USER MOD reduce.3.24.130724 H: found=0, std=0, add=1046, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1046 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 25 CYS SG : rot -160:sc= 0.546 USER MOD Set 1.2: A 131 TYR OH : rot 172:sc= 1.14 USER MOD Set 2.1: A 112 HIS : no HE2:sc= 0.533 K(o=-0.54,f=-5.5!) USER MOD Set 2.2: A 113 THR OG1 : rot 180:sc= -1.4 USER MOD Set 2.3: A 116 GLN : amide:sc= 0.326 K(o=-0.54,f=-2.3) USER MOD Set 3.1: A 30 ASN : amide:sc= -0.598 K(o=-0.46,f=-1.2) USER MOD Set 3.2: A 41 SER OG : rot -135:sc= 1.17 USER MOD Set 3.3: A 53 HIS : no HD1:sc= -1.03 K(o=-0.46,f=-3.8) USER MOD Set 4.1: A 39 THR OG1 : rot 140:sc= 0.433 USER MOD Set 4.2: A 54 HIS : no HE2:sc= 0.381 K(o=0.81,f=-3.6!) USER MOD Set 5.1: A 4 SER OG : rot 180:sc= 0.217 USER MOD Set 5.2: A 105 THR OG1 : rot -86:sc= 0.232 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.00392 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -141:sc= 0.0368 (180deg=-1.57!) USER MOD Single : A 8 HIS : no HD1:sc= 0.21 K(o=0.21,f=-2.7) USER MOD Single : A 11 GLN : amide:sc= -1.8 K(o=-1.8,f=-3.5!) USER MOD Single : A 21 ASN : amide:sc= -2.19 K(o=-2.2,f=-0.62) USER MOD Single : A 33 SER OG : rot -64:sc= -0.68 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 148:sc= 0.106 USER MOD Single : A 52 CYS SG : rot 36:sc= -2.42 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 172:sc= 0.743 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00401 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -59:sc= 1.44 USER MOD Single : A 83 MET CE :methyl -169:sc=-0.00345 (180deg=-0.156) USER MOD Single : A 92 GLN : amide:sc= -2.36! C(o=-2.4!,f=-2.9!) USER MOD Single : A 95 SER OG : rot 21:sc= 0.0405 USER MOD Single : A 100 THR OG1 : rot 64:sc= 0.137 USER MOD Single : A 103 GLN : amide:sc= -3.57! C(o=-3.6!,f=-3.6!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 117 GLN : amide:sc= -1.54 K(o=-1.5,f=-4.7!) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 122 GLN : amide:sc= -0.197 K(o=-0.2,f=-1.9) USER MOD Single : A 127 ASN : amide:sc= -0.282 K(o=-0.28,f=-2.7!) USER MOD Single : A 129 LYS NZ :NH3+ 141:sc= 1.09 (180deg=0.221) USER MOD Single : A 139 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.48) USER MOD Single : A 140 HIS : no HE2:sc=-0.00837 K(o=-0.0084,f=-1.6) USER MOD Single : A 141 HIS : no HD1:sc= -0.0345 X(o=-0.034,f=-0.5) USER MOD Single : A 142 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 HIS : no HD1:sc= -0.523 K(o=-0.52,f=-2.3) USER MOD Single : A 144 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.559 17.677 5.008 1.00 0.00 N ATOM 2 CA MET A 1 6.922 16.889 6.083 1.00 0.00 C ATOM 3 C MET A 1 6.522 15.507 5.558 1.00 0.00 C ATOM 4 O MET A 1 5.975 15.392 4.462 1.00 0.00 O ATOM 5 CB MET A 1 5.672 17.617 6.655 1.00 0.00 C ATOM 6 CG MET A 1 4.967 16.860 7.793 1.00 0.00 C ATOM 7 SD MET A 1 3.499 17.703 8.419 1.00 0.00 S ATOM 8 CE MET A 1 2.979 16.571 9.712 1.00 0.00 C ATOM 0 H1 MET A 1 7.184 18.647 5.020 1.00 0.00 H new ATOM 0 H2 MET A 1 8.588 17.701 5.158 1.00 0.00 H new ATOM 0 H3 MET A 1 7.354 17.238 4.088 1.00 0.00 H new ATOM 0 HA MET A 1 7.648 16.776 6.888 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.973 18.599 7.019 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.959 17.781 5.847 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.683 15.869 7.438 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.671 16.716 8.613 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.080 16.956 10.193 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.767 15.594 9.277 1.00 0.00 H new ATOM 0 HE3 MET A 1 3.773 16.474 10.452 1.00 0.00 H new ATOM 20 N LYS A 2 6.803 14.471 6.360 1.00 0.00 N ATOM 21 CA LYS A 2 6.350 13.099 6.102 1.00 0.00 C ATOM 22 C LYS A 2 5.478 12.615 7.268 1.00 0.00 C ATOM 23 O LYS A 2 5.891 12.677 8.434 1.00 0.00 O ATOM 24 CB LYS A 2 7.537 12.129 5.855 1.00 0.00 C ATOM 25 CG LYS A 2 8.362 12.436 4.583 1.00 0.00 C ATOM 26 CD LYS A 2 9.424 11.359 4.281 1.00 0.00 C ATOM 27 CE LYS A 2 10.197 11.645 2.979 1.00 0.00 C ATOM 28 NZ LYS A 2 9.316 11.686 1.772 1.00 0.00 N ATOM 0 H LYS A 2 7.355 14.563 7.212 1.00 0.00 H new ATOM 0 HA LYS A 2 5.756 13.105 5.188 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.201 12.159 6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.150 11.112 5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.688 12.523 3.731 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.854 13.402 4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.127 11.302 5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.939 10.386 4.206 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.718 12.598 3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.959 10.878 2.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.803 11.235 0.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.431 11.177 1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 9.100 12.675 1.533 1.00 0.00 H new ATOM 42 N ILE A 3 4.264 12.163 6.934 1.00 0.00 N ATOM 43 CA ILE A 3 3.321 11.566 7.882 1.00 0.00 C ATOM 44 C ILE A 3 3.648 10.075 8.041 1.00 0.00 C ATOM 45 O ILE A 3 3.907 9.384 7.052 1.00 0.00 O ATOM 46 CB ILE A 3 1.839 11.712 7.378 1.00 0.00 C ATOM 47 CG1 ILE A 3 1.482 13.203 7.064 1.00 0.00 C ATOM 48 CG2 ILE A 3 0.841 11.098 8.395 1.00 0.00 C ATOM 49 CD1 ILE A 3 0.100 13.398 6.462 1.00 0.00 C ATOM 0 H ILE A 3 3.905 12.203 5.980 1.00 0.00 H new ATOM 0 HA ILE A 3 3.415 12.086 8.836 1.00 0.00 H new ATOM 0 HB ILE A 3 1.753 11.154 6.446 1.00 0.00 H new ATOM 0 HG12 ILE A 3 1.551 13.783 7.984 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.226 13.606 6.377 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.176 11.213 8.021 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.062 10.039 8.527 1.00 0.00 H new ATOM 0 HG23 ILE A 3 0.936 11.610 9.352 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.069 14.458 6.274 1.00 0.00 H new ATOM 0 HD12 ILE A 3 0.031 12.848 5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.655 13.028 7.156 1.00 0.00 H new ATOM 61 N SER A 4 3.631 9.589 9.283 1.00 0.00 N ATOM 62 CA SER A 4 3.904 8.185 9.607 1.00 0.00 C ATOM 63 C SER A 4 2.663 7.548 10.266 1.00 0.00 C ATOM 64 O SER A 4 2.157 8.062 11.267 1.00 0.00 O ATOM 65 CB SER A 4 5.132 8.122 10.535 1.00 0.00 C ATOM 66 OG SER A 4 6.259 8.754 9.943 1.00 0.00 O ATOM 0 H SER A 4 3.426 10.163 10.101 1.00 0.00 H new ATOM 0 HA SER A 4 4.121 7.620 8.700 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.899 8.605 11.484 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.370 7.082 10.756 1.00 0.00 H new ATOM 0 HG SER A 4 7.023 8.700 10.555 1.00 0.00 H new ATOM 72 N ILE A 5 2.139 6.465 9.663 1.00 0.00 N ATOM 73 CA ILE A 5 1.016 5.670 10.208 1.00 0.00 C ATOM 74 C ILE A 5 1.447 4.203 10.408 1.00 0.00 C ATOM 75 O ILE A 5 2.539 3.813 9.984 1.00 0.00 O ATOM 76 CB ILE A 5 -0.262 5.742 9.289 1.00 0.00 C ATOM 77 CG1 ILE A 5 0.005 5.139 7.870 1.00 0.00 C ATOM 78 CG2 ILE A 5 -0.775 7.197 9.175 1.00 0.00 C ATOM 79 CD1 ILE A 5 -1.224 5.073 6.973 1.00 0.00 C ATOM 0 H ILE A 5 2.486 6.110 8.772 1.00 0.00 H new ATOM 0 HA ILE A 5 0.749 6.102 11.172 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.035 5.136 9.762 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.771 5.735 7.373 1.00 0.00 H new ATOM 0 HG13 ILE A 5 0.409 4.134 7.986 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.658 7.223 8.536 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -1.033 7.570 10.166 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.004 7.825 8.743 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.949 4.643 6.010 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.985 4.451 7.444 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.619 6.078 6.822 1.00 0.00 H new ATOM 91 N GLU A 6 0.578 3.395 11.058 1.00 0.00 N ATOM 92 CA GLU A 6 0.880 1.984 11.385 1.00 0.00 C ATOM 93 C GLU A 6 -0.382 1.101 11.446 1.00 0.00 C ATOM 94 O GLU A 6 -1.512 1.607 11.428 1.00 0.00 O ATOM 95 CB GLU A 6 1.629 1.892 12.739 1.00 0.00 C ATOM 96 CG GLU A 6 0.841 2.424 13.960 1.00 0.00 C ATOM 97 CD GLU A 6 1.547 2.145 15.293 1.00 0.00 C ATOM 98 OE1 GLU A 6 2.653 2.689 15.512 1.00 0.00 O ATOM 99 OE2 GLU A 6 1.034 1.342 16.106 1.00 0.00 O ATOM 0 H GLU A 6 -0.345 3.700 11.368 1.00 0.00 H new ATOM 0 HA GLU A 6 1.509 1.609 10.578 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.892 0.850 12.921 1.00 0.00 H new ATOM 0 HB3 GLU A 6 2.563 2.447 12.659 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.693 3.498 13.851 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -0.148 1.966 13.976 1.00 0.00 H new ATOM 106 N ALA A 7 -0.143 -0.232 11.514 1.00 0.00 N ATOM 107 CA ALA A 7 -1.171 -1.267 11.773 1.00 0.00 C ATOM 108 C ALA A 7 -0.477 -2.585 12.145 1.00 0.00 C ATOM 109 O ALA A 7 0.383 -3.046 11.401 1.00 0.00 O ATOM 110 CB ALA A 7 -2.080 -1.479 10.548 1.00 0.00 C ATOM 0 H ALA A 7 0.790 -0.624 11.387 1.00 0.00 H new ATOM 0 HA ALA A 7 -1.800 -0.930 12.597 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.822 -2.245 10.774 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -2.586 -0.545 10.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -1.477 -1.798 9.698 1.00 0.00 H new ATOM 116 N HIS A 8 -0.858 -3.204 13.277 1.00 0.00 N ATOM 117 CA HIS A 8 -0.239 -4.462 13.739 1.00 0.00 C ATOM 118 C HIS A 8 -1.114 -5.637 13.294 1.00 0.00 C ATOM 119 O HIS A 8 -2.016 -6.056 14.017 1.00 0.00 O ATOM 120 CB HIS A 8 -0.056 -4.477 15.276 1.00 0.00 C ATOM 121 CG HIS A 8 0.815 -3.383 15.820 1.00 0.00 C ATOM 122 ND1 HIS A 8 2.043 -3.620 16.385 1.00 0.00 N ATOM 123 CD2 HIS A 8 0.611 -2.049 15.925 1.00 0.00 C ATOM 124 CE1 HIS A 8 2.553 -2.493 16.819 1.00 0.00 C ATOM 125 NE2 HIS A 8 1.708 -1.523 16.550 1.00 0.00 N ATOM 0 H HIS A 8 -1.593 -2.853 13.891 1.00 0.00 H new ATOM 0 HA HIS A 8 0.753 -4.547 13.296 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.038 -4.407 15.745 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.368 -5.438 15.567 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -0.255 -1.503 15.580 1.00 0.00 H new ATOM 0 HE1 HIS A 8 3.506 -2.381 17.314 1.00 0.00 H new ATOM 0 HE2 HIS A 8 1.848 -0.537 16.772 1.00 0.00 H new ATOM 134 N ILE A 9 -0.882 -6.121 12.066 1.00 0.00 N ATOM 135 CA ILE A 9 -1.616 -7.267 11.513 1.00 0.00 C ATOM 136 C ILE A 9 -1.116 -8.552 12.187 1.00 0.00 C ATOM 137 O ILE A 9 0.059 -8.889 12.037 1.00 0.00 O ATOM 138 CB ILE A 9 -1.418 -7.392 9.956 1.00 0.00 C ATOM 139 CG1 ILE A 9 -1.687 -6.022 9.254 1.00 0.00 C ATOM 140 CG2 ILE A 9 -2.326 -8.511 9.375 1.00 0.00 C ATOM 141 CD1 ILE A 9 -1.501 -6.037 7.754 1.00 0.00 C ATOM 0 H ILE A 9 -0.185 -5.732 11.432 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.678 -7.115 11.706 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.382 -7.669 9.761 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -2.707 -5.708 9.477 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -1.022 -5.272 9.682 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -2.174 -8.581 8.298 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.072 -9.464 9.840 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -3.370 -8.275 9.579 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.709 -5.045 7.352 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -0.474 -6.317 7.517 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -2.186 -6.759 7.310 1.00 0.00 H new ATOM 153 N GLU A 10 -2.002 -9.265 12.904 1.00 0.00 N ATOM 154 CA GLU A 10 -1.648 -10.520 13.596 1.00 0.00 C ATOM 155 C GLU A 10 -1.522 -11.653 12.563 1.00 0.00 C ATOM 156 O GLU A 10 -2.462 -12.411 12.305 1.00 0.00 O ATOM 157 CB GLU A 10 -2.656 -10.837 14.744 1.00 0.00 C ATOM 158 CG GLU A 10 -4.156 -10.810 14.352 1.00 0.00 C ATOM 159 CD GLU A 10 -5.079 -11.141 15.527 1.00 0.00 C ATOM 160 OE1 GLU A 10 -5.231 -12.343 15.849 1.00 0.00 O ATOM 161 OE2 GLU A 10 -5.620 -10.207 16.165 1.00 0.00 O ATOM 0 H GLU A 10 -2.978 -8.991 13.021 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.679 -10.412 14.083 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.422 -11.823 15.145 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.497 -10.120 15.549 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.408 -9.823 13.964 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.330 -11.523 13.546 1.00 0.00 H new ATOM 168 N GLN A 11 -0.341 -11.702 11.931 1.00 0.00 N ATOM 169 CA GLN A 11 -0.065 -12.604 10.817 1.00 0.00 C ATOM 170 C GLN A 11 1.452 -12.742 10.598 1.00 0.00 C ATOM 171 O GLN A 11 2.243 -11.954 11.137 1.00 0.00 O ATOM 172 CB GLN A 11 -0.742 -12.046 9.523 1.00 0.00 C ATOM 173 CG GLN A 11 -1.033 -13.106 8.452 1.00 0.00 C ATOM 174 CD GLN A 11 -2.194 -14.009 8.839 1.00 0.00 C ATOM 175 OE1 GLN A 11 -3.344 -13.748 8.493 1.00 0.00 O ATOM 176 NE2 GLN A 11 -1.908 -15.056 9.589 1.00 0.00 N ATOM 0 H GLN A 11 0.451 -11.111 12.184 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.470 -13.589 11.047 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -1.677 -11.559 9.798 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.098 -11.279 9.092 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -1.258 -12.613 7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.141 -13.712 8.291 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.942 -15.242 9.857 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -2.653 -15.679 9.900 1.00 0.00 H new ATOM 185 N GLU A 12 1.839 -13.756 9.802 1.00 0.00 N ATOM 186 CA GLU A 12 3.212 -13.933 9.305 1.00 0.00 C ATOM 187 C GLU A 12 3.554 -12.834 8.285 1.00 0.00 C ATOM 188 O GLU A 12 2.705 -12.473 7.476 1.00 0.00 O ATOM 189 CB GLU A 12 3.347 -15.324 8.633 1.00 0.00 C ATOM 190 CG GLU A 12 3.012 -16.508 9.556 1.00 0.00 C ATOM 191 CD GLU A 12 3.207 -17.872 8.888 1.00 0.00 C ATOM 192 OE1 GLU A 12 2.340 -18.289 8.096 1.00 0.00 O ATOM 193 OE2 GLU A 12 4.227 -18.544 9.159 1.00 0.00 O ATOM 0 H GLU A 12 1.198 -14.483 9.483 1.00 0.00 H new ATOM 0 HA GLU A 12 3.903 -13.864 10.145 1.00 0.00 H new ATOM 0 HB2 GLU A 12 2.691 -15.360 7.763 1.00 0.00 H new ATOM 0 HB3 GLU A 12 4.367 -15.441 8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 12 3.639 -16.454 10.446 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.978 -16.419 9.889 1.00 0.00 H new ATOM 200 N ILE A 13 4.804 -12.341 8.311 1.00 0.00 N ATOM 201 CA ILE A 13 5.273 -11.269 7.403 1.00 0.00 C ATOM 202 C ILE A 13 5.272 -11.764 5.934 1.00 0.00 C ATOM 203 O ILE A 13 5.112 -10.970 5.004 1.00 0.00 O ATOM 204 CB ILE A 13 6.694 -10.745 7.838 1.00 0.00 C ATOM 205 CG1 ILE A 13 7.079 -9.451 7.059 1.00 0.00 C ATOM 206 CG2 ILE A 13 7.783 -11.835 7.681 1.00 0.00 C ATOM 207 CD1 ILE A 13 8.445 -8.897 7.395 1.00 0.00 C ATOM 0 H ILE A 13 5.520 -12.671 8.959 1.00 0.00 H new ATOM 0 HA ILE A 13 4.582 -10.429 7.472 1.00 0.00 H new ATOM 0 HB ILE A 13 6.636 -10.496 8.898 1.00 0.00 H new ATOM 0 HG12 ILE A 13 7.039 -9.661 5.990 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.331 -8.685 7.261 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.747 -11.433 7.991 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.531 -12.694 8.303 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.838 -12.146 6.638 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.628 -7.998 6.807 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.487 -8.651 8.456 1.00 0.00 H new ATOM 0 HD13 ILE A 13 9.206 -9.642 7.165 1.00 0.00 H new ATOM 219 N GLU A 14 5.405 -13.097 5.755 1.00 0.00 N ATOM 220 CA GLU A 14 5.299 -13.753 4.437 1.00 0.00 C ATOM 221 C GLU A 14 3.872 -13.617 3.887 1.00 0.00 C ATOM 222 O GLU A 14 3.673 -13.313 2.714 1.00 0.00 O ATOM 223 CB GLU A 14 5.656 -15.258 4.544 1.00 0.00 C ATOM 224 CG GLU A 14 6.993 -15.565 5.236 1.00 0.00 C ATOM 225 CD GLU A 14 8.201 -14.865 4.606 1.00 0.00 C ATOM 226 OE1 GLU A 14 8.513 -15.144 3.429 1.00 0.00 O ATOM 227 OE2 GLU A 14 8.858 -14.049 5.282 1.00 0.00 O ATOM 0 H GLU A 14 5.589 -13.746 6.520 1.00 0.00 H new ATOM 0 HA GLU A 14 6.001 -13.263 3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.859 -15.766 5.087 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.679 -15.682 3.540 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.923 -15.272 6.284 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.160 -16.642 5.217 1.00 0.00 H new ATOM 234 N ALA A 15 2.897 -13.859 4.777 1.00 0.00 N ATOM 235 CA ALA A 15 1.458 -13.864 4.444 1.00 0.00 C ATOM 236 C ALA A 15 0.917 -12.434 4.233 