 539 CA GLU A 37 -1.564 0.619 -12.053 1.00 1.00 C ATOM 540 C GLU A 37 -1.367 -0.624 -12.924 1.00 1.00 C ATOM 541 O GLU A 37 -2.282 -1.432 -13.077 1.00 1.00 O ATOM 542 CB GLU A 37 -1.304 0.301 -10.580 1.00 1.00 C ATOM 543 CG GLU A 37 -1.321 1.575 -9.733 1.00 1.00 C ATOM 544 CD GLU A 37 -0.209 1.552 -8.683 1.00 1.00 C ATOM 545 OE1 GLU A 37 0.968 1.542 -9.104 1.00 1.00 O ATOM 546 OE2 GLU A 37 -0.561 1.545 -7.485 1.00 1.00 O ATOM 0 H GLU A 37 -3.655 0.485 -12.106 1.00 1.00 H new ATOM 0 HA GLU A 37 -0.841 1.375 -12.360 1.00 1.00 H new ATOM 0 HB2 GLU A 37 -2.061 -0.393 -10.215 1.00 1.00 H new ATOM 0 HB3 GLU A 37 -0.340 -0.196 -10.476 1.00 1.00 H new ATOM 0 HG2 GLU A 37 -1.199 2.446 -10.377 1.00 1.00 H new ATOM 0 HG3 GLU A 37 -2.288 1.676 -9.241 1.00 1.00 H new ATOM 553 N SER A 38 -0.167 -0.736 -13.476 1.00 1.00 N ATOM 554 CA SER A 38 0.163 -1.865 -14.328 1.00 1.00 C ATOM 555 C SER A 38 -0.023 -3.174 -13.557 1.00 1.00 C ATOM 556 O SER A 38 0.558 -3.357 -12.488 1.00 1.00 O ATOM 557 CB SER A 38 1.595 -1.758 -14.854 1.00 1.00 C ATOM 558 OG SER A 38 1.676 -2.055 -16.245 1.00 1.00 O ATOM 0 H SER A 38 0.589 -0.063 -13.349 1.00 1.00 H new ATOM 0 HA SER A 38 -0.511 -1.856 -15.184 1.00 1.00 H new ATOM 0 HB2 SER A 38 1.972 -0.751 -14.676 1.00 1.00 H new ATOM 0 HB3 SER A 38 2.237 -2.442 -14.299 1.00 1.00 H new ATOM 0 HG SER A 38 2.565 -2.411 -16.452 1.00 1.00 H new ATOM 564 N GLU A 39 -0.834 -4.050 -14.129 1.00 1.00 N ATOM 565 CA GLU A 39 -1.105 -5.337 -13.509 1.00 1.00 C ATOM 566 C GLU A 39 -0.037 -6.355 -13.915 1.00 1.00 C ATOM 567 O GLU A 39 -0.361 -7.471 -14.319 1.00 1.00 O ATOM 568 CB GLU A 39 -2.505 -5.837 -13.872 1.00 1.00 C ATOM 569 CG GLU A 39 -3.575 -5.108 -13.057 1.00 1.00 C ATOM 570 CD GLU A 39 -4.675 -4.557 -13.968 1.00 1.00 C ATOM 571 OE1 GLU A 39 -4.328 -4.161 -15.103 1.00 1.00 O ATOM 572 OE2 GLU A 39 -5.839 -4.545 -13.509 1.00 1.00 O ATOM 0 H GLU A 39 -1.313 -3.895 -15.016 1.00 1.00 H new ATOM 0 HA GLU A 39 -1.069 -5.213 -12.427 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -2.686 -5.683 -14.936 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -2.571 -6.909 -13.689 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -4.010 -5.791 -12.327 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -3.118 -4.292 -12.497 1.00 1.00 H new ATOM 579 N SER A 40 1.213 -5.935 -13.793 1.00 1.00 N ATOM 580 CA SER A 40 2.330 -6.797 -14.141 1.00 1.00 C ATOM 581 C SER A 40 3.649 -6.132 -13.739 1.00 1.00 C ATOM 582 O SER A 40 4.576 -6.805 -13.293 1.00 1.00 O ATOM 583 CB SER A 40 2.332 -7.119 -15.636 1.00 1.00 C ATOM 584 OG SER A 40 3.416 -7.971 -15.997 1.00 1.00 O ATOM 0 H SER A 40 1.478 -5.009 -13.458 1.00 1.00 H new ATOM 0 HA SER A 40 2.222 -7.734 -13.595 1.00 1.00 H new ATOM 0 HB2 SER A 40 1.390 -7.597 -15.905 1.00 1.00 H new ATOM 0 HB3 SER A 40 2.394 -6.192 -16.206 1.00 1.00 H new ATOM 0 HG SER A 40 3.381 -8.155 -16.959 1.00 1.00 H new ATOM 590 N SER A 41 3.690 -4.818 -13.912 1.00 1.00 N ATOM 591 CA SER A 41 4.879 -4.056 -13.574 1.00 1.00 C ATOM 592 C SER A 41 4.610 -3.184 -12.346 1.00 1.00 C ATOM 593 O SER A 41 3.994 -2.125 -12.454 1.00 1.00 O ATOM 594 CB SER A 41 5.331 -3.189 -14.751 1.00 1.00 C ATOM 595 OG SER A 41 4.237 -2.788 -15.570 1.00 1.00 O ATOM 0 H SER A 41 2.918 -4.263 -14.282 1.00 1.00 H new ATOM 0 HA SER A 41 5.681 -4.758 -13.345 1.00 1.00 H new ATOM 0 HB2 SER A 41 5.844 -2.305 -14.374 1.00 1.00 H new ATOM 0 HB3 SER A 41 6.051 -3.743 -15.354 1.00 1.00 H new ATOM 0 HG SER A 41 4.577 -2.374 -16.390 1.00 1.00 H new ATOM 601 N PRO A 42 5.096 -3.675 -11.174 1.00 1.00 N ATOM 602 CA PRO A 42 4.915 -2.953 -9.927 1.00 1.00 C ATOM 603 C PRO A 42 5.852 -1.746 -9.851 1.00 1.00 C ATOM 604 O PRO A 42 6.493 -1.516 -8.826 1.00 1.00 O ATOM 605 CB PRO A 42 5.177 -3.979 -8.837 1.00 1.00 C ATOM 606 CG PRO A 42 5.946 -5.107 -9.503 1.00 1.00 C ATOM 607 CD PRO A 42 5.830 -4.926 -11.007 1.00 1.00 C ATOM 0 HA PRO A 42 3.915 -2.531 -9.826 1.00 1.00 H new ATOM 0 HB2 PRO A 42 5.752 -3.543 -8.020 1.00 1.00 H new ATOM 0 HB3 PRO A 42 4.242 -4.342 -8.410 1.00 1.00 H new ATOM 0 HG2 PRO A 42 6.992 -5.089 -9.196 1.00 1.00 H new ATOM 0 HG3 PRO A 42 5.542 -6.074 -9.203 1.00 1.00 H new ATOM 0 HD2 PRO A 42 6.812 -4.875 -11.477 1.00 1.00 H new ATOM 0 HD3 PRO A 42 5.300 -5.760 -11.467 1.00 1.00 H new ATOM 615 N GLY A 43 5.900 -1.004 -10.948 1.00 1.00 N ATOM 616 CA GLY A 43 6.749 0.174 -11.018 1.00 1.00 C ATOM 617 C GLY A 43 6.099 1.265 -11.871 1.00 1.00 C ATOM 618 O GLY A 43 6.181 2.448 -11.541 1.00 1.00 O ATOM 0 H GLY A 43 5.365 -1.195 -11.795 1.00 1.00 H new ATOM 0 HA2 GLY A 43 6.934 0.554 -10.013 1.00 1.00 H new ATOM 0 HA3 GLY A 43 7.717 -0.095 -11.440 1.00 1.00 H new ATOM 622 N GLN A 44 5.471 0.832 -12.953 1.00 1.00 N ATOM 623 CA GLN A 44 4.808 1.758 -13.857 1.00 1.00 C ATOM 624 C GLN A 44 3.294 1.716 -13.642 1.00 1.00 C ATOM 625 O GLN A 44 2.749 0.691 -13.235 1.00 1.00 O ATOM 626 CB GLN A 44 5.164 1.452 -15.313 1.00 1.00 C ATOM 627 CG GLN A 44 5.581 -0.010 -15.481 1.00 1.00 C ATOM 628 CD GLN A 44 7.017 -0.231 -15.001 1.00 1.00 C ATOM 629 OE1 GLN A 44 7.268 -0.616 -13.870 1.00 1.00 O ATOM 630 NE2 GLN A 44 7.941 0.034 -15.918 1.00 1.00 N ATOM 0 H GLN A 44 5.407 -0.149 -13.225 1.00 1.00 H new ATOM 0 HA GLN A 44 5.159 2.766 -13.636 1.00 1.00 H new ATOM 0 HB2 GLN A 44 4.308 1.665 -15.953 1.00 1.00 H new ATOM 0 HB3 GLN A 44 5.975 2.104 -15.638 1.00 1.00 H new ATOM 0 HG2 GLN A 44 4.903 -0.652 -14.918 1.00 1.00 H new ATOM 0 HG3 GLN A 44 5.496 -0.298 -16.529 1.00 1.00 H new ATOM 0 HE21 GLN A 44 7.662 0.353 -16.846 1.00 1.00 H new ATOM 0 HE22 GLN A 44 8.929 -0.081 -15.694 1.00 1.00 H new ATOM 639 N ARG A 45 2.657 2.842 -13.927 1.00 1.00 N ATOM 640 CA ARG A 45 1.217 2.948 -13.771 1.00 1.00 C ATOM 641 C ARG A 45 0.555 3.230 -15.122 1.00 1.00 C ATOM 642 O ARG A 45 1.221 3.224 -16.156 1.00 1.00 O ATOM 643 CB ARG A 45 0.848 4.062 -12.789 1.00 1.00 C ATOM 644 CG ARG A 45 0.947 3.572 -11.343 1.00 1.00 C ATOM 645 CD ARG A 45 2.353 3.793 -10.782 1.00 1.00 C ATOM 646 NE ARG A 45 2.296 3.910 -9.308 1.00 1.00 N ATOM 647 CZ ARG A 45 3.225 4.532 -8.569 1.00 1.00 C ATOM 648 NH1 ARG A 45 4.287 5.097 -9.161 1.00 1.00 N ATOM 649 NH2 ARG A 45 3.092 4.590 -7.237 1.00 1.00 N ATOM 0 H ARG A 45 3.113 3.690 -14.265 1.00 1.00 H new ATOM 0 HA ARG A 45 0.857 1.998 -13.377 1.00 1.00 H new ATOM 0 HB2 ARG A 45 1.512 4.914 -12.934 1.00 1.00 H new ATOM 0 HB3 ARG A 45 -0.165 4.409 -12.991 1.00 1.00 H new ATOM 0 HG2 ARG A 45 0.219 4.099 -10.726 1.00 1.00 H new ATOM 0 HG3 ARG A 45 0.696 2.512 -11.297 1.00 1.00 H new ATOM 0 HD2 ARG A 45 3.001 2.963 -11.065 1.00 1.00 H new ATOM 0 HD3 ARG A 45 2.787 4.697 -11.210 1.00 1.00 H new ATOM 0 HE ARG A 45 1.501 3.492 -8.825 1.00 1.00 H new ATOM 0 HH11 ARG A 45 4.389 5.054 -10.175 1.00 1.00 H new ATOM 0 HH12 ARG A 45 4.993 5.570 -8.597 1.00 1.00 H new ATOM 0 HH21 ARG A 45 2.284 4.161 -6.786 1.00 1.00 H new ATOM 0 HH22 ARG A 45 3.799 5.063 -6.674 1.00 1.00 H new ATOM 663 N SER A 46 -0.746 3.470 -15.069 1.00 1.00 N ATOM 664 CA SER A 46 -1.505 3.754 -16.276 1.00 1.00 C ATOM 665 C SER A 46 -2.401 4.975 -16.056 1.00 1.00 C