USER MOD reduce.3.24.130724 H: found=0, std=0, add=782, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 782 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 70 HIS : +bothHN:sc= 0.522! C(o=1.7!,f=-11!) USER MOD Set 1.2: A 86 THR OG1 : rot -111:sc= 1.23 USER MOD Set 2.1: A 13 HIS : no HE2:sc= -0.974 X(o=-1.9,f=-2.1!) USER MOD Set 2.2: A 64 ASN : amide:sc= -0.911 X(o=-1.9,f=-2.1) USER MOD Set 3.1: A 20 LYS NZ :NH3+ -174:sc= 0.119 (180deg=0) USER MOD Set 3.2: A 21 SER OG : rot 180:sc= -1.34 USER MOD Set 4.1: A 7 HIS : no HE2:sc= 1.17 K(o=2.4,f=-2.4!) USER MOD Set 4.2: A 9 SER OG : rot 71:sc= 1.27 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -161:sc= 1.17 (180deg=0.151!) USER MOD Single : A 24 SER OG : rot 36:sc= 1.17 USER MOD Single : A 27 ASN : amide:sc= -1.41 K(o=-1.4,f=-4.1!) USER MOD Single : A 32 SER OG : rot 48:sc= 0.102 USER MOD Single : A 33 TYR OH : rot 149:sc= 0.103 USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-0.95,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -11.4! C(o=-11!,f=-13!) USER MOD Single : A 40 GLN : amide:sc= -1.89 K(o=-1.9,f=-4.1!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 59 HIS :FLIP no HE2:sc= -0.335 F(o=-1.4,f=-0.34) USER MOD Single : A 62 GLN :FLIP amide:sc= -1.73! C(o=-2.8!,f=-1.7!) USER MOD Single : A 67 MET CE :methyl 158:sc= -0.117 (180deg=-0.634) USER MOD Single : A 77 LYS NZ :NH3+ -117:sc= 1.04 (180deg=-1.3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= 0.478 K(o=0.48,f=-0.22) USER MOD Single : A 91 LYS NZ :NH3+ 164:sc= 1.3 (180deg=0.962) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0319 USER MOD Single : A 98 GLN : amide:sc= -0.299 K(o=-0.3,f=-3.8!) USER MOD Single : A 101 SER OG : rot 180:sc= 0.295 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.612 -10.223 11.169 1.00 0.00 N ATOM 2 CA GLY A 1 6.425 -11.253 11.859 1.00 0.00 C ATOM 3 C GLY A 1 5.571 -12.312 12.523 1.00 0.00 C ATOM 4 O GLY A 1 4.780 -12.005 13.415 1.00 0.00 O ATOM 0 H1 GLY A 1 6.241 -9.521 10.730 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.031 -10.674 10.434 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.993 -9.750 11.858 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.093 -11.727 11.140 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.053 -10.773 12.610 1.00 0.00 H new ATOM 10 N SER A 2 5.730 -13.557 12.087 1.00 0.00 N ATOM 11 CA SER A 2 4.993 -14.683 12.651 1.00 0.00 C ATOM 12 C SER A 2 5.438 -15.976 11.979 1.00 0.00 C ATOM 13 O SER A 2 6.106 -16.814 12.588 1.00 0.00 O ATOM 14 CB SER A 2 3.478 -14.496 12.479 1.00 0.00 C ATOM 15 OG SER A 2 2.757 -15.527 13.127 1.00 0.00 O ATOM 0 H SER A 2 6.370 -13.814 11.336 1.00 0.00 H new ATOM 0 HA SER A 2 5.208 -14.734 13.718 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.180 -13.530 12.886 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.229 -14.486 11.418 1.00 0.00 H new ATOM 0 HG SER A 2 1.796 -15.382 13.003 1.00 0.00 H new ATOM 21 N GLU A 3 5.079 -16.119 10.712 1.00 0.00 N ATOM 22 CA GLU A 3 5.473 -17.280 9.929 1.00 0.00 C ATOM 23 C GLU A 3 5.913 -16.852 8.536 1.00 0.00 C ATOM 24 O GLU A 3 6.721 -17.522 7.896 1.00 0.00 O ATOM 25 CB GLU A 3 4.331 -18.295 9.858 1.00 0.00 C ATOM 26 CG GLU A 3 3.008 -17.705 9.402 1.00 0.00 C ATOM 27 CD GLU A 3 1.857 -18.666 9.583 1.00 0.00 C ATOM 28 OE1 GLU A 3 1.263 -18.683 10.682 1.00 0.00 O ATOM 29 OE2 GLU A 3 1.550 -19.416 8.637 1.00 0.00 O ATOM 0 H GLU A 3 4.512 -15.441 10.202 1.00 0.00 H new ATOM 0 HA GLU A 3 6.318 -17.762 10.420 1.00 0.00 H new ATOM 0 HB2 GLU A 3 4.613 -19.097 9.176 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.197 -18.745 10.842 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.808 -16.792 9.963 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.081 -17.424 8.351 1.00 0.00 H new ATOM 36 N LYS A 4 5.376 -15.730 8.071 1.00 0.00 N ATOM 37 CA LYS A 4 5.845 -15.119 6.839 1.00 0.00 C ATOM 38 C LYS A 4 7.147 -14.369 7.115 1.00 0.00 C ATOM 39 O LYS A 4 7.139 -13.169 7.396 1.00 0.00 O ATOM 40 CB LYS A 4 4.781 -14.170 6.269 1.00 0.00 C ATOM 41 CG LYS A 4 5.195 -13.491 4.969 1.00 0.00 C ATOM 42 CD LYS A 4 4.122 -12.541 4.450 1.00 0.00 C ATOM 43 CE LYS A 4 3.787 -11.459 5.464 1.00 0.00 C ATOM 44 NZ LYS A 4 2.853 -10.445 4.909 1.00 0.00 N ATOM 0 H LYS A 4 4.616 -15.227 8.530 1.00 0.00 H new ATOM 0 HA LYS A 4 6.030 -15.896 6.097 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.862 -14.730 6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.555 -13.405 7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.121 -12.939 5.128 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.402 -14.250 4.214 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.463 -12.078 3.524 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.221 -13.106 4.211 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.342 -11.916 6.348 1.00 0.00 H new ATOM 0 HE3 LYS A 4 4.705 -10.968 5.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.651 -9.726 5.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.287 -9.990 4.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.966 -10.908 4.625 1.00 0.00 H new ATOM 58 N ARG A 5 8.254 -15.097 7.078 1.00 0.00 N ATOM 59 CA ARG A 5 9.568 -14.519 7.324 1.00 0.00 C ATOM 60 C ARG A 5 10.255 -14.147 6.020 1.00 0.00 C ATOM 61 O ARG A 5 9.664 -14.276 4.944 1.00 0.00 O ATOM 62 CB ARG A 5 10.442 -15.493 8.118 1.00 0.00 C ATOM 63 CG ARG A 5 10.133 -15.514 9.605 1.00 0.00 C ATOM 64 CD ARG A 5 10.339 -14.144 10.230 1.00 0.00 C ATOM 65 NE ARG A 5 11.709 -13.659 10.058 1.00 0.00 N ATOM 66 CZ ARG A 5 12.039 -12.373 9.903 1.00 0.00 C ATOM 67 NH1 ARG A 5 11.102 -11.435 9.901 1.00 0.00 N ATOM 68 NH2 ARG A 5 13.311 -12.026 9.755 1.00 0.00 N ATOM 0 H ARG A 5 8.268 -16.097 6.878 1.00 0.00 H new ATOM 0 HA ARG A 5 9.429 -13.610 7.910 1.00 0.00 H new ATOM 0 HB2 ARG A 5 10.312 -16.497 7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 5 11.489 -15.226 7.977 1.00 0.00 H new ATOM 0 HG2 ARG A 5 9.103 -15.836 9.760 1.00 0.00 H new ATOM 0 HG3 ARG A 5 10.773 -16.243 10.102 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.645 -13.434 9.781 1.00 0.00 H new ATOM 0 HD3 ARG A 5 10.103 -14.192 11.293 1.00 0.00 H new ATOM 0 HE ARG A 5 12.462 -14.348 10.056 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.122 -11.693 10.018 1.00 0.00 H new ATOM 0 HH12 ARG A 5 11.361 -10.456 9.782 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.038 -12.741 9.759 1.00 0.00 H new ATOM 0 HH22 ARG A 5 13.561 -11.044 9.637 1.00 0.00 H new ATOM 82 N GLN A 6 11.503 -13.688 6.131 1.00 0.00 N ATOM 83 CA GLN A 6 12.285 -13.246 4.981 1.00 0.00 C ATOM 84 C GLN A 6 11.635 -12.046 4.299 1.00 0.00 C ATOM 85 O GLN A 6 10.699 -11.436 4.822 1.00 0.00 O ATOM 86 CB GLN A 6 12.459 -14.389 3.974 1.00 0.00 C ATOM 87 CG GLN A 6 13.353 -15.515 4.469 1.00 0.00 C ATOM 88 CD GLN A 6 13.511 -16.623 3.445 1.00 0.00 C ATOM 89 OE1 GLN A 6 12.604 -16.894 2.654 1.00 0.00 O ATOM 90 NE2 GLN A 6 14.663 -17.276 3.450 1.00 0.00 N ATOM 0 H GLN A 6 11.997 -13.613 7.020 1.00 0.00 H new ATOM 0 HA GLN A 6 13.266 -12.943 5.346 1.00 0.00 H new ATOM 0 HB2 GLN A 6 11.478 -14.797 3.730 1.00 0.00 H new ATOM 0 HB3 GLN A 6 12.876 -13.987 3.051 1.00 0.00 H new ATOM 0 HG2 GLN A 6 14.335 -15.112 4.719 1.00 0.00 H new ATOM 0 HG3 GLN A 6 12.936 -15.929 5.387 1.00 0.00 H new ATOM 0 HE21 GLN A 6 15.390 -17.023 4.120 1.00 0.00 H new ATOM 0 HE22 GLN A 6 14.824 -18.032 2.784 1.00 0.00 H new ATOM 99 N HIS A 7 12.173 -11.688 3.152 1.00 0.00 N ATOM 100 CA HIS A 7 11.582 -10.663 2.315 1.00 0.00 C ATOM 101 C HIS A 7 11.706 -11.092 0.863 1.00 0.00 C ATOM 102 O HIS A 7 12.707 -11.699 0.482 1.00 0.00 O ATOM 103 CB HIS A 7 12.245 -9.292 2.548 1.00 0.00 C ATOM 104 CG HIS A 7 13.719 -9.236 2.265 1.00 0.00 C ATOM 105 ND1 HIS A 7 14.243 -8.706 1.106 1.00 0.00 N ATOM 106 CD2 HIS A 7 14.781 -9.620 3.011 1.00 0.00 C ATOM 107 CE1 HIS A 7 15.560 -8.771 1.151 1.00 0.00 C ATOM 108 NE2 HIS A 7 15.913 -9.319 2.296 1.00 0.00 N ATOM 0 H HIS A 7 13.028 -12.096 2.774 1.00 0.00 H new ATOM 0 HA HIS A 7 10.530 -10.549 2.575 1.00 0.00 H new ATOM 0 HB2 HIS A 7 11.743 -8.553 1.923 1.00 0.00 H new ATOM 0 HB3 HIS A 7 12.079 -8.998 3.584 1.00 0.00 H new ATOM 0 HD1 HIS A 7 13.698 -8.323 0.334 1.00 0.00 H new ATOM 0 HD2 HIS A 7 14.744 -10.078 3.988 1.00 0.00 H new ATOM 0 HE1 HIS A 7 16.235 -8.432 0.379 1.00 0.00 H new ATOM 117 N SER A 8 10.676 -10.805 0.074 1.00 0.00 N ATOM 118 CA SER A 8 10.640 -11.199 -1.329 1.00 0.00 C ATOM 119 C SER A 8 11.921 -10.745 -2.030 1.00 0.00 C ATOM 120 O SER A 8 12.243 -9.556 -2.054 1.00 0.00 O ATOM 121 CB SER A 8 9.397 -10.596 -1.992 1.00 0.00 C ATOM 122 OG SER A 8 9.008 -11.326 -3.144 1.00 0.00 O ATOM 0 H SER A 8 9.849 -10.297 0.386 1.00 0.00 H new ATOM 0 HA SER A 8 10.582 -12.284 -1.410 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.575 -10.581 -1.277 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.598 -9.561 -2.268 1.00 0.00 H new ATOM 0 HG SER A 8 8.212 -10.914 -3.539 1.00 0.00 H new ATOM 128 N SER A 9 12.664 -11.703 -2.570 1.00 0.00 N ATOM 129 CA SER A 9 13.987 -11.428 -3.108 1.00 0.00 C ATOM 130 C SER A 9 14.195 -12.087 -4.466 1.00 0.00 C ATOM 131 O SER A 9 15.219 -12.728 -4.702 1.00 0.00 O ATOM 132 CB SER A 9 15.053 -11.915 -2.121 1.00 0.00 C ATOM 133 OG SER A 9 14.950 -11.232 -0.884 1.00 0.00 O ATOM 0 H SER A 9 12.371 -12.677 -2.646 1.00 0.00 H new ATOM 0 HA SER A 9 14.076 -10.351 -3.249 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.941 -12.987 -1.959 1.00 0.00 H new ATOM 0 HB3 SER A 9 16.045 -11.759 -2.545 1.00 0.00 H new ATOM 0 HG SER A 9 14.146 -11.533 -0.410 1.00 0.00 H new ATOM 139 N GLN A 10 13.222 -11.943 -5.351 1.00 0.00 N ATOM 140 CA GLN A 10 13.366 -12.402 -6.728 1.00 0.00 C ATOM 141 C GLN A 10 12.660 -11.439 -7.674 1.00 