1.00 0.00 C ATOM 237 O ALA A 15 0.046 -12.207 3.388 1.00 0.00 O ATOM 238 CB ALA A 15 0.694 -14.586 5.561 1.00 0.00 C ATOM 0 H ALA A 15 3.084 -14.059 5.759 1.00 0.00 H new ATOM 0 HA ALA A 15 1.313 -14.393 3.502 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.370 -14.596 5.326 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.056 -15.610 5.646 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.852 -14.065 6.505 1.00 0.00 H new ATOM 244 N VAL A 16 1.442 -11.487 5.030 1.00 0.00 N ATOM 245 CA VAL A 16 1.128 -10.050 4.896 1.00 0.00 C ATOM 246 C VAL A 16 1.649 -9.535 3.539 1.00 0.00 C ATOM 247 O VAL A 16 0.898 -8.938 2.769 1.00 0.00 O ATOM 248 CB VAL A 16 1.738 -9.201 6.084 1.00 0.00 C ATOM 249 CG1 VAL A 16 1.511 -7.679 5.902 1.00 0.00 C ATOM 250 CG2 VAL A 16 1.176 -9.662 7.446 1.00 0.00 C ATOM 0 H VAL A 16 2.096 -11.694 5.785 1.00 0.00 H new ATOM 0 HA VAL A 16 0.045 -9.931 4.941 1.00 0.00 H new ATOM 0 HB VAL A 16 2.813 -9.378 6.067 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.949 -7.143 6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.983 -7.349 4.977 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.441 -7.473 5.857 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.614 -9.060 8.243 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.093 -9.540 7.453 1.00 0.00 H new ATOM 0 HG23 VAL A 16 1.424 -10.711 7.606 1.00 0.00 H new ATOM 260 N TRP A 17 2.935 -9.824 3.252 1.00 0.00 N ATOM 261 CA TRP A 17 3.585 -9.419 1.985 1.00 0.00 C ATOM 262 C TRP A 17 2.909 -10.087 0.777 1.00 0.00 C ATOM 263 O TRP A 17 2.765 -9.461 -0.279 1.00 0.00 O ATOM 264 CB TRP A 17 5.092 -9.771 2.012 1.00 0.00 C ATOM 265 CG TRP A 17 5.869 -9.302 0.793 1.00 0.00 C ATOM 266 CD1 TRP A 17 6.058 -9.977 -0.384 1.00 0.00 C ATOM 267 CD2 TRP A 17 6.562 -8.059 0.645 1.00 0.00 C ATOM 268 NE1 TRP A 17 6.802 -9.224 -1.250 1.00 0.00 N ATOM 269 CE2 TRP A 17 7.128 -8.045 -0.641 1.00 0.00 C ATOM 270 CE3 TRP A 17 6.756 -6.958 1.477 1.00 0.00 C ATOM 271 CZ2 TRP A 17 7.871 -6.975 -1.111 1.00 0.00 C ATOM 272 CZ3 TRP A 17 7.502 -5.900 1.011 1.00 0.00 C ATOM 273 CH2 TRP A 17 8.050 -5.914 -0.272 1.00 0.00 C ATOM 0 H TRP A 17 3.548 -10.339 3.884 1.00 0.00 H new ATOM 0 HA TRP A 17 3.476 -8.339 1.884 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.539 -9.332 2.904 1.00 0.00 H new ATOM 0 HB3 TRP A 17 5.198 -10.852 2.102 1.00 0.00 H new ATOM 0 HD1 TRP A 17 5.674 -10.964 -0.598 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.070 -9.498 -2.195 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.329 -6.936 2.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.293 -6.980 -2.105 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 7.666 -5.044 1.649 1.00 0.00 H new ATOM 0 HH2 TRP A 17 8.629 -5.066 -0.608 1.00 0.00 H new ATOM 284 N TRP A 18 2.515 -11.362 0.940 1.00 0.00 N ATOM 285 CA TRP A 18 1.864 -12.135 -0.129 1.00 0.00 C ATOM 286 C TRP A 18 0.562 -11.449 -0.559 1.00 0.00 C ATOM 287 O TRP A 18 0.365 -11.202 -1.734 1.00 0.00 O ATOM 288 CB TRP A 18 1.584 -13.594 0.308 1.00 0.00 C ATOM 289 CG TRP A 18 0.869 -14.416 -0.755 1.00 0.00 C ATOM 290 CD1 TRP A 18 1.410 -14.940 -1.899 1.00 0.00 C ATOM 291 CD2 TRP A 18 -0.528 -14.782 -0.774 1.00 0.00 C ATOM 292 NE1 TRP A 18 0.443 -15.589 -2.623 1.00 0.00 N ATOM 293 CE2 TRP A 18 -0.750 -15.513 -1.952 1.00 0.00 C ATOM 294 CE3 TRP A 18 -1.605 -14.557 0.095 1.00 0.00 C ATOM 295 CZ2 TRP A 18 -2.000 -16.023 -2.290 1.00 0.00 C ATOM 296 CZ3 TRP A 18 -2.846 -15.068 -0.240 1.00 0.00 C ATOM 297 CH2 TRP A 18 -3.034 -15.793 -1.426 1.00 0.00 C ATOM 0 H TRP A 18 2.638 -11.881 1.809 1.00 0.00 H new ATOM 0 HA TRP A 18 2.548 -12.171 -0.977 1.00 0.00 H new ATOM 0 HB2 TRP A 18 2.528 -14.078 0.557 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.981 -13.584 1.216 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.447 -14.855 -2.189 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.588 -16.055 -3.519 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.468 -13.996 1.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -2.148 -16.581 -3.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.684 -14.906 0.422 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.016 -16.177 -1.661 1.00 0.00 H new ATOM 308 N ALA A 19 -0.301 -11.140 0.422 1.00 0.00 N ATOM 309 CA ALA A 19 -1.587 -10.448 0.184 1.00 0.00 C ATOM 310 C ALA A 19 -1.367 -9.028 -0.383 1.00 0.00 C ATOM 311 O ALA A 19 -2.178 -8.536 -1.179 1.00 0.00 O ATOM 312 CB ALA A 19 -2.406 -10.396 1.483 1.00 0.00 C ATOM 0 H ALA A 19 -0.131 -11.361 1.403 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.145 -11.014 -0.562 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.351 -9.885 1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.604 -11.410 1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.845 -9.856 2.246 1.00 0.00 H new ATOM 318 N TRP A 20 -0.253 -8.396 0.031 1.00 0.00 N ATOM 319 CA TRP A 20 0.141 -7.051 -0.434 1.00 0.00 C ATOM 320 C TRP A 20 0.539 -7.073 -1.930 1.00 0.00 C ATOM 321 O TRP A 20 0.332 -6.093 -2.657 1.00 0.00 O ATOM 322 CB TRP A 20 1.313 -6.514 0.441 1.00 0.00 C ATOM 323 CG TRP A 20 1.728 -5.085 0.133 1.00 0.00 C ATOM 324 CD1 TRP A 20 2.677 -4.668 -0.768 1.00 0.00 C ATOM 325 CD2 TRP A 20 1.201 -3.888 0.728 1.00 0.00 C ATOM 326 NE1 TRP A 20 2.740 -3.297 -0.780 1.00 0.00 N ATOM 327 CE2 TRP A 20 1.853 -2.798 0.132 1.00 0.00 C ATOM 328 CE3 TRP A 20 0.232 -3.636 1.699 1.00 0.00 C ATOM 329 CZ2 TRP A 20 1.567 -1.481 0.474 1.00 0.00 C ATOM 330 CZ3 TRP A 20 -0.049 -2.330 2.049 1.00 0.00 C ATOM 331 CH2 TRP A 20 0.615 -1.263 1.435 1.00 0.00 C ATOM 0 H TRP A 20 0.401 -8.804 0.699 1.00 0.00 H new ATOM 0 HA TRP A 20 -0.714 -6.383 -0.331 1.00 0.00 H new ATOM 0 HB2 TRP A 20 1.024 -6.577 1.490 1.00 0.00 H new ATOM 0 HB3 TRP A 20 2.176 -7.166 0.309 1.00 0.00 H new ATOM 0 HD1 TRP A 20 3.284 -5.322 -1.377 1.00 0.00 H new ATOM 0 HE1 TRP A 20 3.352 -2.739 -1.375 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.293 -4.453 2.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 2.078 -0.657 -0.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.792 -2.130 2.807 1.00 0.00 H new ATOM 0 HH2 TRP A 20 0.373 -0.251 1.723 1.00 0.00 H new ATOM 342 N ASN A 21 1.106 -8.210 -2.365 1.00 0.00 N ATOM 343 CA ASN A 21 1.708 -8.373 -3.703 1.00 0.00 C ATOM 344 C ASN A 21 0.758 -9.104 -4.692 1.00 0.00 C ATOM 345 O ASN A 21 0.836 -8.882 -5.909 1.00 0.00 O ATOM 346 CB ASN A 21 3.039 -9.163 -3.547 1.00 0.00 C ATOM 347 CG ASN A 21 3.826 -9.356 -4.849 1.00 0.00 C ATOM 348 OD1 ASN A 21 4.417 -10.413 -5.073 1.00 0.00 O ATOM 349 ND2 ASN A 21 3.896 -8.330 -5.683 1.00 0.00 N ATOM 0 H ASN A 21 1.161 -9.053 -1.793 1.00 0.00 H new ATOM 0 HA ASN A 21 1.894 -7.385 -4.124 1.00 0.00 H new ATOM 0 HB2 ASN A 21 3.673 -8.642 -2.829 1.00 0.00 H new ATOM 0 HB3 ASN A 21 2.817 -10.143 -3.124 1.00 0.00 H new ATOM 0 HD21 ASN A 21 4.450 -8.403 -6.536 1.00 0.00 H new ATOM 0 HD22 ASN A 21 3.396 -7.466 -5.472 1.00 0.00 H new ATOM 356 N ASP A 22 -0.137 -9.958 -4.154 1.00 0.00 N ATOM 357 CA ASP A 22 -0.978 -10.887 -4.954 1.00 0.00 C ATOM 358 C ASP A 22 -2.096 -10.132 -5.699 1.00 0.00 C ATOM 359 O ASP A 22 -2.910 -9.499 -5.045 1.00 0.00 O ATOM 360 CB ASP A 22 -1.594 -11.982 -4.033 1.00 0.00 C ATOM 361 CG ASP A 22 -2.401 -13.048 -4.794 1.00 0.00 C ATOM 362 OD1 ASP A 22 -3.602 -12.830 -5.064 1.00 0.00 O ATOM 363 OD2 ASP A 22 -1.832 -14.101 -5.146 1.00 0.00 O ATOM 0 H ASP A 22 -0.301 -10.027 -3.150 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.338 -11.362 -5.698 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.793 -12.472 -3.480 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.242 -11.504 -3.299 1.00 0.00 H new ATOM 368 N PRO A 23 -2.175 -10.233 -7.071 1.00 0.00 N ATOM 369 CA PRO A 23 -3.149 -9.461 -7.888 1.00 0.00 C ATOM 370 C PRO A 23 -4.633 -9.741 -7.532 1.00 0.00 C ATOM 371 O PRO A 23 -5.462 -8.819 -7.575 1.00 0.00 O ATOM 372 CB PRO A 23 -2.819 -9.892 -9.342 1.00 0.00 C ATOM 373 CG PRO A 23 -2.096 -11.199 -9.211 1.00 0.00 C ATOM 374 CD PRO A 23 -1.309 -11.089 -7.932 1.00 0.00 C ATOM 0 HA PRO A 23 -3.051 -8.389 -7.715 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.727 -10.002 -9.936 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -2.199 -9.148 -9.842 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.796 -12.034 -9.172 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -1.439 -11.373 -10.064 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -1.134 -12.066 -7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -0.332 -10.635 -8.098 1.00 0.00 H new ATOM 382 N ASP A 24 -4.958 -11.003 -7.188 1.00 0.00 N ATOM 383 CA ASP A 24 -6.342 -11.415 -6.853 1.00 0.00 C ATOM 384 C ASP A 24 -6.754 -10.862 -5.484 1.00 0.00 C ATOM 385 O ASP A 24 -7.912 -10.481 -5.276 1.00 0.00 O ATOM 386 CB ASP A 24 -6.482 -12.962 -6.881 1.00 0.00 C ATOM 387 CG ASP A 24 -6.230 -13.566 -8.274 1.00 0.00 C ATOM 388 OD1 ASP A 24 -5.054 -13.806 -8.625 1.00 0.00 O ATOM 389 OD2 ASP A 24 -7.205 -13.797 -9.030 1.00 0.00 O ATOM 0 H ASP A 24 -4.278 -11.761 -7.134 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.010 -11.000 -7.608 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.779 -13.397 -6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.483 -13.236 -6.548 1.00 0.00 H new ATOM 394 N CYS A 25 -5.786 -10.821 -4.561 1.00 0.00 N ATOM 395 CA CYS A 25 -5.976 -10.234 -3.233 1.00 0.00 C ATOM 396 C CYS A 25 -6.192 -8.716 -3.363 1.00 0.00 C ATOM 397 O CYS A 25 -7.178 -8.180 -2.855 1.00 0.00 O ATOM 398 CB CYS A 25 -4.758 -10.550 -2.335 1.00 0.00 C ATOM 399 SG CYS A 25 -4.543 -12.314 -1.979 1.00 0.00 S ATOM 0 H CYS A 25 -4.849 -11.194 -4.715 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.860 -10.668 -2.766 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -3.856 -10.175 -2.818 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.863 -10.010 -1.394 1.00 0.00 H new ATOM 0 HG CYS A 25 -3.799 -12.456 -0.923 1.00 0.00 H new ATOM 405 N ILE A 26 -5.265 -8.053 -4.083 1.00 0.00 N ATOM 406 CA ILE A 26 -5.271 -6.596 -4.331 1.00 0.00 C ATOM 407 C ILE A 26 -6.578 -6.135 -4.996 1.00 0.00 C ATOM 408 O ILE A 26 -7.062 -5.035 -4.724 1.00 0.00 O ATOM 409 CB ILE A 26 -4.041 -6.180 -5.225 1.00 0.00 C ATOM 410 CG1 ILE A 26 -2.682 -6.464 -4.507 1.00 0.00 C ATOM 411 CG2 ILE A 26 -4.131 -4.699 -5.641 1.00 0.00 C ATOM 412 CD1 ILE A 26 -1.460 -6.239 -5.384 1.00 0.00 C ATOM 0 H ILE A 26 -4.473 -8.526 -4.518 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.194 -6.104 -3.361 1.00 0.00 H new ATOM 0 HB ILE A 26 -4.078 -6.793 -6.125 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -2.607 -5.825 -3.627 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.678 -7.495 -4.154 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.269 -4.441 -6.257 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.046 -4.536 -6.211 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -4.142 -4.071 -4.750 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.557 -6.457 -4.813 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.509 -6.897 -6.252 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -1.437 -5.201 -5.717 1.00 0.00 H new ATOM 424 N ALA A 27 -7.133 -6.993 -5.861 1.00 0.00 N ATOM 425 CA ALA A 27 -8.401 -6.715 -6.562 1.00 0.00 C ATOM 426 C ALA A 27 -9.570 -6.521 -5.570 1.00 0.00 C ATOM 427 O ALA A 27 -10.530 -5.796 -5.856 1.00 0.00 O ATOM 428 CB ALA A 27 -8.693 -7.848 -7.551 1.00 0.00 C ATOM 0 H ALA A 27 -6.721 -7.896 -6.097 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.299 -5.779 -7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.630 -7.645 -8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.883 -7.915 -8.277 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.775 -8.791 -7.010 1.00 0.00 H new ATOM 434 N ARG A 28 -9.453 -7.168 -4.398 1.00 0.00 N ATOM 435 CA ARG A 28 -10.465 -7.112 -3.334 1.00 0.00 C ATOM 436 C ARG A 28 -10.198 -5.925 -2.383 1.00 0.00 C ATOM 437 O ARG A 28 -11.092 -5.091 -2.179 1.00 0.00 O ATOM 438 CB ARG A 28 -10.495 -8.455 -2.577 1.00 0.00 C ATOM 439 CG ARG A 28 -11.619 -8.584 -1.526 1.00 0.00 C ATOM 440 CD ARG A 28 -11.745 -10.017 -0.984 1.00 0.00 C ATOM 441 NE ARG A 28 -12.829 -10.161 0.008 1.00 0.00 N ATOM 442 CZ ARG A 28 -13.228 -11.329 0.548 1.00 0.00 C ATOM 443 NH1 ARG A 28 -12.629 -12.470 0.203 1.00 0.00 N ATOM 444 NH2 ARG A 28 -14.227 -11.349 1.427 1.00 0.00 N ATOM 0 H ARG A 28 -8.648 -7.748 -4.163 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.446 -6.948 -3.780 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.601 -9.262 -3.302 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.535 -8.597 -2.080 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.422 -7.901 -0.700 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -12.567 -8.281 -1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.926 -10.700 -1.814 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -10.800 -10.312 -0.528 1.00 0.00 H new ATOM 0 HE ARG A 28 -13.312 -9.313 0.307 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.865 -12.461 -0.473 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.935 -13.352 0.615 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -14.691 -10.480 1.692 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.529 -12.233 1.836 1.00 0.00 H new ATOM 458 N TRP A 29 -8.974 -5.836 -1.790 1.00 0.00 N ATOM 459 CA TRP A 29 -8.598 -4.676 -0.926 1.00 0.00 C ATOM 460 C TRP A 29 -8.099 -3.497 -1.805 1.00 0.00 C ATOM 461 O TRP A 29 -8.357 -3.473 -3.010 1.00 0.00 O ATOM 462 CB TRP A 29 -7.564 -5.084 0.192 1.00 0.00 C ATOM 463 CG TRP A 29 -6.166 -5.460 -0.274 1.00 0.00 C ATOM 464 CD1 TRP A 29 -5.753 -6.683 -0.705 1.00 0.00 C ATOM 465 CD2 TRP A 29 -4.980 -4.624 -0.297 1.00 0.00 C ATOM 466 NE1 TRP A 29 -4.435 -6.642 -1.074 1.00 0.00 N ATOM 467 CE2 TRP A 29 -3.937 -5.398 -0.822 1.00 0.00 C ATOM 468 CE3 TRP A 29 -4.710 -3.293 0.051 1.00 0.00 C ATOM 469 CZ2 TRP A 29 -2.656 -4.896 -1.016 1.00 0.00 C ATOM 470 CZ3 TRP A 29 -3.433 -2.796 -0.136 1.00 0.00 C ATOM 471 CH2 TRP A 29 -2.420 -3.599 -0.668 1.00 0.00 C ATOM 0 H TRP A 29 -8.242 -6.539 -1.891 1.00 0.00 H new ATOM 0 HA TRP A 29 -9.487 -4.338 -0.393 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.477 -4.255 0.894 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -7.977 -5.928 0.745 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.378 -7.563 -0.750 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -3.909 -7.419 -1.474 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -5.488 -2.665 0.459 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.872 -5.513 -1.