ATOM 666 O SER A 46 -2.598 5.409 -14.922 1.00 1.00 O ATOM 667 CB SER A 46 -2.347 2.546 -16.693 1.00 1.00 C ATOM 668 OG SER A 46 -2.472 1.592 -15.642 1.00 1.00 O ATOM 0 H SER A 46 -1.295 3.474 -14.209 1.00 1.00 H new ATOM 0 HA SER A 46 -0.801 3.968 -17.080 1.00 1.00 H new ATOM 0 HB2 SER A 46 -3.338 2.883 -16.996 1.00 1.00 H new ATOM 0 HB3 SER A 46 -1.892 2.070 -17.562 1.00 1.00 H new ATOM 0 HG SER A 46 -3.018 0.838 -15.948 1.00 1.00 H new ATOM 674 N ILE A 47 -2.918 5.495 -17.159 1.00 1.00 N ATOM 675 CA ILE A 47 -3.788 6.657 -17.101 1.00 1.00 C ATOM 676 C ILE A 47 -4.982 6.442 -18.034 1.00 1.00 C ATOM 677 O ILE A 47 -4.809 6.233 -19.233 1.00 1.00 O ATOM 678 CB ILE A 47 -2.998 7.933 -17.400 1.00 1.00 C ATOM 679 CG1 ILE A 47 -2.930 8.836 -16.167 1.00 1.00 C ATOM 680 CG2 ILE A 47 -3.573 8.662 -18.615 1.00 1.00 C ATOM 681 CD1 ILE A 47 -1.560 8.742 -15.492 1.00 1.00 C ATOM 0 H ILE A 47 -2.751 5.133 -18.098 1.00 1.00 H new ATOM 0 HA ILE A 47 -4.187 6.784 -16.095 1.00 1.00 H new ATOM 0 HB ILE A 47 -1.975 7.652 -17.650 1.00 1.00 H new ATOM 0 HG12 ILE A 47 -3.126 9.868 -16.457 1.00 1.00 H new ATOM 0 HG13 ILE A 47 -3.708 8.550 -15.459 1.00 1.00 H new ATOM 0 HG21 ILE A 47 -2.993 9.565 -18.805 1.00 1.00 H new ATOM 0 HG22 ILE A 47 -3.525 8.010 -19.487 1.00 1.00 H new ATOM 0 HG23 ILE A 47 -4.611 8.932 -18.420 1.00 1.00 H new ATOM 0 HD11 ILE A 47 -1.539 9.394 -14.619 1.00 1.00 H new ATOM 0 HD12 ILE A 47 -1.377 7.713 -15.182 1.00 1.00 H new ATOM 0 HD13 ILE A 47 -0.786 9.052 -16.194 1.00 1.00 H new ATOM 693 N SER A 48 -6.168 6.500 -17.446 1.00 1.00 N ATOM 694 CA SER A 48 -7.392 6.315 -18.207 1.00 1.00 C ATOM 695 C SER A 48 -8.252 7.577 -18.133 1.00 1.00 C ATOM 696 O SER A 48 -8.503 8.099 -17.048 1.00 1.00 O ATOM 697 CB SER A 48 -8.180 5.105 -17.699 1.00 1.00 C ATOM 698 OG SER A 48 -8.342 4.111 -18.707 1.00 1.00 O ATOM 0 H SER A 48 -6.307 6.673 -16.450 1.00 1.00 H new ATOM 0 HA SER A 48 -7.122 6.128 -19.246 1.00 1.00 H new ATOM 0 HB2 SER A 48 -7.665 4.671 -16.842 1.00 1.00 H new ATOM 0 HB3 SER A 48 -9.160 5.431 -17.351 1.00 1.00 H new ATOM 0 HG SER A 48 -8.396 4.542 -19.586 1.00 1.00 H new ATOM 704 N LEU A 49 -8.678 8.034 -19.301 1.00 1.00 N ATOM 705 CA LEU A 49 -9.504 9.227 -19.383 1.00 1.00 C ATOM 706 C LEU A 49 -10.661 8.976 -20.353 1.00 1.00 C ATOM 707 O LEU A 49 -10.587 8.079 -21.193 1.00 1.00 O ATOM 708 CB LEU A 49 -8.653 10.446 -19.742 1.00 1.00 C ATOM 709 CG LEU A 49 -9.339 11.516 -20.593 1.00 1.00 C ATOM 710 CD1 LEU A 49 -10.171 12.457 -19.723 1.00 1.00 C ATOM 711 CD2 LEU A 49 -8.321 12.274 -21.446 1.00 1.00 C ATOM 0 H LEU A 49 -8.467 7.599 -20.199 1.00 1.00 H new ATOM 0 HA LEU A 49 -9.945 9.452 -18.412 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -8.310 10.910 -18.817 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -7.766 10.101 -20.273 1.00 1.00 H new ATOM 0 HG LEU A 49 -10.026 11.019 -21.278 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -10.648 13.208 -20.353 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -10.936 11.885 -19.197 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -9.524 12.950 -18.998 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -8.835 13.029 -22.041 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -7.592 12.759 -20.797 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -7.810 11.576 -22.109 1.00 1.00 H new ATOM 723 N ARG A 50 -11.701 9.783 -20.206 1.00 1.00 N ATOM 724 CA ARG A 50 -12.870 9.659 -21.059 1.00 1.00 C ATOM 725 C ARG A 50 -13.388 11.044 -21.453 1.00 1.00 C ATOM 726 O ARG A 50 -13.320 11.985 -20.664 1.00 1.00 O ATOM 727 CB ARG A 50 -13.988 8.887 -20.353 1.00 1.00 C ATOM 728 CG ARG A 50 -15.149 8.608 -21.309 1.00 1.00 C ATOM 729 CD ARG A 50 -16.469 9.129 -20.735 1.00 1.00 C ATOM 730 NE ARG A 50 -17.414 8.006 -20.541 1.00 1.00 N ATOM 731 CZ ARG A 50 -17.923 7.273 -21.540 1.00 1.00 C ATOM 732 NH1 ARG A 50 -17.582 7.537 -22.808 1.00 1.00 N ATOM 733 NH2 ARG A 50 -18.774 6.273 -21.270 1.00 1.00 N ATOM 0 H ARG A 50 -11.758 10.525 -19.509 1.00 1.00 H new ATOM 0 HA ARG A 50 -12.572 9.110 -21.952 1.00 1.00 H new ATOM 0 HB2 ARG A 50 -13.597 7.946 -19.966 1.00 1.00 H new ATOM 0 HB3 ARG A 50 -14.346 9.460 -19.497 1.00 1.00 H new ATOM 0 HG2 ARG A 50 -14.954 9.082 -22.271 1.00 1.00 H new ATOM 0 HG3 ARG A 50 -15.225 7.536 -21.491 1.00 1.00 H new ATOM 0 HD2 ARG A 50 -16.289 9.632 -19.785 1.00 1.00 H new ATOM 0 HD3 ARG A 50 -16.902 9.868 -21.409 1.00 1.00 H new ATOM 0 HE ARG A 50 -17.695 7.776 -19.588 1.00 1.00 H new ATOM 0 HH11 ARG A 50 -16.934 8.297 -23.014 1.00 1.00 H new ATOM 0 HH12 ARG A 50 -17.970 6.978 -23.568 1.00 1.00 H new ATOM 0 HH21 ARG A 50 -19.033 6.071 -20.304 1.00 1.00 H new ATOM 0 HH22 ARG A 50 -19.162 5.714 -22.030 1.00 1.00 H new ATOM 747 N TYR A 51 -13.894 11.126 -22.674 1.00 1.00 N ATOM 748 CA TYR A 51 -14.424 12.379 -23.183 1.00 1.00 C ATOM 749 C TYR A 51 -15.902 12.240 -23.557 1.00 1.00 C ATOM 750 O TYR A 51 -16.771 12.260 -22.687 1.00 1.00 O ATOM 751 CB TYR A 51 -13.618 12.697 -24.444 1.00 1.00 C ATOM 752 CG TYR A 51 -13.641 14.174 -24.842 1.00 1.00 C ATOM 753 CD1 TYR A 51 -14.846 14.825 -25.013 1.00 1.00 C ATOM 754 CD2 TYR A 51 -12.456 14.856 -25.031 1.00 1.00 C ATOM 755 CE1 TYR A 51 -14.867 16.215 -25.387 1.00 1.00 C ATOM 756 CE2 TYR A 51 -12.477 16.245 -25.405 1.00 1.00 C ATOM 757 CZ TYR A 51 -13.681 16.857 -25.565 1.00 1.00 C ATOM 758 OH TYR A 51 -13.701 18.170 -25.919 1.00 1.00 O ATOM 0 H TYR A 51 -13.948 10.344 -23.327 1.00 1.00 H new ATOM 0 HA TYR A 51 -14.347 13.162 -22.429 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -12.584 12.389 -24.289 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -14.007 12.103 -25.271 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -15.773 14.291 -24.866 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -11.513 14.347 -24.898 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -15.803 16.736 -25.523 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -11.557 16.790 -25.555 1.00 1.00 H new ATOM 0 HH TYR A 51 -12.782 18.498 -26.010 1.00 1.00 H new ATOM 768 N GLU A 52 -16.140 12.102 -24.853 1.00 1.00 N ATOM 769 CA GLU A 52 -17.498 11.958 -25.352 1.00 1.00 C ATOM 770 C GLU A 52 -18.074 10.603 -24.942 1.00 1.00 C ATOM 771 O GLU A 52 -18.487 10.421 -23.798 1.00 1.00 O ATOM 772 CB GLU A 52 -17.543 12.136 -26.872 1.00 1.00 C ATOM 773 CG GLU A 52 -17.570 13.619 -27.249 1.00 1.00 C ATOM 774 CD GLU A 52 -18.837 14.297 -26.723 1.00 1.00 C ATOM 775 OE1 GLU A 52 -19.848 14.257 -27.459 1.00 1.00 O ATOM 776 OE2 GLU A 52 -18.767 14.838 -25.599 1.00 1.00 O ATOM 0 H GLU A 52 -15.417 12.087 -25.572 1.00 1.00 H new ATOM 0 HA GLU A 52 -18.113 12.740 -24.908 1.00 1.00 H new ATOM 0 HB2 GLU A 52 -16.674 11.658 -27.324 1.00 1.00 H new ATOM 0 HB3 GLU A 52 -18.426 11.639 -27.274 1.00 1.00 H new ATOM 0 HG2 GLU A 52 -16.691 14.117 -26.841 1.00 1.00 H new ATOM 0 HG3 GLU A 52 -17.521 13.723 -28.333 1.00 1.00 H new ATOM 783 N GLY A 53 -18.083 9.685 -25.898 1.00 1.00 N ATOM 784 CA GLY A 53 -18.604 8.351 -25.650 1.00 1.00 C ATOM 785 C GLY A 53 -17.526 7.291 -25.886 1.00 1.00 C ATOM 786 O GLY A 53 -17.806 6.230 -26.443 1.00 1.00 O ATOM 0 H GLY A 53 -17.738 9.839 -26.845 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -18.968 8.283 -24.625 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -19.455 8.161 -26.304 1.00 1.00 H new ATOM 790 N ARG A 54 -16.317 7.614 -25.452 1.00 1.00 N ATOM 791 CA ARG A 54 -15.196 6.703 -25.610 1.00 1.00 C ATOM 792 C ARG A 54 -14.203 6.878 -24.460 1.00 1.00 C ATOM 793 O ARG A 54 -14.036 7.981 -23.942 1.00 1.00 O ATOM 794 CB ARG A 54 -14.474 6.941 -26.939 1.00 1.00 C ATOM 795 CG ARG A 54 -15.356 6.534 -28.122 1.00 1.00 C ATOM 796 CD ARG A 54 -15.424 5.012 -28.257 1.00 1.00 C ATOM 797 NE ARG A 54 -15.247 4.621 -29.674 1.00 1.00 N ATOM 798 CZ ARG A 54 -14.056 4.440 -30.259 1.00 1.00 C ATOM 799 NH1 ARG A 54 -12.929 4.612 -29.554 1.00 1.00 N ATOM 800 NH2 ARG A 54 -13.990 4.086 -31.550 1.00 1.00 N ATOM 0 H ARG A 54 -16.089 8.495 -24.991 1.00 1.00 H new ATOM 0 HA ARG A 54 -15.592 5.687 -25.602 1.00 1.00 H new ATOM 0 HB2 ARG A 54 -14.204 7.993 -27.027 1.00 1.00 H new ATOM 0 HB3 ARG A 54 -13.545 6.371 -26.960 1.00 1.00 H new ATOM 0 HG2 ARG A 54 -16.360 6.936 -27.987 1.00 1.00 H new ATOM 0 HG3 ARG A 54 -14.961 6.967 -29.041 1.00 1.00 H new ATOM 0 HD2 ARG A 54 -14.650 4.549 -27.644 1.00 1.00 H new ATOM 0 HD3 ARG A 54 -16.383 4.648 -27.888 1.00 1.00 H new ATOM 0 HE ARG A 54 -16.084 4.481 -30.240 1.00 1.00 H new ATOM 0 HH11 ARG A 54 -12.978 4.881 -28.571 1.00 1.00 H new ATOM 0 HH12 ARG A 54 -12.022 4.474 -30.000 1.00 1.00 H new ATOM 0 HH21 ARG A 54 -14.847 3.954 -32.087 1.00 1.00 H new ATOM 0 HH22 ARG A 54 -13.083 3.948 -31.995 1.00 1.00 H new ATOM 814 N VAL A 55 -13.570 5.772 -24.092 1.00 1.00 N ATOM 815 CA VAL A 55 -12.598 5.790 -23.013 1.00 1.00 C ATOM 816 C VAL A 55 -11.190 5.666 -23.598 1.00 1.00 C ATOM 817 O VAL A 55 -10.957 4.861 -24.497 1.00 1.00 O ATOM 818 CB VAL A 55 -12.923 4.692 -21.998 1.00 1.00 C ATOM 819 CG1 VAL A 55 -11.884 3.570 -22.053 1.00 1.00 C ATOM 820 CG2 VAL A 55 -13.035 5.267 -20.585 1.00 1.00 C ATOM 0 H VAL A 55 -13.712 4.858 -24.523 1.00 1.00 H new ATOM 0 HA VAL A 55 -12.643 6.736 -22.474 1.00 1.00 H new ATOM 0 HB VAL A 55 -13.891 4.266 -22.263 1.00 1.00 H new ATOM 0 HG11 VAL A 55 -12.138 2.803 -21.322 1.00 1.00 H new ATOM 0 HG12 VAL A 55 -11.874 3.132 -23.051 1.00 1.00 H new ATOM 0 HG13 VAL A 55 -10.898 3.976 -21.825 1.00 1.00 H new ATOM 0 HG21 VAL A 55 -13.267 4.466 -19.883 1.00 1.00 H new ATOM 0 HG22 VAL A 55 -12.090 5.732 -20.305 1.00 1.00 H new ATOM 0 HG23 VAL A 55 -13.829 6.014 -20.558 1.00 1.00 H new ATOM 830 N TYR A 56 -10.288 6.477 -23.063 1.00 1.00 N ATOM 831 CA TYR A 56 -8.909 6.467 -23.522 1.00 1.00 C ATOM 832 C TYR A 56 -7.992 5.808 -22.490 1.00 1.00 C ATOM 833 O TYR A 56 -8.113 6.066 -21.292 1.00 1.00 O ATOM 834 CB TYR A 56 -8.507 7.936 -23.678 1.00 1.00 C ATOM 835 CG TYR A 56 -9.379 8.719 -24.661 1.00 1.00 C ATOM 836 CD1 TYR A 56 -9.798 8.127 -25.835 1.00 1.00 C ATOM 837 CD2 TYR A 56 -9.748 10.018 -24.373 1.00 1.00 C ATOM 838 CE1 TYR A 56 -10.619 8.864 -26.761 1.00 1.00 C ATOM 839 CE2 TYR A 56 -10.569 10.754 -25.299 1.00 1.00 C ATOM 840 CZ TYR A 56 -10.964 10.141 -26.447 1.00 1.00 C ATOM 841 OH TYR A 56 -11.739 10.837 -27.321 1.00 1.00 O ATOM 0 H TYR A 56 -10.485 7.144 -22.317 1.00 1.00 H new ATOM 0 HA TYR A 56 -8.818 5.906 -24.452 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -8.553 8.420 -22.702 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -7.470 7.985 -24.010 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -9.510 7.111 -26.060 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -9.421 10.482 -23.454 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -10.953 8.413 -27.684 1.00 1.00 H new ATOM 0 HE2 TYR A 56 -10.865 11.771 -25.087 1.00 1.00 H new ATOM 0 HH TYR A 56 -11.907 11.735 -26.966 1.00 1.00 H new ATOM 851 N HIS A 57 -7.098 4.968 -22.990 1.00 1.00 N ATOM 852 CA HIS A 57 -6.162 4.269 -22.126 1.00 1.00 C ATOM 853 C HIS A 57 -4.731 4.656 -22.502 1.00 1.00 C ATOM 854 O HIS A 57 -4.208 4.204 -23.520 1.00 1.00 O ATOM 855 CB HIS A 57 -6.402 2.760 -22.176 1.00 1.00 C ATOM 856 CG HIS A 57 -7.845 2.359 -21.991 1.00 1.00 C ATOM 857 ND1 HIS A 57 -8.406 2.131 -20.746 1.00 1.00 N ATOM 858 CD2 HIS A 57 -8.837 2.148 -22.904 1.00 1.00 C ATOM 859 CE1 HIS A 57 -9.677 1.800 -20.914 1.00 1.00 C ATOM 860 NE2 HIS A 57 -9.942 1.810 -22.251 1.00 1.00 N ATOM 0 H HIS A 57 -7.002 4.756 -23.983 1.00 1.00 H new ATOM 0 HA HIS A 57 -6.322 4.569 -21.090 1.00 1.00 H new ATOM 0 HB2 HIS A 57 -6.050 2.379 -23.135 1.00 1.00 H new ATOM 0 HB3 HIS A 57 -5.801 2.282 -21.403 1.00 1.00 H new ATOM 0 HD1 HIS A 57 -7.922 2.205 -19.851 1.00 1.00 H new ATOM 0 HD2 HIS A 57 -8.740 2.240 -23.976 1.00 1.00 H new ATOM 0 HE1 HIS A 57 -10.380 1.564 -20.129 1.00 1.00 H new ATOM 868 N TYR A 58 -4.137 5.488 -21.660 1.00 1.00 N ATOM 869 CA TYR A 58 -2.775 5.942 -21.890 1.00 1.00 C ATOM 870 C TYR A 58 -1.856 5.522 -20.742 1.00 1.00 C ATOM 871 O TYR A 58 -1.700 6.257 -19.767 1.00 1.00 O ATOM 872 CB TYR A 58 -2.842 7.469 -21.943 1.00 1.00 C ATOM 873 CG TYR A 58 -2.224 8.076 -23.204 1.00 1.00 C ATOM 874 CD1 TYR A 58 -2.885 7.976 -24.412 1.00 1.00 C ATOM 875 CD2 TYR A 58 -1.008 8.723 -23.134 1.00 1.00 C ATOM 876 CE1 TYR A 58 -2.304 8.547 -25.598 1.00 1.00 C ATOM 877 CE2 TYR A 58 -0.427 9.295 -24.321 1.00 1.00 C ATOM 878 CZ TYR A 58 -1.104 9.179 -25.495 1.00 1.00 C ATOM 879 OH TYR A 58 -0.556 9.719 -26.617 1.00 1.00 O ATOM 0 H TYR A 58 -4.574 5.860 -20.817 1.00 1.00 H new ATOM 0 HA TYR A 58 -2.376 5.510 -22.808 1.00 1.00 H new ATOM 0 HB2 TYR A 58 -3.885 7.779 -21.877 1.00 1.00 H new ATOM 0 HB3 TYR A 58 -2.332 7.875 -21.069 1.00 1.00 H new ATOM 0 HD1 TYR A 58 -3.837 7.470 -24.467 1.00 1.00 H new ATOM 0 HD2 TYR A 58 -0.491 8.801 -22.189 1.00 1.00 H new ATOM 0 HE1 TYR A 58 -2.810 8.475 -26.550 1.00 1.00 H new ATOM 0 HE2 TYR A 58 0.524 9.804 -24.280 1.00 1.00 H new ATOM 0 HH TYR A 58 0.301 10.139 -26.393 1.00 1.00 H new ATOM 889 N ARG A 59 -1.272 4.343 -20.893 1.00 1.00 N ATOM 890 CA ARG A 59 -0.372 3.817 -19.881 1.00 1.00 C ATOM 891 C ARG A 59 0.782 4.791 -19.638 1.00 1.00 C ATOM 892 O ARG A 59 1.054 5.655 -20.471 1.00 1.00 O ATOM 893 CB ARG A 59 0.196 2.459 -20.300 1.00 1.00 C ATOM 894 CG ARG A 59 0.946 2.565 -21.629 1.00 1.00 C ATOM 895 CD ARG A 59 1.180 1.181 -22.238 1.00 1.00 C ATOM 896 NE ARG A 59 0.735 1.170 -23.650 1.00 1.00 N ATOM 897 CZ ARG A 59 -0.548 1.174 -24.034 1.00 1.00 C ATOM 898 NH1 ARG A 59 -1.522 1.191 -23.114 1.00 1.00 N ATOM 899 NH2 ARG A 59 -0.859 1.161 -25.337 1.00 1.00 N ATOM 0 H ARG A 59 -1.405 3.736 -21.702 1.00 1.00 H new ATOM 0 HA ARG A 59 -0.945 3.691 -18.962 1.00 1.00 H new ATOM 0 HB2 ARG A 59 0.869 2.088 -19.527 1.00 1.00 H new ATOM 0 HB3 ARG A 59 -0.614 1.735 -20.392 1.00 1.00 H new ATOM 0 HG2 ARG A 59 0.376 3.181 -22.325 1.00 1.00 H new ATOM 0 HG3 ARG A 59 1.902 3.064 -21.472 1.00 1.00 H new ATOM 0 HD2 ARG A 59 2.237 0.922 -22.179 1.00 1.00 H new ATOM 0 HD3 ARG A 59 0.635 0.427 -21.670 1.00 1.00 H new ATOM 0 HE ARG A 59 1.451 1.159 -24.376 1.00 1.00 H new ATOM 0 HH11 ARG A 59 -1.286 1.201 -22.122 1.00 1.00 H new ATOM 0 HH12 