0.00 C ATOM 142 O GLN A 10 11.840 -11.862 -8.489 1.00 0.00 O ATOM 143 CB GLN A 10 12.802 -13.818 -6.909 1.00 0.00 C ATOM 144 CG GLN A 10 13.599 -14.884 -6.183 1.00 0.00 C ATOM 145 CD GLN A 10 13.024 -16.273 -6.364 1.00 0.00 C ATOM 146 OE1 GLN A 10 13.401 -16.999 -7.283 1.00 0.00 O ATOM 147 NE2 GLN A 10 12.108 -16.657 -5.492 1.00 0.00 N ATOM 0 H GLN A 10 12.322 -11.512 -5.142 1.00 0.00 H new ATOM 0 HA GLN A 10 14.430 -12.430 -6.963 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.772 -13.839 -6.552 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.775 -14.057 -7.972 1.00 0.00 H new ATOM 0 HG2 GLN A 10 14.627 -14.872 -6.545 1.00 0.00 H new ATOM 0 HG3 GLN A 10 13.632 -14.645 -5.120 1.00 0.00 H new ATOM 0 HE21 GLN A 10 11.821 -16.027 -4.743 1.00 0.00 H new ATOM 0 HE22 GLN A 10 11.688 -17.584 -5.568 1.00 0.00 H new ATOM 156 N ASP A 11 12.989 -10.142 -7.551 1.00 0.00 N ATOM 157 CA ASP A 11 12.347 -9.085 -8.338 1.00 0.00 C ATOM 158 C ASP A 11 10.855 -9.005 -7.985 1.00 0.00 C ATOM 159 O ASP A 11 10.056 -9.844 -8.405 1.00 0.00 O ATOM 160 CB ASP A 11 12.553 -9.359 -9.825 1.00 0.00 C ATOM 161 CG ASP A 11 14.015 -9.303 -10.233 1.00 0.00 C ATOM 162 OD1 ASP A 11 14.726 -10.320 -10.076 1.00 0.00 O ATOM 163 OD2 ASP A 11 14.462 -8.248 -10.729 1.00 0.00 O ATOM 0 H ASP A 11 13.703 -9.802 -6.907 1.00 0.00 H new ATOM 0 HA ASP A 11 12.800 -8.122 -8.102 1.00 0.00 H new ATOM 0 HB2 ASP A 11 12.149 -10.342 -10.069 1.00 0.00 H new ATOM 0 HB3 ASP A 11 11.989 -8.629 -10.406 1.00 0.00 H new ATOM 168 N VAL A 12 10.472 -7.986 -7.222 1.00 0.00 N ATOM 169 CA VAL A 12 9.199 -8.031 -6.506 1.00 0.00 C ATOM 170 C VAL A 12 8.223 -6.932 -6.916 1.00 0.00 C ATOM 171 O VAL A 12 8.581 -5.948 -7.574 1.00 0.00 O ATOM 172 CB VAL A 12 9.422 -7.947 -4.981 1.00 0.00 C ATOM 173 CG1 VAL A 12 10.626 -8.779 -4.579 1.00 0.00 C ATOM 174 CG2 VAL A 12 9.589 -6.505 -4.519 1.00 0.00 C ATOM 0 H VAL A 12 11.013 -7.132 -7.084 1.00 0.00 H new ATOM 0 HA VAL A 12 8.752 -8.987 -6.778 1.00 0.00 H new ATOM 0 HB VAL A 12 8.536 -8.349 -4.490 1.00 0.00 H new ATOM 0 HG11 VAL A 12 10.772 -8.711 -3.501 1.00 0.00 H new ATOM 0 HG12 VAL A 12 10.459 -9.819 -4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 12 11.513 -8.405 -5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 12 9.744 -6.484 -3.440 1.00 0.00 H new ATOM 0 HG22 VAL A 12 10.450 -6.060 -5.018 1.00 0.00 H new ATOM 0 HG23 VAL A 12 8.692 -5.937 -4.768 1.00 0.00 H new ATOM 184 N HIS A 13 6.977 -7.132 -6.509 1.00 0.00 N ATOM 185 CA HIS A 13 5.915 -6.168 -6.720 1.00 0.00 C ATOM 186 C HIS A 13 5.442 -5.619 -5.375 1.00 0.00 C ATOM 187 O HIS A 13 4.928 -6.359 -4.535 1.00 0.00 O ATOM 188 CB HIS A 13 4.752 -6.832 -7.467 1.00 0.00 C ATOM 189 CG HIS A 13 3.603 -5.915 -7.769 1.00 0.00 C ATOM 190 ND1 HIS A 13 2.441 -5.891 -7.031 1.00 0.00 N ATOM 191 CD2 HIS A 13 3.433 -5.007 -8.758 1.00 0.00 C ATOM 192 CE1 HIS A 13 1.606 -5.013 -7.553 1.00 0.00 C ATOM 193 NE2 HIS A 13 2.182 -4.461 -8.605 1.00 0.00 N ATOM 0 H HIS A 13 6.676 -7.975 -6.020 1.00 0.00 H new ATOM 0 HA HIS A 13 6.290 -5.341 -7.323 1.00 0.00 H new ATOM 0 HB2 HIS A 13 5.127 -7.245 -8.403 1.00 0.00 H new ATOM 0 HB3 HIS A 13 4.386 -7.669 -6.873 1.00 0.00 H new ATOM 0 HD1 HIS A 13 2.254 -6.464 -6.208 1.00 0.00 H new ATOM 0 HD2 HIS A 13 4.150 -4.757 -9.527 1.00 0.00 H new ATOM 0 HE1 HIS A 13 0.618 -4.784 -7.182 1.00 0.00 H new ATOM 202 N VAL A 14 5.626 -4.327 -5.181 1.00 0.00 N ATOM 203 CA VAL A 14 5.203 -3.655 -3.963 1.00 0.00 C ATOM 204 C VAL A 14 3.947 -2.843 -4.257 1.00 0.00 C ATOM 205 O VAL A 14 3.735 -2.413 -5.386 1.00 0.00 O ATOM 206 CB VAL A 14 6.320 -2.730 -3.419 1.00 0.00 C ATOM 207 CG1 VAL A 14 5.912 -2.083 -2.103 1.00 0.00 C ATOM 208 CG2 VAL A 14 7.620 -3.501 -3.249 1.00 0.00 C ATOM 0 H VAL A 14 6.072 -3.712 -5.862 1.00 0.00 H new ATOM 0 HA VAL A 14 4.992 -4.405 -3.200 1.00 0.00 H new ATOM 0 HB VAL A 14 6.477 -1.936 -4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 14 6.718 -1.440 -1.748 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.012 -1.487 -2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 14 5.714 -2.858 -1.363 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.392 -2.833 -2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.468 -4.320 -2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.933 -3.903 -4.213 1.00 0.00 H new ATOM 218 N VAL A 15 3.105 -2.646 -3.265 1.00 0.00 N ATOM 219 CA VAL A 15 1.867 -1.930 -3.486 1.00 0.00 C ATOM 220 C VAL A 15 1.671 -0.828 -2.448 1.00 0.00 C ATOM 221 O VAL A 15 1.989 -0.998 -1.269 1.00 0.00 O ATOM 222 CB VAL A 15 0.670 -2.903 -3.494 1.00 0.00 C ATOM 223 CG1 VAL A 15 0.535 -3.626 -2.168 1.00 0.00 C ATOM 224 CG2 VAL A 15 -0.617 -2.181 -3.862 1.00 0.00 C ATOM 0 H VAL A 15 3.252 -2.967 -2.308 1.00 0.00 H new ATOM 0 HA VAL A 15 1.925 -1.453 -4.464 1.00 0.00 H new ATOM 0 HB VAL A 15 0.861 -3.656 -4.258 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.318 -4.303 -2.208 1.00 0.00 H new ATOM 0 HG12 VAL A 15 1.443 -4.197 -1.971 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.383 -2.898 -1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.445 -2.890 -3.860 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.813 -1.393 -3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.517 -1.742 -4.855 1.00 0.00 H new ATOM 234 N LEU A 16 1.167 0.307 -2.907 1.00 0.00 N ATOM 235 CA LEU A 16 0.914 1.448 -2.052 1.00 0.00 C ATOM 236 C LEU A 16 -0.580 1.532 -1.768 1.00 0.00 C ATOM 237 O LEU A 16 -1.379 1.724 -2.676 1.00 0.00 O ATOM 238 CB LEU A 16 1.369 2.742 -2.735 1.00 0.00 C ATOM 239 CG LEU A 16 1.910 3.832 -1.805 1.00 0.00 C ATOM 240 CD1 LEU A 16 1.741 5.206 -2.428 1.00 0.00 C ATOM 241 CD2 LEU A 16 1.243 3.805 -0.455 1.00 0.00 C ATOM 0 H LEU A 16 0.923 0.460 -3.885 1.00 0.00 H new ATOM 0 HA LEU A 16 1.471 1.326 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.142 2.494 -3.462 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.527 3.152 -3.293 1.00 0.00 H new ATOM 0 HG LEU A 16 2.971 3.627 -1.663 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.132 5.964 -1.749 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.286 5.247 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.683 5.395 -2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.658 4.595 0.172 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.171 3.962 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.417 2.838 0.017 1.00 0.00 H new ATOM 253 N LYS A 17 -0.945 1.388 -0.516 1.00 0.00 N ATOM 254 CA LYS A 17 -2.332 1.452 -0.109 1.00 0.00 C ATOM 255 C LYS A 17 -2.596 2.790 0.564 1.00 0.00 C ATOM 256 O LYS A 17 -1.873 3.182 1.473 1.00 0.00 O ATOM 257 CB LYS A 17 -2.646 0.298 0.846 1.00 0.00 C ATOM 258 CG LYS A 17 -2.243 -1.056 0.287 1.00 0.00 C ATOM 259 CD LYS A 17 -1.527 -1.904 1.326 1.00 0.00 C ATOM 260 CE LYS A 17 -0.936 -3.158 0.687 1.00 0.00 C ATOM 261 NZ LYS A 17 0.077 -3.837 1.549 1.00 0.00 N ATOM 0 H LYS A 17 -0.291 1.223 0.250 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.977 1.361 -0.983 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.129 0.464 1.791 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.714 0.293 1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.130 -1.583 -0.064 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.594 -0.914 -0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.734 -1.321 1.795 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.224 -2.186 2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.741 -3.858 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.474 -2.890 -0.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.664 -4.466 0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.681 -3.123 2.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.408 -4.396 2.280 1.00 0.00 H new ATOM 275 N LEU A 18 -3.636 3.475 0.130 1.00 0.00 N ATOM 276 CA LEU A 18 -3.952 4.796 0.647 1.00 0.00 C ATOM 277 C LEU A 18 -5.063 4.689 1.673 1.00 0.00 C ATOM 278 O LEU A 18 -5.987 3.899 1.506 1.00 0.00 O ATOM 279 CB LEU A 18 -4.402 5.693 -0.503 1.00 0.00 C ATOM 280 CG LEU A 18 -3.312 6.089 -1.497 1.00 0.00 C ATOM 281 CD1 LEU A 18 -3.931 6.641 -2.770 1.00 0.00 C ATOM 282 CD2 LEU A 18 -2.385 7.120 -0.881 1.00 0.00 C ATOM 0 H LEU A 18 -4.281 3.137 -0.584 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.068 5.224 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.197 5.184 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.834 6.602 -0.084 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.733 5.200 -1.746 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.141 6.919 -3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.567 5.881 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.530 7.520 -2.532 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.614 7.392 -1.601 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.957 8.007 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.918 6.702 0.011 1.00 0.00 H new ATOM 294 N TRP A 19 -4.960 5.456 2.744 1.00 0.00 N ATOM 295 CA TRP A 19 -5.951 5.422 3.802 1.00 0.00 C ATOM 296 C TRP A 19 -6.341 6.836 4.201 1.00 0.00 C ATOM 297 O TRP A 19 -5.907 7.809 3.585 1.00 0.00 O ATOM 298 CB TRP A 19 -5.417 4.695 5.035 1.00 0.00 C ATOM 299 CG TRP A 19 -4.605 3.478 4.740 1.00 0.00 C ATOM 300 CD1 TRP A 19 -3.250 3.409 4.741 1.00 0.00 C ATOM 301 CD2 TRP A 19 -5.074 2.168 4.396 1.00 0.00 C ATOM 302 NE1 TRP A 19 -2.844 2.135 4.488 1.00 0.00 N ATOM 303 CE2 TRP A 19 -3.939 1.353 4.260 1.00 0.00 C ATOM 304 CE3 TRP A 19 -6.337 1.594 4.209 1.00 0.00 C ATOM 305 CZ2 TRP A 19 -4.021 0.005 3.948 1.00 0.00 C ATOM 306 CZ3 TRP A 19 -6.414 0.249 3.886 1.00 0.00 C ATOM 307 CH2 TRP A 19 -5.259 -0.533 3.767 1.00 0.00 C ATOM 0 H TRP A 19 -4.196 6.113 2.903 1.00 0.00 H new ATOM 0 HA TRP A 19 -6.821 4.887 3.421 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -4.808 5.390 5.614 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -6.260 4.409 5.664 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -2.589 4.245 4.917 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -1.875 1.815 4.471 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -7.233 2.188 4.314 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.131 -0.600 3.