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -3.215 -1.773 0.133 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.432 -3.184 -0.806 1.00 0.00 H new ATOM 482 N ASN A 30 -7.492 -2.473 -1.160 1.00 0.00 N ATOM 483 CA ASN A 30 -6.780 -1.342 -1.825 1.00 0.00 C ATOM 484 C ASN A 30 -7.739 -0.232 -2.297 1.00 0.00 C ATOM 485 O ASN A 30 -7.430 0.955 -2.133 1.00 0.00 O ATOM 486 CB ASN A 30 -5.844 -1.814 -2.989 1.00 0.00 C ATOM 487 CG ASN A 30 -4.925 -0.719 -3.553 1.00 0.00 C ATOM 488 OD1 ASN A 30 -4.633 -0.700 -4.740 1.00 0.00 O ATOM 489 ND2 ASN A 30 -4.426 0.170 -2.697 1.00 0.00 N ATOM 0 H ASN A 30 -7.480 -2.403 -0.142 1.00 0.00 H new ATOM 0 HA ASN A 30 -6.140 -0.910 -1.055 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.228 -2.639 -2.631 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.461 -2.205 -3.798 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.783 0.890 -3.027 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.687 0.131 -1.712 1.00 0.00 H new ATOM 496 N ALA A 31 -8.886 -0.626 -2.887 1.00 0.00 N ATOM 497 CA ALA A 31 -9.947 0.302 -3.288 1.00 0.00 C ATOM 498 C ALA A 31 -10.389 1.159 -2.085 1.00 0.00 C ATOM 499 O ALA A 31 -10.702 0.614 -1.012 1.00 0.00 O ATOM 500 CB ALA A 31 -11.135 -0.479 -3.877 1.00 0.00 C ATOM 0 H ALA A 31 -9.097 -1.602 -3.097 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.563 0.972 -4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.919 0.219 -4.172 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.803 -1.043 -4.749 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.526 -1.167 -3.127 1.00 0.00 H new ATOM 506 N ALA A 32 -10.387 2.491 -2.282 1.00 0.00 N ATOM 507 CA ALA A 32 -10.659 3.484 -1.221 1.00 0.00 C ATOM 508 C ALA A 32 -12.052 3.300 -0.572 1.00 0.00 C ATOM 509 O ALA A 32 -12.259 3.686 0.583 1.00 0.00 O ATOM 510 CB ALA A 32 -10.510 4.900 -1.806 1.00 0.00 C ATOM 0 H ALA A 32 -10.195 2.914 -3.190 1.00 0.00 H new ATOM 0 HA ALA A 32 -9.931 3.332 -0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -10.709 5.638 -1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.495 5.034 -2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.220 5.033 -2.623 1.00 0.00 H new ATOM 516 N SER A 33 -12.981 2.689 -1.323 1.00 0.00 N ATOM 517 CA SER A 33 -14.349 2.418 -0.862 1.00 0.00 C ATOM 518 C SER A 33 -14.967 1.284 -1.697 1.00 0.00 C ATOM 519 O SER A 33 -14.329 0.780 -2.627 1.00 0.00 O ATOM 520 CB SER A 33 -15.194 3.706 -0.963 1.00 0.00 C ATOM 521 OG SER A 33 -15.259 4.181 -2.296 1.00 0.00 O ATOM 0 H SER A 33 -12.801 2.367 -2.274 1.00 0.00 H new ATOM 0 HA SER A 33 -14.329 2.100 0.180 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.202 3.511 -0.596 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.764 4.476 -0.322 1.00 0.00 H new ATOM 0 HG SER A 33 -14.363 4.445 -2.593 1.00 0.00 H new ATOM 527 N SER A 34 -16.200 0.870 -1.335 1.00 0.00 N ATOM 528 CA SER A 34 -16.982 -0.117 -2.114 1.00 0.00 C ATOM 529 C SER A 34 -17.521 0.517 -3.407 1.00 0.00 C ATOM 530 O SER A 34 -17.807 -0.185 -4.389 1.00 0.00 O ATOM 531 CB SER A 34 -18.152 -0.658 -1.262 1.00 0.00 C ATOM 532 OG SER A 34 -17.682 -1.284 -0.076 1.00 0.00 O ATOM 0 H SER A 34 -16.680 1.207 -0.500 1.00 0.00 H new ATOM 0 HA SER A 34 -16.324 -0.944 -2.382 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.824 0.160 -1.002 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.731 -1.372 -1.848 1.00 0.00 H new ATOM 0 HG SER A 34 -18.444 -1.615 0.443 1.00 0.00 H new ATOM 538 N ASP A 35 -17.663 1.857 -3.366 1.00 0.00 N ATOM 539 CA ASP A 35 -18.056 2.675 -4.526 1.00 0.00 C ATOM 540 C ASP A 35 -16.986 2.576 -5.618 1.00 0.00 C ATOM 541 O ASP A 35 -17.300 2.536 -6.809 1.00 0.00 O ATOM 542 CB ASP A 35 -18.263 4.149 -4.090 1.00 0.00 C ATOM 543 CG ASP A 35 -18.845 5.036 -5.203 1.00 0.00 C ATOM 544 OD1 ASP A 35 -18.068 5.597 -6.008 1.00 0.00 O ATOM 545 OD2 ASP A 35 -20.086 5.149 -5.307 1.00 0.00 O ATOM 0 H ASP A 35 -17.506 2.404 -2.519 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.997 2.301 -4.929 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.929 4.176 -3.228 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -17.308 4.563 -3.767 1.00 0.00 H new ATOM 550 N TRP A 36 -15.722 2.484 -5.175 1.00 0.00 N ATOM 551 CA TRP A 36 -14.558 2.351 -6.053 1.00 0.00 C ATOM 552 C TRP A 36 -14.184 0.869 -6.157 1.00 0.00 C ATOM 553 O TRP A 36 -14.445 0.081 -5.242 1.00 0.00 O ATOM 554 CB TRP A 36 -13.372 3.172 -5.509 1.00 0.00 C ATOM 555 CG TRP A 36 -13.541 4.672 -5.657 1.00 0.00 C ATOM 556 CD1 TRP A 36 -14.329 5.505 -4.911 1.00 0.00 C ATOM 557 CD2 TRP A 36 -12.897 5.508 -6.626 1.00 0.00 C ATOM 558 NE1 TRP A 36 -14.201 6.797 -5.347 1.00 0.00 N ATOM 559 CE2 TRP A 36 -13.329 6.828 -6.400 1.00 0.00 C ATOM 560 CE3 TRP A 36 -11.992 5.263 -7.656 1.00 0.00 C ATOM 561 CZ2 TRP A 36 -12.885 7.900 -7.169 1.00 0.00 C ATOM 562 CZ3 TRP A 36 -11.552 6.320 -8.414 1.00 0.00 C ATOM 563 CH2 TRP A 36 -11.995 7.628 -8.171 1.00 0.00 C ATOM 0 H TRP A 36 -15.481 2.501 -4.184 1.00 0.00 H new ATOM 0 HA TRP A 36 -14.802 2.736 -7.043 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -13.232 2.935 -4.454 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -12.463 2.866 -6.028 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -14.962 5.189 -4.095 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -14.679 7.606 -4.950 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -11.643 4.260 -7.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -13.230 8.906 -6.982 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -10.850 6.140 -9.214 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -11.627 8.435 -8.786 1.00 0.00 H new ATOM 574 N HIS A 37 -13.586 0.484 -7.285 1.00 0.00 N ATOM 575 CA HIS A 37 -13.258 -0.919 -7.579 1.00 0.00 C ATOM 576 C HIS A 37 -11.846 -0.994 -8.139 1.00 0.00 C ATOM 577 O HIS A 37 -11.548 -0.313 -9.128 1.00 0.00 O ATOM 578 CB HIS A 37 -14.279 -1.505 -8.593 1.00 0.00 C ATOM 579 CG HIS A 37 -15.704 -1.513 -8.089 1.00 0.00 C ATOM 580 ND1 HIS A 37 -16.211 -2.531 -7.317 1.00 0.00 N ATOM 581 CD2 HIS A 37 -16.703 -0.594 -8.194 1.00 0.00 C ATOM 582 CE1 HIS A 37 -17.446 -2.244 -6.965 1.00 0.00 C ATOM 583 NE2 HIS A 37 -17.772 -1.076 -7.479 1.00 0.00 N ATOM 0 H HIS A 37 -13.314 1.133 -8.023 1.00 0.00 H new ATOM 0 HA HIS A 37 -13.312 -1.508 -6.663 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -14.233 -0.927 -9.516 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -13.986 -2.525 -8.841 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -16.662 0.339 -8.737 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -18.087 -2.864 -6.355 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -18.670 -0.607 -7.365 1.00 0.00 H new ATOM 592 N THR A 38 -10.964 -1.774 -7.492 1.00 0.00 N ATOM 593 CA THR A 38 -9.659 -2.103 -8.068 1.00 0.00 C ATOM 594 C THR A 38 -9.913 -3.038 -9.272 1.00 0.00 C ATOM 595 O THR A 38 -10.208 -4.228 -9.099 1.00 0.00 O ATOM 596 CB THR A 38 -8.727 -2.785 -7.014 1.00 0.00 C ATOM 597 OG1 THR A 38 -8.711 -2.010 -5.802 1.00 0.00 O ATOM 598 CG2 THR A 38 -7.283 -2.940 -7.531 1.00 0.00 C ATOM 0 H THR A 38 -11.134 -2.185 -6.574 1.00 0.00 H new ATOM 0 HA THR A 38 -9.148 -1.195 -8.389 1.00 0.00 H new ATOM 0 HB THR A 38 -9.128 -3.781 -6.824 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.596 -2.607 -5.033 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.672 -3.418 -6.766 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.283 -3.554 -8.432 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.872 -1.957 -7.762 1.00 0.00 H new ATOM 606 N THR A 39 -9.846 -2.460 -10.479 1.00 0.00 N ATOM 607 CA THR A 39 -10.241 -3.118 -11.736 1.00 0.00 C ATOM 608 C THR A 39 -9.082 -3.942 -12.307 1.00 0.00 C ATOM 609 O THR A 39 -9.285 -4.925 -13.029 1.00 0.00 O ATOM 610 CB THR A 39 -10.685 -2.026 -12.769 1.00 0.00 C ATOM 611 OG1 THR A 39 -9.622 -1.070 -12.940 1.00 0.00 O ATOM 612 CG2 THR A 39 -11.949 -1.276 -12.311 1.00 0.00 C ATOM 0 H THR A 39 -9.510 -1.506 -10.614 1.00 0.00 H new ATOM 0 HA THR A 39 -11.071 -3.796 -11.537 1.00 0.00 H new ATOM 0 HB THR A 39 -10.909 -2.535 -13.707 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.552 -0.824 -13.886 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.220 -0.529 -13.058 1.00 0.00 H new ATOM 0 HG22 THR A 39 -12.769 -1.984 -12.192 1.00 0.00 H new ATOM 0 HG23 THR A 39 -11.754 -0.783 -11.359 1.00 0.00 H new ATOM 620 N GLY A 40 -7.867 -3.503 -11.966 1.00 0.00 N ATOM 621 CA GLY A 40 -6.641 -4.149 -12.394 1.00 0.00 C ATOM 622 C GLY A 40 -5.436 -3.473 -11.770 1.00 0.00 C ATOM 623 O GLY A 40 -5.446 -2.255 -11.581 1.00 0.00 O ATOM 0 H GLY A 40 -7.715 -2.682 -11.380 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.661 -5.202 -12.112 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.564 -4.111 -13.481 1.00 0.00 H new ATOM 627 N SER A 41 -4.404 -4.256 -11.441 1.00 0.00 N ATOM 628 CA SER A 41 -3.150 -3.743 -10.878 1.00 0.00 C ATOM 629 C SER A 41 -1.962 -4.468 -11.501 1.00 0.00 C ATOM 630 O SER A 41 -1.983 -5.695 -11.645 1.00 0.00 O ATOM 631 CB SER A 41 -3.122 -3.919 -9.344 1.00 0.00 C ATOM 632 OG SER A 41 -4.192 -3.232 -8.721 1.00 0.00 O ATOM 0 H SER A 41 -4.415 -5.269 -11.558 1.00 0.00 H new ATOM 0 HA SER A 41 -3.085 -2.679 -11.106 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.177 -4.979 -9.098 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.174 -3.550 -8.952 1.00 0.00 H new ATOM 0 HG SER A 41 -3.857 -2.743 -7.940 1.00 0.00 H new ATOM 638 N ARG A 42 -0.950 -3.697 -11.905 1.00 0.00 N ATOM 639 CA ARG A 42 0.385 -4.213 -12.236 1.00 0.00 C ATOM 640 C ARG A 42 1.286 -4.013 -11.013 1.00 0.00 C ATOM 641 O ARG A 42 1.105 -3.040 -10.276 1.00 0.00 O ATOM 642 CB ARG A 42 0.983 -3.466 -13.453 1.00 0.00 C ATOM 643 CG ARG A 42 0.107 -3.469 -14.727 1.00 0.00 C ATOM 644 CD ARG A 42 0.838 -2.872 -15.948 1.00 0.00 C ATOM 645 NE ARG A 42 1.350 -1.505 -15.698 1.00 0.00 N ATOM 646 CZ ARG A 42 2.639 -1.171 -15.500 1.00 0.00 C ATOM 647 NH1 ARG A 42 3.593 -2.102 -15.495 1.00 0.00 N ATOM 648 NH2 ARG A 42 2.956 0.092 -15.288 1.00 0.00 N ATOM 0 H ARG A 42 -1.033 -2.686 -12.013 1.00 0.00 H new ATOM 0 HA ARG A 42 0.313 -5.269 -12.496 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.174 -2.432 -13.166 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.948 -3.913 -13.694 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.196 -4.491 -14.953 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -0.804 -2.901 -14.539 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.669 -3.522 -16.222 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.157 -2.850 -16.799 1.00 0.00 H new ATOM 0 HE ARG A 42 0.665 -0.749 -15.674 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.350 -3.082 -15.642 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.566 -1.835 -15.344 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.227 0.805 -15.275 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.930 0.355 -15.137 1.00 0.00 H new ATOM 662 N VAL A 43 2.209 -4.951 -10.766 1.00 0.00 N ATOM 663 CA VAL A 43 3.236 -4.834 -9.717 1.00 0.00 C ATOM 664 C VAL A 43 4.553 -5.402 -10.272 1.00 0.00 C ATOM 665 O VAL A 43 4.726 -6.623 -10.354 1.00 0.00 O ATOM 666 CB VAL A 43 2.850 -5.589 -8.367 1.00 0.00 C ATOM 667 CG1 VAL A 43 3.978 -5.463 -7.311 1.00 0.00 C ATOM 668 CG2 VAL A 43 1.494 -5.102 -7.778 1.00 0.00 C ATOM 0 H VAL A 43 2.266 -5.822 -11.293 1.00 0.00 H new ATOM 0 HA VAL A 43 3.331 -3.779 -9.458 1.00 0.00 H new ATOM 0 HB VAL A 43 2.730 -6.641 -8.625 1.00 0.00 H new ATOM 0 HG11 VAL A 43 3.685 -5.988 -6.402 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.895 -5.902 -7.704 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.148 -4.411 -7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.279 -5.648 -6.860 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.554 -4.036 -7.560 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.698 -5.280 -8.501 1.00 0.00 H new ATOM 678 N ASP A 44 5.467 -4.520 -10.701 1.00 0.00 N ATOM 679 CA ASP A 44 6.792 -4.938 -11.196 1.00 0.00 C ATOM 680 C ASP A 44 7.754 -4.901 -10.009 1.00 0.00 C ATOM 681 O ASP A 44 8.510 -3.941 -9.852 1.00 0.00 O ATOM 682 CB ASP A 44 7.279 -4.024 -12.362 1.00 0.00 C ATOM 683 CG ASP A 44 6.300 -3.934 -13.551 1.00 0.00 C ATOM 684 OD1 ASP A 44 5.687 -4.957 -13.922 1.00 0.00 O ATOM 685 OD2 ASP A 44 6.169 -2.840 -14.155 1.00 0.00 O ATOM 0 H ASP A 44 5.315 -3.511 -10.716 1.00 0.00 H new ATOM 0 HA ASP A 44 6.743 -5.946 -11.607 1.00 0.00 H new ATOM 0 HB2 ASP A 44 7.453 -3.021 -11.973 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.238 -4.396 -12.723 1.00 0.00 H new ATOM 690 N LEU A 45 7.665 -5.947 -9.158 1.00 0.00 N ATOM 691 CA LEU A 45 8.304 -5.997 -7.819 1.00 0.00 C ATOM 692 C LEU A 45 9.837 -6.240 -7.923 1.00 0.00 C ATOM 693 O LEU A 45 10.359 -7.294 -7.538 1.00 0.00 O ATOM 694 CB LEU A 45 7.593 -7.099 -6.967 1.00 0.00 C ATOM 695 CG LEU A 45 7.965 -7.171 -5.447 1.00 0.00 C ATOM 696 CD1 LEU A 45 7.506 -5.907 -4.693 1.00 0.00 C ATOM 697 CD2 LEU A 45 7.402 -8.456 -4.790 1.00 0.00 C ATOM 0 H LEU A 45 7.141 -6.793 -9.382 1.00 0.00 H new ATOM 0 HA LEU A 45 8.187 -5.033 -7.325 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.517 -6.947 -7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.811 -8.068 -7.416 1.00 0.00 H new ATOM 0 HG LEU A 45 9.052 -7.215 -5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.780 -5.991 -3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.989 -5.030 -5.125 1.00 0.00 H new ATOM 0 HD13 LEU A 45 6.424 -5.805 -4.779 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.677 -8.476 -3.736 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.316 -8.466 -4.882 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.816 -9.332 -5.290 1.00 0.00 H new ATOM 709 N VAL A 46 10.525 -5.238 -8.490 1.00 0.00 N ATOM 710 CA VAL A 46 11.977 -5.189 -8.723 1.00 0.00 C ATOM 711 C VAL A 46 12.443 -3.734 -8.529 1.00 0.00 C ATOM 712 O VAL A 46 11.649 -2.804 -8.732 1.00 0.00 O ATOM 713 CB VAL A 46 12.364 -5.679 -10.179 1.00 0.00 C ATOM 714 CG1 VAL A 46 12.192 -7.209 -10.337 1.00 0.00 C ATOM 715 CG2 VAL A 46 11.557 -4.917 -11.265 1.00 0.00 C ATOM 0 H VAL A 46 10.057 -4.392 -8.817 1.00 0.00 H new ATOM 0 HA VAL A 46 12.467 -5.859 -8.017 1.00 0.00 H new ATOM 0 HB VAL A 46 13.420 -5.451 -10.321 1.00 0.00 H new ATOM 0 HG11 VAL A 46 12.468 -7.503 -11.350 1.00 0.00 H new ATOM 0 HG12 VAL A 46 12.834 -7.723 -9.622 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.153 -7.479 -10.151 1.00 0.00 H new ATOM 0 HG21 VAL A 46 11.846 -5.277 -12.252 1.00 0.00 H new ATOM 0 HG22 VAL A 46 10.491 -5.089 -11.114 1.00 0.00 H new ATOM 0 HG23 VAL A 46 11.766 -3.850 -11.192 1.00 0.00 H new ATOM 725 N VAL A 47 13.712 -3.528 -8.148 1.00 0.00 N ATOM 726 CA VAL A 47 14.283 -2.176 -7.982 1.00 0.00 C ATOM 727 C VAL A 47 14.440 -1.520 -9.369 1.00 0.00 C ATOM 728 O VAL A 47 15.318 -1.898 -10.148 1.00 0.00 O ATOM 729 CB VAL A 47 15.660 -2.210 -7.226 1.00 0.00 C ATOM 730 CG1 VAL A 47 16.285 -0.795 -7.126 1.00 0.00 C ATOM 731 CG2 VAL A 47 15.506 -2.848 -5.827 1.00 0.00 C ATOM 0 H VAL A 47 14.368 -4.282 -7.947 1.00 0.00 H new ATOM 0 HA VAL A 47 13.601 -1.586 -7.370 1.00 0.00 H new ATOM 0 HB VAL A 47 16.342 -2.831 -7.808 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.236 -0.854 -6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.450 -0.399 -8.128 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.608 -0.136 -6.582 1.00 0.00 H new ATOM 0 HG21 VAL A 47 16.473 -2.860 -5.324 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.798 -2.266 -5.238 1.00 0.00 H new ATOM 0 HG23 VAL A 47 15.139 -3.869 -5.931 1.00 0.00 H new ATOM 741 N GLY A 48 13.546 -0.577 -9.668 1.00 0.00 N ATOM 742 CA GLY A 48 13.491 0.097 -10.962 1.00 0.00 C ATOM 743 C GLY A 48 12.154 -0.116 -11.638 1.00 0.00 C ATOM 744 O GLY A 48 11.756 0.675 -12.494 1.00 0.00 O ATOM 0 H GLY A 48 12.834 -0.258 -9.011 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.666 1.164 -10.826 1.00 0.00 H new ATOM 0 HA3 GLY A 48 14.289 -0.278 -11.603 1.00 0.00 H new ATOM 748 N GLY A 49 11.457 -1.198 -11.248 1.00 0.00 N ATOM 749 CA GLY A 49 10.108 -1.469 -11.738 1.00 0.00 C ATOM 750 C GLY A 49 9.081 -0.533 -11.133 1.00 0.00 C ATOM 751 O GLY A 49 9.404 0.245 -10.237 1.00 0.00 O ATOM 0 H GLY A 49 11.812 -1.895 -10.594 1.00 0.00 H new ATOM 0 HA2 GLY A 49 10.091 -1.372 -12.824 1.00 0.00 H new ATOM 0 HA3 GLY A 49 9.839 -2.500 -11.506 1.00 0.00 H new ATOM 755 N ARG A 50 7.838 -0.591 -11.621 1.00 0.00 N ATOM 756 CA ARG A 50 6.743 0.263 -11.120 1.00 0.00 C ATOM 757 C ARG A 50 5.465 -0.557 -10.948 1.00 0.00 C ATOM 758 O ARG A 50 5.226 -1.521 -11.680 1.00 0.00 O ATOM 759 CB ARG A 50 6.503 1.464 -12.082 1.00 0.00 C ATOM 760 CG ARG A 50 5.470 2.501 -11.588 1.00 0.00 C ATOM 761 CD ARG A 50 5.251 3.646 -12.588 1.00 0.00 C ATOM 762 NE ARG A 50 4.621 3.183 -13.848 1.00 0.00 N ATOM 763 CZ ARG A 50 5.181 3.226 -15.075 1.00 0.00 C ATOM 764 NH1 ARG A 50 6.407 3.704 -15.243 1.00 0.00 N ATOM 765 NH2 ARG A 50 4.496 2.792 -16.128 1.00 0.00 N ATOM 0 H ARG A 50 7.558 -1.225 -12.369 1.00 0.00 H new ATOM 0 HA ARG A 50 7.030 0.660 -10.146 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.453 1.971 -12.249 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.174 1.077 -13.047 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.520 2.000 -11.402 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.804 2.915 -10.636 1.00 0.00 H new ATOM 0 HD2 ARG A 50 4.622 4.410 -12.130 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.208 4.115 -12.815 1.00 0.00 H new ATOM 0 HE ARG A 50 3.679 2.797 -13.781 1.00 0.00 H new ATOM 0 HH11 ARG A 50 6.936 4.044 -14.440 1.00 0.00 H new ATOM 0 HH12 ARG A 50 6.820 3.732 -16.175 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.551 2.428 -16.007 1.00 0.00 H new ATOM 0 HH22 ARG A 50 4.915 2.823 -17.057 1.00 0.00 H new ATOM 779 N PHE A 51 4.639 -0.159 -9.977 1.00 0.00 N ATOM 780 CA PHE A 51 3.291 -0.704 -9.816 1.00 0.00 C ATOM 781 C PHE A 51 2.277 0.375 -10.169 1.00 0.00 C ATOM 782 O PHE A 51 2.601 1.575 -10.159 1.00 0.00 O ATOM 783 CB PHE A 51 3.047 -1.249 -8.369 1.00 0.00 C ATOM 784 CG PHE A 51 2.977 -0.210 -7.234 1.00 0.00 C ATOM 785 CD1 PHE A 51 1.834 0.559 -7.029 