ARG A 59 -2.499 1.194 -23.406 1.00 1.00 H new ATOM 0 HH21 ARG A 59 -0.118 1.148 -26.038 1.00 1.00 H new ATOM 0 HH22 ARG A 59 -1.837 1.164 -25.628 1.00 1.00 H new ATOM 913 N ILE A 60 1.429 4.620 -18.495 1.00 1.00 N ATOM 914 CA ILE A 60 2.547 5.474 -18.132 1.00 1.00 C ATOM 915 C ILE A 60 3.770 5.085 -18.964 1.00 1.00 C ATOM 916 O ILE A 60 3.845 3.971 -19.482 1.00 1.00 O ATOM 917 CB ILE A 60 2.789 5.426 -16.622 1.00 1.00 C ATOM 918 CG1 ILE A 60 1.518 5.785 -15.851 1.00 1.00 C ATOM 919 CG2 ILE A 60 3.970 6.317 -16.229 1.00 1.00 C ATOM 920 CD1 ILE A 60 1.290 7.298 -15.842 1.00 1.00 C ATOM 0 H ILE A 60 1.200 3.902 -17.807 1.00 1.00 H new ATOM 0 HA ILE A 60 2.322 6.515 -18.362 1.00 1.00 H new ATOM 0 HB ILE A 60 3.051 4.404 -16.350 1.00 1.00 H new ATOM 0 HG12 ILE A 60 0.661 5.287 -16.304 1.00 1.00 H new ATOM 0 HG13 ILE A 60 1.594 5.419 -14.827 1.00 1.00 H new ATOM 0 HG21 ILE A 60 4.122 6.266 -15.151 1.00 1.00 H new ATOM 0 HG22 ILE A 60 4.870 5.974 -16.739 1.00 1.00 H new ATOM 0 HG23 ILE A 60 3.760 7.347 -16.517 1.00 1.00 H new ATOM 0 HD11 ILE A 60 0.380 7.525 -15.287 1.00 1.00 H new ATOM 0 HD12 ILE A 60 2.138 7.791 -15.366 1.00 1.00 H new ATOM 0 HD13 ILE A 60 1.190 7.657 -16.866 1.00 1.00 H new ATOM 932 N ASN A 61 4.699 6.024 -19.067 1.00 1.00 N ATOM 933 CA ASN A 61 5.916 5.793 -19.827 1.00 1.00 C ATOM 934 C ASN A 61 7.107 6.376 -19.065 1.00 1.00 C ATOM 935 O ASN A 61 6.961 7.352 -18.330 1.00 1.00 O ATOM 936 CB ASN A 61 5.848 6.479 -21.194 1.00 1.00 C ATOM 937 CG ASN A 61 4.412 6.519 -21.718 1.00 1.00 C ATOM 938 OD1 ASN A 61 3.692 5.533 -21.703 1.00 1.00 O ATOM 939 ND2 ASN A 61 4.038 7.708 -22.181 1.00 1.00 N ATOM 0 H ASN A 61 4.634 6.947 -18.637 1.00 1.00 H new ATOM 0 HA ASN A 61 6.028 4.718 -19.967 1.00 1.00 H new ATOM 0 HB2 ASN A 61 6.238 7.494 -21.115 1.00 1.00 H new ATOM 0 HB3 ASN A 61 6.483 5.948 -21.903 1.00 1.00 H new ATOM 0 HD21 ASN A 61 3.097 7.837 -22.554 1.00 1.00 H new ATOM 0 HD22 ASN A 61 4.692 8.491 -22.163 1.00 1.00 H new ATOM 946 N THR A 62 8.259 5.753 -19.265 1.00 1.00 N ATOM 947 CA THR A 62 9.474 6.198 -18.604 1.00 1.00 C ATOM 948 C THR A 62 10.450 6.787 -19.625 1.00 1.00 C ATOM 949 O THR A 62 10.511 6.332 -20.766 1.00 1.00 O ATOM 950 CB THR A 62 10.050 5.013 -17.826 1.00 1.00 C ATOM 951 OG1 THR A 62 8.963 4.564 -17.022 1.00 1.00 O ATOM 952 CG2 THR A 62 11.114 5.439 -16.813 1.00 1.00 C ATOM 0 H THR A 62 8.377 4.944 -19.875 1.00 1.00 H new ATOM 0 HA THR A 62 9.269 7.001 -17.896 1.00 1.00 H new ATOM 0 HB THR A 62 10.481 4.296 -18.524 1.00 1.00 H new ATOM 0 HG1 THR A 62 9.249 3.795 -16.485 1.00 1.00 H new ATOM 0 HG21 THR A 62 11.490 4.560 -16.289 1.00 1.00 H new ATOM 0 HG22 THR A 62 11.936 5.930 -17.334 1.00 1.00 H new ATOM 0 HG23 THR A 62 10.675 6.131 -16.094 1.00 1.00 H new ATOM 960 N ALA A 63 11.191 7.790 -19.176 1.00 1.00 N ATOM 961 CA ALA A 63 12.161 8.447 -20.036 1.00 1.00 C ATOM 962 C ALA A 63 13.362 7.522 -20.241 1.00 1.00 C ATOM 963 O ALA A 63 13.653 7.114 -21.364 1.00 1.00 O ATOM 964 CB ALA A 63 12.559 9.791 -19.424 1.00 1.00 C ATOM 0 H ALA A 63 11.139 8.163 -18.228 1.00 1.00 H new ATOM 0 HA ALA A 63 11.729 8.650 -21.016 1.00 1.00 H new ATOM 0 HB1 ALA A 63 13.287 10.283 -20.069 1.00 1.00 H new ATOM 0 HB2 ALA A 63 11.676 10.422 -19.326 1.00 1.00 H new ATOM 0 HB3 ALA A 63 12.999 9.627 -18.440 1.00 1.00 H new ATOM 970 N SER A 64 14.029 7.216 -19.137 1.00 1.00 N ATOM 971 CA SER A 64 15.192 6.347 -19.181 1.00 1.00 C ATOM 972 C SER A 64 15.774 6.179 -17.776 1.00 1.00 C ATOM 973 O SER A 64 16.082 5.066 -17.356 1.00 1.00 O ATOM 974 CB SER A 64 16.254 6.897 -20.133 1.00 1.00 C ATOM 975 OG SER A 64 16.670 8.211 -19.770 1.00 1.00 O ATOM 0 H SER A 64 13.785 7.555 -18.206 1.00 1.00 H new ATOM 0 HA SER A 64 14.877 5.373 -19.555 1.00 1.00 H new ATOM 0 HB2 SER A 64 17.117 6.232 -20.136 1.00 1.00 H new ATOM 0 HB3 SER A 64 15.858 6.910 -21.149 1.00 1.00 H new ATOM 0 HG SER A 64 17.350 8.525 -20.402 1.00 1.00 H new ATOM 981 N ASP A 65 15.906 7.303 -17.087 1.00 1.00 N ATOM 982 CA ASP A 65 16.447 7.295 -15.738 1.00 1.00 C ATOM 983 C ASP A 65 15.440 6.633 -14.794 1.00 1.00 C ATOM 984 O ASP A 65 15.790 5.711 -14.058 1.00 1.00 O ATOM 985 CB ASP A 65 16.696 8.719 -15.237 1.00 1.00 C ATOM 986 CG ASP A 65 18.169 9.124 -15.144 1.00 1.00 C ATOM 987 OD1 ASP A 65 18.854 8.569 -14.257 1.00 1.00 O ATOM 988 OD2 ASP A 65 18.577 9.976 -15.962 1.00 1.00 O ATOM 0 H ASP A 65 15.648 8.225 -17.437 1.00 1.00 H new ATOM 0 HA ASP A 65 17.389 6.748 -15.755 1.00 1.00 H new ATOM 0 HB2 ASP A 65 16.184 9.416 -15.901 1.00 1.00 H new ATOM 0 HB3 ASP A 65 16.243 8.826 -14.252 1.00 1.00 H new ATOM 993 N GLY A 66 14.212 7.127 -14.849 1.00 1.00 N ATOM 994 CA GLY A 66 13.154 6.593 -14.008 1.00 1.00 C ATOM 995 C GLY A 66 11.894 7.458 -14.097 1.00 1.00 C ATOM 996 O GLY A 66 10.779 6.947 -14.006 1.00 1.00 O ATOM 0 H GLY A 66 13.926 7.890 -15.462 1.00 1.00 H new ATOM 0 HA2 GLY A 66 12.922 5.573 -14.313 1.00 1.00 H new ATOM 0 HA3 GLY A 66 13.495 6.546 -12.974 1.00 1.00 H new ATOM 1000 N LYS A 67 12.116 8.752 -14.273 1.00 1.00 N ATOM 1001 CA LYS A 67 11.014 9.692 -14.375 1.00 1.00 C ATOM 1002 C LYS A 67 9.996 9.170 -15.391 1.00 1.00 C ATOM 1003 O LYS A 67 10.371 8.649 -16.441 1.00 1.00 O ATOM 1004 CB LYS A 67 11.534 11.097 -14.692 1.00 1.00 C ATOM 1005 CG LYS A 67 12.727 11.452 -13.803 1.00 1.00 C ATOM 1006 CD LYS A 67 13.981 11.707 -14.642 1.00 1.00 C ATOM 1007 CE LYS A 67 14.027 13.155 -15.133 1.00 1.00 C ATOM 1008 NZ LYS A 67 14.961 13.953 -14.307 1.00 1.00 N ATOM 0 H LYS A 67 13.043 9.171 -14.348 1.00 1.00 H new ATOM 0 HA LYS A 67 10.497 9.777 -13.419 1.00 1.00 H new ATOM 0 HB2 LYS A 67 11.828 11.152 -15.740 1.00 1.00 H new ATOM 0 HB3 LYS A 67 10.737 11.826 -14.545 1.00 1.00 H new ATOM 0 HG2 LYS A 67 12.494 12.338 -13.213 1.00 1.00 H new ATOM 0 HG3 LYS A 67 12.915 10.641 -13.100 1.00 1.00 H new ATOM 0 HD2 LYS A 67 14.870 11.492 -14.049 1.00 1.00 H new ATOM 0 HD3 LYS A 67 13.996 11.029 -15.495 1.00 1.00 H new ATOM 0 HE2 LYS A 67 14.341 13.182 -16.176 1.00 1.00 H new ATOM 0 HE3 LYS A 67 13.029 13.592 -15.089 1.00 1.00 H new ATOM 0 HZ1 LYS A 67 14.980 14.933 -14.654 1.00 1.00 H new ATOM 0 HZ2 LYS A 67 14.644 13.942 -13.316 1.00 1.00 H new ATOM 0 HZ3 LYS A 67 15.915 13.545 -14.370 1.00 1.00 H new ATOM 1022 N LEU A 68 8.727 9.328 -15.044 1.00 1.00 N ATOM 1023 CA LEU A 68 7.652 8.879 -15.912 1.00 1.00 C ATOM 1024 C LEU A 68 6.947 10.096 -16.516 1.00 1.00 C ATOM 1025 O LEU A 68 6.321 10.874 -15.800 1.00 1.00 O ATOM 1026 CB LEU A 68 6.712 7.936 -15.159 1.00 1.00 C ATOM 1027 CG LEU A 68 7.377 6.767 -14.431 1.00 1.00 C ATOM 1028 CD1 LEU A 68 7.838 7.182 -13.032 1.00 1.00 C ATOM 1029 CD2 LEU A 68 6.453 5.548 -14.389 1.00 1.00 C ATOM 0 H LEU A 68 8.419 9.761 -14.173 1.00 1.00 H new ATOM 0 HA LEU A 68 8.052 8.297 -16.742 1.00 1.00 H new ATOM 0 HB2 LEU A 68 6.151 8.520 -14.430 1.00 1.00 H new ATOM 0 HB3 LEU A 68 5.989 7.533 -15.868 1.00 1.00 H new ATOM 0 HG LEU A 68 8.266 6.479 -14.992 1.00 1.00 H new ATOM 0 HD11 LEU A 68 8.307 6.332 -12.537 1.00 1.00 H new ATOM 0 HD12 LEU A 68 8.557 7.997 -13.113 1.00 1.00 H new ATOM 0 HD13 LEU A 68 