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -7.381 -0.204 3.723 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -5.351 -1.582 3.527 1.00 0.00 H new ATOM 318 N LYS A 20 -7.148 6.949 5.242 1.00 0.00 N ATOM 319 CA LYS A 20 -7.611 8.246 5.703 1.00 0.00 C ATOM 320 C LYS A 20 -6.537 8.979 6.511 1.00 0.00 C ATOM 321 O LYS A 20 -6.527 10.206 6.567 1.00 0.00 O ATOM 322 CB LYS A 20 -8.911 8.084 6.503 1.00 0.00 C ATOM 323 CG LYS A 20 -8.877 6.997 7.572 1.00 0.00 C ATOM 324 CD LYS A 20 -8.252 7.485 8.870 1.00 0.00 C ATOM 325 CE LYS A 20 -8.414 6.458 9.980 1.00 0.00 C ATOM 326 NZ LYS A 20 -8.052 7.016 11.309 1.00 0.00 N ATOM 0 H LYS A 20 -7.496 6.158 5.784 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.818 8.866 4.831 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.147 9.035 6.980 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.722 7.865 5.809 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.892 6.651 7.767 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -8.314 6.141 7.199 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.193 7.689 8.712 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.717 8.424 9.170 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.446 6.107 10.002 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.788 5.592 9.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.078 6.259 12.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.094 7.420 11.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.730 7.760 11.569 1.00 0.00 H new ATOM 340 N SER A 21 -5.629 8.230 7.120 1.00 0.00 N ATOM 341 CA SER A 21 -4.546 8.834 7.889 1.00 0.00 C ATOM 342 C SER A 21 -3.295 8.979 7.030 1.00 0.00 C ATOM 343 O SER A 21 -2.639 10.019 7.028 1.00 0.00 O ATOM 344 CB SER A 21 -4.226 7.988 9.124 1.00 0.00 C ATOM 345 OG SER A 21 -5.389 7.736 9.894 1.00 0.00 O ATOM 0 H SER A 21 -5.618 7.210 7.098 1.00 0.00 H new ATOM 0 HA SER A 21 -4.872 9.823 8.211 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.781 7.042 8.814 1.00 0.00 H new ATOM 0 HB3 SER A 21 -3.486 8.502 9.737 1.00 0.00 H new ATOM 0 HG SER A 21 -5.153 7.192 10.675 1.00 0.00 H new ATOM 351 N GLY A 22 -2.979 7.930 6.292 1.00 0.00 N ATOM 352 CA GLY A 22 -1.780 7.924 5.494 1.00 0.00 C ATOM 353 C GLY A 22 -1.781 6.807 4.491 1.00 0.00 C ATOM 354 O GLY A 22 -2.820 6.466 3.941 1.00 0.00 O ATOM 0 H GLY A 22 -3.537 7.078 6.233 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.684 8.878 4.975 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.911 7.827 6.145 1.00 0.00 H new ATOM 358 N PHE A 23 -0.622 6.223 4.272 1.00 0.00 N ATOM 359 CA PHE A 23 -0.469 5.188 3.268 1.00 0.00 C ATOM 360 C PHE A 23 0.348 4.019 3.813 1.00 0.00 C ATOM 361 O PHE A 23 1.235 4.199 4.643 1.00 0.00 O ATOM 362 CB PHE A 23 0.210 5.766 2.022 1.00 0.00 C ATOM 363 CG PHE A 23 1.588 6.282 2.301 1.00 0.00 C ATOM 364 CD1 PHE A 23 1.759 7.504 2.925 1.00 0.00 C ATOM 365 CD2 PHE A 23 2.708 5.533 1.976 1.00 0.00 C ATOM 366 CE1 PHE A 23 3.014 7.972 3.225 1.00 0.00 C ATOM 367 CE2 PHE A 23 3.965 6.002 2.269 1.00 0.00 C ATOM 368 CZ PHE A 23 4.119 7.222 2.899 1.00 0.00 C ATOM 0 H PHE A 23 0.234 6.448 4.779 1.00 0.00 H new ATOM 0 HA PHE A 23 -1.459 4.819 3.000 1.00 0.00 H new ATOM 0 HB2 PHE A 23 0.264 4.996 1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.402 6.574 1.622 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.894 8.098 3.180 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.592 4.576 1.490 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.133 8.927 3.716 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.834 5.417 2.007 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.108 7.587 3.135 1.00 0.00 H new ATOM 378 N SER A 24 0.027 2.828 3.348 1.00 0.00 N ATOM 379 CA SER A 24 0.764 1.623 3.701 1.00 0.00 C ATOM 380 C SER A 24 1.364 1.023 2.453 1.00 0.00 C ATOM 381 O SER A 24 0.802 1.121 1.372 1.00 0.00 O ATOM 382 CB SER A 24 -0.181 0.607 4.354 1.00 0.00 C ATOM 383 OG SER A 24 0.473 -0.604 4.696 1.00 0.00 O ATOM 0 H SER A 24 -0.754 2.664 2.713 1.00 0.00 H new ATOM 0 HA SER A 24 1.557 1.877 4.405 1.00 0.00 H new ATOM 0 HB2 SER A 24 -0.617 1.046 5.251 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.004 0.391 3.673 1.00 0.00 H new ATOM 0 HG SER A 24 1.388 -0.410 4.987 1.00 0.00 H new ATOM 389 N LEU A 25 2.499 0.398 2.608 1.00 0.00 N ATOM 390 CA LEU A 25 3.145 -0.255 1.501 1.00 0.00 C ATOM 391 C LEU A 25 2.917 -1.748 1.646 1.00 0.00 C ATOM 392 O LEU A 25 2.097 -2.171 2.461 1.00 0.00 O ATOM 393 CB LEU A 25 4.647 0.061 1.484 1.00 0.00 C ATOM 394 CG LEU A 25 5.043 1.547 1.433 1.00 0.00 C ATOM 395 CD1 LEU A 25 4.328 2.259 0.303 1.00 0.00 C ATOM 396 CD2 LEU A 25 4.786 2.240 2.766 1.00 0.00 C ATOM 0 H LEU A 25 2.998 0.327 3.495 1.00 0.00 H new ATOM 0 HA LEU A 25 2.727 0.102 0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.097 -0.380 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.089 -0.438 0.622 1.00 0.00 H new ATOM 0 HG LEU A 25 6.115 1.596 1.240 1.00 0.00 H new ATOM 0 HD11 LEU A 25 4.625 3.308 0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 25 4.593 1.793 -0.646 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.251 2.189 0.453 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.077 3.288 2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.726 2.174 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 25 5.371 1.754 3.547 1.00 0.00 H new ATOM 408 N ASP A 26 3.601 -2.557 0.868 1.00 0.00 N ATOM 409 CA ASP A 26 3.539 -3.987 1.097 1.00 0.00 C ATOM 410 C ASP A 26 4.670 -4.392 2.035 1.00 0.00 C ATOM 411 O ASP A 26 4.769 -5.536 2.476 1.00 0.00 O ATOM 412 CB ASP A 26 3.600 -4.765 -0.210 1.00 0.00 C ATOM 413 CG ASP A 26 2.712 -5.987 -0.143 1.00 0.00 C ATOM 414 OD1 ASP A 26 1.524 -5.831 0.233 1.00 0.00 O ATOM 415 OD2 ASP A 26 3.188 -7.096 -0.465 1.00 0.00 O ATOM 0 H ASP A 26 4.192 -2.262 0.091 1.00 0.00 H new ATOM 0 HA ASP A 26 2.583 -4.230 1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 26 3.286 -4.126 -1.035 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.628 -5.066 -0.413 1.00 0.00 H new ATOM 420 N ASN A 27 5.507 -3.407 2.338 1.00 0.00 N ATOM 421 CA ASN A 27 6.630 -3.564 3.256 1.00 0.00 C ATOM 422 C ASN A 27 6.315 -2.961 4.623 1.00 0.00 C ATOM 423 O ASN A 27 6.729 -3.485 5.657 1.00 0.00 O ATOM 424 CB ASN A 27 7.874 -2.877 2.674 1.00 0.00 C ATOM 425 CG ASN A 27 7.545 -1.515 2.079 1.00 0.00 C ATOM 426 OD1 ASN A 27 7.253 -1.410 0.890 1.00 0.00 O ATOM 427 ND2 ASN A 27 7.565 -0.467 2.899 1.00 0.00 N ATOM 0 H ASN A 27 5.425 -2.467 1.950 1.00 0.00 H new ATOM 0 HA ASN A 27 6.816 -4.630 3.383 1.00 0.00 H new ATOM 0 HB2 ASN A 27 8.623 -2.760 3.457 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.313 -3.512 1.905 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.333 0.461 2.546 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.812 -0.592 3.881 1.00 0.00 H new ATOM 434 N GLY A 28 5.582 -1.856 4.619 1.00 0.00 N ATOM 435 CA GLY A 28 5.318 -1.133 5.846 1.00 0.00 C ATOM 436 C GLY A 28 3.847 -0.883 6.053 1.00 0.00 C ATOM 437 O GLY A 28 3.060 -0.961 5.110 1.00 0.00 O ATOM 0 H GLY A 28 5.164 -1.446 3.784 1.00 0.00 H new ATOM 0 HA2 GLY A 28 5.711 -1.698 6.691 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.848 -0.180 5.826 1.00 0.00 H new ATOM 441 N GLU A 29 3.486 -0.560 7.280 1.00 0.00 N ATOM 442 CA GLU A 29 2.093 -0.381 7.660 1.00 0.00 C ATOM 443 C GLU A 29 1.576 0.997 7.263 1.00 0.00 C ATOM 444 O GLU A 29 2.253 1.743 6.553 1.00 0.00 O ATOM 445 CB GLU A 29 1.935 -0.570 9.167 1.00 0.00 C ATOM 446 CG GLU A 29 2.250 -1.974 9.642 1.00 0.00 C ATOM 447 CD GLU A 29 2.141 -2.101 11.142 1.00 0.00 C ATOM 448 OE1 GLU A 29 1.094 -1.712 11.700 1.00 0.00 O ATOM 449 OE2 GLU A 29 3.111 -2.569 11.774 1.00 0.00 O ATOM 0 H GLU A 29 4.147 -0.414 8.043 1.00 0.00 H new ATOM 0 HA GLU A 29 1.506 -1.131 7.129 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.589 0.134 9.683 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.912 -0.321 9.450 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.567 -2.679 9.168 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.258 -2.246 9.327 1.00 0.00 H new ATOM 456 N LEU A 30 0.366 1.310 7.718 1.00 0.00 N ATOM 457 CA LEU A 30 -0.253 2.604 7.471 1.00 0.00 C ATOM 458 C LEU A 30 0.590 3.690 8.122 1.00 0.00 C ATOM 459 O LEU A 30 0.743 3.742 9.344 1.00 0.00 O ATOM 460 CB LEU A 30 -1.703 2.589 8.010 1.00 0.00 C ATOM 461 CG LEU A 30 -2.634 3.792 7.695 1.00 0.00 C ATOM 462 CD1 LEU A 30 -3.888 3.759 8.554 1.00 0.00 C ATOM 463 CD2 LEU A 30 -1.956 5.132 7.852 1.00 0.00 C ATOM 0 H LEU A 30 -0.211 0.673 8.268 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.301 2.813 6.402 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.187 1.690 7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.650 2.488 9.094 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.903 3.682 6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.519 4.614 8.310 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.436 2.837 8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.609 3.803 9.607 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.663 5.927 7.617 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.610 5.246 8.879 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -1.105 5.191 7.174 1.00 0.00 H new ATOM 475 N ARG A 31 1.146 4.533 7.283 