1.00 0.00 C ATOM 786 CD2 PHE A 51 4.035 -0.030 -6.360 1.00 0.00 C ATOM 787 CE1 PHE A 51 1.754 1.466 -6.005 1.00 0.00 C ATOM 788 CE2 PHE A 51 3.955 0.872 -5.334 1.00 0.00 C ATOM 789 CZ PHE A 51 2.811 1.624 -5.155 1.00 0.00 C ATOM 0 H PHE A 51 4.886 0.547 -9.284 1.00 0.00 H new ATOM 0 HA PHE A 51 3.176 -1.553 -10.490 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.113 -1.811 -8.372 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.844 -1.955 -8.134 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.991 0.438 -7.693 1.00 0.00 H new ATOM 0 HD2 PHE A 51 4.937 -0.610 -6.490 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.858 2.054 -5.871 1.00 0.00 H new ATOM 0 HE2 PHE A 51 4.791 0.996 -4.661 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.752 2.336 -4.345 1.00 0.00 H new ATOM 799 N CYS A 52 1.050 -0.050 -10.456 1.00 0.00 N ATOM 800 CA CYS A 52 -0.045 0.852 -10.780 1.00 0.00 C ATOM 801 C CYS A 52 -1.373 0.137 -10.535 1.00 0.00 C ATOM 802 O CYS A 52 -1.636 -0.903 -11.139 1.00 0.00 O ATOM 803 CB CYS A 52 0.094 1.318 -12.239 1.00 0.00 C ATOM 804 SG CYS A 52 0.159 -0.027 -13.438 1.00 0.00 S ATOM 0 H CYS A 52 0.788 -1.036 -10.470 1.00 0.00 H new ATOM 0 HA CYS A 52 -0.015 1.736 -10.143 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.746 1.968 -12.483 1.00 0.00 H new ATOM 0 HB3 CYS A 52 0.999 1.918 -12.333 1.00 0.00 H new ATOM 0 HG CYS A 52 -0.618 -0.993 -13.049 1.00 0.00 H new ATOM 810 N HIS A 53 -2.185 0.678 -9.620 1.00 0.00 N ATOM 811 CA HIS A 53 -3.480 0.102 -9.237 1.00 0.00 C ATOM 812 C HIS A 53 -4.592 0.965 -9.825 1.00 0.00 C ATOM 813 O HIS A 53 -4.892 2.042 -9.290 1.00 0.00 O ATOM 814 CB HIS A 53 -3.620 0.039 -7.697 1.00 0.00 C ATOM 815 CG HIS A 53 -2.523 -0.723 -7.007 1.00 0.00 C ATOM 816 ND1 HIS A 53 -2.664 -2.008 -6.561 1.00 0.00 N ATOM 817 CD2 HIS A 53 -1.274 -0.359 -6.669 1.00 0.00 C ATOM 818 CE1 HIS A 53 -1.547 -2.404 -5.975 1.00 0.00 C ATOM 819 NE2 HIS A 53 -0.688 -1.420 -6.030 1.00 0.00 N ATOM 0 H HIS A 53 -1.960 1.537 -9.119 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.549 -0.915 -9.624 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -3.643 1.055 -7.304 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.577 -0.420 -7.449 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -0.815 0.598 -6.866 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -1.374 -3.372 -5.528 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.262 -1.439 -5.659 1.00 0.00 H new ATOM 828 N HIS A 54 -5.166 0.527 -10.953 1.00 0.00 N ATOM 829 CA HIS A 54 -6.265 1.244 -11.587 1.00 0.00 C ATOM 830 C HIS A 54 -7.550 0.989 -10.795 1.00 0.00 C ATOM 831 O HIS A 54 -7.975 -0.161 -10.611 1.00 0.00 O ATOM 832 CB HIS A 54 -6.435 0.838 -13.067 1.00 0.00 C ATOM 833 CG HIS A 54 -7.438 1.692 -13.816 1.00 0.00 C ATOM 834 ND1 HIS A 54 -8.802 1.588 -13.635 1.00 0.00 N ATOM 835 CD2 HIS A 54 -7.265 2.688 -14.717 1.00 0.00 C ATOM 836 CE1 HIS A 54 -9.414 2.478 -14.381 1.00 0.00 C ATOM 837 NE2 HIS A 54 -8.509 3.162 -15.049 1.00 0.00 N ATOM 0 H HIS A 54 -4.882 -0.323 -11.441 1.00 0.00 H new ATOM 0 HA HIS A 54 -6.039 2.310 -11.580 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -5.469 0.904 -13.567 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -6.749 -0.205 -13.116 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -9.264 0.922 -13.016 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -6.321 3.044 -15.103 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -10.482 2.625 -14.437 1.00 0.00 H new ATOM 846 N MET A 55 -8.141 2.081 -10.341 1.00 0.00 N ATOM 847 CA MET A 55 -9.372 2.099 -9.559 1.00 0.00 C ATOM 848 C MET A 55 -10.420 2.853 -10.370 1.00 0.00 C ATOM 849 O MET A 55 -10.083 3.822 -11.065 1.00 0.00 O ATOM 850 CB MET A 55 -9.156 2.815 -8.197 1.00 0.00 C ATOM 851 CG MET A 55 -8.077 2.211 -7.289 1.00 0.00 C ATOM 852 SD MET A 55 -7.871 3.165 -5.765 1.00 0.00 S ATOM 853 CE MET A 55 -6.460 2.358 -5.015 1.00 0.00 C ATOM 0 H MET A 55 -7.766 3.014 -10.511 1.00 0.00 H new ATOM 0 HA MET A 55 -9.692 1.078 -9.352 1.00 0.00 H new ATOM 0 HB2 MET A 55 -8.899 3.856 -8.392 1.00 0.00 H new ATOM 0 HB3 MET A 55 -10.102 2.816 -7.655 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.344 1.183 -7.042 1.00 0.00 H new ATOM 0 HG3 MET A 55 -7.129 2.174 -7.826 1.00 0.00 H new ATOM 0 HE1 MET A 55 -6.223 2.844 -4.069 1.00 0.00 H new ATOM 0 HE2 MET A 55 -6.694 1.309 -4.835 1.00 0.00 H new ATOM 0 HE3 MET A 55 -5.602 2.429 -5.684 1.00 0.00 H new ATOM 863 N ALA A 56 -11.673 2.414 -10.301 1.00 0.00 N ATOM 864 CA ALA A 56 -12.786 3.104 -10.954 1.00 0.00 C ATOM 865 C ALA A 56 -14.086 2.796 -10.230 1.00 0.00 C ATOM 866 O ALA A 56 -14.334 1.651 -9.833 1.00 0.00 O ATOM 867 CB ALA A 56 -12.885 2.714 -12.441 1.00 0.00 C ATOM 0 H ALA A 56 -11.947 1.573 -9.793 1.00 0.00 H new ATOM 0 HA ALA A 56 -12.602 4.177 -10.905 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.721 3.242 -12.901 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -11.960 2.985 -12.951 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.044 1.639 -12.525 1.00 0.00 H new ATOM 873 N ALA A 57 -14.901 3.836 -10.039 1.00 0.00 N ATOM 874 CA ALA A 57 -16.274 3.704 -9.559 1.00 0.00 C ATOM 875 C ALA A 57 -17.122 2.930 -10.593 1.00 0.00 C ATOM 876 O ALA A 57 -16.788 2.941 -11.776 1.00 0.00 O ATOM 877 CB ALA A 57 -16.837 5.092 -9.274 1.00 0.00 C ATOM 0 H ALA A 57 -14.622 4.801 -10.215 1.00 0.00 H new ATOM 0 HA ALA A 57 -16.299 3.132 -8.631 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -17.862 5.002 -8.915 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -16.228 5.583 -8.514 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.823 5.685 -10.189 1.00 0.00 H new ATOM 883 N LYS A 58 -18.206 2.272 -10.132 1.00 0.00 N ATOM 884 CA LYS A 58 -18.960 1.254 -10.904 1.00 0.00 C ATOM 885 C LYS A 58 -19.377 1.686 -12.334 1.00 0.00 C ATOM 886 O LYS A 58 -19.253 0.898 -13.277 1.00 0.00 O ATOM 887 CB LYS A 58 -20.209 0.812 -10.109 1.00 0.00 C ATOM 888 CG LYS A 58 -20.940 -0.401 -10.714 1.00 0.00 C ATOM 889 CD LYS A 58 -22.260 -0.724 -9.995 1.00 0.00 C ATOM 890 CE LYS A 58 -22.944 -1.952 -10.609 1.00 0.00 C ATOM 891 NZ LYS A 58 -24.301 -2.194 -10.040 1.00 0.00 N ATOM 0 H LYS A 58 -18.590 2.433 -9.201 1.00 0.00 H new ATOM 0 HA LYS A 58 -18.265 0.425 -11.042 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -19.911 0.572 -9.088 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -20.904 1.649 -10.049 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -21.144 -0.208 -11.767 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -20.286 -1.272 -10.670 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -22.066 -0.904 -8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -22.928 0.135 -10.055 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -23.025 -1.818 -11.688 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -22.322 -2.831 -10.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -24.720 -3.034 -10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -24.225 -2.350 -9.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -24.906 -1.367 -10.221 1.00 0.00 H new ATOM 905 N ASP A 59 -19.867 2.929 -12.490 1.00 0.00 N ATOM 906 CA ASP A 59 -20.318 3.445 -13.813 1.00 0.00 C ATOM 907 C ASP A 59 -19.098 3.718 -14.714 1.00 0.00 C ATOM 908 O ASP A 59 -19.199 3.665 -15.941 1.00 0.00 O ATOM 909 CB ASP A 59 -21.143 4.757 -13.656 1.00 0.00 C ATOM 910 CG ASP A 59 -22.224 4.667 -12.570 1.00 0.00 C ATOM 911 OD1 ASP A 59 -23.332 4.161 -12.847 1.00 0.00 O ATOM 912 OD2 ASP A 59 -21.955 5.085 -11.423 1.00 0.00 O ATOM 0 H ASP A 59 -19.964 3.598 -11.726 1.00 0.00 H new ATOM 0 HA ASP A 59 -20.955 2.686 -14.268 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -20.466 5.578 -13.418 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -21.614 4.998 -14.609 1.00 0.00 H new ATOM 917 N GLY A 60 -17.945 3.998 -14.072 1.00 0.00 N ATOM 918 CA GLY A 60 -16.695 4.340 -14.769 1.00 0.00 C ATOM 919 C GLY A 60 -16.537 5.848 -14.938 1.00 0.00 C ATOM 920 O GLY A 60 -15.723 6.314 -15.737 1.00 0.00 O ATOM 0 H GLY A 60 -17.858 3.992 -13.056 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.847 3.946 -14.209 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.681 3.861 -15.748 1.00 0.00 H new ATOM 924 N SER A 61 -17.334 6.609 -14.160 1.00 0.00 N ATOM 925 CA SER A 61 -17.394 8.082 -14.235 1.00 0.00 C ATOM 926 C SER A 61 -16.196 8.733 -13.514 1.00 0.00 C ATOM 927 O SER A 61 -15.649 9.742 -13.979 1.00 0.00 O ATOM 928 CB SER A 61 -18.733 8.558 -13.632 1.00 0.00 C ATOM 929 OG SER A 61 -18.857 9.969 -13.625 1.00 0.00 O ATOM 0 H SER A 61 -17.959 6.215 -13.457 1.00 0.00 H new ATOM 0 HA SER A 61 -17.337 8.389 -15.279 1.00 0.00 H new ATOM 0 HB2 SER A 61 -19.557 8.128 -14.201 1.00 0.00 H new ATOM 0 HB3 SER A 61 -18.821 8.184 -12.612 1.00 0.00 H new ATOM 0 HG SER A 61 -19.721 10.220 -13.236 1.00 0.00 H new ATOM 935 N ALA A 62 -15.792 8.138 -12.380 1.00 0.00 N ATOM 936 CA ALA A 62 -14.622 8.589 -11.596 1.00 0.00 C ATOM 937 C ALA A 62 -13.565 7.477 -11.573 1.00 0.00 C ATOM 938 O ALA A 62 -13.883 6.330 -11.246 1.00 0.00 O ATOM 939 CB ALA A 62 -15.046 8.975 -10.173 1.00 0.00 C ATOM 0 H ALA A 62 -16.266 7.329 -11.977 1.00 0.00 H new ATOM 0 HA ALA A 62 -14.191 9.474 -12.065 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -14.173 9.304 -9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -15.775 9.784 -10.217 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -15.491 8.111 -9.679 1.00 0.00 H new ATOM 945 N GLY A 63 -12.317 7.833 -11.935 1.00 0.00 N ATOM 946 CA GLY A 63 -11.190 6.894 -11.974 1.00 0.00 C ATOM 947 C GLY A 63 -9.926 7.489 -11.375 1.00 0.00 C ATOM 948 O GLY A 63 -9.757 8.710 -11.369 1.00 0.00 O ATOM 0 H GLY A 63 -12.066 8.783 -12.208 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -11.456 5.987 -11.430 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.998 6.602 -13.006 1.00 0.00 H new ATOM 952 N PHE A 64 -9.037 6.615 -10.883 1.00 0.00 N ATOM 953 CA PHE A 64 -7.788 6.984 -10.193 1.00 0.00 C ATOM 954 C PHE A 64 -6.731 5.912 -10.479 1.00 0.00 C ATOM 955 O PHE A 64 -7.062 4.730 -10.572 1.00 0.00 O ATOM 956 CB PHE A 64 -8.052 7.115 -8.665 1.00 0.00 C ATOM 957 CG PHE A 64 -6.832 7.493 -7.814 1.00 0.00 C ATOM 958 CD1 PHE A 64 -6.352 8.803 -7.800 1.00 0.00 C ATOM 959 CD2 PHE A 64 -6.169 6.542 -7.030 1.00 0.00 C ATOM 960 CE1 PHE A 64 -5.254 9.149 -7.034 1.00 0.00 C ATOM 961 CE2 PHE A 64 -5.073 6.891 -6.264 1.00 0.00 C ATOM 962 CZ PHE A 64 -4.612 8.193 -6.268 1.00 0.00 C ATOM 0 H PHE A 64 -9.168 5.606 -10.954 1.00 0.00 H new ATOM 0 HA PHE A 64 -7.425 7.945 -10.556 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -8.827 7.866 -8.511 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -8.448 6.168 -8.300 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -6.845 9.557 -8.396 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.519 5.520 -7.024 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -4.897 10.168 -7.034 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.576 6.145 -5.662 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.752 8.464 -5.674 1.00 0.00 H new ATOM 972 N ASP A 65 -5.467 6.318 -10.631 1.00 0.00 N ATOM 973 CA ASP A 65 -4.344 5.391 -10.857 1.00 0.00 C ATOM 974 C ASP A 65 -3.336 5.538 -9.712 1.00 0.00 C ATOM 975 O ASP A 65 -2.667 6.564 -9.603 1.00 0.00 O ATOM 976 CB ASP A 65 -3.671 5.679 -12.229 1.00 0.00 C ATOM 977 CG ASP A 65 -4.576 5.347 -13.434 1.00 0.00 C ATOM 978 OD1 ASP A 65 -5.359 6.214 -13.867 1.00 0.00 O ATOM 979 OD2 ASP A 65 -4.512 4.211 -13.955 1.00 0.00 O ATOM 0 H ASP A 65 -5.189 7.299 -10.601 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.714 4.366 -10.878 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.389 6.731 -12.274 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.751 5.099 -12.304 1.00 0.00 H new ATOM 984 N PHE A 66 -3.255 4.515 -8.844 1.00 0.00 N ATOM 985 CA PHE A 66 -2.332 4.506 -7.696 1.00 0.00 C ATOM 986 C PHE A 66 -0.987 3.896 -8.140 1.00 0.00 C ATOM 987 O PHE A 66 -0.783 2.676 -8.078 1.00 0.00 O ATOM 988 CB PHE A 66 -2.955 3.741 -6.491 1.00 0.00 C ATOM 989 CG PHE A 66 -2.024 3.585 -5.287 1.00 0.00 C ATOM 990 CD1 PHE A 66 -1.273 4.665 -4.827 1.00 0.00 C ATOM 991 CD2 PHE A 66 -1.881 2.361 -4.637 1.00 0.00 C ATOM 992 CE1 PHE A 66 -0.412 4.521 -3.767 1.00 0.00 C ATOM 993 CE2 PHE A 66 -1.022 2.220 -3.566 1.00 0.00 C ATOM 994 CZ PHE A 66 -0.282 3.300 -3.133 1.00 0.00 C ATOM 0 H PHE A 66 -3.826 3.673 -8.918 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.153 5.526 -7.356 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.856 4.264 -6.172 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.263 2.751 -6.826 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.369 5.626 -5.310 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.451 1.509 -4.977 1.00 0.00 H new ATOM 0 HE1 PHE A 66 0.167 5.367 -3.427 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -0.930 1.266 -3.068 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.397 3.192 -2.300 1.00 0.00 H new ATOM 1004 N THR A 67 -0.086 4.767 -8.607 1.00 0.00 N ATOM 1005 CA THR A 67 1.228 4.374 -9.132 1.00 0.00 C ATOM 1006 C THR A 67 2.328 4.485 -8.056 1.00 0.00 C ATOM 1007 O THR A 67 2.106 5.054 -6.975 1.00 0.00 O ATOM 1008 CB THR A 67 1.583 5.275 -10.354 1.00 0.00 C ATOM 1009 OG1 THR A 67 1.538 6.655 -9.957 1.00 0.00 O ATOM 1010 CG2 THR A 67 0.613 5.053 -11.533 1.00 0.00 C ATOM 0 H THR A 67 -0.249 5.774 -8.632 1.00 0.00 H new ATOM 0 HA THR A 67 1.176 3.330 -9.441 1.00 0.00 H new ATOM 0 HB THR A 67 2.585 5.005 -10.688 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.887 7.215 -10.681 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.896 5.700 -12.364 1.00 0.00 H new ATOM 0 HG22 THR A 67 0.660 4.012 -11.852 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.403 5.290 -11.218 1.00 0.00 H new ATOM 1018 N GLY A 68 3.502 3.904 -8.360 1.00 0.00 N ATOM 1019 CA GLY A 68 4.669 3.993 -7.486 1.00 0.00 C ATOM 1020 C GLY A 68 5.828 3.171 -8.014 1.00 0.00 C ATOM 1021 O GLY A 68 5.718 1.948 -8.122 1.00 0.00 O ATOM 0 H GLY A 68 3.661 3.366 -9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.975 5.035 -7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.403 3.647 -6.487 1.00 0.00 H new ATOM 1025 N THR A 69 6.936 3.837 -8.363 1.00 0.00 N ATOM 1026 CA THR A 69 8.134 3.182 -8.887 1.00 0.00 C ATOM 1027 C THR A 69 8.988 2.694 -7.715 1.00 0.00 C ATOM 1028 O THR A 69 9.379 3.499 -6.864 1.00 0.00 O ATOM 1029 CB THR A 69 8.968 4.172 -9.766 1.00 0.00 C ATOM 1030 OG1 THR A 69 8.100 4.810 -10.716 1.00 0.00 O ATOM 1031 CG2 THR A 69 10.115 3.464 -10.521 1.00 0.00 C ATOM 0 H THR A 69 7.024 4.850 -8.288 1.00 0.00 H new ATOM 0 HA THR A 69 7.833 2.339 -9.509 1.00 0.00 H new ATOM 0 HB THR A 69 9.417 4.907 -9.098 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.619 5.432 -11.267 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.664 4.194 -11.116 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.791 3.000 -9.803 1.00 0.00 H new ATOM 0 HG23 THR A 69 9.701 2.698 -11.177 1.00 0.00 H new ATOM 1039 N PHE A 70 9.272 1.389 -7.692 1.00 0.00 N ATOM 1040 CA PHE A 70 10.076 0.750 -6.653 1.00 0.00 C ATOM 1041 C PHE A 70 11.518 1.277 -6.695 1.00 0.00 C ATOM 1042 O PHE A 70 12.253 1.033 -7.657 1.00 0.00 O ATOM 1043 CB PHE A 70 10.070 -0.782 -6.837 1.00 0.00 C ATOM 1044 CG PHE A 70 8.684 -1.429 -6.783 1.00 0.00 C ATOM 1045 CD1 PHE A 70 8.143 -1.839 -5.579 1.00 0.00 C ATOM 1046 CD2 PHE A 70 7.938 -1.643 -7.937 1.00 0.00 C ATOM 1047 CE1 PHE A 70 6.904 -2.446 -5.525 1.00 0.00 C ATOM 1048 CE2 PHE A 70 6.700 -2.246 -7.884 1.00 0.00 C ATOM 1049 CZ PHE A 70 6.186 -2.651 -6.676 1.00 0.00 C ATOM 0 H PHE A 70 8.944 0.739 -8.406 1.00 0.00 H new ATOM 0 HA PHE A 70 9.641 0.990 -5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.530 -1.021 -7.796 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.695 -1.229 -6.064 1.00 0.00 H new ATOM 0 HD1 PHE A 70 8.698 -1.682 -4.666 1.00 0.00 H new ATOM 0 HD2 PHE A 70 8.336 -1.331 -8.891 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.499 -2.760 -4.574 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.134 -2.400 -8.791 1.00 0.00 H new ATOM 0 HZ PHE A 70 5.219 -3.130 -6.633 1.00 0.00 H new ATOM 1059 N THR A 71 11.881 2.029 -5.663 1.00 0.00 N ATOM 1060 CA THR A 71 13.226 2.580 -5.497 1.00 0.00 C ATOM 1061 C THR A 71 14.124 1.568 -4.769 1.00 0.00 C ATOM 