6.979 7.513 -12.449 1.00 1.00 H new ATOM 0 HD21 LEU A 68 6.951 4.732 -13.866 1.00 1.00 H new ATOM 0 HD22 LEU A 68 5.533 5.807 -13.865 1.00 1.00 H new ATOM 0 HD23 LEU A 68 6.216 5.236 -15.406 1.00 1.00 H new ATOM 1041 N TYR A 69 7.075 10.223 -17.829 1.00 1.00 N ATOM 1042 CA TYR A 69 6.459 11.331 -18.538 1.00 1.00 C ATOM 1043 C TYR A 69 5.347 10.838 -19.465 1.00 1.00 C ATOM 1044 O TYR A 69 5.399 9.714 -19.960 1.00 1.00 O ATOM 1045 CB TYR A 69 7.569 11.961 -19.381 1.00 1.00 C ATOM 1046 CG TYR A 69 7.860 11.216 -20.684 1.00 1.00 C ATOM 1047 CD1 TYR A 69 6.931 11.221 -21.705 1.00 1.00 C ATOM 1048 CD2 TYR A 69 9.051 10.537 -20.839 1.00 1.00 C ATOM 1049 CE1 TYR A 69 7.204 10.520 -22.932 1.00 1.00 C ATOM 1050 CE2 TYR A 69 9.325 9.834 -22.067 1.00 1.00 C ATOM 1051 CZ TYR A 69 8.388 9.860 -23.053 1.00 1.00 C ATOM 1052 OH TYR A 69 8.647 9.197 -24.212 1.00 1.00 O ATOM 0 H TYR A 69 7.597 9.576 -18.420 1.00 1.00 H new ATOM 0 HA TYR A 69 6.016 12.037 -17.836 1.00 1.00 H new ATOM 0 HB2 TYR A 69 7.293 12.989 -19.616 1.00 1.00 H new ATOM 0 HB3 TYR A 69 8.482 12.004 -18.787 1.00 1.00 H new ATOM 0 HD1 TYR A 69 5.998 11.752 -21.583 1.00 1.00 H new ATOM 0 HD2 TYR A 69 9.778 10.532 -20.040 1.00 1.00 H new ATOM 0 HE1 TYR A 69 6.486 10.518 -23.738 1.00 1.00 H new ATOM 0 HE2 TYR A 69 10.253 9.299 -22.201 1.00 1.00 H new ATOM 0 HH TYR A 69 9.529 8.773 -24.157 1.00 1.00 H new ATOM 1062 N VAL A 70 4.367 11.706 -19.673 1.00 1.00 N ATOM 1063 CA VAL A 70 3.244 11.372 -20.534 1.00 1.00 C ATOM 1064 C VAL A 70 3.516 11.895 -21.947 1.00 1.00 C ATOM 1065 O VAL A 70 3.123 11.269 -22.930 1.00 1.00 O ATOM 1066 CB VAL A 70 1.946 11.918 -19.935 1.00 1.00 C ATOM 1067 CG1 VAL A 70 0.747 11.582 -20.824 1.00 1.00 C ATOM 1068 CG2 VAL A 70 1.736 11.397 -18.512 1.00 1.00 C ATOM 0 H VAL A 70 4.327 12.638 -19.261 1.00 1.00 H new ATOM 0 HA VAL A 70 3.125 10.291 -20.605 1.00 1.00 H new ATOM 0 HB VAL A 70 2.032 13.003 -19.885 1.00 1.00 H new ATOM 0 HG11 VAL A 70 -0.162 11.982 -20.375 1.00 1.00 H new ATOM 0 HG12 VAL A 70 0.890 12.025 -21.810 1.00 1.00 H new ATOM 0 HG13 VAL A 70 0.658 10.500 -20.921 1.00 1.00 H new ATOM 0 HG21 VAL A 70 0.807 11.801 -18.110 1.00 1.00 H new ATOM 0 HG22 VAL A 70 1.682 10.308 -18.527 1.00 1.00 H new ATOM 0 HG23 VAL A 70 2.569 11.710 -17.883 1.00 1.00 H new ATOM 1078 N SER A 71 4.188 13.036 -22.002 1.00 1.00 N ATOM 1079 CA SER A 71 4.518 13.649 -23.277 1.00 1.00 C ATOM 1080 C SER A 71 5.983 13.383 -23.622 1.00 1.00 C ATOM 1081 O SER A 71 6.281 12.693 -24.596 1.00 1.00 O ATOM 1082 CB SER A 71 4.243 15.154 -23.252 1.00 1.00 C ATOM 1083 OG SER A 71 4.820 15.821 -24.371 1.00 1.00 O ATOM 0 H SER A 71 4.513 13.552 -21.184 1.00 1.00 H new ATOM 0 HA SER A 71 3.885 13.204 -24.044 1.00 1.00 H new ATOM 0 HB2 SER A 71 3.167 15.326 -23.243 1.00 1.00 H new ATOM 0 HB3 SER A 71 4.641 15.580 -22.331 1.00 1.00 H new ATOM 0 HG SER A 71 4.891 16.779 -24.180 1.00 1.00 H new ATOM 1089 N SER A 72 6.862 13.945 -22.804 1.00 1.00 N ATOM 1090 CA SER A 72 8.291 13.777 -23.010 1.00 1.00 C ATOM 1091 C SER A 72 9.061 14.843 -22.228 1.00 1.00 C ATOM 1092 O SER A 72 10.050 14.537 -21.564 1.00 1.00 O ATOM 1093 CB SER A 72 8.645 13.851 -24.497 1.00 1.00 C ATOM 1094 OG SER A 72 7.894 14.853 -25.176 1.00 1.00 O ATOM 0 H SER A 72 6.612 14.517 -21.997 1.00 1.00 H new ATOM 0 HA SER A 72 8.576 12.790 -22.645 1.00 1.00 H new ATOM 0 HB2 SER A 72 9.709 14.060 -24.606 1.00 1.00 H new ATOM 0 HB3 SER A 72 8.461 12.883 -24.962 1.00 1.00 H new ATOM 0 HG SER A 72 8.150 14.869 -26.122 1.00 1.00 H new ATOM 1100 N GLU A 73 8.578 16.072 -22.334 1.00 1.00 N ATOM 1101 CA GLU A 73 9.209 17.185 -21.645 1.00 1.00 C ATOM 1102 C GLU A 73 8.612 17.351 -20.245 1.00 1.00 C ATOM 1103 O GLU A 73 9.060 18.196 -19.471 1.00 1.00 O ATOM 1104 CB GLU A 73 9.077 18.477 -22.453 1.00 1.00 C ATOM 1105 CG GLU A 73 7.886 18.404 -23.413 1.00 1.00 C ATOM 1106 CD GLU A 73 7.605 19.769 -24.043 1.00 1.00 C ATOM 1107 OE1 GLU A 73 7.784 20.774 -23.323 1.00 1.00 O ATOM 1108 OE2 GLU A 73 7.217 19.776 -25.232 1.00 1.00 O ATOM 0 H GLU A 73 7.758 16.322 -22.886 1.00 1.00 H new ATOM 0 HA GLU A 73 10.272 16.966 -21.542 1.00 1.00 H new ATOM 0 HB2 GLU A 73 8.952 19.322 -21.776 1.00 1.00 H new ATOM 0 HB3 GLU A 73 9.993 18.653 -23.017 1.00 1.00 H new ATOM 0 HG2 GLU A 73 8.090 17.673 -24.196 1.00 1.00 H new ATOM 0 HG3 GLU A 73 7.002 18.058 -22.876 1.00 1.00 H new ATOM 1115 N SER A 74 7.612 16.529 -19.963 1.00 1.00 N ATOM 1116 CA SER A 74 6.950 16.573 -18.671 1.00 1.00 C ATOM 1117 C SER A 74 7.040 15.208 -17.989 1.00 1.00 C ATOM 1118 O SER A 74 6.102 14.413 -18.052 1.00 1.00 O ATOM 1119 CB SER A 74 5.486 16.998 -18.816 1.00 1.00 C ATOM 1120 OG SER A 74 5.265 17.751 -20.005 1.00 1.00 O ATOM 0 H SER A 74 7.244 15.829 -20.607 1.00 1.00 H new ATOM 0 HA SER A 74 7.457 17.314 -18.053 1.00 1.00 H new ATOM 0 HB2 SER A 74 4.850 16.113 -18.824 1.00 1.00 H new ATOM 0 HB3 SER A 74 5.193 17.593 -17.951 1.00 1.00 H new ATOM 0 HG SER A 74 4.710 17.231 -20.623 1.00 1.00 H new ATOM 1126 N ARG A 75 8.177 14.974 -17.350 1.00 1.00 N ATOM 1127 CA ARG A 75 8.404 13.717 -16.657 1.00 1.00 C ATOM 1128 C ARG A 75 8.017 13.847 -15.184 1.00 1.00 C ATOM 1129 O ARG A 75 8.181 14.910 -14.585 1.00 1.00 O ATOM 1130 CB ARG A 75 9.869 13.288 -16.757 1.00 1.00 C ATOM 1131 CG ARG A 75 10.614 14.122 -17.801 1.00 1.00 C ATOM 1132 CD ARG A 75 11.801 13.347 -18.377 1.00 1.00 C ATOM 1133 NE ARG A 75 12.650 14.249 -19.187 1.00 1.00 N ATOM 1134 CZ ARG A 75 13.386 15.247 -18.675 1.00 1.00 C ATOM 1135 NH1 ARG A 75 13.380 15.476 -17.356 1.00 1.00 N ATOM 1136 NH2 ARG A 75 14.127 16.016 -19.487 1.00 1.00 N ATOM 0 H ARG A 75 8.952 15.635 -17.298 1.00 1.00 H new ATOM 0 HA ARG A 75 7.783 12.959 -17.134 1.00 1.00 H new ATOM 0 HB2 ARG A 75 10.351 13.399 -15.786 1.00 1.00 H new ATOM 0 HB3 ARG A 75 9.925 12.232 -17.022 1.00 1.00 H new ATOM 0 HG2 ARG A 75 9.932 14.399 -18.605 1.00 1.00 H new ATOM 0 HG3 ARG A 75 10.966 15.049 -17.348 1.00 1.00 H new ATOM 0 HD2 ARG A 75 12.388 12.911 -17.569 1.00 1.00 H new ATOM 0 HD3 ARG A 75 11.443 12.522 -18.992 1.00 1.00 H new ATOM 0 HE ARG A 75 12.677 14.103 -20.196 1.00 1.00 H new ATOM 0 HH11 ARG A 75 12.816 14.891 -16.739 1.00 1.00 H new ATOM 0 HH12 ARG A 75 13.940 16.235 -16.968 1.00 1.00 H new ATOM 0 HH21 ARG A 75 14.130 15.841 -20.492 1.00 1.00 H new ATOM 0 HH22 ARG A 75 14.687 16.775 -19.099 1.00 1.00 H new ATOM 1150 N PHE A 76 7.510 12.751 -14.638 1.00 1.00 N ATOM 1151 CA PHE A 76 7.099 12.730 -13.244 1.00 1.00 C ATOM 1152 C PHE A 76 7.478 11.403 -12.582 1.00 1.00 C ATOM 1153 O PHE A 76 7.278 10.336 -13.160 1.00 1.00 O ATOM 1154 CB PHE A 76 5.576 12.880 -13.225 1.00 1.00 C ATOM 1155 CG PHE A 76 5.070 14.172 -13.866 1.00 1.00 C ATOM 1156 CD1 PHE A 76 5.225 15.358 -13.216 1.00 1.00 C ATOM 1157 CD2 PHE A 76 4.466 14.139 -15.083 1.00 1.00 C ATOM 1158 CE1 PHE A 76 4.754 16.559 -13.810 1.00 1.00 C ATOM 1159 CE2 PHE A 76 3.997 15.339 -15.677 1.00 1.00 C ATOM 1160 CZ PHE A 76 4.150 16.524 -15.029 1.00 1.00 C ATOM 0 H PHE A 76 7.374 11.871 -15.136 1.00 1.00 H new ATOM 0 HA PHE A 76 7.593 13.533 -12.697 1.00 1.00 H new ATOM 0 HB2 