1.00 0.00 N ATOM 476 CA ARG A 31 1.946 5.647 7.722 1.00 0.00 C ATOM 477 C ARG A 31 1.260 6.956 7.345 1.00 0.00 C ATOM 478 O ARG A 31 1.141 7.276 6.163 1.00 0.00 O ATOM 479 CB ARG A 31 3.321 5.564 7.076 1.00 0.00 C ATOM 480 CG ARG A 31 4.111 4.325 7.455 1.00 0.00 C ATOM 481 CD ARG A 31 5.488 4.336 6.809 1.00 0.00 C ATOM 482 NE ARG A 31 6.331 3.220 7.256 1.00 0.00 N ATOM 483 CZ ARG A 31 7.667 3.246 7.236 1.00 0.00 C ATOM 484 NH1 ARG A 31 8.303 4.376 6.955 1.00 0.00 N ATOM 485 NH2 ARG A 31 8.366 2.159 7.539 1.00 0.00 N ATOM 0 H ARG A 31 1.054 4.462 6.270 1.00 0.00 H new ATOM 0 HA ARG A 31 2.059 5.614 8.806 1.00 0.00 H new ATOM 0 HB2 ARG A 31 3.204 5.589 5.993 1.00 0.00 H new ATOM 0 HB3 ARG A 31 3.895 6.447 7.355 1.00 0.00 H new ATOM 0 HG2 ARG A 31 4.215 4.273 8.539 1.00 0.00 H new ATOM 0 HG3 ARG A 31 3.567 3.433 7.144 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.377 4.291 5.726 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.986 5.278 7.040 1.00 0.00 H new ATOM 0 HE ARG A 31 5.871 2.378 7.601 1.00 0.00 H new ATOM 0 HH11 ARG A 31 7.772 5.224 6.755 1.00 0.00 H new ATOM 0 HH12 ARG A 31 9.323 4.397 6.939 1.00 0.00 H new ATOM 0 HH21 ARG A 31 7.884 1.296 7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.385 2.187 7.521 1.00 0.00 H new ATOM 499 N SER A 32 0.793 7.687 8.353 1.00 0.00 N ATOM 500 CA SER A 32 0.093 8.957 8.151 1.00 0.00 C ATOM 501 C SER A 32 0.928 9.933 7.320 1.00 0.00 C ATOM 502 O SER A 32 2.139 10.051 7.506 1.00 0.00 O ATOM 503 CB SER A 32 -0.263 9.577 9.507 1.00 0.00 C ATOM 504 OG SER A 32 -0.743 10.904 9.361 1.00 0.00 O ATOM 0 H SER A 32 0.888 7.418 9.332 1.00 0.00 H new ATOM 0 HA SER A 32 -0.823 8.754 7.596 1.00 0.00 H new ATOM 0 HB2 SER A 32 -1.020 8.967 10.000 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.616 9.576 10.151 1.00 0.00 H new ATOM 0 HG SER A 32 -1.418 10.932 8.651 1.00 0.00 H new ATOM 510 N TYR A 33 0.251 10.646 6.416 1.00 0.00 N ATOM 511 CA TYR A 33 0.912 11.510 5.434 1.00 0.00 C ATOM 512 C TYR A 33 1.715 12.630 6.099 1.00 0.00 C ATOM 513 O TYR A 33 2.580 13.240 5.469 1.00 0.00 O ATOM 514 CB TYR A 33 -0.120 12.144 4.491 1.00 0.00 C ATOM 515 CG TYR A 33 -1.016 11.166 3.756 1.00 0.00 C ATOM 516 CD1 TYR A 33 -0.499 10.260 2.834 1.00 0.00 C ATOM 517 CD2 TYR A 33 -2.388 11.163 3.974 1.00 0.00 C ATOM 518 CE1 TYR A 33 -1.325 9.381 2.155 1.00 0.00 C ATOM 519 CE2 TYR A 33 -3.219 10.292 3.298 1.00 0.00 C ATOM 520 CZ TYR A 33 -2.684 9.404 2.392 1.00 0.00 C ATOM 521 OH TYR A 33 -3.513 8.537 1.719 1.00 0.00 O ATOM 0 H TYR A 33 -0.766 10.641 6.344 1.00 0.00 H new ATOM 0 HA TYR A 33 1.597 10.874 4.873 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.748 12.822 5.070 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.409 12.750 3.755 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.564 10.243 2.645 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -2.813 11.855 4.686 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.909 8.682 1.445 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -4.284 10.307 3.479 1.00 0.00 H new ATOM 0 HH TYR A 33 -4.281 8.313 2.285 1.00 0.00 H new ATOM 531 N GLN A 34 1.423 12.898 7.364 1.00 0.00 N ATOM 532 CA GLN A 34 2.024 14.025 8.071 1.00 0.00 C ATOM 533 C GLN A 34 3.440 13.713 8.548 1.00 0.00 C ATOM 534 O GLN A 34 4.292 14.600 8.601 1.00 0.00 O ATOM 535 CB GLN A 34 1.152 14.411 9.260 1.00 0.00 C ATOM 536 CG GLN A 34 -0.269 14.778 8.867 1.00 0.00 C ATOM 537 CD GLN A 34 -1.131 15.169 10.052 1.00 0.00 C ATOM 538 OE1 GLN A 34 -0.844 14.603 11.215 1.00 0.00 O flip ATOM 539 NE2 GLN A 34 -2.051 15.976 9.921 1.00 0.00 N flip ATOM 0 H GLN A 34 0.771 12.349 7.925 1.00 0.00 H new ATOM 0 HA GLN A 34 2.089 14.858 7.371 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.124 13.581 9.966 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.608 15.255 9.778 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -0.241 15.604 8.157 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -0.728 13.933 8.355 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.240 16.390 9.008 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.624 16.231 10.725 1.00 0.00 H new ATOM 548 N ASP A 35 3.685 12.455 8.883 1.00 0.00 N ATOM 549 CA ASP A 35 4.975 12.040 9.442 1.00 0.00 C ATOM 550 C ASP A 35 6.113 12.243 8.439 1.00 0.00 C ATOM 551 O ASP A 35 6.017 11.843 7.278 1.00 0.00 O ATOM 552 CB ASP A 35 4.918 10.576 9.868 1.00 0.00 C ATOM 553 CG ASP A 35 6.185 10.113 10.560 1.00 0.00 C ATOM 554 OD1 ASP A 35 7.145 9.719 9.863 1.00 0.00 O ATOM 555 OD2 ASP A 35 6.221 10.134 11.808 1.00 0.00 O ATOM 0 H ASP A 35 3.009 11.698 8.779 1.00 0.00 H new ATOM 0 HA ASP A 35 5.175 12.665 10.312 1.00 0.00 H new ATOM 0 HB2 ASP A 35 4.070 10.430 10.538 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.741 9.954 8.990 1.00 0.00 H new ATOM 560 N PRO A 36 7.214 12.864 8.901 1.00 0.00 N ATOM 561 CA PRO A 36 8.361 13.239 8.056 1.00 0.00 C ATOM 562 C PRO A 36 9.009 12.069 7.313 1.00 0.00 C ATOM 563 O PRO A 36 9.598 12.267 6.247 1.00 0.00 O ATOM 564 CB PRO A 36 9.360 13.843 9.048 1.00 0.00 C ATOM 565 CG PRO A 36 8.532 14.279 10.202 1.00 0.00 C ATOM 566 CD PRO A 36 7.419 13.277 10.301 1.00 0.00 C ATOM 0 HA PRO A 36 8.040 13.914 7.262 1.00 0.00 H new ATOM 0 HB2 PRO A 36 10.108 13.110 9.352 1.00 0.00 H new ATOM 0 HB3 PRO A 36 9.897 14.683 8.607 1.00 0.00 H new ATOM 0 HG2 PRO A 36 9.120 14.304 11.119 1.00 0.00 H new ATOM 0 HG3 PRO A 36 8.141 15.285 10.047 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.692 12.433 10.934 1.00 0.00 H new ATOM 0 HD3 PRO A 36 6.518 13.717 10.727 1.00 0.00 H new ATOM 574 N SER A 37 8.904 10.858 7.854 1.00 0.00 N ATOM 575 CA SER A 37 9.522 9.703 7.223 1.00 0.00 C ATOM 576 C SER A 37 8.643 9.233 6.082 1.00 0.00 C ATOM 577 O SER A 37 9.104 8.653 5.098 1.00 0.00 O ATOM 578 CB SER A 37 9.705 8.578 8.241 1.00 0.00 C ATOM 579 OG SER A 37 10.409 7.484 7.682 1.00 0.00 O ATOM 0 H SER A 37 8.402 10.655 8.718 1.00 0.00 H new ATOM 0 HA SER A 37 10.503 9.982 6.839 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.246 8.955 9.109 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.730 8.243 8.594 1.00 0.00 H new ATOM 0 HG SER A 37 10.512 6.781 8.358 1.00 0.00 H new ATOM 585 N ASN A 38 7.367 9.516 6.225 1.00 0.00 N ATOM 586 CA ASN A 38 6.382 9.132 5.238 1.00 0.00 C ATOM 587 C ASN A 38 6.373 10.132 4.096 1.00 0.00 C ATOM 588 O ASN A 38 6.009 9.802 2.965 1.00 0.00 O ATOM 589 CB ASN A 38 5.011 9.029 5.894 1.00 0.00 C ATOM 590 CG ASN A 38 5.061 8.173 7.142 1.00 0.00 C ATOM 591 OD1 ASN A 38 5.926 7.308 7.288 1.00 0.00 O ATOM 592 ND2 ASN A 38 4.123 8.386 8.044 1.00 0.00 N ATOM 0 H ASN A 38 6.984 10.017 7.026 1.00 0.00 H new ATOM 0 HA ASN A 38 6.638 8.156 4.827 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.651 10.026 6.149 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.298 8.604 5.187 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.098 7.826 8.896 1.00 0.00 H new ATOM 0 HD22 ASN A 38 3.422 9.111 7.890 1.00 0.00 H new ATOM 599 N ALA A 39 6.794 11.355 4.400 1.00 0.00 N ATOM 600 CA ALA A 39 6.999 12.372 3.379 1.00 0.00 C ATOM 601 C ALA A 39 8.063 11.916 2.387 1.00 0.00 C ATOM 602 O ALA A 39 8.023 12.273 1.212 1.00 0.00 O ATOM 603 CB ALA A 39 7.397 13.695 4.016 1.00 0.00 C ATOM 0 H ALA A 39 7.000 11.665 5.350 1.00 0.00 H new ATOM 0 HA ALA A 39 6.062 12.519 2.842 1.00 0.00 H new ATOM 0 HB1 ALA A 39 7.546 14.443 3.238 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.608 14.026 4.691 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.323 13.565 4.576 1.00 0.00 H new ATOM 609 N GLN A 40 9.008 11.112 2.880 1.00 0.00 N ATOM 610 CA GLN A 40 10.042 10.514 2.040 1.00 0.00 C ATOM 611 C GLN A 40 9.399 9.715 0.912 1.00 0.00 C ATOM 612 O GLN A 40 9.730 9.897 -0.264 1.00 0.00 O ATOM 613 CB GLN A 40 10.959 9.628 2.905 1.00 0.00 C ATOM 614 CG GLN A 40 11.963 8.771 2.129 1.00 0.00 C ATOM 615 CD GLN A 40 11.425 7.418 1.666 1.00 0.00 C ATOM 616 OE1 GLN A 40 11.797 6.935 0.598 1.00 0.00 O ATOM 617 NE2 GLN A 40 10.602 6.764 2.480 1.00 0.00 N ATOM 0 H GLN A 40 9.076 10.860 3.866 1.00 0.00 H new ATOM 0 HA GLN A 40 10.650 11.298 1.589 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.509 10.268 3.595 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.335 8.970 3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 40 12.299 9.331 1.256 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.838 8.603 2.757 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.310 7.190 3.360 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.262 5.837 2.225 1.00 0.00 H new ATOM 626 N PHE A 41 8.462 8.847 1.280 1.00 0.00 N ATOM 627 CA PHE A 41 7.722 8.066 0.302 1.00 0.00 C ATOM 628 C PHE A 41 6.957 8.990 -0.627 1.00 0.00 C ATOM 629 O PHE A 41 7.175 8.989 -1.831 1.00 0.00 O ATOM 630 CB PHE A 41 6.710 7.148 0.972 1.00 0.00 C ATOM 631 CG PHE A 41 7.274 6.052 1.829 1.00 0.00 C ATOM 632 CD1 PHE A 41 7.755 4.889 1.261 1.00 0.00 C ATOM 633 CD2 PHE A 41 7.265 6.163 3.210 1.00 0.00 C ATOM 634 CE1 PHE A 41 8.223 3.864 2.050 1.00 0.00 C ATOM 635 CE2 PHE A 41 7.739 5.144 4.001 1.00 0.00 C ATOM 636 CZ PHE A 41 8.213 3.991 3.422 1.00 0.00 C ATOM 0 H PHE A 41 8.199 8.669 2.249 1.00 0.00 H new ATOM 0 HA PHE A 41 8.449 7.469 -0.249 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.049 7.758 1.587 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.094 6.693 0.196 1.00 0.00 H new ATOM 0 HD1 PHE A 41 7.764 4.783 0.186 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.881 7.061 3.670 1.00 0.00 H new ATOM 0 HE1 PHE A 41 8.598 2.960 1.594 1.00 0.00 H new ATOM 0 HE2 PHE A 41 7.739 5.249 5.076 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.577 3.185 4.042 1.00 0.00 H new ATOM 646 N LEU A 42 6.064 9.783 -0.035 1.00 0.00 N ATOM 647 CA LEU A 42 5.171 10.661 -0.784 1.00 0.00 C ATOM 648 C LEU A 42 5.925 11.477 -1.824 1.00 0.00 C ATOM 649 O LEU A 42 5.484 11.590 -2.970 1.00 0.00 O ATOM 650 CB LEU A 42 4.423 11.593 0.171 1.00 0.00 C ATOM 651 CG LEU A 42 3.393 10.912 1.071 1.00 0.00 C ATOM 652 CD1 LEU A 42 2.768 11.920 2.023 1.00 0.00 C ATOM 653 CD2 LEU A 42 2.321 10.233 0.230 1.00 0.00 C ATOM 0 H LEU A 42 5.941 9.833 0.976 1.00 0.00 H new ATOM 0 HA LEU A 42 4.454 10.031 -1.310 1.00 0.00 H new ATOM 0 HB2 LEU A 42 5.152 12.103 0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.918 12.360 -0.416 1.00 0.00 H new ATOM 0 HG LEU A 42 3.900 10.150 1.664 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.037 11.418 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 42 3.545 12.362 2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.273 12.704 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 42 1.595 9.752 0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.817 10.977 -0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.783 9.483 -0.412 1.00 0.00 H new ATOM 665 N GLU A 43 7.064 12.023 -1.424 1.00 0.00 N ATOM 666 CA GLU A 43 7.895 12.795 -2.331 1.00 0.00 C ATOM 667 C GLU A 43 8.387 11.924 -3.478 1.00 0.00 C ATOM 668 O GLU A 43 8.056 12.170 -4.631 1.00 0.00 O ATOM 669 CB GLU A 43 9.087 13.406 -1.597 1.00 0.00 C ATOM 670 CG GLU A 43 10.015 14.186 -2.514 1.00 0.00 C ATOM 671 CD GLU A 43 11.191 14.788 -1.782 1.00 0.00 C ATOM 672 OE1 GLU A 43 12.113 14.037 -1.408 1.00 0.00 O ATOM 673 OE2 GLU A 43 11.197 16.020 -1.575 1.00 0.00 O ATOM 0 H GLU A 43 7.433 11.945 -0.476 1.00 0.00 H new ATOM 0 HA GLU A 43 7.285 13.603 -2.734 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.722 14.067 -0.811 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.652 12.612 -1.109 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.381 13.525 -3.300 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.452 14.981 -3.003 1.00 0.00 H new ATOM 680 N SER A 44 9.153 10.890 -3.161 1.00 0.00 N ATOM 681 CA SER A 44 9.724 10.033 -4.186 1.00 0.00 C ATOM 682 C SER A 44 8.635 9.414 -5.069 1.00 0.00 C ATOM 683 O SER A 44 8.790 9.325 -6.284 1.00 0.00 O ATOM 684 CB SER A 44 10.578 8.953 -3.530 1.00 0.00 C ATOM 685 OG SER A 44 11.707 9.529 -2.893 1.00 0.00 O ATOM 0 H SER A 44 9.392 10.626 -2.205 1.00 0.00 H new ATOM 0 HA SER A 44 10.355 10.639 -4.836 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.983 8.404 -2.801 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.905 8.234 -4.281 1.00 0.00 H new ATOM 0 HG SER A 44 12.243 8.823 -2.476 1.00 0.00 H new ATOM 691 N ILE A 45 7.523 9.033 -4.456 1.00 0.00 N ATOM 692 CA ILE A 45 6.421 8.396 -5.174 1.00 0.00 C ATOM 693 C ILE A 45 5.742 9.376 -6.144 1.00 0.00 C ATOM 694 O ILE A 45 5.256 8.974 -7.200 1.00 0.00 O ATOM 695 CB ILE A 45 5.387 7.802 -4.181 1.00 0.00 C ATOM 696 CG1 ILE A 45 6.034 6.663 -3.372 1.00 0.00 C ATOM 697 CG2 ILE A 45 4.153 7.295 -4.913 1.00 0.00 C ATOM 698 CD1 ILE A 45 5.168 6.104 -2.253 1.00 0.00 C ATOM 0 H ILE A 45 7.357 9.154 -3.457 1.00 0.00 H new ATOM 0 HA ILE A 45 6.839 7.581 -5.764 1.00 0.00 H new ATOM 0 HB ILE A 45 5.072 8.592 -3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.290 5.852 -4.054 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.968 7.026 -2.943 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.446 6.884 -4.193 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.685 8.119 -5.451 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.443 6.518 -5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.706 5.307 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.932 6.898 -1.544 1.00 0.00 H new ATOM 0 HD13 ILE A 45 4.244 5.706 -2.672 1.00 0.00 H new ATOM 710 N ARG A 46 5.717 10.662 -5.796 1.00 0.00 N ATOM 711 CA ARG A 46 5.129 11.671 -6.685 1.00 0.00 C ATOM 712 C ARG A 46 6.145 12.165 -7.721 1.00 0.00 C ATOM 713 O ARG A 46 5.771 12.576 -8.818 1.00 0.00 O ATOM 714 CB ARG A 46 4.571 12.862 -5.891 1.00 0.00 C ATOM 715 CG ARG A 46 5.637 13.736 -5.251 1.00 0.00 C ATOM 716 CD ARG A 46 5.034 14.865 -4.433 1.00 0.00 C ATOM 717 NE ARG A 46 4.326 15.837 -5.262 1.00 0.00 N ATOM 718 CZ ARG A 46 3.993 17.060 -4.848 1.00 0.00 C ATOM 719 NH1 ARG A 46 4.345 17.479 -3.637 1.00 0.00 N ATOM 720 NH2 ARG A 46 3.310 17.866 -5.648 1.00 0.00 N ATOM 0 H ARG A 46 6.090 11.029 -4.920 1.00 0.00 H new ATOM 0 HA ARG A 46 4.305 11.188 -7.211 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.964 13.476 -6.557 1.00 0.00 H new ATOM 0 HB3 ARG A 46 3.908 12.486 -5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.271 13.123 -4.610 1.00 0.00 H new ATOM 0 HG3 ARG A 46 6.277 14.154 -6.028 1.00 0.00 H new ATOM 0 HD2 ARG A 46 4.346 14.449 -3.697 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.825 15.371 -3.879 1.00 0.00 H new ATOM 0 HE ARG A 46 4.072 15.565 -6.212 1.00 0.00 H new ATOM 0 HH11 ARG A 46 4.873 16.864 -3.018 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.087 18.416 -3.326 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.039 17.551 -6.580 1.00 0.00 H new ATOM 0 HH22 ARG A 46 3.055 18.802 -5.332 1.00 0.00 H new ATOM 734 N ARG A 47 7.428 12.137 -7.368 1.00 0.00 N ATOM 735 CA ARG A 47 8.479 12.585 -8.279 1.00 0.00 C ATOM 736 C ARG A 47 8.757 11.544 -9.356 1.00 0.00 C ATOM 737 O ARG A 47 9.191 11.881 -10.459 1.00 0.00 O ATOM 738 CB ARG A 47 9.773 12.885 -7.522 1.00 0.00 C ATOM 739 CG ARG A 47 9.615 13.884 -6.387 1.00 0.00 C ATOM 740 CD ARG A 47 8.931 15.161 -6.844 1.00 0.00 C ATOM 741 NE ARG A 47 9.740 15.907 -7.804 1.00 0.00 N ATOM 742 CZ ARG A 47 9.905 17.227 -7.772 1.00 0.00 C ATOM 743 NH1 ARG A 47 9.342 17.950 -6.809 1.00 0.00 N ATOM 744 NH2 ARG A 47 10.645 17.821 -8.697 1.00 0.00 N ATOM 0 H ARG A 47 7.764 11.810 -6.462 1.00 0.00 H new ATOM 0 HA ARG A 47 8.122 13.499 -8.753 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.169 11.953 -7.118 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.512 13.266 -8.226 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.036 13.430 -5.583 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.596 14.125 -5.977 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.970 14.915 -7.295 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.725 15.791 -5.978 1.00 0.00 H new ATOM 0 HE ARG A 47 10.207 15.384 -8.545 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.781 17.493 -6.090 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.471 18.962 -6.789 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.086 17.267 -9.431 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.773 18.833 -8.675 1.00 0.00 H new ATOM 758 N GLY A 48 8.501 10.283 -9.035 1.00 0.00 N ATOM 759 CA GLY A 48 8.787 9.207 -9.964 1.00 0.00 C ATOM 760 C GLY A 48 10.004 8.411 -9.541 1.00 0.00 C ATOM 761 O GLY A 48 10.550 7.624 -10.317 1.00 0.00 O ATOM 0 H GLY A 48 8.099 9.985 -8.146 1.00 0.00 H new ATOM 0 HA2 GLY A 48 7.924 8.545 -10.031 1.00 0.00 H new ATOM 0 HA3 GLY A 48 8.950 9.619 -10.960 1.00 0.00 H new ATOM 765 N GLU A 49 10.421 8.612 -8.301 1.00 0.00 N ATOM 766 CA GLU A 49 11.588 7.938 -7.755 1.00 0.00 C ATOM 767 C GLU A 49 11.172 6.655 -7.046 1.00 0.00 C ATOM 768 O GLU A 49 10.003 6.263 -7.083 1.00 0.00 O ATOM 769 CB GLU A 49 12.310 8.857 -6.774 1.00 0.00 C ATOM 770 CG GLU A 49 12.736 10.181 -7.379 1.00 0.00 C ATOM 771 CD GLU A 49 13.476 11.057 -6.392 1.00 0.00 C ATOM 772 OE1 GLU A 49 12.816 11.781 -5.616 1.00 0.00 O ATOM 773 OE2 GLU A 49 14.723 11.022 -6.390 1.00 0.00 O ATOM 0 H GLU A 49 9.961 9.245 -7.646 1.00 0.00 H new ATOM 0 HA GLU A 49 12.262 7.688 -8.574 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.657 9.050 -5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 49 13.191 8.343 -6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.374 9.994 -8.243 1.00 0.00 H new ATOM 0 HG3 GLU A 49 11.855 10.711 -7.742 1.00 0.00 H new ATOM 780 N VAL A 50 12.129 6.004 -6.403 1.00 0.00 N ATOM 781 CA VAL A 50 11.855 4.775 -5.677 1.00 0.00 C ATOM 782 C VAL A 50 12.257 4.917 -4.214 1.00 0.00 C ATOM 783 O VAL A 50 13.445 5.016 -3.901 1.00 0.00 O ATOM 784 CB VAL A 50 12.597 3.566 -6.290 1.00 0.00 C ATOM 785 CG1 VAL A 50 12.337 2.306 -5.477 1.00 0.00 C ATOM 786 CG2 VAL A 50 12.185 3.359 -7.739 1.00 0.00 C ATOM 0 H VAL A 50 13.102 6.307 -6.369 1.00 0.00 H new ATOM 0 HA VAL A 50 10.782 4.595 -5.750 1.00 0.00 H new ATOM 0 HB VAL A 50 13.666 3.777 -6.264 1.00 0.00 H new ATOM 0 HG11 VAL A 50 12.869 1.467 -5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.688 2.453 -4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.268 2.094 -5.466 1.00 0.00 H new ATOM 0 HG21 VAL A 50 12.720 2.503 -8.151 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.112 3.175 -7.789 1.00 0.00 H new ATOM 0 HG23 VAL A 50 12.428 4.250 -8.317 1.00 0.00 H new ATOM 796 N PRO A 51 11.266 4.945 -3.307 1.00 0.00 N ATOM 797 CA PRO A 51 11.508 5.013 -1.862 1.00 0.00 C ATOM 798 C PRO A 51 12.414 3.884 -1.371 1.00 0.00 C ATOM 799 O PRO A 51 12.261 2.723 -1.767 1.00 0.00 O ATOM 800 CB PRO A 51 10.108 4.870 -1.257 1.00 0.00 C ATOM 801 CG PRO A 51 9.182 5.312 -2.321 1.00 0.00 C ATOM 802 CD PRO A 51 9.825 4.925 -3.622 1.00 0.00 C ATOM 0 HA PRO A 51 12.018 5.934 -1.580 1.00 0.00 H new ATOM 0 HB2 PRO A 51 9.909 3.839 -0.964 1.00 0.00 H new ATOM 0 HB3 PRO A 51 10.001 5.482 -0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 51 8.207 4.836 -2.212 1.00 0.00 H new ATOM 0 HG3 PRO A 51 9.018 6.389 -2.272 1.00 0.00 H new ATOM 0 HD2 PRO A 51 9.499 3.939 -3.954 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.577 5.627 -4.418 1.00 0.00 H new ATOM 810 N ALA A 52 13.349 4.247 -0.496 1.00 0.00 N ATOM 811 CA ALA A 52 14.363 3.329 0.009 1.00 0.00 C ATOM 812 C ALA A 52 13.742 2.145 0.727 1.00 0.00 C ATOM 813 O ALA A 52 14.277 1.047 0.690 1.00 0.00 O ATOM 814 CB ALA A 52 15.320 4.065 0.936 1.00 