1062 O THR A 71 15.347 1.566 -4.950 1.00 0.00 O ATOM 1063 CB THR A 71 13.147 3.915 -4.705 1.00 0.00 C ATOM 1064 OG1 THR A 71 12.467 3.692 -3.461 1.00 0.00 O ATOM 1065 CG2 THR A 71 12.397 4.996 -5.501 1.00 0.00 C ATOM 0 H THR A 71 11.244 2.278 -4.907 1.00 0.00 H new ATOM 0 HA THR A 71 13.660 2.779 -6.477 1.00 0.00 H new ATOM 0 HB THR A 71 14.164 4.263 -4.526 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.418 4.533 -2.960 1.00 0.00 H new ATOM 0 HG21 THR A 71 12.360 5.917 -4.919 1.00 0.00 H new ATOM 0 HG22 THR A 71 12.917 5.182 -6.441 1.00 0.00 H new ATOM 0 HG23 THR A 71 11.382 4.657 -5.708 1.00 0.00 H new ATOM 1073 N ARG A 72 13.491 0.711 -3.949 1.00 0.00 N ATOM 1074 CA ARG A 72 14.158 -0.388 -3.243 1.00 0.00 C ATOM 1075 C ARG A 72 13.108 -1.420 -2.773 1.00 0.00 C ATOM 1076 O ARG A 72 12.112 -1.062 -2.146 1.00 0.00 O ATOM 1077 CB ARG A 72 15.004 0.151 -2.050 1.00 0.00 C ATOM 1078 CG ARG A 72 15.585 -0.950 -1.148 1.00 0.00 C ATOM 1079 CD ARG A 72 16.631 -0.446 -0.133 1.00 0.00 C ATOM 1080 NE ARG A 72 17.950 -0.215 -0.745 1.00 0.00 N ATOM 1081 CZ ARG A 72 18.976 -1.085 -0.722 1.00 0.00 C ATOM 1082 NH1 ARG A 72 18.865 -2.252 -0.105 1.00 0.00 N ATOM 1083 NH2 ARG A 72 20.112 -0.774 -1.307 1.00 0.00 N ATOM 0 H ARG A 72 12.491 0.766 -3.758 1.00 0.00 H new ATOM 0 HA ARG A 72 14.846 -0.885 -3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.822 0.755 -2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.382 0.811 -1.446 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.769 -1.428 -0.606 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.043 -1.715 -1.775 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.277 0.481 0.318 1.00 0.00 H new ATOM 0 HD3 ARG A 72 16.731 -1.174 0.672 1.00 0.00 H new ATOM 0 HE ARG A 72 18.097 0.674 -1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 72 17.993 -2.501 0.361 1.00 0.00 H new ATOM 0 HH12 ARG A 72 19.652 -2.901 -0.096 1.00 0.00 H new ATOM 0 HH21 ARG A 72 20.214 0.125 -1.777 1.00 0.00 H new ATOM 0 HH22 ARG A 72 20.891 -1.432 -1.291 1.00 0.00 H new ATOM 1097 N VAL A 73 13.335 -2.702 -3.111 1.00 0.00 N ATOM 1098 CA VAL A 73 12.465 -3.820 -2.697 1.00 0.00 C ATOM 1099 C VAL A 73 13.204 -4.637 -1.625 1.00 0.00 C ATOM 1100 O VAL A 73 14.153 -5.371 -1.932 1.00 0.00 O ATOM 1101 CB VAL A 73 12.070 -4.741 -3.920 1.00 0.00 C ATOM 1102 CG1 VAL A 73 11.183 -5.936 -3.476 1.00 0.00 C ATOM 1103 CG2 VAL A 73 11.374 -3.910 -5.029 1.00 0.00 C ATOM 0 H VAL A 73 14.129 -2.994 -3.681 1.00 0.00 H new ATOM 0 HA VAL A 73 11.536 -3.416 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 73 12.990 -5.158 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.932 -6.545 -4.344 1.00 0.00 H new ATOM 0 HG12 VAL A 73 11.726 -6.543 -2.751 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.267 -5.560 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 73 11.110 -4.563 -5.861 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.470 -3.451 -4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.051 -3.131 -5.379 1.00 0.00 H new ATOM 1113 N GLU A 74 12.800 -4.465 -0.359 1.00 0.00 N ATOM 1114 CA GLU A 74 13.384 -5.190 0.776 1.00 0.00 C ATOM 1115 C GLU A 74 12.442 -6.326 1.190 1.00 0.00 C ATOM 1116 O GLU A 74 12.078 -6.422 2.343 1.00 0.00 O ATOM 1117 CB GLU A 74 13.611 -4.193 1.957 1.00 0.00 C ATOM 1118 CG GLU A 74 14.626 -3.069 1.685 1.00 0.00 C ATOM 1119 CD GLU A 74 16.065 -3.586 1.483 1.00 0.00 C ATOM 1120 OE1 GLU A 74 16.455 -3.894 0.337 1.00 0.00 O ATOM 1121 OE2 GLU A 74 16.814 -3.699 2.473 1.00 0.00 O ATOM 0 H GLU A 74 12.058 -3.818 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 74 14.344 -5.623 0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.654 -3.740 2.217 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.944 -4.757 2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 74 14.317 -2.516 0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 74 14.613 -2.367 2.518 1.00 0.00 H new ATOM 1128 N ALA A 75 12.079 -7.206 0.244 1.00 0.00 N ATOM 1129 CA ALA A 75 11.059 -8.252 0.471 1.00 0.00 C ATOM 1130 C ALA A 75 11.529 -9.286 1.523 1.00 0.00 C ATOM 1131 O ALA A 75 12.655 -9.774 1.415 1.00 0.00 O ATOM 1132 CB ALA A 75 10.743 -8.952 -0.856 1.00 0.00 C ATOM 0 H ALA A 75 12.478 -7.217 -0.694 1.00 0.00 H new ATOM 0 HA ALA A 75 10.159 -7.775 0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.991 -9.724 -0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.363 -8.222 -1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 75 11.650 -9.409 -1.252 1.00 0.00 H new ATOM 1138 N PRO A 76 10.703 -9.619 2.576 1.00 0.00 N ATOM 1139 CA PRO A 76 9.383 -8.993 2.876 1.00 0.00 C ATOM 1140 C PRO A 76 9.458 -7.891 3.967 1.00 0.00 C ATOM 1141 O PRO A 76 8.434 -7.387 4.425 1.00 0.00 O ATOM 1142 CB PRO A 76 8.595 -10.225 3.364 1.00 0.00 C ATOM 1143 CG PRO A 76 9.599 -11.039 4.129 1.00 0.00 C ATOM 1144 CD PRO A 76 10.976 -10.699 3.561 1.00 0.00 C ATOM 0 HA PRO A 76 8.945 -8.466 2.028 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.756 -9.934 3.996 1.00 0.00 H new ATOM 0 HB3 PRO A 76 8.183 -10.789 2.527 1.00 0.00 H new ATOM 0 HG2 PRO A 76 9.553 -10.807 5.193 1.00 0.00 H new ATOM 0 HG3 PRO A 76 9.391 -12.104 4.025 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.658 -10.363 4.342 1.00 0.00 H new ATOM 0 HD3 PRO A 76 11.437 -11.565 3.086 1.00 0.00 H new ATOM 1152 N THR A 77 10.693 -7.514 4.315 1.00 0.00 N ATOM 1153 CA THR A 77 11.033 -6.655 5.457 1.00 0.00 C ATOM 1154 C THR A 77 10.513 -5.201 5.296 1.00 0.00 C ATOM 1155 O THR A 77 10.134 -4.560 6.281 1.00 0.00 O ATOM 1156 CB THR A 77 12.590 -6.654 5.595 1.00 0.00 C ATOM 1157 OG1 THR A 77 13.081 -8.005 5.574 1.00 0.00 O ATOM 1158 CG2 THR A 77 13.082 -5.967 6.871 1.00 0.00 C ATOM 0 H THR A 77 11.516 -7.810 3.789 1.00 0.00 H new ATOM 0 HA THR A 77 10.549 -7.052 6.350 1.00 0.00 H new ATOM 0 HB THR A 77 12.976 -6.085 4.749 1.00 0.00 H new ATOM 0 HG1 THR A 77 14.057 -8.000 5.659 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.171 -6.001 6.906 1.00 0.00 H new ATOM 0 HG22 THR A 77 12.751 -4.929 6.876 1.00 0.00 H new ATOM 0 HG23 THR A 77 12.675 -6.482 7.741 1.00 0.00 H new ATOM 1166 N ARG A 78 10.499 -4.691 4.048 1.00 0.00 N ATOM 1167 CA ARG A 78 10.140 -3.285 3.750 1.00 0.00 C ATOM 1168 C ARG A 78 9.893 -3.110 2.240 1.00 0.00 C ATOM 1169 O ARG A 78 10.354 -3.920 1.423 1.00 0.00 O ATOM 1170 CB ARG A 78 11.270 -2.313 4.218 1.00 0.00 C ATOM 1171 CG ARG A 78 10.862 -0.824 4.288 1.00 0.00 C ATOM 1172 CD ARG A 78 12.046 0.110 4.587 1.00 0.00 C ATOM 1173 NE ARG A 78 12.809 0.453 3.371 1.00 0.00 N ATOM 1174 CZ ARG A 78 14.148 0.488 3.261 1.00 0.00 C ATOM 1175 NH1 ARG A 78 14.934 0.194 4.286 1.00 0.00 N ATOM 1176 NH2 ARG A 78 14.692 0.869 2.120 1.00 0.00 N ATOM 0 H ARG A 78 10.735 -5.238 3.220 1.00 0.00 H new ATOM 0 HA ARG A 78 9.227 -3.043 4.294 1.00 0.00 H new ATOM 0 HB2 ARG A 78 11.614 -2.627 5.204 1.00 0.00 H new ATOM 0 HB3 ARG A 78 12.117 -2.411 3.539 1.00 0.00 H new ATOM 0 HG2 ARG A 78 10.407 -0.533 3.341 1.00 0.00 H new ATOM 0 HG3 ARG A 78 10.102 -0.697 5.059 1.00 0.00 H new ATOM 0 HD2 ARG A 78 11.677 1.024 5.052 1.00 0.00 H new ATOM 0 HD3 ARG A 78 12.710 -0.368 5.307 1.00 0.00 H new ATOM 0 HE ARG A 78 12.270 0.685 2.537 1.00 0.00 H new ATOM 0 HH11 ARG A 78 14.526 -0.066 5.184 1.00 0.00 H new ATOM 0 HH12 ARG A 78 15.948 0.228 4.177 1.00 0.00 H new ATOM 0 HH21 ARG A 78 14.097 1.133 1.334 1.00 0.00 H new ATOM 0 HH22 ARG A 78 15.707 0.900 2.024 1.00 0.00 H new ATOM 1190 N LEU A 79 9.170 -2.043 1.876 1.00 0.00 N ATOM 1191 CA LEU A 79 8.931 -1.682 0.477 1.00 0.00 C ATOM 1192 C LEU A 79 9.070 -0.163 0.300 1.00 0.00 C ATOM 1193 O LEU A 79 8.285 0.612 0.857 1.00 0.00 O ATOM 1194 CB LEU A 79 7.536 -2.177 0.017 1.00 0.00 C ATOM 1195 CG LEU A 79 7.296 -2.143 -1.524 1.00 0.00 C ATOM 1196 CD1 LEU A 79 8.387 -2.956 -2.268 1.00 0.00 C ATOM 1197 CD2 LEU A 79 5.870 -2.639 -1.878 1.00 0.00 C ATOM 0 H LEU A 79 8.735 -1.407 2.545 1.00 0.00 H new ATOM 0 HA LEU A 79 9.677 -2.171 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.397 -3.199 0.368 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.773 -1.567 0.501 1.00 0.00 H new ATOM 0 HG LEU A 79 7.370 -1.108 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.200 -2.919 -3.341 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.367 -2.529 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.362 -3.992 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.731 -2.605 -2.958 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.744 -3.664 -1.528 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.132 -1.998 -1.396 1.00 0.00 H new ATOM 1209 N SER A 80 10.084 0.242 -0.474 1.00 0.00 N ATOM 1210 CA SER A 80 10.381 1.645 -0.779 1.00 0.00 C ATOM 1211 C SER A 80 9.936 1.952 -2.210 1.00 0.00 C ATOM 1212 O SER A 80 10.342 1.243 -3.146 1.00 0.00 O ATOM 1213 CB SER A 80 11.895 1.888 -0.637 1.00 0.00 C ATOM 1214 OG SER A 80 12.351 1.466 0.629 1.00 0.00 O ATOM 0 H SER A 80 10.733 -0.410 -0.914 1.00 0.00 H new ATOM 0 HA SER A 80 9.848 2.297 -0.087 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.430 1.350 -1.420 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.113 2.947 -0.773 1.00 0.00 H new ATOM 0 HG SER A 80 11.875 1.959 1.329 1.00 0.00 H new ATOM 1220 N PHE A 81 9.116 3.000 -2.388 1.00 0.00 N ATOM 1221 CA PHE A 81 8.665 3.430 -3.714 1.00 0.00 C ATOM 1222 C PHE A 81 8.308 4.919 -3.704 1.00 0.00 C ATOM 1223 O PHE A 81 8.034 5.503 -2.653 1.00 0.00 O ATOM 1224 CB PHE A 81 7.466 2.566 -4.208 1.00 0.00 C ATOM 1225 CG PHE A 81 6.305 2.443 -3.218 1.00 0.00 C ATOM 1226 CD1 PHE A 81 6.290 1.426 -2.264 1.00 0.00 C ATOM 1227 CD2 PHE A 81 5.218 3.316 -3.263 1.00 0.00 C ATOM 1228 CE1 PHE A 81 5.236 1.290 -1.388 1.00 0.00 C ATOM 1229 CE2 PHE A 81 4.160 3.169 -2.390 1.00 0.00 C ATOM 1230 CZ PHE A 81 4.167 2.157 -1.453 1.00 0.00 C ATOM 0 H PHE A 81 8.752 3.566 -1.622 1.00 0.00 H new ATOM 0 HA PHE A 81 9.486 3.283 -4.416 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.088 2.994 -5.137 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.831 1.566 -4.443 1.00 0.00 H new ATOM 0 HD1 PHE A 81 7.118 0.734 -2.211 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.205 4.115 -3.989 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.247 0.503 -0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 81 3.323 3.849 -2.440 1.00 0.00 H new ATOM 0 HZ PHE A 81 3.337 2.044 -0.772 1.00 0.00 H new ATOM 1240 N VAL A 82 8.324 5.526 -4.898 1.00 0.00 N ATOM 1241 CA VAL A 82 7.956 6.930 -5.114 1.00 0.00 C ATOM 1242 C VAL A 82 6.919 6.981 -6.232 1.00 0.00 C ATOM 1243 O VAL A 82 7.166 6.461 -7.322 1.00 0.00 O ATOM 1244 CB VAL A 82 9.208 7.817 -5.512 1.00 0.00 C ATOM 1245 CG1 VAL A 82 8.808 9.293 -5.776 1.00 0.00 C ATOM 1246 CG2 VAL A 82 10.316 7.729 -4.437 1.00 0.00 C ATOM 0 H VAL A 82 8.598 5.046 -5.755 1.00 0.00 H new ATOM 0 HA VAL A 82 7.555 7.334 -4.185 1.00 0.00 H new ATOM 0 HB VAL A 82 9.606 7.415 -6.444 1.00 0.00 H new ATOM 0 HG11 VAL A 82 9.694 9.867 -6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.087 9.334 -6.592 1.00 0.00 H new ATOM 0 HG13 VAL A 82 8.362 9.716 -4.876 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.163 8.347 -4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.926 8.084 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.641 6.694 -4.333 1.00 0.00 H new ATOM 1256 N MET A 83 5.788 7.644 -5.973 1.00 0.00 N ATOM 1257 CA MET A 83 4.720 7.826 -6.968 1.00 0.00 C ATOM 1258 C MET A 83 5.245 8.782 -8.055 1.00 0.00 C ATOM 1259 O MET A 83 6.095 9.636 -7.758 1.00 0.00 O ATOM 1260 CB MET A 83 3.459 8.395 -6.261 1.00 0.00 C ATOM 1261 CG MET A 83 2.251 8.678 -7.164 1.00 0.00 C ATOM 1262 SD MET A 83 0.915 9.518 -6.280 1.00 0.00 S ATOM 1263 CE MET A 83 0.389 8.262 -5.106 1.00 0.00 C ATOM 0 H MET A 83 5.584 8.070 -5.069 1.00 0.00 H new ATOM 0 HA MET A 83 4.441 6.881 -7.434 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.152 7.691 -5.487 1.00 0.00 H new ATOM 0 HB3 MET A 83 3.736 9.321 -5.758 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.567 9.291 -8.008 1.00 0.00 H new ATOM 0 HG3 MET A 83 1.879 7.739 -7.574 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.545 8.571 -4.637 1.00 0.00 H new ATOM 0 HE2 MET A 83 0.238 7.317 -5.628 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.155 8.136 -4.341 1.00 0.00 H new ATOM 1273 N ASP A 84 4.756 8.662 -9.301 1.00 0.00 N ATOM 1274 CA ASP A 84 5.277 9.467 -10.439 1.00 0.00 C ATOM 1275 C ASP A 84 4.918 10.967 -10.285 1.00 0.00 C ATOM 1276 O ASP A 84 5.448 11.816 -11.005 1.00 0.00 O ATOM 1277 CB ASP A 84 4.763 8.917 -11.801 1.00 0.00 C ATOM 1278 CG ASP A 84 3.329 9.341 -12.142 1.00 0.00 C ATOM 1279 OD1 ASP A 84 2.392 8.903 -11.453 1.00 0.00 O ATOM 1280 OD2 ASP A 84 3.134 10.131 -13.090 1.00 0.00 O ATOM 0 H ASP A 84 4.004 8.021 -9.554 1.00 0.00 H new ATOM 0 HA ASP A 84 6.363 9.380 -10.426 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.430 9.257 -12.594 1.00 0.00 H new ATOM 0 HB3 ASP A 84 4.815 7.828 -11.785 1.00 0.00 H new ATOM 1285 N ASP A 85 4.017 11.266 -9.324 1.00 0.00 N ATOM 1286 CA ASP A 85 3.601 12.632 -8.967 1.00 0.00 C ATOM 1287 C ASP A 85 4.607 13.253 -7.951 1.00 0.00 C ATOM 1288 O ASP A 85 4.454 14.398 -7.518 1.00 0.00 O ATOM 1289 CB ASP A 85 2.163 12.572 -8.385 1.00 0.00 C ATOM 1290 CG ASP A 85 1.494 13.944 -8.195 1.00 0.00 C ATOM 1291 OD1 ASP A 85 1.203 14.621 -9.202 1.00 0.00 O ATOM 1292 OD2 ASP A 85 1.237 14.346 -7.048 1.00 0.00 O ATOM 0 H ASP A 85 3.552 10.549 -8.767 1.00 0.00 H new ATOM 0 HA ASP A 85 3.599 13.272 -9.850 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.542 11.968 -9.046 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.195 12.061 -7.423 1.00 0.00 H new ATOM 1297 N GLY A 86 5.648 12.466 -7.587 1.00 0.00 N ATOM 1298 CA GLY A 86 6.727 12.899 -6.684 1.00 0.00 C ATOM 1299 C GLY A 86 6.571 12.381 -5.250 1.00 0.00 C ATOM 1300 O GLY A 86 7.534 12.377 -4.486 1.00 0.00 O ATOM 0 H GLY A 86 5.758 11.507 -7.917 1.00 0.00 H new ATOM 0 HA2 GLY A 86 7.682 12.558 -7.083 1.00 0.00 H new ATOM 0 HA3 GLY A 86 6.760 13.988 -6.667 1.00 0.00 H new ATOM 1304 N ARG A 87 5.354 11.926 -4.905 1.00 0.00 N ATOM 1305 CA ARG A 87 4.968 11.584 -3.511 1.00 0.00 C ATOM 1306 C ARG A 87 5.573 10.230 -3.094 1.00 0.00 C ATOM 1307 O ARG A 87 5.144 9.178 -3.565 1.00 0.00 O ATOM 1308 CB ARG A 87 3.408 11.605 -3.353 1.00 0.00 C ATOM 1309 CG ARG A 87 2.756 13.025 -3.276 1.00 0.00 C ATOM 1310 CD ARG A 87 3.245 13.990 -4.371 1.00 0.00 C ATOM 1311 NE ARG A 87 2.383 15.176 -4.549 1.00 0.00 N ATOM 1312 CZ ARG A 87 2.811 16.432 -4.762 1.00 0.00 C ATOM 1313 NH1 ARG A 87 4.112 16.730 -4.791 1.00 0.00 N ATOM 1314 NH2 ARG A 87 1.925 17.382 -5.009 1.00 0.00 N ATOM 0 H ARG A 87 4.604 11.782 -5.581 1.00 0.00 H new ATOM 0 HA ARG A 87 5.375 12.339 -2.838 1.00 0.00 H new ATOM 0 HB2 ARG A 87 2.968 11.068 -4.193 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.145 11.054 -2.450 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.673 12.923 -3.351 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.968 13.460 -2.299 1.00 0.00 H new ATOM 0 HD2 ARG A 87 4.255 14.320 -4.127 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.305 13.451 -5.317 1.00 0.00 H new ATOM 0 HE ARG A 87 1.375 15.029 -4.507 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.806 15.996 -4.650 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.412 17.691 -4.955 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.930 17.157 -5.036 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.236 18.340 -5.172 1.00 0.00 H new ATOM 1328 N GLU A 88 6.570 10.287 -2.194 1.00 0.00 N ATOM 1329 CA GLU A 88 7.347 9.113 -1.748 1.00 0.00 C ATOM 1330 C GLU A 88 6.617 8.428 -0.589 1.00 0.00 C ATOM 1331 O GLU A 88 6.193 9.103 0.362 1.00 0.00 O ATOM 1332 CB GLU A 88 8.761 9.539 -1.275 1.00 0.00 C ATOM 1333 CG GLU A 88 9.465 10.534 -2.202 1.00 0.00 C ATOM 1334 CD GLU A 88 10.826 10.974 -1.659 1.00 0.00 C ATOM 1335 OE1 GLU A 88 10.875 11.834 -0.754 1.00 0.00 O ATOM 1336 OE2 GLU A 88 11.865 10.454 -2.122 1.00 0.00 O ATOM 0 H GLU A 88 6.863 11.157 -1.750 1.00 0.00 H new ATOM 0 HA GLU A 88 7.447 8.425 -2.588 1.00 0.00 H new ATOM 0 HB2 GLU A 88 8.681 9.981 -0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 88 9.382 8.649 -1.179 1.00 0.00 H new ATOM 0 HG2 GLU A 88 9.598 10.080 -3.184 1.00 0.00 H new ATOM 0 HG3 GLU A 88 8.831 11.410 -2.339 1.00 0.00 H new ATOM 1343 N VAL A 89 6.480 7.092 -0.679 