PHE A 76 5.131 12.031 -13.744 1.00 1.00 H new ATOM 0 HB3 PHE A 76 5.230 12.839 -12.192 1.00 1.00 H new ATOM 0 HD1 PHE A 76 5.706 15.386 -12.249 1.00 1.00 H new ATOM 0 HD2 PHE A 76 4.343 13.198 -15.599 1.00 1.00 H new ATOM 0 HE1 PHE A 76 4.875 17.500 -13.294 1.00 1.00 H new ATOM 0 HE2 PHE A 76 3.518 15.311 -16.645 1.00 1.00 H new ATOM 0 HZ PHE A 76 3.792 17.437 -15.481 1.00 1.00 H new ATOM 1170 N ASN A 77 8.018 11.514 -11.377 1.00 1.00 N ATOM 1171 CA ASN A 77 8.426 10.337 -10.629 1.00 1.00 C ATOM 1172 C ASN A 77 7.194 9.685 -9.998 1.00 1.00 C ATOM 1173 O ASN A 77 7.073 8.462 -9.987 1.00 1.00 O ATOM 1174 CB ASN A 77 9.394 10.708 -9.503 1.00 1.00 C ATOM 1175 CG ASN A 77 10.778 11.046 -10.059 1.00 1.00 C ATOM 1176 OD1 ASN A 77 11.215 12.186 -10.059 1.00 1.00 O ATOM 1177 ND2 ASN A 77 11.444 9.996 -10.529 1.00 1.00 N ATOM 0 H ASN A 77 8.182 12.401 -10.900 1.00 1.00 H new ATOM 0 HA ASN A 77 8.921 9.654 -11.320 1.00 1.00 H new ATOM 0 HB2 ASN A 77 9.003 11.561 -8.949 1.00 1.00 H new ATOM 0 HB3 ASN A 77 9.473 9.880 -8.799 1.00 1.00 H new ATOM 0 HD21 ASN A 77 12.378 10.118 -10.919 1.00 1.00 H new ATOM 0 HD22 ASN A 77 11.021 9.068 -10.499 1.00 1.00 H new ATOM 1184 N THR A 78 6.312 10.531 -9.490 1.00 1.00 N ATOM 1185 CA THR A 78 5.094 10.054 -8.859 1.00 1.00 C ATOM 1186 C THR A 78 3.871 10.455 -9.687 1.00 1.00 C ATOM 1187 O THR A 78 3.841 11.538 -10.273 1.00 1.00 O ATOM 1188 CB THR A 78 5.060 10.590 -7.427 1.00 1.00 C ATOM 1189 OG1 THR A 78 5.004 12.006 -7.588 1.00 1.00 O ATOM 1190 CG2 THR A 78 6.374 10.353 -6.681 1.00 1.00 C ATOM 0 H THR A 78 6.416 11.546 -9.502 1.00 1.00 H new ATOM 0 HA THR A 78 5.074 8.965 -8.814 1.00 1.00 H new ATOM 0 HB THR A 78 4.243 10.117 -6.882 1.00 1.00 H new ATOM 0 HG1 THR A 78 5.518 12.437 -6.873 1.00 1.00 H new ATOM 0 HG21 THR A 78 6.296 10.753 -5.670 1.00 1.00 H new ATOM 0 HG22 THR A 78 6.578 9.283 -6.634 1.00 1.00 H new ATOM 0 HG23 THR A 78 7.187 10.854 -7.207 1.00 1.00 H new ATOM 1198 N LEU A 79 2.893 9.562 -9.711 1.00 1.00 N ATOM 1199 CA LEU A 79 1.671 9.811 -10.458 1.00 1.00 C ATOM 1200 C LEU A 79 1.123 11.189 -10.087 1.00 1.00 C ATOM 1201 O LEU A 79 0.750 11.969 -10.962 1.00 1.00 O ATOM 1202 CB LEU A 79 0.671 8.673 -10.242 1.00 1.00 C ATOM 1203 CG LEU A 79 -0.305 8.410 -11.391 1.00 1.00 C ATOM 1204 CD1 LEU A 79 -1.065 9.684 -11.766 1.00 1.00 C ATOM 1205 CD2 LEU A 79 0.416 7.798 -12.594 1.00 1.00 C ATOM 0 H LEU A 79 2.921 8.665 -9.226 1.00 1.00 H new ATOM 0 HA LEU A 79 1.875 9.827 -11.529 1.00 1.00 H new ATOM 0 HB2 LEU A 79 1.229 7.757 -10.049 1.00 1.00 H new ATOM 0 HB3 LEU A 79 0.093 8.889 -9.343 1.00 1.00 H new ATOM 0 HG LEU A 79 -1.042 7.682 -11.053 1.00 1.00 H new ATOM 0 HD11 LEU A 79 -1.752 9.470 -12.585 1.00 1.00 H new ATOM 0 HD12 LEU A 79 -1.628 10.039 -10.903 1.00 1.00 H new ATOM 0 HD13 LEU A 79 -0.357 10.452 -12.078 1.00 1.00 H new ATOM 0 HD21 LEU A 79 -0.300 7.621 -13.396 1.00 1.00 H new ATOM 0 HD22 LEU A 79 1.189 8.483 -12.942 1.00 1.00 H new ATOM 0 HD23 LEU A 79 0.874 6.853 -12.302 1.00 1.00 H new ATOM 1217 N ALA A 80 1.091 11.449 -8.788 1.00 1.00 N ATOM 1218 CA ALA A 80 0.593 12.720 -8.291 1.00 1.00 C ATOM 1219 C ALA A 80 1.230 13.858 -9.090 1.00 1.00 C ATOM 1220 O ALA A 80 0.544 14.566 -9.826 1.00 1.00 O ATOM 1221 CB ALA A 80 0.879 12.829 -6.792 1.00 1.00 C ATOM 0 H ALA A 80 1.402 10.801 -8.065 1.00 1.00 H new ATOM 0 HA ALA A 80 -0.487 12.788 -8.423 1.00 1.00 H new ATOM 0 HB1 ALA A 80 0.506 13.783 -6.419 1.00 1.00 H new ATOM 0 HB2 ALA A 80 0.382 12.014 -6.266 1.00 1.00 H new ATOM 0 HB3 ALA A 80 1.954 12.768 -6.621 1.00 1.00 H new ATOM 1227 N GLU A 81 2.536 14.003 -8.919 1.00 1.00 N ATOM 1228 CA GLU A 81 3.272 15.043 -9.614 1.00 1.00 C ATOM 1229 C GLU A 81 2.807 15.143 -11.068 1.00 1.00 C ATOM 1230 O GLU A 81 2.731 16.236 -11.625 1.00 1.00 O ATOM 1231 CB GLU A 81 4.780 14.792 -9.538 1.00 1.00 C ATOM 1232 CG GLU A 81 5.328 15.153 -8.155 1.00 1.00 C ATOM 1233 CD GLU A 81 6.602 14.364 -7.846 1.00 1.00 C ATOM 1234 OE1 GLU A 81 7.503 14.380 -8.712 1.00 1.00 O ATOM 1235 OE2 GLU A 81 6.646 13.764 -6.751 1.00 1.00 O ATOM 0 H GLU A 81 3.103 13.416 -8.308 1.00 1.00 H new ATOM 0 HA GLU A 81 3.069 15.994 -9.122 1.00 1.00 H new ATOM 0 HB2 GLU A 81 4.989 13.744 -9.754 1.00 1.00 H new ATOM 0 HB3 GLU A 81 5.289 15.382 -10.300 1.00 1.00 H new ATOM 0 HG2 GLU A 81 5.538 16.222 -8.111 1.00 1.00 H new ATOM 0 HG3 GLU A 81 4.574 14.945 -7.396 1.00 1.00 H new ATOM 1242 N LEU A 82 2.506 13.985 -11.639 1.00 1.00 N ATOM 1243 CA LEU A 82 2.049 13.928 -13.018 1.00 1.00 C ATOM 1244 C LEU A 82 0.636 14.508 -13.107 1.00 1.00 C ATOM 1245 O LEU A 82 0.338 15.289 -14.009 1.00 1.00 O ATOM 1246 CB LEU A 82 2.164 12.503 -13.561 1.00 1.00 C ATOM 1247 CG LEU A 82 1.322 12.187 -14.799 1.00 1.00 C ATOM 1248 CD1 LEU A 82 1.927 11.028 -15.593 1.00 1.00 C ATOM 1249 CD2 LEU A 82 -0.137 11.920 -14.416 1.00 1.00 C ATOM 0 H LEU A 82 2.570 13.080 -11.172 1.00 1.00 H new ATOM 0 HA LEU A 82 2.686 14.540 -13.656 1.00 1.00 H new ATOM 0 HB2 LEU A 82 3.210 12.309 -13.798 1.00 1.00 H new ATOM 0 HB3 LEU A 82 1.883 11.810 -12.768 1.00 1.00 H new ATOM 0 HG LEU A 82 1.330 13.061 -15.450 1.00 1.00 H new ATOM 0 HD11 LEU A 82 1.309 10.824 -16.467 1.00 1.00 H new ATOM 0 HD12 LEU A 82 2.934 11.294 -15.914 1.00 1.00 H new ATOM 0 HD13 LEU A 82 1.970 10.139 -14.964 1.00 1.00 H new ATOM 0 HD21 LEU A 82 -0.714 11.698 -15.314 1.00 1.00 H new ATOM 0 HD22 LEU A 82 -0.185 11.071 -13.735 1.00 1.00 H new ATOM 0 HD23 LEU A 82 -0.552 12.801 -13.927 1.00 1.00 H new ATOM 1261 N VAL A 83 -0.196 14.104 -12.158 1.00 1.00 N ATOM 1262 CA VAL A 83 -1.571 14.573 -12.118 1.00 1.00 C ATOM 1263 C VAL A 83 -1.583 16.072 -11.810 1.00 1.00 C ATOM 1264 O VAL A 83 -2.349 16.826 -12.409 1.00 1.00 O ATOM 1265 CB VAL A 83 -2.376 13.750 -11.112 1.00 1.00 C ATOM 1266 CG1 VAL A 83 -3.488 14.589 -10.481 1.00 1.00 C ATOM 1267 CG2 VAL A 83 -2.945 12.489 -11.768 1.00 1.00 C ATOM 0 H VAL A 83 0.056 13.457 -11.411 1.00 1.00 H new ATOM 0 HA VAL A 83 -2.051 14.435 -13.087 1.00 1.00 H new ATOM 0 HB VAL A 83 -1.700 13.439 -10.316 1.00 1.00 H new ATOM 0 HG11 VAL A 83 -4.045 13.979 -9.770 1.00 1.00 H new ATOM 0 HG12 VAL A 83 -3.051 15.442 -9.963 1.00 1.00 H new ATOM 0 HG13 VAL A 83 -4.162 14.944 -11.260 1.00 1.00 H new ATOM 0 HG21 VAL A 83 -3.513 11.921 -11.032 1.00 1.00 H new ATOM 0 HG22 VAL A 83 -3.600 12.772 -12.593 1.00 1.00 H new ATOM 0 HG23 VAL A 83 -2.128 11.876 -12.147 1.00 1.00 H new ATOM 1277 N HIS A 84 -0.726 16.459 -10.877 1.00 1.00 N ATOM 1278 CA HIS A 84 -0.630 17.855 -10.481 1.00 1.00 C ATOM 1279 C HIS A 84 -0.492 18.732 -11.727 1.00 1.00 C ATOM 1280 O HIS A 84 -1.253 19.681 -11.910 1.00 1.00 O ATOM 1281 CB HIS A 84 0.511 18.058 -9.484 1.00 1.00 C ATOM 1282 CG HIS A 84 0.070 18.625 -8.155 1.00 1.00 C ATOM 1283 ND1 HIS A 84 -1.201 18.431 -7.642 1.00 1.00 N ATOM 1284 CD2 HIS A 84 0.744 19.380 -7.240 1.00 1.00 C ATOM 1285 CE1 HIS A 84 -1.277 19.046 -6.471 1.00 1.00 C ATOM 1286 NE2 HIS A 84 -0.070 19.633 -6.223 1.00 1.00 N ATOM 0 H HIS A 84 -0.092 15.831 -10.383 1.00 1.00 H new ATOM 0 HA HIS A 84 -1.543 18.156 -9.966 1.00 1.00 H new ATOM 0 HB2 HIS A 