0.00 C ATOM 0 H ALA A 52 13.424 5.191 -0.117 1.00 0.00 H new ATOM 0 HA ALA A 52 14.916 2.942 -0.847 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.073 3.370 1.308 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.809 4.871 0.389 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.765 4.481 1.776 1.00 0.00 H new ATOM 820 N GLU A 53 12.604 2.367 1.363 1.00 0.00 N ATOM 821 CA GLU A 53 11.912 1.302 2.074 1.00 0.00 C ATOM 822 C GLU A 53 11.506 0.172 1.136 1.00 0.00 C ATOM 823 O GLU A 53 11.495 -0.992 1.534 1.00 0.00 O ATOM 824 CB GLU A 53 10.686 1.850 2.792 1.00 0.00 C ATOM 825 CG GLU A 53 11.021 2.663 4.029 1.00 0.00 C ATOM 826 CD GLU A 53 11.557 1.803 5.156 1.00 0.00 C ATOM 827 OE1 GLU A 53 12.752 1.435 5.112 1.00 0.00 O ATOM 828 OE2 GLU A 53 10.784 1.475 6.080 1.00 0.00 O ATOM 0 H GLU A 53 12.139 3.274 1.402 1.00 0.00 H new ATOM 0 HA GLU A 53 12.605 0.895 2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 53 10.118 2.473 2.101 1.00 0.00 H new ATOM 0 HB3 GLU A 53 10.040 1.019 3.077 1.00 0.00 H new ATOM 0 HG2 GLU A 53 11.759 3.423 3.772 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.128 3.188 4.369 1.00 0.00 H new ATOM 835 N LEU A 54 11.176 0.513 -0.106 1.00 0.00 N ATOM 836 CA LEU A 54 10.781 -0.494 -1.081 1.00 0.00 C ATOM 837 C LEU A 54 12.022 -1.077 -1.747 1.00 0.00 C ATOM 838 O LEU A 54 12.108 -2.280 -2.004 1.00 0.00 O ATOM 839 CB LEU A 54 9.853 0.089 -2.159 1.00 0.00 C ATOM 840 CG LEU A 54 9.124 1.385 -1.821 1.00 0.00 C ATOM 841 CD1 LEU A 54 8.322 1.837 -3.028 1.00 0.00 C ATOM 842 CD2 LEU A 54 8.212 1.200 -0.625 1.00 0.00 C ATOM 0 H LEU A 54 11.174 1.471 -0.458 1.00 0.00 H new ATOM 0 HA LEU A 54 10.235 -1.274 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.444 0.258 -3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.106 -0.665 -2.406 1.00 0.00 H new ATOM 0 HG LEU A 54 9.860 2.146 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.799 2.763 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.994 2.005 -3.869 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.596 1.068 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 54 7.705 2.139 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU A 54 7.472 0.431 -0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 54 8.803 0.896 0.239 1.00 0.00 H new ATOM 854 N ARG A 55 12.984 -0.204 -2.021 1.00 0.00 N ATOM 855 CA ARG A 55 14.233 -0.596 -2.663 1.00 0.00 C ATOM 856 C ARG A 55 15.022 -1.537 -1.758 1.00 0.00 C ATOM 857 O ARG A 55 15.580 -2.531 -2.213 1.00 0.00 O ATOM 858 CB ARG A 55 15.069 0.645 -2.978 1.00 0.00 C ATOM 859 CG ARG A 55 16.167 0.413 -4.000 1.00 0.00 C ATOM 860 CD ARG A 55 15.603 0.290 -5.407 1.00 0.00 C ATOM 861 NE ARG A 55 16.640 0.493 -6.418 1.00 0.00 N ATOM 862 CZ ARG A 55 16.464 1.184 -7.544 1.00 0.00 C ATOM 863 NH1 ARG A 55 15.266 1.660 -7.859 1.00 0.00 N ATOM 864 NH2 ARG A 55 17.489 1.393 -8.359 1.00 0.00 N ATOM 0 H ARG A 55 12.921 0.791 -1.806 1.00 0.00 H new ATOM 0 HA ARG A 55 14.000 -1.116 -3.592 1.00 0.00 H new ATOM 0 HB2 ARG A 55 14.408 1.431 -3.343 1.00 0.00 H new ATOM 0 HB3 ARG A 55 15.519 1.010 -2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 55 16.879 1.237 -3.963 1.00 0.00 H new ATOM 0 HG3 ARG A 55 16.716 -0.494 -3.746 1.00 0.00 H new ATOM 0 HD2 ARG A 55 15.155 -0.695 -5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 55 14.808 1.022 -5.547 1.00 0.00 H new ATOM 0 HE ARG A 55 17.557 0.079 -6.251 1.00 0.00 H new ATOM 0 HH11 ARG A 55 14.473 1.498 -7.238 1.00 0.00 H new ATOM 0 HH12 ARG A 55 15.138 2.188 -8.722 1.00 0.00 H new ATOM 0 HH21 ARG A 55 18.411 1.025 -8.124 1.00 0.00 H new ATOM 0 HH22 ARG A 55 17.356 1.922 -9.221 1.00 0.00 H new ATOM 878 N ARG A 56 15.051 -1.217 -0.469 1.00 0.00 N ATOM 879 CA ARG A 56 15.736 -2.039 0.517 1.00 0.00 C ATOM 880 C ARG A 56 14.814 -3.144 1.026 1.00 0.00 C ATOM 881 O ARG A 56 14.951 -3.615 2.156 1.00 0.00 O ATOM 882 CB ARG A 56 16.234 -1.177 1.685 1.00 0.00 C ATOM 883 CG ARG A 56 17.062 0.021 1.245 1.00 0.00 C ATOM 884 CD ARG A 56 18.277 -0.401 0.441 1.00 0.00 C ATOM 885 NE ARG A 56 18.927 0.735 -0.211 1.00 0.00 N ATOM 886 CZ ARG A 56 20.242 0.940 -0.214 1.00 0.00 C ATOM 887 NH1 ARG A 56 21.041 0.157 0.498 1.00 0.00 N ATOM 888 NH2 ARG A 56 20.759 1.944 -0.906 1.00 0.00 N ATOM 0 H ARG A 56 14.603 -0.386 -0.082 1.00 0.00 H new ATOM 0 HA ARG A 56 16.599 -2.502 0.038 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.376 -0.825 2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.832 -1.796 2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.444 0.690 0.646 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.383 0.583 2.122 1.00 0.00 H new ATOM 0 HD2 ARG A 56 18.991 -0.898 1.098 1.00 0.00 H new ATOM 0 HD3 ARG A 56 17.977 -1.128 -0.313 1.00 0.00 H new ATOM 0 HE ARG A 56 18.336 1.412 -0.693 1.00 0.00 H new ATOM 0 HH11 ARG A 56 20.648 -0.605 1.050 1.00 0.00 H new ATOM 0 HH12 ARG A 56 22.048 0.317 0.493 1.00 0.00 H new ATOM 0 HH21 ARG A 56 20.149 2.563 -1.439 1.00 0.00 H new ATOM 0 HH22 ARG A 56 21.767 2.098 -0.906 1.00 0.00 H new ATOM 902 N LEU A 57 13.860 -3.524 0.191 1.00 0.00 N ATOM 903 CA LEU A 57 12.970 -4.637 0.476 1.00 0.00 C ATOM 904 C LEU A 57 13.058 -5.620 -0.684 1.00 0.00 C ATOM 905 O LEU A 57 13.145 -6.835 -0.492 1.00 0.00 O ATOM 906 CB LEU A 57 11.530 -4.125 0.664 1.00 0.00 C ATOM 907 CG LEU A 57 10.517 -5.102 1.289 1.00 0.00 C ATOM 908 CD1 LEU A 57 10.115 -6.197 0.311 1.00 0.00 C ATOM 909 CD2 LEU A 57 11.081 -5.710 2.562 1.00 0.00 C ATOM 0 H LEU A 57 13.681 -3.069 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 57 13.263 -5.137 1.399 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.567 -3.231 1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.149 -3.819 -0.310 1.00 0.00 H new ATOM 0 HG LEU A 57 9.620 -4.533 1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 57 9.399 -6.866 0.788 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.659 -5.748 -0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.999 -6.762 0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 57 10.352 -6.398 2.991 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.999 -6.251 2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.297 -4.918 3.279 1.00 0.00 H new ATOM 921 N ALA A 58 13.046 -5.074 -1.891 1.00 0.00 N ATOM 922 CA ALA A 58 13.221 -5.863 -3.095 1.00 0.00 C ATOM 923 C ALA A 58 14.678 -6.187 -3.324 1.00 0.00 C ATOM 924 O ALA A 58 15.559 -5.342 -3.173 1.00 0.00 O ATOM 925 CB ALA A 58 12.665 -5.133 -4.307 1.00 0.00 C ATOM 0 H ALA A 58 12.915 -4.077 -2.060 1.00 0.00 H new ATOM 0 HA ALA A 58 12.671 -6.794 -2.959 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.808 -5.745 -5.198 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.601 -4.946 -4.162 1.00 0.00 H new ATOM 0 HB3 ALA A 58 13.187 -4.184 -4.431 1.00 0.00 H new ATOM 931 N HIS A 59 14.918 -7.424 -3.682 1.00 0.00 N ATOM 932 CA HIS A 59 16.234 -7.859 -4.074 1.00 0.00 C ATOM 933 C HIS A 59 16.239 -8.087 -5.578 1.00 0.00 C ATOM 934 O HIS A 59 15.281 -8.633 -6.132 1.00 0.00 O ATOM 935 CB HIS A 59 16.629 -9.119 -3.289 1.00 0.00 C ATOM 936 CG HIS A 59 17.608 -10.010 -3.987 1.00 0.00 C ATOM 937 ND1 HIS A 59 17.425 -10.838 -5.032 1.00 0.00 N flip ATOM 938 CD2 HIS A 59 18.928 -10.138 -3.621 1.00 0.00 C flip ATOM 939 CE1 HIS A 59 18.622 -11.451 -5.284 1.00 0.00 C flip ATOM 940 NE2 HIS A 59 19.517 -11.011 -4.420 1.00 0.00 N flip ATOM 0 H HIS A 59 14.208 -8.156 -3.710 1.00 0.00 H new ATOM 0 HA HIS A 59 16.978 -7.098 -3.840 1.00 0.00 H new ATOM 0 HB2 HIS A 59 17.053 -8.816 -2.332 1.00 0.00 H new ATOM 0 HB3 HIS A 59 15.728 -9.692 -3.071 1.00 0.00 H new ATOM 0 HD1 HIS A 59 16.554 -10.982 -5.543 1.00 0.00 H new ATOM 0 HD2 HIS A 59 19.407 -9.609 -2.810 1.00 0.00 H new ATOM 0 HE1 HIS A 59 18.804 -12.177 -6.063 1.00 0.00 H new ATOM 949 N GLY A 60 17.309 -7.671 -6.225 1.00 0.00 N ATOM 950 CA GLY A 60 17.373 -7.731 -7.667 1.00 0.00 C ATOM 951 C GLY A 60 17.251 -6.351 -8.263 1.00 0.00 C ATOM 952 O GLY A 60 17.826 -6.056 -9.308 1.00 0.00 O ATOM 0 H GLY A 60 18.141 -7.290 -5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 60 18.315 -8.184 -7.976 1.00 0.00 H new ATOM 0 HA3 GLY A 60 16.574 -8.368 -8.045 1.00 0.00 H new ATOM 956 N GLY A 61 16.494 -5.503 -7.585 1.00 0.00 N ATOM 957 CA GLY A 61 16.364 -4.127 -8.011 1.00 0.00 C ATOM 958 C GLY A 61 15.015 -3.828 -8.617 1.00 0.00 C ATOM 959 O GLY A 61 14.572 -2.678 -8.619 1.00 0.00 O ATOM 0 H GLY A 61 15.967 -5.744 -6.746 1.00 0.00 H new ATOM 0 HA2 GLY A 61 16.527 -3.470 -7.157 1.00 0.00 H new ATOM 0 HA3 GLY A 61 17.143 -3.902 -8.740 1.00 0.00 H new ATOM 963 N GLN A 62 14.358 -4.854 -9.140 1.00 0.00 N ATOM 964 CA GLN A 62 13.042 -4.688 -9.712 1.00 0.00 C ATOM 965 C GLN A 62 12.013 -4.534 -8.605 1.00 0.00 C ATOM 966 O GLN A 62 11.544 -5.515 -8.025 1.00 0.00 O ATOM 967 CB GLN A 62 12.695 -5.878 -10.590 1.00 0.00 C ATOM 968 CG GLN A 62 11.278 -5.832 -11.149 1.00 0.00 C ATOM 969 CD GLN A 62 10.904 -7.068 -11.945 1.00 0.00 C ATOM 970 OE1 GLN A 62 11.882 -7.686 -12.585 1.00 0.00 O flip ATOM 971 NE2 GLN A 62 9.739 -7.465 -11.981 1.00 0.00 N flip ATOM 0 H GLN A 62 14.720 -5.807 -9.177 1.00 0.00 H new ATOM 0 HA GLN A 62 13.036 -3.789 -10.329 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.402 -5.926 -11.418 1.00 0.00 H new ATOM 0 HB3 GLN A 62 12.819 -6.794 -10.012 1.00 0.00 H new ATOM 0 HG2 GLN A 62 10.574 -5.713 -10.325 1.00 0.00 H new ATOM 0 HG3 GLN A 62 11.175 -4.954 -11.786 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.012 -6.960 -11.473 1.00 0.00 H new ATOM 0 HE22 GLN A 62 9.501 -8.299 -12.518 1.00 0.00 H new ATOM 980 N VAL A 63 11.706 -3.295 -8.290 1.00 0.00 N ATOM 981 CA VAL A 63 10.668 -2.989 -7.334 1.00 0.00 C ATOM 982 C VAL A 63 9.546 -2.227 -8.035 1.00 0.00 C ATOM 983 O VAL A 63 9.684 -1.052 -8.382 