1.00 0.00 N ATOM 1344 CA VAL A 89 5.773 6.267 0.314 1.00 0.00 C ATOM 1345 C VAL A 89 6.630 5.033 0.635 1.00 0.00 C ATOM 1346 O VAL A 89 7.107 4.347 -0.279 1.00 0.00 O ATOM 1347 CB VAL A 89 4.375 5.789 -0.220 1.00 0.00 C ATOM 1348 CG1 VAL A 89 3.560 5.073 0.887 1.00 0.00 C ATOM 1349 CG2 VAL A 89 3.577 6.950 -0.857 1.00 0.00 C ATOM 0 H VAL A 89 6.863 6.550 -1.454 1.00 0.00 H new ATOM 0 HA VAL A 89 5.609 6.872 1.205 1.00 0.00 H new ATOM 0 HB VAL A 89 4.562 5.060 -1.009 1.00 0.00 H new ATOM 0 HG11 VAL A 89 2.599 4.756 0.483 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.112 4.201 1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.396 5.758 1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.616 6.578 -1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.411 7.729 -0.113 1.00 0.00 H new ATOM 0 HG23 VAL A 89 4.140 7.362 -1.694 1.00 0.00 H new ATOM 1359 N ASP A 90 6.809 4.743 1.922 1.00 0.00 N ATOM 1360 CA ASP A 90 7.645 3.634 2.397 1.00 0.00 C ATOM 1361 C ASP A 90 6.824 2.774 3.350 1.00 0.00 C ATOM 1362 O ASP A 90 6.522 3.207 4.462 1.00 0.00 O ATOM 1363 CB ASP A 90 8.895 4.199 3.113 1.00 0.00 C ATOM 1364 CG ASP A 90 9.862 3.110 3.596 1.00 0.00 C ATOM 1365 OD1 ASP A 90 10.687 2.632 2.790 1.00 0.00 O ATOM 1366 OD2 ASP A 90 9.813 2.728 4.788 1.00 0.00 O ATOM 0 H ASP A 90 6.374 5.275 2.676 1.00 0.00 H new ATOM 0 HA ASP A 90 7.975 3.023 1.557 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.423 4.868 2.434 1.00 0.00 H new ATOM 0 HB3 ASP A 90 8.577 4.797 3.967 1.00 0.00 H new ATOM 1371 N VAL A 91 6.442 1.570 2.912 1.00 0.00 N ATOM 1372 CA VAL A 91 5.646 0.638 3.721 1.00 0.00 C ATOM 1373 C VAL A 91 6.590 -0.402 4.339 1.00 0.00 C ATOM 1374 O VAL A 91 7.106 -1.275 3.644 1.00 0.00 O ATOM 1375 CB VAL A 91 4.528 -0.052 2.857 1.00 0.00 C ATOM 1376 CG1 VAL A 91 3.575 -0.893 3.733 1.00 0.00 C ATOM 1377 CG2 VAL A 91 3.748 1.003 2.033 1.00 0.00 C ATOM 0 H VAL A 91 6.676 1.213 1.986 1.00 0.00 H new ATOM 0 HA VAL A 91 5.138 1.186 4.515 1.00 0.00 H new ATOM 0 HB VAL A 91 5.015 -0.735 2.161 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.815 -1.355 3.103 1.00 0.00 H new ATOM 0 HG12 VAL A 91 4.142 -1.669 4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 91 3.094 -0.249 4.469 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.979 0.507 1.442 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.281 1.719 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 91 4.435 1.526 1.368 1.00 0.00 H new ATOM 1387 N GLN A 92 6.812 -0.279 5.643 1.00 0.00 N ATOM 1388 CA GLN A 92 7.801 -1.064 6.400 1.00 0.00 C ATOM 1389 C GLN A 92 7.063 -2.184 7.146 1.00 0.00 C ATOM 1390 O GLN A 92 6.149 -1.910 7.907 1.00 0.00 O ATOM 1391 CB GLN A 92 8.549 -0.080 7.359 1.00 0.00 C ATOM 1392 CG GLN A 92 9.808 -0.592 8.096 1.00 0.00 C ATOM 1393 CD GLN A 92 9.521 -1.535 9.264 1.00 0.00 C ATOM 1394 OE1 GLN A 92 9.546 -2.746 9.107 1.00 0.00 O ATOM 1395 NE2 GLN A 92 9.196 -0.982 10.427 1.00 0.00 N ATOM 0 H GLN A 92 6.300 0.384 6.225 1.00 0.00 H new ATOM 0 HA GLN A 92 8.542 -1.539 5.757 1.00 0.00 H new ATOM 0 HB2 GLN A 92 8.837 0.796 6.778 1.00 0.00 H new ATOM 0 HB3 GLN A 92 7.837 0.257 8.112 1.00 0.00 H new ATOM 0 HG2 GLN A 92 10.449 -1.106 7.380 1.00 0.00 H new ATOM 0 HG3 GLN A 92 10.369 0.265 8.468 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.185 0.033 10.524 1.00 0.00 H new ATOM 0 HE22 GLN A 92 8.957 -1.573 11.224 1.00 0.00 H new ATOM 1404 N PHE A 93 7.458 -3.442 6.913 1.00 0.00 N ATOM 1405 CA PHE A 93 6.796 -4.620 7.507 1.00 0.00 C ATOM 1406 C PHE A 93 7.691 -5.193 8.622 1.00 0.00 C ATOM 1407 O PHE A 93 8.653 -5.913 8.351 1.00 0.00 O ATOM 1408 CB PHE A 93 6.524 -5.692 6.418 1.00 0.00 C ATOM 1409 CG PHE A 93 5.650 -5.222 5.246 1.00 0.00 C ATOM 1410 CD1 PHE A 93 6.198 -4.497 4.186 1.00 0.00 C ATOM 1411 CD2 PHE A 93 4.287 -5.506 5.201 1.00 0.00 C ATOM 1412 CE1 PHE A 93 5.414 -4.077 3.128 1.00 0.00 C ATOM 1413 CE2 PHE A 93 3.504 -5.085 4.139 1.00 0.00 C ATOM 1414 CZ PHE A 93 4.068 -4.374 3.103 1.00 0.00 C ATOM 0 H PHE A 93 8.245 -3.676 6.308 1.00 0.00 H new ATOM 0 HA PHE A 93 5.838 -4.323 7.933 1.00 0.00 H new ATOM 0 HB2 PHE A 93 7.480 -6.037 6.023 1.00 0.00 H new ATOM 0 HB3 PHE A 93 6.044 -6.551 6.887 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.252 -4.261 4.193 1.00 0.00 H new ATOM 0 HD2 PHE A 93 3.834 -6.063 6.007 1.00 0.00 H new ATOM 0 HE1 PHE A 93 5.857 -3.515 2.319 1.00 0.00 H new ATOM 0 HE2 PHE A 93 2.449 -5.315 4.123 1.00 0.00 H new ATOM 0 HZ PHE A 93 3.457 -4.050 2.273 1.00 0.00 H new ATOM 1424 N ALA A 94 7.390 -4.832 9.870 1.00 0.00 N ATOM 1425 CA ALA A 94 8.206 -5.198 11.036 1.00 0.00 C ATOM 1426 C ALA A 94 7.615 -6.424 11.740 1.00 0.00 C ATOM 1427 O ALA A 94 6.673 -6.293 12.525 1.00 0.00 O ATOM 1428 CB ALA A 94 8.317 -4.007 12.002 1.00 0.00 C ATOM 0 H ALA A 94 6.569 -4.274 10.105 1.00 0.00 H new ATOM 0 HA ALA A 94 9.209 -5.456 10.696 1.00 0.00 H new ATOM 0 HB1 ALA A 94 8.924 -4.291 12.862 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.784 -3.166 11.490 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.322 -3.719 12.340 1.00 0.00 H new ATOM 1434 N SER A 95 8.149 -7.615 11.422 1.00 0.00 N ATOM 1435 CA SER A 95 7.737 -8.872 12.073 1.00 0.00 C ATOM 1436 C SER A 95 8.032 -8.803 13.592 1.00 0.00 C ATOM 1437 O SER A 95 9.145 -8.457 13.998 1.00 0.00 O ATOM 1438 CB SER A 95 8.450 -10.073 11.420 1.00 0.00 C ATOM 1439 OG SER A 95 9.863 -9.970 11.513 1.00 0.00 O ATOM 0 H SER A 95 8.872 -7.735 10.713 1.00 0.00 H new ATOM 0 HA SER A 95 6.664 -9.008 11.940 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.122 -10.994 11.901 1.00 0.00 H new ATOM 0 HB3 SER A 95 8.160 -10.140 10.371 1.00 0.00 H new ATOM 0 HG SER A 95 10.099 -9.359 12.242 1.00 0.00 H new ATOM 1445 N GLU A 96 7.030 -9.146 14.406 1.00 0.00 N ATOM 1446 CA GLU A 96 7.046 -8.947 15.867 1.00 0.00 C ATOM 1447 C GLU A 96 6.420 -10.177 16.562 1.00 0.00 C ATOM 1448 O GLU A 96 5.674 -10.928 15.910 1.00 0.00 O ATOM 1449 CB GLU A 96 6.250 -7.655 16.224 1.00 0.00 C ATOM 1450 CG GLU A 96 4.807 -7.644 15.681 1.00 0.00 C ATOM 1451 CD GLU A 96 3.920 -6.494 16.172 1.00 0.00 C ATOM 1452 OE1 GLU A 96 4.441 -5.425 16.556 1.00 0.00 O ATOM 1453 OE2 GLU A 96 2.682 -6.648 16.163 1.00 0.00 O ATOM 0 H GLU A 96 6.169 -9.577 14.068 1.00 0.00 H new ATOM 0 HA GLU A 96 8.073 -8.834 16.213 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.221 -7.545 17.308 1.00 0.00 H new ATOM 0 HB3 GLU A 96 6.783 -6.790 15.830 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.848 -7.607 14.592 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.330 -8.586 15.950 1.00 0.00 H new ATOM 1460 N PRO A 97 6.723 -10.433 17.877 1.00 0.00 N ATOM 1461 CA PRO A 97 6.043 -11.492 18.652 1.00 0.00 C ATOM 1462 C PRO A 97 4.548 -11.136 18.875 1.00 0.00 C ATOM 1463 O PRO A 97 4.183 -10.500 19.872 1.00 0.00 O ATOM 1464 CB PRO A 97 6.860 -11.560 19.973 1.00 0.00 C ATOM 1465 CG PRO A 97 7.488 -10.207 20.107 1.00 0.00 C ATOM 1466 CD PRO A 97 7.756 -9.733 18.694 1.00 0.00 C ATOM 0 HA PRO A 97 6.018 -12.459 18.149 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.217 -11.783 20.824 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.616 -12.344 19.930 1.00 0.00 H new ATOM 0 HG2 PRO A 97 6.825 -9.519 20.631 1.00 0.00 H new ATOM 0 HG3 PRO A 97 8.412 -10.260 20.683 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.663 -8.650 18.612 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.764 -9.992 18.370 1.00 0.00 H new ATOM 1474 N GLY A 98 3.708 -11.496 17.882 1.00 0.00 N ATOM 1475 CA GLY A 98 2.275 -11.194 17.917 1.00 0.00 C ATOM 1476 C GLY A 98 1.700 -10.825 16.549 1.00 0.00 C ATOM 1477 O GLY A 98 0.475 -10.793 16.389 1.00 0.00 O ATOM 0 H GLY A 98 4.006 -11.998 17.046 1.00 0.00 H new ATOM 0 HA2 GLY A 98 1.738 -12.059 18.308 1.00 0.00 H new ATOM 0 HA3 GLY A 98 2.101 -10.371 18.610 1.00 0.00 H new ATOM 1481 N GLY A 99 2.569 -10.523 15.564 1.00 0.00 N ATOM 1482 CA GLY A 99 2.117 -10.268 14.192 1.00 0.00 C ATOM 1483 C GLY A 99 3.135 -9.513 13.348 1.00 0.00 C ATOM 1484 O GLY A 99 4.298 -9.920 13.266 1.00 0.00 O ATOM 0 H GLY A 99 3.578 -10.451 15.696 1.00 0.00 H new ATOM 0 HA2 GLY A 99 1.891 -11.219 13.710 1.00 0.00 H new ATOM 0 HA3 GLY A 99 1.189 -9.698 14.224 1.00 0.00 H new ATOM 1488 N THR A 100 2.695 -8.396 12.743 1.00 0.00 N ATOM 1489 CA THR A 100 3.517 -7.566 11.851 1.00 0.00 C ATOM 1490 C THR A 100 3.112 -6.090 12.020 1.00 0.00 C ATOM 1491 O THR A 100 1.989 -5.708 11.673 1.00 0.00 O ATOM 1492 CB THR A 100 3.341 -7.990 10.345 1.00 0.00 C ATOM 1493 OG1 THR A 100 3.535 -9.406 10.198 1.00 0.00 O ATOM 1494 CG2 THR A 100 4.332 -7.255 9.416 1.00 0.00 C ATOM 0 H THR A 100 1.746 -8.041 12.863 1.00 0.00 H new ATOM 0 HA THR A 100 4.564 -7.706 12.120 1.00 0.00 H new ATOM 0 HB THR A 100 2.326 -7.716 10.056 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.836 -9.885 10.691 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.174 -7.579 8.387 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.168 -6.180 9.487 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.354 -7.487 9.717 1.00 0.00 H new ATOM 1502 N TRP A 101 4.028 -5.276 12.559 1.00 0.00 N ATOM 1503 CA TRP A 101 3.861 -3.822 12.665 1.00 0.00 C ATOM 1504 C TRP A 101 4.194 -3.192 11.302 1.00 0.00 C ATOM 1505 O TRP A 101 5.361 -2.986 10.956 1.00 0.00 O ATOM 1506 CB TRP A 101 4.774 -3.272 13.801 1.00 0.00 C ATOM 1507 CG TRP A 101 4.904 -1.757 13.891 1.00 0.00 C ATOM 1508 CD1 TRP A 101 3.909 -0.818 13.784 1.00 0.00 C ATOM 1509 CD2 TRP A 101 6.117 -1.019 14.130 1.00 0.00 C ATOM 1510 NE1 TRP A 101 4.439 0.446 13.918 1.00 0.00 N ATOM 1511 CE2 TRP A 101 5.786 0.347 14.138 1.00 0.00 C ATOM 1512 CE3 TRP A 101 7.452 -1.389 14.330 1.00 0.00 C ATOM 1513 CZ2 TRP A 101 6.738 1.343 14.340 1.00 0.00 C ATOM 1514 CZ3 TRP A 101 8.395 -0.402 14.533 1.00 0.00 C ATOM 1515 CH2 TRP A 101 8.035 0.952 14.537 1.00 0.00 C ATOM 0 H TRP A 101 4.914 -5.612 12.937 1.00 0.00 H new ATOM 0 HA TRP A 101 2.833 -3.566 12.922 1.00 0.00 H new ATOM 0 HB2 TRP A 101 4.393 -3.639 14.754 1.00 0.00 H new ATOM 0 HB3 TRP A 101 5.771 -3.694 13.672 1.00 0.00 H new ATOM 0 HD1 TRP A 101 2.865 -1.038 13.619 1.00 0.00 H new ATOM 0 HE1 TRP A 101 3.912 1.317 13.862 1.00 0.00 H new ATOM 0 HE3 TRP A 101 7.739 -2.430 14.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 6.463 2.387 14.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 9.427 -0.678 14.691 1.00 0.00 H new ATOM 0 HH2 TRP A 101 8.795 1.702 14.699 1.00 0.00 H new ATOM 1526 N VAL A 102 3.139 -2.920 10.530 1.00 0.00 N ATOM 1527 CA VAL A 102 3.241 -2.301 9.214 1.00 0.00 C ATOM 1528 C VAL A 102 3.242 -0.778 9.403 1.00 0.00 C ATOM 1529 O VAL A 102 2.195 -0.162 9.593 1.00 0.00 O ATOM 1530 CB VAL A 102 2.052 -2.750 8.273 1.00 0.00 C ATOM 1531 CG1 VAL A 102 2.168 -2.112 6.869 1.00 0.00 C ATOM 1532 CG2 VAL A 102 1.975 -4.297 8.179 1.00 0.00 C ATOM 0 H VAL A 102 2.180 -3.128 10.808 1.00 0.00 H new ATOM 0 HA VAL A 102 4.164 -2.620 8.730 1.00 0.00 H new ATOM 0 HB VAL A 102 1.124 -2.391 8.719 1.00 0.00 H new ATOM 0 HG11 VAL A 102 1.335 -2.443 6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 102 2.144 -1.026 6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 102 3.107 -2.417 6.407 1.00 0.00 H new ATOM 0 HG21 VAL A 102 1.150 -4.581 7.526 1.00 0.00 H new ATOM 0 HG22 VAL A 102 2.909 -4.684 7.772 1.00 0.00 H new ATOM 0 HG23 VAL A 102 1.812 -4.714 9.173 1.00 0.00 H new ATOM 1542 N GLN A 103 4.452 -0.217 9.377 1.00 0.00 N ATOM 1543 CA GLN A 103 4.719 1.201 9.606 1.00 0.00 C ATOM 1544 C GLN A 103 4.963 1.884 8.254 1.00 0.00 C ATOM 1545 O GLN A 103 5.999 1.688 7.633 1.00 0.00 O ATOM 1546 CB GLN A 103 5.970 1.331 10.526 1.00 0.00 C ATOM 1547 CG GLN A 103 6.458 2.773 10.776 1.00 0.00 C ATOM 1548 CD GLN A 103 5.453 3.669 11.505 1.00 0.00 C ATOM 1549 OE1 GLN A 103 4.654 3.208 12.317 1.00 0.00 O ATOM 1550 NE2 GLN A 103 5.498 4.959 11.227 1.00 0.00 N ATOM 0 H GLN A 103 5.298 -0.755 9.190 1.00 0.00 H new ATOM 0 HA GLN A 103 3.871 1.682 10.093 1.00 0.00 H new ATOM 0 HB2 GLN A 103 5.743 0.870 11.487 1.00 0.00 H new ATOM 0 HB3 GLN A 103 6.787 0.760 10.084 1.00 0.00 H new ATOM 0 HG2 GLN A 103 7.379 2.735 11.357 1.00 0.00 H new ATOM 0 HG3 GLN A 103 6.704 3.230 9.818 1.00 0.00 H new ATOM 0 HE21 GLN A 103 6.173 5.311 10.548 1.00 0.00 H new ATOM 0 HE22 GLN A 103 4.858 5.603 11.691 1.00 0.00 H new ATOM 1559 N GLU A 104 3.987 2.669 7.804 1.00 0.00 N ATOM 1560 CA GLU A 104 4.061 3.406 6.536 1.00 0.00 C ATOM 1561 C GLU A 104 4.461 4.867 6.808 1.00 0.00 C ATOM 1562 O GLU A 104 4.070 5.438 7.819 1.00 0.00 O ATOM 1563 CB GLU A 104 2.695 3.327 5.811 1.00 0.00 C ATOM 1564 CG GLU A 104 2.666 3.978 4.415 1.00 0.00 C ATOM 1565 CD GLU A 104 1.277 3.912 3.757 1.00 0.00 C ATOM 1566 OE1 GLU A 104 0.443 4.793 4.046 1.00 0.00 O ATOM 1567 OE2 GLU A 104 1.019 2.973 2.966 1.00 0.00 O ATOM 0 H GLU A 104 3.114 2.816 8.310 1.00 0.00 H new ATOM 0 HA GLU A 104 4.819 2.960 5.892 1.00 0.00 H new ATOM 0 HB2 GLU A 104 2.411 2.279 5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 104 1.940 3.805 6.435 1.00 0.00 H new ATOM 0 HG2 GLU A 104 2.975 5.020 4.498 1.00 0.00 H new ATOM 0 HG3 GLU A 104 3.392 3.481 3.772 1.00 0.00 H new ATOM 1574 N THR A 105 5.279 5.441 5.918 1.00 0.00 N ATOM 1575 CA THR A 105 5.692 6.850 5.976 1.00 0.00 C ATOM 1576 C THR A 105 5.641 7.455 4.562 1.00 0.00 C ATOM 1577 O THR A 105 6.343 6.999 3.657 1.00 0.00 O ATOM 1578 CB THR A 105 7.123 7.004 6.602 1.00 0.00 C ATOM 1579 OG1 THR A 105 7.108 6.513 7.951 1.00 0.00 O ATOM 1580 CG2 THR A 105 7.622 8.466 6.615 1.00 0.00 C ATOM 0 H THR A 105 5.678 4.935 5.127 1.00 0.00 H new ATOM 0 HA THR A 105 5.001 7.391 6.623 1.00 0.00 H new ATOM 0 HB THR A 105 7.805 6.428 5.977 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.825 7.229 8.557 1.00 0.00 H new ATOM 0 HG21 THR A 105 8.616 8.507 7.060 1.00 0.00 H new ATOM 0 HG22 THR A 105 7.665 8.845 5.594 1.00 0.00 H new ATOM 0 HG23 THR A 105 6.937 9.079 7.201 1.00 0.00 H new ATOM 1588 N PHE A 106 4.822 8.500 4.395 1.00 0.00 N ATOM 1589 CA PHE A 106 4.542 9.143 3.106 1.00 0.00 C ATOM 1590 C PHE A 106 4.583 10.664 3.297 1.00 0.00 C ATOM 1591 O PHE A 106 4.190 11.150 4.354 1.00 0.00 O ATOM 1592 CB PHE A 106 3.154 8.687 2.561 1.00 0.00 C ATOM 1593 CG PHE A 106 1.971 8.922 3.523 1.00 0.00 C ATOM 1594 CD1 PHE A 106 1.661 7.990 4.516 1.00 0.00 C ATOM 1595 CD2 PHE A 106 1.184 10.075 3.436 1.00 0.00 C ATOM 1596 CE1 PHE A 106 0.610 8.200 5.384 1.00 0.00 C ATOM 1597 CE2 PHE A 106 0.129 10.280 4.307 1.00 0.00 C ATOM 1598 CZ PHE A 106 -0.157 9.343 5.281 1.00 0.00 C ATOM 0 H PHE A 106 4.323 8.933 5.172 1.00 0.00 H new ATOM 0 HA PHE A 106 5.295 8.850 2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 106 2.955 9.214 1.628 1.00 0.00 H new ATOM 0 HB3 PHE A 106 3.204 7.625 2.323 1.00 0.00 H new ATOM 0 HD1 PHE A 106 2.253 7.091 4.605 1.00 0.00 H new ATOM 0 HD2 PHE A 106 1.403 10.814 2.680 1.00 0.00 H new ATOM 0 HE1 PHE A 106 0.387 7.468 6.146 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -0.472 11.174 4.225 1.00 0.00 H new ATOM 0 HZ PHE A 106 -0.980 9.505 5.961 1.00 0.00 H new ATOM 1608 N ASP A 107 5.054 11.416 2.290 1.00 0.00 N ATOM 1609 CA ASP A 107 5.135 12.893 2.406 1.00 0.00 C ATOM 1610 C ASP A 107 3.784 13.563 2.115 1.00 0.00 C ATOM 1611 O ASP A 107 2.962 13.052 1.344 1.00 0.00 O ATOM 1612 CB ASP A 107 6.272 13.518 1.552 1.00 0.00 C ATOM 1613 CG ASP A 107 6.344 13.033 0.111 1.00 0.00 C ATOM 1614 OD1 ASP A 107 5.452 13.356 -0.701 1.00 0.00 O ATOM 1615 OD2 ASP A 107 7.315 12.332 -0.221 1.00 0.00 O ATOM 0 H ASP A 107 5.381 11.041 1.399 1.00 0.00 H new ATOM 0 HA ASP A 107 5.392 13.093 3.446 1.00 0.00 H new ATOM 0 HB2 ASP A 107 6.148 14.601 1.548 1.00 0.00 H new ATOM 0 HB3 ASP A 107 7.225 13.308 2.037 1.00 0.00 H new ATOM 1620 N ALA A 108 3.575 14.718 2.765 1.00 0.00 N ATOM 1621 CA ALA A 108 2.334 15.484 2.677 1.00 0.00 C ATOM 1622 C ALA A 108 2.332 16.355 1.400 1.00 0.00 C ATOM 1623 O ALA A 108 3.340 16.966 1.055 1.00 0.00 O ATOM 1624 CB ALA A 108 2.168 16.329 3.942 1.00 0.00 C ATOM 0 H ALA A 108 4.274 15.146 3.372 1.00 0.00 H new ATOM 0 HA ALA A 108 1.484 14.805 2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 108 1.243 16.901 3.878 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.131 15.676 4.814 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.012 17.013 4.036 1.00 0.00 H new ATOM 1630 N GLU A 109 1.179 16.393 0.732 1.00 0.00 N ATOM 1631 CA GLU A 109 0.965 17.056 -0.565 