84 1.006 17.102 -9.314 1.00 1.00 H new ATOM 0 HB3 HIS A 84 1.251 18.726 -9.925 1.00 1.00 H new ATOM 0 HD2 HIS A 84 1.767 19.715 -7.328 1.00 1.00 H new ATOM 0 HE1 HIS A 84 -2.142 19.077 -5.826 1.00 1.00 H new ATOM 0 HE2 HIS A 84 0.167 20.176 -5.393 1.00 1.00 H new ATOM 1294 N HIS A 85 0.484 18.384 -12.552 1.00 1.00 N ATOM 1295 CA HIS A 85 0.732 19.127 -13.776 1.00 1.00 C ATOM 1296 C HIS A 85 -0.358 18.807 -14.800 1.00 1.00 C ATOM 1297 O HIS A 85 -0.847 19.699 -15.490 1.00 1.00 O ATOM 1298 CB HIS A 85 2.141 18.853 -14.303 1.00 1.00 C ATOM 1299 CG HIS A 85 2.375 19.342 -15.712 1.00 1.00 C ATOM 1300 ND1 HIS A 85 2.471 20.684 -16.034 1.00 1.00 N ATOM 1301 CD2 HIS A 85 2.534 18.654 -16.880 1.00 1.00 C ATOM 1302 CE1 HIS A 85 2.675 20.788 -17.339 1.00 1.00 C ATOM 1303 NE2 HIS A 85 2.715 19.528 -17.862 1.00 1.00 N ATOM 0 H HIS A 85 1.113 17.596 -12.397 1.00 1.00 H new ATOM 0 HA HIS A 85 0.687 20.197 -13.572 1.00 1.00 H new ATOM 0 HB2 HIS A 85 2.865 19.327 -13.640 1.00 1.00 H new ATOM 0 HB3 HIS A 85 2.330 17.780 -14.266 1.00 1.00 H new ATOM 0 HD1 HIS A 85 2.397 21.462 -15.378 1.00 1.00 H new ATOM 0 HD2 HIS A 85 2.516 17.579 -16.987 1.00 1.00 H new ATOM 0 HE1 HIS A 85 2.790 21.709 -17.892 1.00 1.00 H new ATOM 1311 N HIS A 86 -0.705 17.530 -14.869 1.00 1.00 N ATOM 1312 CA HIS A 86 -1.727 17.081 -15.798 1.00 1.00 C ATOM 1313 C HIS A 86 -3.110 17.442 -15.253 1.00 1.00 C ATOM 1314 O HIS A 86 -4.126 16.993 -15.781 1.00 1.00 O ATOM 1315 CB HIS A 86 -1.577 15.586 -16.089 1.00 1.00 C ATOM 1316 CG HIS A 86 -0.408 15.248 -16.983 1.00 1.00 C ATOM 1317 ND1 HIS A 86 0.260 16.200 -17.735 1.00 1.00 N ATOM 1318 CD2 HIS A 86 0.205 14.056 -17.237 1.00 1.00 C ATOM 1319 CE1 HIS A 86 1.228 15.596 -18.408 1.00 1.00 C ATOM 1320 NE2 HIS A 86 1.192 14.268 -18.099 1.00 1.00 N ATOM 0 H HIS A 86 -0.296 16.792 -14.296 1.00 1.00 H new ATOM 0 HA HIS A 86 -1.606 17.593 -16.753 1.00 1.00 H new ATOM 0 HB2 HIS A 86 -1.466 15.052 -15.145 1.00 1.00 H new ATOM 0 HB3 HIS A 86 -2.494 15.223 -16.554 1.00 1.00 H new ATOM 0 HD1 HIS A 86 0.044 17.196 -17.765 1.00 1.00 H new ATOM 0 HD2 HIS A 86 -0.067 13.102 -16.809 1.00 1.00 H new ATOM 0 HE1 HIS A 86 1.924 16.072 -19.083 1.00 1.00 H new ATOM 1328 N SER A 87 -3.105 18.250 -14.204 1.00 1.00 N ATOM 1329 CA SER A 87 -4.347 18.679 -13.582 1.00 1.00 C ATOM 1330 C SER A 87 -4.695 20.098 -14.033 1.00 1.00 C ATOM 1331 O SER A 87 -5.856 20.504 -13.975 1.00 1.00 O ATOM 1332 CB SER A 87 -4.250 18.615 -12.058 1.00 1.00 C ATOM 1333 OG SER A 87 -5.340 19.279 -11.424 1.00 1.00 O ATOM 0 H SER A 87 -2.260 18.620 -13.768 1.00 1.00 H new ATOM 0 HA SER A 87 -5.140 18.000 -13.897 1.00 1.00 H new ATOM 0 HB2 SER A 87 -4.226 17.573 -11.740 1.00 1.00 H new ATOM 0 HB3 SER A 87 -3.313 19.068 -11.735 1.00 1.00 H new ATOM 0 HG SER A 87 -5.241 19.214 -10.451 1.00 1.00 H new ATOM 1339 N THR A 88 -3.672 20.813 -14.475 1.00 1.00 N ATOM 1340 CA THR A 88 -3.857 22.179 -14.936 1.00 1.00 C ATOM 1341 C THR A 88 -3.241 22.361 -16.325 1.00 1.00 C ATOM 1342 O THR A 88 -3.790 23.075 -17.162 1.00 1.00 O ATOM 1343 CB THR A 88 -3.266 23.118 -13.882 1.00 1.00 C ATOM 1344 OG1 THR A 88 -1.909 22.701 -13.767 1.00 1.00 O ATOM 1345 CG2 THR A 88 -3.850 22.875 -12.489 1.00 1.00 C ATOM 0 H THR A 88 -2.712 20.473 -14.524 1.00 1.00 H new ATOM 0 HA THR A 88 -4.914 22.418 -15.049 1.00 1.00 H new ATOM 0 HB THR A 88 -3.445 24.152 -14.176 1.00 1.00 H new ATOM 0 HG1 THR A 88 -1.450 23.259 -13.105 1.00 1.00 H new ATOM 0 HG21 THR A 88 -3.397 23.567 -11.779 1.00 1.00 H new ATOM 0 HG22 THR A 88 -4.928 23.034 -12.514 1.00 1.00 H new ATOM 0 HG23 THR A 88 -3.641 21.851 -12.181 1.00 1.00 H new ATOM 1353 N VAL A 89 -2.108 21.702 -16.525 1.00 1.00 N ATOM 1354 CA VAL A 89 -1.412 21.782 -17.798 1.00 1.00 C ATOM 1355 C VAL A 89 -1.117 20.368 -18.303 1.00 1.00 C ATOM 1356 O VAL A 89 -0.035 19.834 -18.068 1.00 1.00 O ATOM 1357 CB VAL A 89 -0.153 22.639 -17.653 1.00 1.00 C ATOM 1358 CG1 VAL A 89 0.752 22.498 -18.879 1.00 1.00 C ATOM 1359 CG2 VAL A 89 -0.513 24.105 -17.402 1.00 1.00 C ATOM 0 H VAL A 89 -1.656 21.111 -15.827 1.00 1.00 H new ATOM 0 HA VAL A 89 -2.038 22.270 -18.545 1.00 1.00 H new ATOM 0 HB VAL A 89 0.400 22.277 -16.786 1.00 1.00 H new ATOM 0 HG11 VAL A 89 1.639 23.118 -18.749 1.00 1.00 H new ATOM 0 HG12 VAL A 89 1.051 21.456 -18.993 1.00 1.00 H new ATOM 0 HG13 VAL A 89 0.212 22.820 -19.769 1.00 1.00 H new ATOM 0 HG21 VAL A 89 0.400 24.692 -17.303 1.00 1.00 H new ATOM 0 HG22 VAL A 89 -1.099 24.484 -18.239 1.00 1.00 H new ATOM 0 HG23 VAL A 89 -1.097 24.184 -16.485 1.00 1.00 H new ATOM 1369 N ALA A 90 -2.100 19.803 -18.988 1.00 1.00 N ATOM 1370 CA ALA A 90 -1.960 18.460 -19.529 1.00 1.00 C ATOM 1371 C ALA A 90 -1.099 18.512 -20.792 1.00 1.00 C ATOM 1372 O ALA A 90 -1.623 18.485 -21.906 1.00 1.00 O ATOM 1373 CB ALA A 90 -3.347 17.869 -19.790 1.00 1.00 C ATOM 0 H ALA A 90 -2.996 20.250 -19.181 1.00 1.00 H new ATOM 0 HA ALA A 90 -1.457 17.807 -18.815 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -3.243 16.863 -20.195 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -3.907 17.828 -18.856 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -3.881 18.495 -20.505 1.00 1.00 H new ATOM 1379 N ASP A 91 0.205 18.586 -20.580 1.00 1.00 N ATOM 1380 CA ASP A 91 1.142 18.642 -21.688 1.00 1.00 C ATOM 1381 C ASP A 91 1.237 17.261 -22.341 1.00 1.00 C ATOM 1382 O ASP A 91 1.886 17.101 -23.373 1.00 1.00 O ATOM 1383 CB ASP A 91 2.542 19.034 -21.208 1.00 1.00 C ATOM 1384 CG ASP A 91 3.619 19.041 -22.294 1.00 1.00 C ATOM 1385 OD1 ASP A 91 3.743 20.087 -22.966 1.00 1.00 O ATOM 1386 OD2 ASP A 91 4.296 17.998 -22.429 1.00 1.00 O ATOM 0 H ASP A 91 0.636 18.609 -19.656 1.00 1.00 H new ATOM 0 HA ASP A 91 0.781 19.388 -22.396 1.00 1.00 H new ATOM 0 HB2 ASP A 91 2.492 20.027 -20.761 1.00 1.00 H new ATOM 0 HB3 ASP A 91 2.846 18.345 -20.420 1.00 1.00 H new ATOM 1391 N GLY A 92 0.578 16.298 -21.711 1.00 1.00 N ATOM 1392 CA GLY A 92 0.580 14.936 -22.218 1.00 1.00 C ATOM 1393 C GLY A 92 -0.835 14.489 -22.592 1.00 1.00 C ATOM 1394 O GLY A 92 -1.151 14.338 -23.771 1.00 1.00 O ATOM 0 H GLY A 92 0.040 16.434 -20.855 1.00 1.00 H new ATOM 0 HA2 GLY A 92 1.229 14.870 -23.091 1.00 1.00 H new ATOM 0 HA3 GLY A 92 0.990 14.264 -21.464 1.00 1.00 H new ATOM 1398 N LEU A 93 -1.648 14.289 -21.566 1.00 1.00 N ATOM 1399 CA LEU A 93 -3.023 13.862 -21.772 1.00 1.00 C ATOM 1400 C LEU A 93 -3.808 14.992 -22.439 1.00 1.00 C ATOM 1401 O LEU A 93 -3.619 16.162 -22.112 1.00 1.00 O ATOM 1402 CB LEU A 93 -3.636 13.379 -20.457 1.00 1.00 C ATOM 1403 CG LEU A 93 -2.927 13.832 -19.179 1.00 1.00 C ATOM 1404 CD1 LEU A 93 -3.915 13.961 -18.019 1.00 1.00 C ATOM 1405 CD2 LEU A 93 -1.763 12.900 -18.838 1.00 1.00 C ATOM 0 H LEU A 93 -1.382 14.414 -20.589 1.00 1.00 H new ATOM 0 HA LEU A 93 -3.060 13.007 -22.447 1.00 1.00 H new ATOM 0 HB2 LEU A 93 -4.671 13.720 -20.415 1.00 1.00 H new ATOM 0 HB3 LEU A 93 -3.659 12.289 -20.469 1.00 1.00 H new ATOM 0 HG LEU A 93 -2.507 14.822 -19.355 1.00 1.00 H new ATOM 0 HD11 LEU A 93 -3.384 14.284 -17.123 1.00 1.00 H new ATOM 0 HD12 LEU A 93 -4.680 14.695 -18.272 1.00 1.00 H new ATOM 