1.00 0.00 C ATOM 1632 C GLU A 109 0.261 18.405 -0.344 1.00 0.00 C ATOM 1633 O GLU A 109 -0.525 18.535 0.591 1.00 0.00 O ATOM 1634 CB GLU A 109 0.106 16.112 -1.438 1.00 0.00 C ATOM 1635 CG GLU A 109 -0.364 16.691 -2.772 1.00 0.00 C ATOM 1636 CD GLU A 109 -1.286 15.748 -3.544 1.00 0.00 C ATOM 1637 OE1 GLU A 109 -2.480 15.654 -3.187 1.00 0.00 O ATOM 1638 OE2 GLU A 109 -0.834 15.110 -4.508 1.00 0.00 O ATOM 0 H GLU A 109 0.333 15.948 1.088 1.00 0.00 H new ATOM 0 HA GLU A 109 1.912 17.256 -1.067 1.00 0.00 H new ATOM 0 HB2 GLU A 109 0.681 15.208 -1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -0.771 15.812 -0.863 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -0.886 17.631 -2.590 1.00 0.00 H new ATOM 0 HG3 GLU A 109 0.506 16.923 -3.387 1.00 0.00 H new ATOM 1645 N THR A 110 0.555 19.407 -1.185 1.00 0.00 N ATOM 1646 CA THR A 110 -0.040 20.747 -1.052 1.00 0.00 C ATOM 1647 C THR A 110 -1.441 20.840 -1.695 1.00 0.00 C ATOM 1648 O THR A 110 -2.202 21.759 -1.371 1.00 0.00 O ATOM 1649 CB THR A 110 0.909 21.821 -1.661 1.00 0.00 C ATOM 1650 OG1 THR A 110 1.213 21.478 -3.021 1.00 0.00 O ATOM 1651 CG2 THR A 110 2.217 21.949 -0.864 1.00 0.00 C ATOM 0 H THR A 110 1.203 19.315 -1.967 1.00 0.00 H new ATOM 0 HA THR A 110 -0.166 20.937 0.014 1.00 0.00 H new ATOM 0 HB THR A 110 0.394 22.781 -1.618 1.00 0.00 H new ATOM 0 HG1 THR A 110 1.809 22.155 -3.404 1.00 0.00 H new ATOM 0 HG21 THR A 110 2.850 22.709 -1.323 1.00 0.00 H new ATOM 0 HG22 THR A 110 1.991 22.237 0.163 1.00 0.00 H new ATOM 0 HG23 THR A 110 2.739 20.992 -0.866 1.00 0.00 H new ATOM 1659 N SER A 111 -1.781 19.897 -2.610 1.00 0.00 N ATOM 1660 CA SER A 111 -3.100 19.868 -3.288 1.00 0.00 C ATOM 1661 C SER A 111 -4.201 19.418 -2.308 1.00 0.00 C ATOM 1662 O SER A 111 -5.218 20.101 -2.139 1.00 0.00 O ATOM 1663 CB SER A 111 -3.049 18.911 -4.503 1.00 0.00 C ATOM 1664 OG SER A 111 -1.960 19.214 -5.360 1.00 0.00 O ATOM 0 H SER A 111 -1.155 19.144 -2.895 1.00 0.00 H new ATOM 0 HA SER A 111 -3.335 20.874 -3.636 1.00 0.00 H new ATOM 0 HB2 SER A 111 -2.962 17.882 -4.153 1.00 0.00 H new ATOM 0 HB3 SER A 111 -3.983 18.980 -5.061 1.00 0.00 H new ATOM 0 HG SER A 111 -1.955 18.590 -6.116 1.00 0.00 H new ATOM 1670 N HIS A 112 -3.973 18.259 -1.662 1.00 0.00 N ATOM 1671 CA HIS A 112 -4.864 17.711 -0.619 1.00 0.00 C ATOM 1672 C HIS A 112 -4.156 17.825 0.735 1.00 0.00 C ATOM 1673 O HIS A 112 -2.983 17.459 0.840 1.00 0.00 O ATOM 1674 CB HIS A 112 -5.213 16.230 -0.920 1.00 0.00 C ATOM 1675 CG HIS A 112 -6.017 16.039 -2.186 1.00 0.00 C ATOM 1676 ND1 HIS A 112 -7.360 16.333 -2.281 1.00 0.00 N ATOM 1677 CD2 HIS A 112 -5.657 15.594 -3.414 1.00 0.00 C ATOM 1678 CE1 HIS A 112 -7.784 16.073 -3.500 1.00 0.00 C ATOM 1679 NE2 HIS A 112 -6.773 15.625 -4.206 1.00 0.00 N ATOM 0 H HIS A 112 -3.160 17.672 -1.850 1.00 0.00 H new ATOM 0 HA HIS A 112 -5.796 18.276 -0.601 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -4.289 15.657 -0.997 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -5.773 15.820 -0.079 1.00 0.00 H new ATOM 0 HD1 HIS A 112 -7.937 16.697 -1.523 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -4.670 15.273 -3.713 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -8.794 16.206 -3.858 1.00 0.00 H new ATOM 1688 N THR A 113 -4.877 18.311 1.760 1.00 0.00 N ATOM 1689 CA THR A 113 -4.303 18.567 3.097 1.00 0.00 C ATOM 1690 C THR A 113 -3.888 17.240 3.791 1.00 0.00 C ATOM 1691 O THR A 113 -4.480 16.192 3.493 1.00 0.00 O ATOM 1692 CB THR A 113 -5.323 19.339 3.997 1.00 0.00 C ATOM 1693 OG1 THR A 113 -6.522 18.566 4.166 1.00 0.00 O ATOM 1694 CG2 THR A 113 -5.683 20.707 3.401 1.00 0.00 C ATOM 0 H THR A 113 -5.869 18.537 1.688 1.00 0.00 H new ATOM 0 HA THR A 113 -3.413 19.181 2.962 1.00 0.00 H new ATOM 0 HB THR A 113 -4.846 19.500 4.964 1.00 0.00 H new ATOM 0 HG1 THR A 113 -7.152 19.059 4.732 1.00 0.00 H new ATOM 0 HG21 THR A 113 -6.394 21.213 4.055 1.00 0.00 H new ATOM 0 HG22 THR A 113 -4.781 21.312 3.308 1.00 0.00 H new ATOM 0 HG23 THR A 113 -6.130 20.569 2.417 1.00 0.00 H new ATOM 1702 N PRO A 114 -2.849 17.266 4.705 1.00 0.00 N ATOM 1703 CA PRO A 114 -2.383 16.074 5.466 1.00 0.00 C ATOM 1704 C PRO A 114 -3.521 15.247 6.099 1.00 0.00 C ATOM 1705 O PRO A 114 -3.424 14.025 6.184 1.00 0.00 O ATOM 1706 CB PRO A 114 -1.478 16.700 6.554 1.00 0.00 C ATOM 1707 CG PRO A 114 -0.894 17.899 5.891 1.00 0.00 C ATOM 1708 CD PRO A 114 -2.013 18.459 5.039 1.00 0.00 C ATOM 0 HA PRO A 114 -1.882 15.355 4.818 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -2.050 16.973 7.441 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -0.703 16.005 6.877 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -0.553 18.629 6.625 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -0.030 17.632 5.282 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -2.588 19.210 5.580 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -1.627 18.940 4.140 1.00 0.00 H new ATOM 1716 N ALA A 115 -4.573 15.940 6.574 1.00 0.00 N ATOM 1717 CA ALA A 115 -5.790 15.305 7.121 1.00 0.00 C ATOM 1718 C ALA A 115 -6.460 14.359 6.101 1.00 0.00 C ATOM 1719 O ALA A 115 -6.735 13.192 6.420 1.00 0.00 O ATOM 1720 CB ALA A 115 -6.779 16.382 7.597 1.00 0.00 C ATOM 0 H ALA A 115 -4.604 16.959 6.590 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.491 14.694 7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -7.672 15.904 7.998 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.312 16.987 8.374 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -7.055 17.019 6.757 1.00 0.00 H new ATOM 1726 N GLN A 116 -6.700 14.876 4.878 1.00 0.00 N ATOM 1727 CA GLN A 116 -7.361 14.114 3.789 1.00 0.00 C ATOM 1728 C GLN A 116 -6.530 12.882 3.420 1.00 0.00 C ATOM 1729 O GLN A 116 -7.055 11.766 3.319 1.00 0.00 O ATOM 1730 CB GLN A 116 -7.525 14.987 2.522 1.00 0.00 C ATOM 1731 CG GLN A 116 -8.249 16.324 2.740 1.00 0.00 C ATOM 1732 CD GLN A 116 -8.329 17.168 1.465 1.00 0.00 C ATOM 1733 OE1 GLN A 116 -8.427 16.637 0.369 1.00 0.00 O ATOM 1734 NE2 GLN A 116 -8.236 18.476 1.595 1.00 0.00 N ATOM 0 H GLN A 116 -6.444 15.828 4.615 1.00 0.00 H new ATOM 0 HA GLN A 116 -8.343 13.810 4.152 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -6.537 15.190 2.109 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -8.071 14.414 1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -9.257 16.131 3.107 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -7.731 16.891 3.514 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -8.155 18.892 2.523 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -8.245 19.073 0.768 1.00 0.00 H new ATOM 1743 N GLN A 117 -5.223 13.132 3.212 1.00 0.00 N ATOM 1744 CA GLN A 117 -4.254 12.117 2.811 1.00 0.00 C ATOM 1745 C GLN A 117 -4.211 10.977 3.821 1.00 0.00 C ATOM 1746 O GLN A 117 -4.508 9.843 3.476 1.00 0.00 O ATOM 1747 CB GLN A 117 -2.861 12.754 2.693 1.00 0.00 C ATOM 1748 CG GLN A 117 -2.794 13.924 1.712 1.00 0.00 C ATOM 1749 CD GLN A 117 -1.407 14.526 1.679 1.00 0.00 C ATOM 1750 OE1 GLN A 117 -1.101 15.479 2.394 1.00 0.00 O ATOM 1751 NE2 GLN A 117 -0.545 13.908 0.895 1.00 0.00 N ATOM 0 H GLN A 117 -4.814 14.060 3.322 1.00 0.00 H new ATOM 0 HA GLN A 117 -4.558 11.711 1.846 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.546 13.100 3.678 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.149 11.990 2.381 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -3.070 13.583 0.714 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -3.518 14.686 2.000 1.00 0.00 H new ATOM 0 HE21 GLN A 117 -0.850 13.122 0.321 1.00 0.00 H new ATOM 0 HE22 GLN A 117 0.427 14.216 0.863 1.00 0.00 H new ATOM 1760 N GLN A 118 -3.882 11.313 5.079 1.00 0.00 N ATOM 1761 CA GLN A 118 -3.701 10.336 6.164 1.00 0.00 C ATOM 1762 C GLN A 118 -4.980 9.511 6.390 1.00 0.00 C ATOM 1763 O GLN A 118 -4.902 8.339 6.715 1.00 0.00 O ATOM 1764 CB GLN A 118 -3.258 11.049 7.469 1.00 0.00 C ATOM 1765 CG GLN A 118 -2.911 10.096 8.629 1.00 0.00 C ATOM 1766 CD GLN A 118 -2.459 10.796 9.916 1.00 0.00 C ATOM 1767 OE1 GLN A 118 -1.890 11.881 9.885 1.00 0.00 O ATOM 1768 NE2 GLN A 118 -2.698 10.175 11.057 1.00 0.00 N ATOM 0 H GLN A 118 -3.733 12.278 5.373 1.00 0.00 H new ATOM 0 HA GLN A 118 -2.913 9.644 5.869 1.00 0.00 H new ATOM 0 HB2 GLN A 118 -2.388 11.670 7.252 1.00 0.00 H new ATOM 0 HB3 GLN A 118 -4.055 11.719 7.791 1.00 0.00 H new ATOM 0 HG2 GLN A 118 -3.784 9.483 8.852 1.00 0.00 H new ATOM 0 HG3 GLN A 118 -2.121 9.419 8.302 1.00 0.00 H new ATOM 0 HE21 GLN A 118 -3.173 9.273 11.057 1.00 0.00 H new ATOM 0 HE22 GLN A 118 -2.407 10.598 11.938 1.00 0.00 H new ATOM 1777 N ALA A 119 -6.152 10.138 6.179 1.00 0.00 N ATOM 1778 CA ALA A 119 -7.458 9.444 6.254 1.00 0.00 C ATOM 1779 C ALA A 119 -7.604 8.416 5.110 1.00 0.00 C ATOM 1780 O ALA A 119 -8.176 7.335 5.298 1.00 0.00 O ATOM 1781 CB ALA A 119 -8.606 10.466 6.221 1.00 0.00 C ATOM 0 H ALA A 119 -6.224 11.130 5.954 1.00 0.00 H new ATOM 0 HA ALA A 119 -7.505 8.900 7.198 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -9.561 9.943 6.277 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -8.514 11.144 7.069 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -8.559 11.037 5.293 1.00 0.00 H new ATOM 1787 N GLY A 120 -7.072 8.778 3.929 1.00 0.00 N ATOM 1788 CA GLY A 120 -7.081 7.904 2.756 1.00 0.00 C ATOM 1789 C GLY A 120 -6.189 6.681 2.938 1.00 0.00 C ATOM 1790 O GLY A 120 -6.652 5.546 2.810 1.00 0.00 O ATOM 0 H GLY A 120 -6.627 9.682 3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -8.102 7.579 2.555 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -6.748 8.467 1.884 1.00 0.00 H new ATOM 1794 N TRP A 121 -4.913 6.927 3.270 1.00 0.00 N ATOM 1795 CA TRP A 121 -3.902 5.872 3.464 1.00 0.00 C ATOM 1796 C TRP A 121 -4.273 4.943 4.628 1.00 0.00 C ATOM 1797 O TRP A 121 -4.192 3.723 4.490 1.00 0.00 O ATOM 1798 CB TRP A 121 -2.515 6.500 3.707 1.00 0.00 C ATOM 1799 CG TRP A 121 -1.965 7.238 2.510 1.00 0.00 C ATOM 1800 CD1 TRP A 121 -2.054 8.573 2.249 1.00 0.00 C ATOM 1801 CD2 TRP A 121 -1.238 6.673 1.416 1.00 0.00 C ATOM 1802 NE1 TRP A 121 -1.438 8.870 1.070 1.00 0.00 N ATOM 1803 CE2 TRP A 121 -0.929 7.724 0.537 1.00 0.00 C ATOM 1804 CE3 TRP A 121 -0.818 5.381 1.098 1.00 0.00 C ATOM 1805 CZ2 TRP A 121 -0.224 7.526 -0.637 1.00 0.00 C ATOM 1806 CZ3 TRP A 121 -0.118 5.183 -0.066 1.00 0.00 C ATOM 1807 CH2 TRP A 121 0.171 6.252 -0.922 1.00 0.00 C ATOM 0 H TRP A 121 -4.549 7.869 3.413 1.00 0.00 H new ATOM 0 HA TRP A 121 -3.870 5.272 2.555 1.00 0.00 H new ATOM 0 HB2 TRP A 121 -2.580 7.189 4.549 1.00 0.00 H new ATOM 0 HB3 TRP A 121 -1.815 5.714 3.992 1.00 0.00 H new ATOM 0 HD1 TRP A 121 -2.544 9.294 2.887 1.00 0.00 H new ATOM 0 HE1 TRP A 121 -1.369 9.799 0.654 1.00 0.00 H new ATOM 0 HE3 TRP A 121 -1.039 4.553 1.755 1.00 0.00 H new ATOM 0 HZ2 TRP A 121 0.004 8.347 -1.301 1.00 0.00 H new ATOM 0 HZ3 TRP A 121 0.214 4.189 -0.325 1.00 0.00 H new ATOM 0 HH2 TRP A 121 0.721 6.063 -1.832 1.00 0.00 H new ATOM 1818 N GLN A 122 -4.690 5.539 5.766 1.00 0.00 N ATOM 1819 CA GLN A 122 -5.135 4.782 6.955 1.00 0.00 C ATOM 1820 C GLN A 122 -6.347 3.898 6.604 1.00 0.00 C ATOM 1821 O GLN A 122 -6.443 2.765 7.056 1.00 0.00 O ATOM 1822 CB GLN A 122 -5.496 5.744 8.128 1.00 0.00 C ATOM 1823 CG GLN A 122 -5.748 5.055 9.486 1.00 0.00 C ATOM 1824 CD GLN A 122 -4.510 4.360 10.069 1.00 0.00 C ATOM 1825 OE1 GLN A 122 -3.380 4.795 9.869 1.00 0.00 O ATOM 1826 NE2 GLN A 122 -4.709 3.275 10.792 1.00 0.00 N ATOM 0 H GLN A 122 -4.727 6.551 5.886 1.00 0.00 H new ATOM 0 HA GLN A 122 -4.312 4.144 7.277 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -4.687 6.465 8.248 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -6.387 6.308 7.853 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -6.105 5.798 10.199 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -6.544 4.319 9.367 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -5.657 2.931 10.945 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -3.915 2.780 11.198 1.00 0.00 H new ATOM 1835 N GLY A 123 -7.262 4.446 5.782 1.00 0.00 N ATOM 1836 CA GLY A 123 -8.426 3.702 5.291 1.00 0.00 C ATOM 1837 C GLY A 123 -8.049 2.462 4.476 1.00 0.00 C ATOM 1838 O GLY A 123 -8.630 1.389 4.662 1.00 0.00 O ATOM 0 H GLY A 123 -7.212 5.408 5.445 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.039 3.399 6.139 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -9.037 4.362 4.675 1.00 0.00 H new ATOM 1842 N ILE A 124 -7.050 2.618 3.589 1.00 0.00 N ATOM 1843 CA ILE A 124 -6.533 1.521 2.739 1.00 0.00 C ATOM 1844 C ILE A 124 -5.763 0.488 3.598 1.00 0.00 C ATOM 1845 O ILE A 124 -5.799 -0.714 3.324 1.00 0.00 O ATOM 1846 CB ILE A 124 -5.608 2.101 1.594 1.00 0.00 C ATOM 1847 CG1 ILE A 124 -6.426 3.071 0.675 1.00 0.00 C ATOM 1848 CG2 ILE A 124 -4.945 0.978 0.756 1.00 0.00 C ATOM 1849 CD1 ILE A 124 -5.625 3.776 -0.411 1.00 0.00 C ATOM 0 H ILE A 124 -6.575 3.508 3.438 1.00 0.00 H new ATOM 0 HA ILE A 124 -7.377 1.014 2.272 1.00 0.00 H new ATOM 0 HB ILE A 124 -4.804 2.660 2.072 1.00 0.00 H new ATOM 0 HG12 ILE A 124 -7.228 2.505 0.201 1.00 0.00 H new ATOM 0 HG13 ILE A 124 -6.898 3.827 1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 124 -4.319 1.423 -0.018 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -4.331 0.354 1.405 1.00 0.00 H new ATOM 0 HG23 ILE A 124 -5.718 0.367 0.291 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -6.286 4.422 -0.989 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -4.840 4.377 0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -5.175 3.034 -1.071 1.00 0.00 H new ATOM 1861 N LEU A 125 -5.105 0.984 4.657 1.00 0.00 N ATOM 1862 CA LEU A 125 -4.260 0.174 5.547 1.00 0.00 C ATOM 1863 C LEU A 125 -5.125 -0.705 6.478 1.00 0.00 C ATOM 1864 O LEU A 125 -4.792 -1.863 6.725 1.00 0.00 O ATOM 1865 CB LEU A 125 -3.319 1.108 6.352 1.00 0.00 C ATOM 1866 CG LEU A 125 -2.273 0.417 7.279 1.00 0.00 C ATOM 1867 CD1 LEU A 125 -1.359 -0.567 6.497 1.00 0.00 C ATOM 1868 CD2 LEU A 125 -1.440 1.475 8.042 1.00 0.00 C ATOM 0 H LEU A 125 -5.145 1.968 4.922 1.00 0.00 H new ATOM 0 HA LEU A 125 -3.649 -0.502 4.949 1.00 0.00 H new ATOM 0 HB2 LEU A 125 -2.782 1.741 5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 125 -3.935 1.766 6.965 1.00 0.00 H new ATOM 0 HG LEU A 125 -2.822 -0.178 8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 125 -0.646 -1.025 7.183 1.00 0.00 H new ATOM 0 HD12 LEU A 125 -1.970 -1.344 6.037 1.00 0.00 H new ATOM 0 HD13 LEU A 125 -0.819 -0.024 5.722 1.00 0.00 H new ATOM 0 HD21 LEU A 125 -0.715 0.974 8.684 1.00 0.00 H new ATOM 0 HD22 LEU A 125 -0.915 2.109 7.328 1.00 0.00 H new ATOM 0 HD23 LEU A 125 -2.102 2.088 8.653 1.00 0.00 H new ATOM 1880 N ASP A 126 -6.216 -0.126 7.003 1.00 0.00 N ATOM 1881 CA ASP A 126 -7.234 -0.862 7.786 1.00 0.00 C ATOM 1882 C ASP A 126 -8.011 -1.838 6.902 1.00 0.00 C ATOM 1883 O ASP A 126 -8.434 -2.886 7.373 1.00 0.00 O ATOM 1884 CB ASP A 126 -8.229 0.112 8.487 1.00 0.00 C ATOM 1885 CG ASP A 126 -7.665 0.779 9.747 1.00 0.00 C ATOM 1886 OD1 ASP A 126 -6.940 1.777 9.633 1.00 0.00 O ATOM 1887 OD2 ASP A 126 -7.932 0.299 10.870 1.00 0.00 O ATOM 0 H ASP A 126 -6.422 0.868 6.899 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.700 -1.425 8.551 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -8.523 0.887 7.779 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -9.133 -0.437 8.752 1.00 0.00 H new ATOM 1892 N ASN A 127 -8.199 -1.482 5.627 1.00 0.00 N ATOM 1893 CA ASN A 127 -8.919 -2.328 4.652 1.00 0.00 C ATOM 1894 C ASN A 127 -8.047 -3.549 4.269 1.00 0.00 C ATOM 1895 O ASN A 127 -8.558 -4.646 4.022 1.00 0.00 O ATOM 1896 CB ASN A 127 -9.285 -1.474 3.413 1.00 0.00 C ATOM 1897 CG ASN A 127 -10.128 -2.214 2.374 1.00 0.00 C ATOM 1898 OD1 ASN A 127 -9.593 -2.814 1.450 1.00 0.00 O ATOM 1899 ND2 ASN A 127 -11.450 -2.191 2.520 1.00 0.00 N ATOM 0 H ASN A 127 -7.860 -0.603 5.236 1.00 0.00 H new ATOM 0 HA ASN A 127 -9.841 -2.708 5.091 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -9.828 -0.588 3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -8.367 -1.127 2.940 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -12.045 -2.681 1.853 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -11.868 -1.683 3.299 1.00 0.00 H new ATOM 1906 N PHE A 128 -6.723 -3.323 4.239 1.00 0.00 N ATOM 1907 CA PHE A 128 -5.723 -4.374 4.004 1.00 0.00 C ATOM 1908 C PHE A 128 -5.621 -5.295 5.234 1.00 0.00 C ATOM 1909 O PHE A 128 -5.682 -6.513 5.105 1.00 0.00 O ATOM 1910 CB PHE A 128 -4.342 -3.733 3.691 1.00 0.00 C ATOM 1911 CG PHE A 128 -3.193 -4.740 3.565 1.00 0.00 C ATOM 1912 CD1 PHE A 128 -3.233 -5.750 2.606 1.00 0.00 C ATOM 1913 CD2 PHE A 128 -2.093 -4.686 4.415 1.00 0.00 C ATOM 1914 CE1 PHE A 128 -2.210 -6.662 2.495 1.00 0.00 C ATOM 1915 CE2 PHE A 128 -1.069 -5.603 4.304 1.00 0.00 C ATOM 1916 CZ PHE A 128 -1.129 -6.590 3.345 1.00 0.00 C ATOM 0 H PHE A 128 -6.315 -2.398 4.378 1.00 0.00 H new ATOM 0 HA PHE A 128 -6.033 -4.973 3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 128 -4.419 -3.169 2.761 1.00 0.00 H new ATOM 0 HB3 PHE A 128 -4.099 -3.019 4.478 1.00 0.00 H new ATOM 0 HD1 PHE A 128 -4.080 -5.818 1.940 1.00 0.00 H new ATOM 0 HD2 PHE A 128 -2.040 -3.917 5.171 1.00 0.00 H new ATOM 0 HE1 PHE A 128 -2.254 -7.434 1.742 1.00 0.00 H new ATOM 0 HE2 PHE A 128 -0.220 -5.547 4.969 1.00 0.00 H new ATOM 0 HZ PHE A 128 -0.327 -7.308 3.260 1.00 0.00 H new ATOM 1926 N LYS A 129 -5.460 -4.675 6.415 1.00 0.00 N ATOM 1927 CA LYS A 129 -5.328 -5.368 7.710 1.00 0.00 C ATOM 1928 C LYS A 129 -6.536 -6.276 7.963 1.00 0.00 C ATOM 1929 O LYS A 129 -6.374 -7.438 8.305 1.00 0.00 O ATOM 1930 CB LYS A 129 -5.209 -4.317 8.842 1.00 0.00 C ATOM 1931 CG LYS A 129 -5.189 -4.886 10.286 1.00 0.00 C ATOM 1932 CD LYS A 129 -5.319 -3.777 11.355 1.00 0.00 C ATOM 1933 CE LYS A 129 -6.627 -2.980 11.208 1.00 0.00 C ATOM 1934 NZ LYS A 129 -6.743 -1.914 12.225 1.00 0.00 N ATOM 0 H LYS A 129 -5.417 -3.659 6.499 1.00 0.00 H new ATOM 0 HA LYS A 129 -4.433 -5.989 7.690 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -4.297 -3.742 8.685 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -6.044 -3.621 8.756 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -6.005 -5.599 10.404 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -4.260 -5.434 10.445 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -5.278 -4.225 12.348 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -4.470 -3.097 11.276 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -6.672 -2.538 10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -7.476 -3.658 11.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -7.162 -1.066 11.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -7.350 -2.241 13.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -5.799 -1.684 12.596 1.00 0.00 H new ATOM 1948 N ARG A 130 -7.737 -5.704 7.784 1.00 0.00 N ATOM 1949 CA ARG A 130 -9.021 -6.415 7.951 1.00 0.00 C ATOM 1950 C ARG A 130 -9.112 -7.627 7.011 1.00 0.00 C ATOM 1951 O ARG A 130 -9.608 -8.686 7.403 1.00 0.00 O ATOM 1952 CB ARG A 130 -10.207 -5.437 7.720 1.00 0.00 C ATOM 1953 CG ARG A 130 -11.618 -6.060 7.819 1.00 0.00 C ATOM 1954 CD ARG A 130 -12.730 -4.999 7.890 1.00 0.00 C ATOM 1955 NE ARG A 130 -12.625 -4.183 9.111 1.00 0.00 N ATOM 1956 CZ ARG A 130 -13.373 -3.106 9.400 1.00 0.00 C ATOM 1957 NH1 ARG A 130 -14.319 -2.669 8.566 1.00 0.00 N ATOM 1958 NH2 ARG A 130 -13.197 -2.497 10.558 1.00 0.00 N ATOM 0 H ARG A 130 -7.849 -4.726 7.517 1.00 0.00 H new ATOM 0 HA ARG A 130 -9.076 -6.791 8.973 1.00 0.00 H new ATOM 0 HB2 ARG A 130 -10.135 -4.629 8.448 1.00 0.00 H new ATOM 0 HB3 ARG A 130 -10.097 -4.988 6.733 1.00 0.00 H new ATOM 0 HG2 ARG A 130 -11.789 -6.703 6.955 1.00 0.00 H new ATOM 0 HG3 ARG A 130 -11.670 -6.695 8.704 1.00 0.00 H new ATOM 0 HD2 ARG A 130 -12.673 -4.353 7.014 1.00 0.00 H new ATOM 0 HD3 ARG A 130 -13.703 -5.489 7.862 1.00 0.00 H new ATOM 0 HE ARG A 130 -11.923 -4.460 9.797 1.00 0.00 H new ATOM 0 HH11 ARG A 130 -14.487 -3.156 7.686 1.00 0.00 H new ATOM 0 HH12 ARG A 130 -14.874 -1.848 8.809 1.00 0.00 H new ATOM 0 HH21 ARG A 130 -12.501 -2.846 11.217 1.00 0.00 H new ATOM 0 HH22 ARG A 130 -13.757 -1.677 10.793 1.00 0.00 H new ATOM 1972 N TYR A 131 -8.601 -7.458 5.781 1.00 0.00 N ATOM 1973 CA TYR A 131 -8.571 -8.524 4.771 1.00 0.00 C ATOM 1974 C TYR A 131 -7.701 -9.705 5.243 1.00 0.00 C ATOM 1975 O TYR A 131 -8.170 -10.840 5.276 1.00 0.00 O ATOM 1976 CB TYR A 131 -8.067 -7.968 3.408 1.00 0.00 C ATOM 1977 CG TYR A 131 -7.880 -9.043 2.322 1.00 0.00 C ATOM 1978 CD1 TYR A 131 -8.967 -9.797 1.868 1.00 0.00 C ATOM 1979 CD2 TYR A 131 -6.623 -9.324 1.780 1.00 0.00 C ATOM 1980 CE1 TYR A 131 -8.804 -10.785 0.926 1.00 0.00 C ATOM 1981 CE2 TYR A 131 -6.463 -10.310 0.829 1.00 0.00 C ATOM 1982 CZ TYR A 131 -7.556 -11.040 0.406 1.00 0.00 C ATOM 1983 OH TYR A 131 -7.403 -12.029 -0.543 1.00 0.00 O ATOM 0 H TYR A 131 -8.197 -6.578 5.460 1.00 0.00 H new ATOM 0 HA TYR A 131 -9.587 -8.895 4.633 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -8.775 -7.222 3.048 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -7.117 -7.456 3.565 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -9.952 -9.600 2.265 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.763 -8.760 2.111 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -9.655 -11.361 0.594 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -5.485 -10.511 0.416 1.00 0.00 H new ATOM 0 HH TYR A 131 -6.490 -12.003 -0.898 1.00 0.00 H new ATOM 1993 N VAL A 132 -6.454 -9.406 5.625 1.00 0.00 N ATOM 1994 CA VAL A 132 -5.447 -10.428 5.976 1.00 0.00 C ATOM 1995 C VAL A 132 -5.831 -11.151 7.289 1.00 0.00 C ATOM 1996 O VAL A 132 -5.761 -12.381 7.373 1.00 0.00 O ATOM 1997 CB VAL A 132 -4.019 -9.773 6.100 1.00 0.00 C ATOM 1998 CG1 VAL A 132 -2.924 -10.803 6.452 1.00 0.00 C ATOM 1999 CG2 VAL A 132 -3.648 -9.007 4.811 1.00 0.00 C ATOM 0 H VAL A 132 -6.109 -8.449 5.701 1.00 0.00 H new ATOM 0 HA VAL A 132 -5.419 -11.169 5.177 1.00 0.00 H new ATOM 0 HB VAL A 132 -4.071 -9.065 6.927 1.00 0.00 H new ATOM 0 HG11 VAL A 132 -1.960 -10.299 6.525 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -3.161 -11.274 7.406 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -2.877 -11.564 5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 132 -2.658 -8.565 4.923 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -3.644 -9.696 3.967 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -4.380 -8.219 4.633 1.00 0.00 H new ATOM 2009 N GLU A 133 -6.259 -10.356 8.291 1.00 0.00 N ATOM 2010 CA GLU A 133 -6.691 -10.840 9.612 1.00 0.00 C ATOM 2011 C GLU A 133 -7.890 -11.801 9.466 1.00 0.00 C ATOM 2012 O GLU A 133 -7.852 -12.929 9.969 1.00 0.00 O ATOM 2013 CB GLU A 133 -7.043 -9.599 10.495 1.00 0.00 C ATOM 2014 CG GLU A 133 -7.163 -9.818 12.022 1.00 0.00 C ATOM 2015 CD GLU A 133 -8.461 -10.516 12.491 1.00 0.00 C ATOM 2016 OE1 GLU A 133 -9.565 -10.065 12.109 1.00 0.00 O ATOM 2017 OE2 GLU A 133 -8.392 -11.513 13.247 1.00 0.00 O ATOM 0 H GLU A 133 -6.314 -9.342 8.200 1.00 0.00 H new ATOM 0 HA GLU A 133 -5.892 -11.404 10.094 1.00 0.00 H new ATOM 0 HB2 GLU A 133 -6.282 -8.838 10.323 1.00 0.00 H new ATOM 0 HB3 GLU A 133 -7.989 -9.190 10.139 1.00 0.00 H new ATOM 0 HG2 GLU A 133 -6.311 -10.411 12.355 1.00 0.00 H new ATOM 0 HG3 GLU A 133 -7.091 -8.850 12.518 1.00 0.00 H new ATOM 2024 N ALA A 134 -8.932 -11.355 8.734 1.00 0.00 N ATOM 2025 CA ALA A 134 -10.190 -12.126 8.564 1.00 0.00 C ATOM 2026 C ALA A 134 -9.958 -13.380 7.700 1.00 0.00 C ATOM 2027 O ALA A 134 -10.611 -14.412 7.903 1.00 0.00 O ATOM 2028 CB ALA A 134 -11.293 -11.245 7.956 1.00 0.00 C ATOM 0 H ALA A 134 -8.930 -10.459 8.247 1.00 0.00 H new ATOM 0 HA ALA A 134 -10.518 -12.452 9.551 1.00 0.00 H new ATOM 0 HB1 ALA A 134 -12.205 -11.831 7.841 1.00 0.00 H new ATOM 0 HB2 ALA A 134 -11.487 -10.398 8.615 1.00 0.00 H new ATOM 0 HB3 ALA A 134 -10.971 -10.880 6.981 1.00 0.00 H new ATOM 2034 N ALA A 135 -9.025 -13.272 6.737 1.00 0.00 N ATOM 2035 CA ALA A 135 -8.649 -14.387 5.839 1.00 0.00 C ATOM 2036 C ALA A 135 -7.920 -15.487 6.622 1.00 0.00 C ATOM 2037 O ALA A 135 -8.056 -16.675 6.305 1.00 0.00 O ATOM 2038 CB ALA A 135 -7.782 -13.882 4.675 1.00 0.00 C ATOM 0 H ALA A 135 -8.509 -12.411 6.557 1.00 0.00 H new ATOM 0 HA ALA A 135 -9.562 -14.811 5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 135 -7.518 -14.719 4.028 1.00 0.00 H new ATOM 0 HB2 ALA A 135 -8.339 -13.142 4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 135 -6.873 -13.427 5.069 1.00 0.00 H new ATOM 2044 N GLY A 136 -7.161 -15.064 7.653 1.00 0.00 N ATOM 2045 CA GLY A 136 -6.433 -15.985 8.517 1.00 0.00 C ATOM 2046 C GLY A 136 -5.366 -16.755 7.758 1.00 0.00 C ATOM 2047 O GLY A 136 -5.329 -17.993 7.794 1.00 0.00 O ATOM 0 H GLY A 136 -7.043 -14.081 7.900 1.00 0.00 H new ATOM 0 HA2 GLY A 136 -5.968 -15.428 9.331 1.00 0.00 H new ATOM 0 HA3 GLY A 136 -7.133 -16.687 8.970 1.00 0.00 H new ATOM 2051 N LEU A 137 -4.471 -16.005 7.095 1.00 0.00 N ATOM 2052 CA LEU A 137 -3.448 -16.548 6.170 1.00 0.00 C ATOM 2053 C LEU A 137 -2.312 -17.324 6.892 1.00 0.00 C ATOM 2054 O LEU A 137 -1.317 -17.695 6.266 1.00 0.00 O ATOM 2055 CB LEU A 137 -2.872 -15.385 5.317 1.00 0.00 C ATOM 2056 CG LEU A 137 -3.887 -14.608 4.412 1.00 0.00 C ATOM 2057 CD1 LEU A 137 -3.194 -13.446 3.657 1.00 0.00 C ATOM 2058 CD2 LEU A 137 -4.609 -15.564 3.430 1.00 0.00 C ATOM 0 H LEU A 137 -4.432 -14.990 7.184 1.00 0.00 H new ATOM 0 HA LEU A 137 -3.938 -17.280 5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.400 -14.670 5.991 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -2.086 -15.788 4.678 1.00 0.00 H new ATOM 0 HG LEU A 137 -4.643 -14.172 5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 137 -3.926 -12.927 3.038 1.00 0.00 H new ATOM 0 HD12 LEU A 137 -2.767 -12.748 4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 137 -2.401 -13.845 3.024 1.00 0.00 H new ATOM 0 HD21 LEU A 137 -5.307 -14.995 2.816 1.00 0.00 H new ATOM 0 HD22 LEU A 137 -3.874 -16.050 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -5.155 -16.320 3.994 1.00 0.00 H new ATOM 2070 N GLU A 138 -2.491 -17.575 8.202 1.00 0.00 N ATOM 2071 CA GLU A 138 -1.619 -18.445 9.021 1.00 0.00 C ATOM 2072 C GLU A 138 -1.931 -19.942 8.809 1.00 0.00 C ATOM 2073 O GLU A 138 -1.350 -20.783 9.496 1.00 0.00 O ATOM 2074 CB GLU A 138 -1.818 -18.114 10.521 1.00 0.00 C ATOM 2075 CG GLU A 138 -3.267 -18.319 11.014 1.00 0.00 C ATOM 2076 CD GLU A 138 -3.430 -18.245 12.540 1.00 0.00 C ATOM 2077 OE1 GLU A 138 -3.222 -19.270 13.222 1.00 0.00 O ATOM 2078 OE2 GLU A 138 -3.765 -17.170 13.060 1.00 0.00 O ATOM 0 H GLU A 138 -3.262 -17.171 8.734 1.00 0.00 H new ATOM 0 HA GLU A 138 -0.591 -18.257 8.711 1.00 0.00 H new ATOM 0 HB2 GLU A 138 -1.150 -18.739 11.114 1.00 0.00 H new ATOM 0 HB3 GLU A 138 -1.526 -17.079 10.698 1.00 0.00 H new ATOM 0 HG2 GLU A 138 -3.905 -17.564 10.555 1.00 0.00 H new ATOM 0 HG3 GLU A 138 -3.622 -19.290 10.669 1.00 0.00 H new ATOM 2085 N HIS A 139 -2.868 -20.262 7.890 1.00 0.00 N ATOM 2086 CA HIS A 139 -3.299 -21.645 7.637 1.00 0.00 C ATOM 2087 C HIS A 139 -2.119 -22.511 7.145 1.00 0.00 C ATOM 2088 O HIS A 139 -1.793 -22.542 5.952 1.00 0.00 O ATOM 2089 CB HIS A 139 -4.492 -21.693 6.643 1.00 0.00 C ATOM 2090 CG HIS A 139 -4.970 -23.099 6.348 1.00 0.00 C ATOM 2091 ND1 HIS A 139 -4.395 -23.891 5.378 1.00 0.00 N ATOM 2092 CD2 HIS A 139 -5.929 -23.863 6.932 1.00 0.00 C ATOM 2093 CE1 HIS A 139 -4.965 -25.075 5.381 1.00 0.00 C ATOM 2094 NE2 HIS A 139 -5.897 -25.091 6.309 1.00 0.00 N ATOM 0 H HIS A 139 -3.341 -19.570 7.309 1.00 0.00 H new ATOM 0 HA HIS A 139 -3.647 -22.064 8.581 1.00 0.00 H new ATOM 0 HB2 HIS A 139 -5.320 -21.114 7.052 1.00 0.00 H new ATOM 0 HB3 HIS A 139 -4.198 -21.213 5.709 1.00 0.00 H new ATOM 0 HD2 HIS A 139 -6.590 -23.565 7.732 1.00 0.00 H new ATOM 0 HE1 HIS A 139 -4.711 -25.898 4.730 1.00 0.00 H new ATOM 0 HE2 HIS A 139 -6.499 -25.884 6.531 1.00 0.00 H new ATOM 2103 N HIS A 140 -1.466 -23.168 8.109 1.00 0.00 N ATOM 2104 CA HIS A 140 -0.415 -24.160 7.850 1.00 0.00 C ATOM 2105 C HIS A 140 -1.055 -25.534 7.593 1.00 0.00 C ATOM 2106 O HIS A 140 -2.286 -25.678 7.706 1.00 0.00 O ATOM 2107 CB HIS A 140 0.561 -24.223 9.049 1.00 0.00 C ATOM 2108 CG HIS A 140 1.242 -22.915 9.354 1.00 0.00 C ATOM 2109 ND1 HIS A 140 1.008 -22.185 10.502 1.00 0.00 N ATOM 2110 CD2 HIS A 140 2.147 -22.211 8.647 1.00 0.00 C ATOM 2111 CE1 HIS A 140 1.742 -21.089 10.477 1.00 0.00 C ATOM 2112 NE2 HIS A 140 2.442 -21.085 9.363 1.00 0.00 N ATOM 0 H HIS A 140 -1.653 -23.025 9.101 1.00 0.00 H new ATOM 0 HA HIS A 140 0.151 -23.868 6.965 1.00 0.00 H new ATOM 0 HB2 HIS A 140 0.014 -24.551 9.933 1.00 0.00 H new ATOM 0 HB3 HIS A 140 1.321 -24.978 8.847 1.00 0.00 H new ATOM 0 HD1 HIS A 140 0.369 -22.451 11.251 1.00 0.00 H new ATOM 0 HD2 HIS A 140 2.563 -22.486 7.689 1.00 0.00 H new ATOM 0 HE1 HIS A 140 1.764 -20.326 11.241 1.00 0.00 H new ATOM 2121 N HIS A 141 -0.209 -26.525 7.239 1.00 0.00 N ATOM 2122 CA HIS A 141 -0.652 -27.898 6.899 1.00 0.00 C ATOM 2123 C HIS A 141 -1.584 -27.853 5.666 1.00 0.00 C ATOM 2124 O HIS A 141 -2.817 -27.775 5.793 1.00 0.00 O ATOM 2125 CB HIS A 141 -1.325 -28.603 8.123 1.00 0.00 C ATOM 2126 CG HIS A 141 -1.923 -29.963 7.830 1.00 0.00 C ATOM 2127 ND1 HIS A 141 -3.231 -30.134 7.413 1.00 0.00 N ATOM 2128 CD2 HIS A 141 -1.390 -31.203 7.892 1.00 0.00 C ATOM 2129 CE1 HIS A 141 -3.467 -31.413 7.228 1.00 0.00 C ATOM 2130 NE2 HIS A 141 -2.373 -32.086 7.510 1.00 0.00 N ATOM 0 H HIS A 141 0.801 -26.398 7.180 1.00 0.00 H new ATOM 0 HA HIS A 141 0.221 -28.499 6.644 1.00 0.00 H new ATOM 0 HB2 HIS A 141 -0.582 -28.712 8.913 1.00 0.00 H new ATOM 0 HB3 HIS A 141 -2.110 -27.954 8.510 1.00 0.00 H new ATOM 0 HD2 HIS A 141 -0.382 -31.454 8.186 1.00 0.00 H new ATOM 0 HE1 HIS A 141 -4.403 -31.840 6.899 1.00 0.00 H new ATOM 0 HE2 HIS A 141 -2.270 -33.099 7.454 1.00 0.00 H new ATOM 2139 N HIS A 142 -0.966 -27.831 4.478 1.00 0.00 N ATOM 2140 CA HIS A 142 -1.688 -27.713 3.205 1.00 0.00 C ATOM 2141 C HIS A 142 -0.780 -28.108 2.022 1.00 0.00 C ATOM 2142 O HIS A 142 0.378 -28.481 2.224 1.00 0.00 O ATOM 2143 CB HIS A 142 -2.251 -26.272 3.027 1.00 0.00 C ATOM 2144 CG HIS A 142 -1.213 -25.185 2.834 1.00 0.00 C ATOM 2145 ND1 HIS A 142 -0.923 -24.628 1.603 1.00 0.00 N ATOM 2146 CD2 HIS A 142 -0.435 -24.532 3.728 1.00 0.00 C ATOM 2147 CE1 HIS A 142 -0.014 -23.683 1.755 1.00 0.00 C ATOM 2148 NE2 HIS A 142 0.298 -23.601 3.031 1.00 0.00 N ATOM 0 H HIS A 142 0.047 -27.894 4.373 1.00 0.00 H new ATOM 0 HA HIS A 142 -2.531 -28.404 3.222 1.00 0.00 H new ATOM 0 HB2 HIS A 142 -2.922 -26.266 2.168 1.00 0.00 H new ATOM 0 HB3 HIS A 142 -2.852 -26.025 3.902 1.00 0.00 H new ATOM 0 HD2 HIS A 142 -0.397 -24.709 4.793 1.00 0.00 H new ATOM 0 HE1 HIS A 142 0.404 -23.078 0.964 1.00 0.00 H new ATOM 0 HE2 HIS A 142 0.973 -22.953 3.436 1.00 0.00 H new ATOM 2157 N HIS A 143 -1.334 -28.038 0.794 1.00 0.00 N ATOM 2158 CA HIS A 143 -0.635 -28.433 -0.448 1.00 0.00 C ATOM 2159 C HIS A 143 -1.382 -27.851 -1.672 1.00 0.00 C ATOM 2160 O HIS A 143 -0.825 -27.061 -2.436 1.00 0.00 O ATOM 2161 CB HIS A 143 -0.497 -29.992 -0.545 1.00 0.00 C ATOM 2162 CG HIS A 143 -1.772 -30.761 -0.268 1.00 0.00 C ATOM 2163 ND1 HIS A 143 -2.684 -31.080 -1.243 1.00 0.00 N ATOM 2164 CD2 HIS A 143 -2.295 -31.223 0.897 1.00 0.00 C ATOM 2165 CE1 HIS A 143 -3.713 -31.701 -0.695 1.00 0.00 C ATOM 2166 NE2 HIS A 143 -3.501 -31.800 0.600 1.00 0.00 N ATOM 0 H HIS A 143 -2.284 -27.704 0.635 1.00 0.00 H new ATOM 0 HA HIS A 143 0.375 -28.024 -0.433 1.00 0.00 H new ATOM 0 HB2 HIS A 143 -0.143 -30.250 -1.543 1.00 0.00 H new ATOM 0 HB3 HIS A 143 0.268 -30.319 0.159 1.00 0.00 H new ATOM 0 HD2 HIS A 143 -1.844 -31.149 1.875 1.00 0.00 H new ATOM 0 HE1 HIS A 143 -4.582 -32.066 -1.221 1.00 0.00 H new ATOM 0 HE2 HIS A 143 -4.132 -32.235 1.273 1.00 0.00 H new ATOM 2175 N HIS A 144 -2.662 -28.233 -1.822 1.00 0.00 N ATOM 2176 CA HIS A 144 -3.539 -27.837 -2.948 1.00 0.00 C ATOM 2177 C HIS A 144 -5.001 -27.890 -2.447 1.00 0.00 C ATOM 2178 O HIS A 144 -5.694 -26.855 -2.460 1.00 0.00 O ATOM 2179 CB HIS A 144 -3.376 -28.766 -4.194 1.00 0.00 C ATOM 2180 CG HIS A 144 -2.070 -28.614 -4.939 1.00 0.00 C ATOM 2181 ND1 HIS A 144 -1.835 -27.603 -5.847 1.00 0.00 N ATOM 2182 CD2 HIS A 144 -0.924 -29.341 -4.891 1.00 0.00 C ATOM 2183 CE1 HIS A 144 -0.611 -27.716 -6.323 1.00 0.00 C ATOM 2184 NE2 HIS A 144 -0.037 -28.758 -5.759 1.00 0.00 N ATOM 2185 OXT HIS A 144 -5.432 -28.973 -1.999 1.00 0.00 O ATOM 0 H HIS A 144 -3.131 -28.840 -1.150 1.00 0.00 H new ATOM 0 HA HIS A 144 -3.260 -26.833 -3.269 1.00 0.00 H new ATOM 0 HB2 HIS A 144 -3.474 -29.802 -3.871 1.00 0.00 H new ATOM 0 HB3 HIS A 144 -4.196 -28.569 -4.885 1.00 0.00 H new ATOM 0 HD2 HIS A 144 -0.745 -30.215 -4.283 1.00 0.00 H new ATOM 0 HE1 HIS A 144 -0.155 -27.063 -7.053 1.00 0.00 H new ATOM 0 HE2 HIS A 144 0.914 -29.080 -5.939 1.00 0.00 H new TER 2194 HIS A 144