0 HD13 LEU A 93 -4.386 12.996 -17.833 1.00 1.00 H new ATOM 0 HD21 LEU A 93 -1.276 13.245 -17.926 1.00 1.00 H new ATOM 0 HD22 LEU A 93 -2.139 11.888 -18.689 1.00 1.00 H new ATOM 0 HD23 LEU A 93 -1.043 12.903 -19.656 1.00 1.00 H new ATOM 1417 N ILE A 94 -4.673 14.601 -23.364 1.00 1.00 N ATOM 1418 CA ILE A 94 -5.489 15.568 -24.081 1.00 1.00 C ATOM 1419 C ILE A 94 -6.060 16.583 -23.089 1.00 1.00 C ATOM 1420 O ILE A 94 -5.504 17.666 -22.915 1.00 1.00 O ATOM 1421 CB ILE A 94 -6.556 14.855 -24.913 1.00 1.00 C ATOM 1422 CG1 ILE A 94 -7.667 15.822 -25.326 1.00 1.00 C ATOM 1423 CG2 ILE A 94 -7.105 13.634 -24.173 1.00 1.00 C ATOM 1424 CD1 ILE A 94 -8.229 15.459 -26.701 1.00 1.00 C ATOM 0 H ILE A 94 -4.827 13.629 -23.633 1.00 1.00 H new ATOM 0 HA ILE A 94 -4.881 16.126 -24.793 1.00 1.00 H new ATOM 0 HB ILE A 94 -6.088 14.493 -25.828 1.00 1.00 H new ATOM 0 HG12 ILE A 94 -8.467 15.800 -24.585 1.00 1.00 H new ATOM 0 HG13 ILE A 94 -7.279 16.840 -25.346 1.00 1.00 H new ATOM 0 HG21 ILE A 94 -7.862 13.146 -24.787 1.00 1.00 H new ATOM 0 HG22 ILE A 94 -6.293 12.934 -23.973 1.00 1.00 H new ATOM 0 HG23 ILE A 94 -7.552 13.950 -23.230 1.00 1.00 H new ATOM 0 HD11 ILE A 94 -9.017 16.163 -26.969 1.00 1.00 H new ATOM 0 HD12 ILE A 94 -7.432 15.506 -27.444 1.00 1.00 H new ATOM 0 HD13 ILE A 94 -8.639 14.449 -26.672 1.00 1.00 H new ATOM 1436 N THR A 95 -7.162 16.196 -22.465 1.00 1.00 N ATOM 1437 CA THR A 95 -7.814 17.059 -21.494 1.00 1.00 C ATOM 1438 C THR A 95 -7.043 17.055 -20.173 1.00 1.00 C ATOM 1439 O THR A 95 -5.876 16.667 -20.131 1.00 1.00 O ATOM 1440 CB THR A 95 -9.267 16.598 -21.352 1.00 1.00 C ATOM 1441 OG1 THR A 95 -9.875 17.609 -20.552 1.00 1.00 O ATOM 1442 CG2 THR A 95 -9.398 15.328 -20.511 1.00 1.00 C ATOM 0 H THR A 95 -7.620 15.297 -22.612 1.00 1.00 H new ATOM 0 HA THR A 95 -7.818 18.097 -21.827 1.00 1.00 H new ATOM 0 HB THR A 95 -9.691 16.424 -22.341 1.00 1.00 H new ATOM 0 HG1 THR A 95 -10.820 17.391 -20.412 1.00 1.00 H new ATOM 0 HG21 THR A 95 -10.448 15.044 -20.442 1.00 1.00 H new ATOM 0 HG22 THR A 95 -8.834 14.521 -20.980 1.00 1.00 H new ATOM 0 HG23 THR A 95 -9.005 15.512 -19.511 1.00 1.00 H new ATOM 1450 N THR A 96 -7.728 17.488 -19.124 1.00 1.00 N ATOM 1451 CA THR A 96 -7.121 17.538 -17.804 1.00 1.00 C ATOM 1452 C THR A 96 -7.996 16.802 -16.787 1.00 1.00 C ATOM 1453 O THR A 96 -9.179 17.106 -16.643 1.00 1.00 O ATOM 1454 CB THR A 96 -6.883 19.007 -17.449 1.00 1.00 C ATOM 1455 OG1 THR A 96 -8.168 19.482 -17.055 1.00 1.00 O ATOM 1456 CG2 THR A 96 -6.532 19.856 -18.672 1.00 1.00 C ATOM 0 H THR A 96 -8.696 17.807 -19.161 1.00 1.00 H new ATOM 0 HA THR A 96 -6.159 17.025 -17.791 1.00 1.00 H new ATOM 0 HB THR A 96 -6.080 19.077 -16.716 1.00 1.00 H new ATOM 0 HG1 THR A 96 -8.835 18.778 -17.196 1.00 1.00 H new ATOM 0 HG21 THR A 96 -6.373 20.889 -18.364 1.00 1.00 H new ATOM 0 HG22 THR A 96 -5.623 19.471 -19.133 1.00 1.00 H new ATOM 0 HG23 THR A 96 -7.350 19.813 -19.391 1.00 1.00 H new ATOM 1464 N LEU A 97 -7.380 15.846 -16.108 1.00 1.00 N ATOM 1465 CA LEU A 97 -8.086 15.062 -15.108 1.00 1.00 C ATOM 1466 C LEU A 97 -9.047 15.973 -14.340 1.00 1.00 C ATOM 1467 O LEU A 97 -8.650 17.031 -13.855 1.00 1.00 O ATOM 1468 CB LEU A 97 -7.095 14.317 -14.212 1.00 1.00 C ATOM 1469 CG LEU A 97 -5.681 14.898 -14.149 1.00 1.00 C ATOM 1470 CD1 LEU A 97 -5.148 14.891 -12.715 1.00 1.00 C ATOM 1471 CD2 LEU A 97 -4.744 14.163 -15.112 1.00 1.00 C ATOM 0 H LEU A 97 -6.399 15.596 -16.231 1.00 1.00 H new ATOM 0 HA LEU A 97 -8.689 14.290 -15.585 1.00 1.00 H new ATOM 0 HB2 LEU A 97 -7.500 14.289 -13.201 1.00 1.00 H new ATOM 0 HB3 LEU A 97 -7.028 13.285 -14.557 1.00 1.00 H new ATOM 0 HG LEU A 97 -5.724 15.938 -14.471 1.00 1.00 H new ATOM 0 HD11 LEU A 97 -4.142 15.309 -12.699 1.00 1.00 H new ATOM 0 HD12 LEU A 97 -5.801 15.492 -12.081 1.00 1.00 H new ATOM 0 HD13 LEU A 97 -5.122 13.867 -12.342 1.00 1.00 H new ATOM 0 HD21 LEU A 97 -3.745 14.595 -15.048 1.00 1.00 H new ATOM 0 HD22 LEU A 97 -4.701 13.108 -14.843 1.00 1.00 H new ATOM 0 HD23 LEU A 97 -5.118 14.263 -16.131 1.00 1.00 H new ATOM 1483 N HIS A 98 -10.291 15.527 -14.255 1.00 1.00 N ATOM 1484 CA HIS A 98 -11.312 16.289 -13.554 1.00 1.00 C ATOM 1485 C HIS A 98 -12.220 15.333 -12.776 1.00 1.00 C ATOM 1486 O HIS A 98 -13.443 15.474 -12.802 1.00 1.00 O ATOM 1487 CB HIS A 98 -12.085 17.183 -14.524 1.00 1.00 C ATOM 1488 CG HIS A 98 -13.016 18.162 -13.849 1.00 1.00 C ATOM 1489 ND1 HIS A 98 -14.297 18.013 -13.405 1.00 1.00 N flip ATOM 1490 CD2 HIS A 98 -12.653 19.467 -13.565 1.00 1.00 C flip ATOM 1491 CE1 HIS A 98 -14.696 19.163 -12.878 1.00 1.00 C flip ATOM 1492 NE2 HIS A 98 -13.678 20.067 -12.976 1.00 1.00 N flip ATOM 0 H HIS A 98 -10.616 14.649 -14.659 1.00 1.00 H new ATOM 0 HA HIS A 98 -10.842 16.957 -12.833 1.00 1.00 H new ATOM 0 HB2 HIS A 98 -11.374 17.737 -15.136 1.00 1.00 H new ATOM 0 HB3 HIS A 98 -12.664 16.553 -15.199 1.00 1.00 H new ATOM 0 HD1 HIS A 98 -14.854 17.161 -13.468 1.00 1.00 H new ATOM 0 HD2 HIS A 98 -11.697 19.919 -13.786 1.00 1.00 H new ATOM 0 HE1 HIS A 98 -15.666 19.353 -12.443 1.00 1.00 H new ATOM 1500 N TYR A 99 -11.589 14.383 -12.103 1.00 1.00 N ATOM 1501 CA TYR A 99 -12.325 13.405 -11.320 1.00 1.00 C ATOM 1502 C TYR A 99 -11.480 12.890 -10.152 1.00 1.00 C ATOM 1503 O TYR A 99 -11.195 11.696 -10.068 1.00 1.00 O ATOM 1504 CB TYR A 99 -12.625 12.244 -12.269 1.00 1.00 C ATOM 1505 CG TYR A 99 -14.093 11.812 -12.278 1.00 1.00 C ATOM 1506 CD1 TYR A 99 -15.090 12.759 -12.381 1.00 1.00 C ATOM 1507 CD2 TYR A 99 -14.418 10.474 -12.182 1.00 1.00 C ATOM 1508 CE1 TYR A 99 -16.472 12.351 -12.391 1.00 1.00 C ATOM 1509 CE2 TYR A 99 -15.799 10.067 -12.189 1.00 1.00 C ATOM 1510 CZ TYR A 99 -16.758 11.026 -12.294 1.00 1.00 C ATOM 1511 OH TYR A 99 -18.063 10.640 -12.301 1.00 1.00 O ATOM 0 H TYR A 99 -10.576 14.269 -12.084 1.00 1.00 H new ATOM 0 HA TYR A 99 -13.230 13.848 -10.904 1.00 1.00 H new ATOM 0 HB2 TYR A 99 -12.335 12.530 -13.280 1.00 1.00 H new ATOM 0 HB3 TYR A 99 -12.007 11.391 -11.989 1.00 1.00 H new ATOM 0 HD1 TYR A 99 -14.835 13.806 -12.454 1.00 1.00 H new ATOM 0 HD2 TYR A 99 -13.637 9.733 -12.102 1.00 1.00 H new ATOM 0 HE1 TYR A 99 -17.263 13.082 -12.474 1.00 1.00 H new ATOM 0 HE2 TYR A 99 -16.068 9.024 -12.113 1.00 1.00 H new ATOM 0 HH TYR A 99 -18.116 9.664 -12.226 1.00 1.00 H new ATOM 1521 N PRO A 100 -11.093 13.839 -9.260 1.00 1.00 N ATOM 1522 CA PRO A 100 -10.286 13.493 -8.101 1.00 1.00 C ATOM 1523 C PRO A 100 -11.128 12.786 -7.039 1.00 1.00 C ATOM 1524 O PRO A 100 -11.123 13.182 -5.873 1.00 1.00 O ATOM 1525 CB PRO A 100 -9.704 14.812 -7.619 1.00 1.00 C ATOM 1526 CG PRO A 100 -10.570 15.900 -8.234 1.00 1.00 C ATOM 1527 CD PRO A 100 -11.412 15.263 -9.328 1.00 1.00 C ATOM 0 HA PRO A 100 -9.491 12.786 -8.337 1.00 1.00 H new ATOM 0 HB2 PRO A 100 -9.718 14.870 -6.531 1.00 1.00 H new ATOM 0 HB3 PRO A 100 -8.665 14.917 -7.931 1.00 1.00 H new ATOM 0 HG2 PRO A 100 -11.209 16.354 -7.476 1.00 1.00 H new ATOM 0 HG3 PRO A 100 -9.949 16.696 -8.645 1.00 1.00 H new ATOM 0 HD2 PRO A 100 -12.475 15.439 -9.163 1.00 1.00 H new ATOM 0 HD3 PRO A 100 -11.169 15.677 -10.307 1.00 1.00 H new