1.00 0.00 O ATOM 984 CB VAL A 63 11.220 -2.189 -6.128 1.00 0.00 C ATOM 985 CG1 VAL A 63 12.056 -1.002 -6.585 1.00 0.00 C ATOM 986 CG2 VAL A 63 10.087 -1.732 -5.221 1.00 0.00 C ATOM 0 H VAL A 63 12.167 -2.476 -8.687 1.00 0.00 H new ATOM 0 HA VAL A 63 10.272 -3.923 -6.936 1.00 0.00 H new ATOM 0 HB VAL A 63 11.870 -2.853 -5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 63 12.428 -0.462 -5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.898 -1.357 -7.179 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.441 -0.335 -7.190 1.00 0.00 H new ATOM 0 HG21 VAL A 63 10.497 -1.172 -4.380 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.405 -1.094 -5.784 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.546 -2.602 -4.848 1.00 0.00 H new ATOM 996 N ASN A 64 8.446 -2.915 -8.279 1.00 0.00 N ATOM 997 CA ASN A 64 7.324 -2.314 -8.983 1.00 0.00 C ATOM 998 C ASN A 64 6.231 -1.943 -7.997 1.00 0.00 C ATOM 999 O ASN A 64 5.675 -2.810 -7.332 1.00 0.00 O ATOM 1000 CB ASN A 64 6.774 -3.283 -10.029 1.00 0.00 C ATOM 1001 CG ASN A 64 5.648 -2.681 -10.857 1.00 0.00 C ATOM 1002 OD1 ASN A 64 4.711 -3.379 -11.246 1.00 0.00 O ATOM 1003 ND2 ASN A 64 5.736 -1.392 -11.153 1.00 0.00 N ATOM 0 H ASN A 64 8.304 -3.886 -8.002 1.00 0.00 H new ATOM 0 HA ASN A 64 7.671 -1.412 -9.487 1.00 0.00 H new ATOM 0 HB2 ASN A 64 7.582 -3.591 -10.693 1.00 0.00 H new ATOM 0 HB3 ASN A 64 6.411 -4.182 -9.530 1.00 0.00 H new ATOM 0 HD21 ASN A 64 5.013 -0.948 -11.720 1.00 0.00 H new ATOM 0 HD22 ASN A 64 6.526 -0.844 -10.814 1.00 0.00 H new ATOM 1010 N LEU A 65 5.923 -0.657 -7.918 1.00 0.00 N ATOM 1011 CA LEU A 65 4.968 -0.154 -6.944 1.00 0.00 C ATOM 1012 C LEU A 65 3.620 0.136 -7.599 1.00 0.00 C ATOM 1013 O LEU A 65 3.533 0.875 -8.580 1.00 0.00 O ATOM 1014 CB LEU A 65 5.512 1.112 -6.270 1.00 0.00 C ATOM 1015 CG LEU A 65 4.579 1.765 -5.259 1.00 0.00 C ATOM 1016 CD1 LEU A 65 4.570 0.961 -3.979 1.00 0.00 C ATOM 1017 CD2 LEU A 65 4.990 3.209 -4.998 1.00 0.00 C ATOM 0 H LEU A 65 6.324 0.061 -8.522 1.00 0.00 H new ATOM 0 HA LEU A 65 4.820 -0.923 -6.186 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.447 0.863 -5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.750 1.842 -7.044 1.00 0.00 H new ATOM 0 HG LEU A 65 3.568 1.780 -5.667 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.901 1.432 -3.258 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.224 -0.051 -4.188 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.578 0.922 -3.567 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.310 3.656 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.006 3.233 -4.605 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.949 3.773 -5.930 1.00 0.00 H new ATOM 1029 N ASP A 66 2.580 -0.468 -7.042 1.00 0.00 N ATOM 1030 CA ASP A 66 1.210 -0.273 -7.506 1.00 0.00 C ATOM 1031 C ASP A 66 0.485 0.650 -6.533 1.00 0.00 C ATOM 1032 O ASP A 66 0.989 0.900 -5.444 1.00 0.00 O ATOM 1033 CB ASP A 66 0.494 -1.624 -7.591 1.00 0.00 C ATOM 1034 CG ASP A 66 -0.847 -1.541 -8.289 1.00 0.00 C ATOM 1035 OD1 ASP A 66 -0.871 -1.541 -9.535 1.00 0.00 O ATOM 1036 OD2 ASP A 66 -1.882 -1.490 -7.598 1.00 0.00 O ATOM 0 H ASP A 66 2.661 -1.109 -6.253 1.00 0.00 H new ATOM 0 HA ASP A 66 1.215 0.179 -8.498 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.130 -2.333 -8.121 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.350 -2.016 -6.584 1.00 0.00 H new ATOM 1041 N MET A 67 -0.675 1.173 -6.910 1.00 0.00 N ATOM 1042 CA MET A 67 -1.369 2.134 -6.056 1.00 0.00 C ATOM 1043 C MET A 67 -2.832 1.753 -5.834 1.00 0.00 C ATOM 1044 O MET A 67 -3.598 1.588 -6.785 1.00 0.00 O ATOM 1045 CB MET A 67 -1.280 3.543 -6.650 1.00 0.00 C ATOM 1046 CG MET A 67 0.147 4.050 -6.815 1.00 0.00 C ATOM 1047 SD MET A 67 0.227 5.758 -7.385 1.00 0.00 S ATOM 1048 CE MET A 67 -0.491 6.613 -5.983 1.00 0.00 C ATOM 0 H MET A 67 -1.150 0.954 -7.786 1.00 0.00 H new ATOM 0 HA MET A 67 -0.871 2.119 -5.086 1.00 0.00 H new ATOM 0 HB2 MET A 67 -1.773 3.549 -7.622 1.00 0.00 H new ATOM 0 HB3 MET A 67 -1.829 4.233 -6.009 1.00 0.00 H new ATOM 0 HG2 MET A 67 0.669 3.966 -5.862 1.00 0.00 H new ATOM 0 HG3 MET A 67 0.674 3.411 -7.524 1.00 0.00 H new ATOM 0 HE1 MET A 67 -0.172 7.655 -5.990 1.00 0.00 H new ATOM 0 HE2 MET A 67 -1.578 6.566 -6.046 1.00 0.00 H new ATOM 0 HE3 MET A 67 -0.161 6.138 -5.059 1.00 0.00 H new ATOM 1058 N GLU A 68 -3.202 1.618 -4.565 1.00 0.00 N ATOM 1059 CA GLU A 68 -4.579 1.356 -4.166 1.00 0.00 C ATOM 1060 C GLU A 68 -5.137 2.557 -3.420 1.00 0.00 C ATOM 1061 O GLU A 68 -4.378 3.388 -2.927 1.00 0.00 O ATOM 1062 CB GLU A 68 -4.657 0.148 -3.235 1.00 0.00 C ATOM 1063 CG GLU A 68 -4.291 -1.176 -3.872 1.00 0.00 C ATOM 1064 CD GLU A 68 -4.446 -2.320 -2.895 1.00 0.00 C ATOM 1065 OE1 GLU A 68 -5.576 -2.542 -2.405 1.00 0.00 O ATOM 1066 OE2 GLU A 68 -3.447 -2.992 -2.589 1.00 0.00 O ATOM 0 H GLU A 68 -2.552 1.688 -3.782 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.155 1.160 -5.070 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.996 0.320 -2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.671 0.077 -2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.924 -1.350 -4.742 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.262 -1.137 -4.229 1.00 0.00 H new ATOM 1073 N ASP A 69 -6.453 2.643 -3.317 1.00 0.00 N ATOM 1074 CA ASP A 69 -7.075 3.686 -2.516 1.00 0.00 C ATOM 1075 C ASP A 69 -8.116 3.083 -1.588 1.00 0.00 C ATOM 1076 O ASP A 69 -9.052 2.422 -2.031 1.00 0.00 O ATOM 1077 CB ASP A 69 -7.722 4.754 -3.397 1.00 0.00 C ATOM 1078 CG ASP A 69 -8.064 6.015 -2.620 1.00 0.00 C ATOM 1079 OD1 ASP A 69 -8.852 5.937 -1.650 1.00 0.00 O ATOM 1080 OD2 ASP A 69 -7.544 7.093 -2.983 1.00 0.00 O ATOM 0 H ASP A 69 -7.108 2.008 -3.774 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.294 4.162 -1.924 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -7.046 5.006 -4.214 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.629 4.350 -3.847 1.00 0.00 H new ATOM 1085 N HIS A 70 -7.917 3.280 -0.297 1.00 0.00 N ATOM 1086 CA HIS A 70 -8.854 2.824 0.722 1.00 0.00 C ATOM 1087 C HIS A 70 -8.958 3.898 1.792 1.00 0.00 C ATOM 1088 O HIS A 70 -9.022 3.601 2.991 1.00 0.00 O ATOM 1089 CB HIS A 70 -8.382 1.511 1.366 1.00 0.00 C ATOM 1090 CG HIS A 70 -8.136 0.393 0.399 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -9.086 -0.548 0.081 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -7.029 0.061 -0.312 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -8.581 -1.407 -0.781 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -7.335 -1.061 -1.037 1.00 0.00 N ATOM 0 H HIS A 70 -7.100 3.762 0.078 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.823 2.642 0.256 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -7.463 1.703 1.920 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -9.129 1.188 2.091 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -10.035 -0.577 0.454 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.084 0.583 -0.307 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -9.101 -2.253 -1.206 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.702 -1.549 -1.671 1.00 0.00 H new ATOM 1103 N ARG A 71 -8.945 5.154 1.349 1.00 0.00 N ATOM 1104 CA ARG A 71 -8.905 6.299 2.252 1.00 0.00 C ATOM 1105 C ARG A 71 -10.255 6.536 2.903 1.00 0.00 C ATOM 1106 O ARG A 71 -10.881 7.584 2.718 1.00 0.00 O ATOM 1107 CB ARG A 71 -8.459 7.548 1.505 1.00 0.00 C ATOM 1108 CG ARG A 71 -7.124 7.379 0.809 1.00 0.00 C ATOM 1109 CD ARG A 71 -6.718 8.636 0.080 1.00 0.00 C ATOM 1110 NE ARG A 71 -6.422 9.733 1.001 1.00 0.00 N ATOM 1111 CZ ARG A 71 -6.067 10.956 0.607 1.00 0.00 C ATOM 1112 NH1 ARG A 71 -5.982 11.242 -0.685 1.00 0.00 N ATOM 1113 NH2 ARG A 71 -5.809 11.899 1.505 1.00 0.00 N ATOM 0 H ARG A 71 -8.962 5.404 0.360 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.184 6.077 3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -9.216 7.812 0.767 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -8.394 8.380 2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.360 7.120 1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.183 6.550 0.103 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.841 8.432 -0.534 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.518 8.937 -0.597 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.491 9.552 2.002 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.189 10.525 -1.381 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -5.710 12.179 -0.983 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.882 11.689 2.500 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.538 12.834 1.200 1.00 0.00 H new ATOM 1127 N ASP A 72 -10.681 5.546 3.663 1.00 0.00 N ATOM 1128 CA ASP A 72 -11.966 5.559 4.332 1.00 0.00 C ATOM 1129 C ASP A 72 -12.106 4.267 5.127 1.00 0.00 C ATOM 1130 O ASP A 72 -12.582 4.257 6.262 1.00 0.00 O ATOM 1131 CB ASP A 72 -13.078 5.675 3.294 1.00 0.00 C ATOM 1132 CG ASP A 72 -14.415 6.026 3.902 1.00 0.00 C ATOM 1133 OD1 ASP A 72 -14.704 7.233 4.048 1.00 0.00 O ATOM 1134 OD2 ASP A 72 -15.190 5.108 4.220 1.00 0.00 O ATOM 0 H ASP A 72 -10.137 4.700 3.835 1.00 0.00 H new ATOM 0 HA ASP A 72 -12.038 6.411 5.008 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.807 6.435 2.562 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -13.166 4.731 2.756 1.00 0.00 H new ATOM 1139 N GLU A 73 -11.640 3.184 4.508 1.00 0.00 N ATOM 1140 CA GLU A 73 -11.592 1.868 5.132 1.00 0.00 C ATOM 1141 C GLU A 73 -10.655 1.850 6.332 1.00 0.00 C ATOM 1142 O GLU A 73 -10.979 1.277 7.367 1.00 0.00 O ATOM 1143 CB GLU A 73 -11.107 0.839 4.113 1.00 0.00 C ATOM 1144 CG GLU A 73 -12.212 0.246 3.260 1.00 0.00 C ATOM 1145 CD GLU A 73 -11.775 -1.015 2.543 1.00 0.00 C ATOM 1146 OE1 GLU A 73 -11.260 -0.915 1.411 1.00 0.00 O ATOM 1147 OE2 GLU A 73 -11.941 -2.113 3.113 1.00 0.00 O ATOM 0 H GLU A 73 -11.283 3.198 3.553 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.598 1.625 5.475 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.371 1.308 3.460 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.597 0.033 4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -13.073 0.023 3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -12.537 0.984 2.526 1.00 0.00 H new ATOM 1154 N ASP A 74 -9.499 2.488 6.154 1.00 0.00 N ATOM 1155 CA ASP A 74 -8.398 2.493 7.128 1.00 0.00 C ATOM 1156 C ASP A 74 -7.618 1.184 7.081 1.00 0.00 C ATOM 1157 O ASP A 74 -8.075 0.193 6.514 1.00 0.00 O ATOM 1158 CB ASP A 74 -8.846 2.837 8.564 1.00 0.00 C ATOM 1159 CG ASP A 74 -8.712 1.698 9.569 1.00 0.00 C ATOM 1160 OD1 ASP A 74 -7.625 1.564 10.177 1.00 0.00 O ATOM 1161 OD2 ASP A 74 -9.697 0.962 9.789 1.00 0.00 O ATOM 0 H ASP A 74 -9.293 3.028 5.313 1.00 0.00 H new ATOM 0 HA ASP A 74 -7.731 3.301 6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -8.260 3.685 8.918 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.887 3.158 8.537 1.00 0.00 H new ATOM 1166 N PHE A 75 -6.441 1.211 7.682 1.00 0.00 N ATOM 1167 CA PHE A 75 -5.432 0.163 7.516 1.00 0.00 C ATOM 1168 C PHE A 75 -5.981 -1.240 7.751 1.00 0.00 C ATOM 1169 O PHE A 75 -6.539 -1.531 8.808 1.00 0.00 O ATOM 1170 CB PHE A 75 -4.284 0.434 8.469 1.00 0.00 C ATOM 1171 CG PHE A 75 -3.133 -0.514 8.333 1.00 0.00 C ATOM 1172 CD1 PHE A 75 -2.550 -0.738 7.099 1.00 0.00 C ATOM 1173 CD2 PHE A 75 -2.628 -1.175 9.438 1.00 0.00 C ATOM 1174 CE1 PHE A 75 -1.490 -1.602 6.971 1.00 0.00 C ATOM 1175 CE2 PHE A 75 -1.563 -2.043 9.314 1.00 0.00 C ATOM 1176 CZ PHE A 75 -0.993 -2.255 8.079 1.00 0.00 C ATOM 0 H PHE A 75 -6.150 1.964 8.305 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.094 0.193 6.480 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.924 1.450 8.306 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.658 0.389 9.492 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.932 -0.228 6.227 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.072 -1.010 10.408 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.045 -1.770 6.001 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.177 -2.555 10.183 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.158 -2.932 7.978 1.00 0.00 H new ATOM 1186 N VAL A 76 -5.779 -2.118 6.769 1.00 0.00 N ATOM 1187 CA VAL A 76 -6.335 -3.459 6.836 1.00 0.00 C ATOM 1188 C VAL A 76 -5.624 -4.431 5.887 1.00 0.00 C ATOM 1189 O VAL A 76 -5.652 -5.642 6.096 1.00 0.00 O ATOM 1190 CB VAL A 76 -7.839 -3.411 6.500 1.00 0.00 C ATOM 1191 CG1 VAL A 76 -8.078 -3.273 5.002 1.00 0.00 C ATOM 1192 CG2 VAL A 76 -8.571 -4.621 7.067 1.00 0.00 C ATOM 0 H VAL A 76 -5.238 -1.923 5.926 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.186 -3.827 7.851 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.249 -2.521 6.977 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -9.150 -3.243 4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.617 -2.353 4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.638 -4.125 4.483 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.629 -4.558 6.813 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.150 -5.533 6.643 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -8.458 -4.639 8.151 1.00 0.00 H new ATOM 1202 N LYS A 77 -4.968 -3.894 4.858 1.00 0.00 N ATOM 1203 CA LYS A 77 -4.424 -4.718 3.779 1.00 0.00 C ATOM 1204 C LYS A 77 -3.347 -5.721 4.247 1.00 0.00 C ATOM 1205 O LYS A 77 -3.558 -6.927 4.158 1.00 0.00 O ATOM 1206 CB LYS A 77 -3.932 -3.833 2.625 1.00 0.00 C ATOM 1207 CG LYS A 77 -5.033 -3.343 1.699 1.00 0.00 C ATOM 1208 CD LYS A 77 -5.417 -4.390 0.668 1.00 0.00 C ATOM 1209 CE LYS A 77 -4.202 -4.861 -0.112 1.00 0.00 C ATOM 1210 NZ LYS A 77 -4.540 -5.184 -1.525 1.00 0.00 N ATOM 0 H LYS A 77 -4.801 -2.894 4.749 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.242 -5.339 3.413 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.412 -2.970 3.041 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -3.203 -4.392 2.039 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -5.910 -3.076 2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.703 -2.437 1.190 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -5.886 -5.239 1.165 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -6.155 -3.975 -0.018 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.434 -4.087 -0.090 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.780 -5.742 0.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.367 -6.194 -1.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -5.542 -4.969 -1.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.947 -4.615 -2.163 1.00 0.00 H new ATOM 1224 N PRO A 78 -2.186 -5.247 4.731 1.00 0.00 N ATOM 1225 CA PRO A 78 -1.101 -6.117 5.233 1.00 0.00 C ATOM 1226 C PRO A 78 -1.548 -7.056 6.348 1.00 0.00 C ATOM 1227 O PRO A 78 -1.059 -8.182 6.453 1.00 0.00 O ATOM 1228 CB PRO A 78 -0.095 -5.114 5.787 1.00 0.00 C ATOM 1229 CG PRO A 78 -0.327 -3.889 4.984 1.00 0.00 C ATOM 1230 CD PRO A 78 -1.815 -3.837 4.793 1.00 0.00 C ATOM 0 HA PRO A 78 -0.720 -6.771 4.449 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.258 -4.931 6.849 1.00 0.00 H new ATOM 0 HB3 PRO A 78 0.928 -5.474 5.679 1.00 0.00 H new ATOM 0 HG2 PRO A 78 0.037 -3.001 5.501 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.194 -3.937 4.028 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -2.310 -3.325 5.618 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -2.087 -3.307 3.880 1.00 0.00 H new ATOM 1238 N LYS A 79 -2.444 -6.558 7.197 1.00 0.00 N ATOM 1239 CA LYS A 79 -2.996 -7.341 8.305 1.00 0.00 C ATOM 1240 C LYS A 79 -3.478 -8.712 7.837 1.00 0.00 C ATOM 1241 O LYS A 79 -3.009 -9.746 8.316 1.00 0.00 O ATOM 1242 CB LYS A 79 -4.171 -6.605 8.957 1.00 0.00 C ATOM 1243 CG LYS A 79 -3.825 -5.241 9.529 1.00 0.00 C ATOM 1244 CD LYS A 79 -5.023 -4.636 10.247 1.00 0.00 C ATOM 1245 CE LYS A 79 -4.664 -3.344 10.963 1.00 0.00 C ATOM 1246 NZ LYS A 79 -5.811 -2.800 11.735 1.00 0.00 N ATOM 0 H LYS A 79 -2.807 -5.607 7.139 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.193 -7.474 9.030 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.962 -6.484 8.217 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -4.574 -7.228 9.756 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.989 -5.334 10.222 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.502 -4.577 8.727 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.818 -4.443 9.527 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.414 -5.354 10.968 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.826 -3.523 11.636 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.334 -2.604 10.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -5.525 -1.919 12.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.603 -2.605 11.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.110 -3.495 12.449 1.00 0.00 H new ATOM 1260 N GLY A 80 -4.416 -8.705 6.903 1.00 0.00 N ATOM 1261 CA GLY A 80 -4.991 -9.938 6.414 1.00 0.00 C ATOM 1262 C GLY A 80 -6.474 -9.786 6.179 1.00 0.00 C ATOM 1263 O GLY A 80 -6.948 -8.665 5.976 1.00 0.00 O ATOM 0 H GLY A 80 -4.791 -7.860 6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.500 -10.230 5.486 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -4.813 -10.737 7.134 1.00 0.00 H new ATOM 1267 N ALA A 81 -7.200 -10.909 6.199 1.00 0.00 N ATOM 1268 CA ALA A 81 -8.663 -10.935 6.022 1.00 0.00 C ATOM 1269 C ALA A 81 -9.071 -10.597 4.585 1.00 0.00 C ATOM 1270 O ALA A 81 -9.950 -11.255 4.021 1.00 0.00 O ATOM 1271 CB ALA A 81 -9.348 -9.997 7.010 1.00 0.00 C ATOM 0 H ALA A 81 -6.790 -11.833 6.339 1.00 0.00 H new ATOM 0 HA ALA A 81 -8.994 -11.954 6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -10.427 -10.034 6.859 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.113 -10.307 8.028 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.994 -8.979 6.850 1.00 0.00 H new ATOM 1277 N PHE A 82 -8.441 -9.581 4.007 1.00 0.00 N ATOM 1278 CA PHE A 82 -8.664 -9.204 2.614 1.00 0.00 C ATOM 1279 C PHE A 82 -10.131 -8.886 2.344 1.00 0.00 C ATOM 1280 O PHE A 82 -10.779 -9.519 1.506 1.00 0.00 O ATOM 1281 CB PHE A 82 -8.172 -10.303 1.663 1.00 0.00 C ATOM 1282 CG PHE A 82 -6.684 -10.509 1.705 1.00 0.00 C ATOM 1283 CD1 PHE A 82 -5.846 -9.749 0.904 1.00 0.00 C ATOM 1284 CD2 PHE A 82 -6.126 -11.459 2.543 1.00 0.00 C ATOM 1285 CE1 PHE A 82 -4.478 -9.933 0.942 1.00 0.00 C ATOM 1286 CE2 PHE A 82 -4.759 -11.648 2.584 1.00 0.00 C ATOM 1287 CZ PHE A 82 -3.933 -10.884 1.782 1.00 0.00 C ATOM 0 H PHE A 82 -7.761 -8.994 4.490 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.086 -8.298 2.428 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.668 -11.240 1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.467 -10.051 0.645 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.267 -9.006 0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -6.767 -12.059 3.172 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.835 -9.333 0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -4.336 -12.392 3.242 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.863 -11.030 1.812 1.00 0.00 H new ATOM 1297 N LYS A 83 -10.656 -7.917 3.081 1.00 0.00 N ATOM 1298 CA LYS A 83 -11.993 -7.403 2.824 1.00 0.00 C ATOM 1299 C LYS A 83 -11.890 -6.053 2.132 1.00 0.00 C ATOM 1300 O LYS A 83 -12.893 -5.482 1.710 1.00 0.00 O ATOM 1301 CB LYS A 83 -12.784 -7.239 4.124 1.00 0.00 C ATOM 1302 CG LYS A 83 -12.225 -6.156 5.033 1.00 0.00 C ATOM 1303 CD LYS A 83 -13.183 -5.816 6.168 1.00 0.00 C ATOM 1304 CE LYS A 83 -13.535 -7.033 7.006 1.00 0.00 C ATOM 1305 NZ LYS A 83 -14.459 -6.686 8.118 1.00 0.00 N ATOM 0 H LYS A 83 -10.175 -7.471 3.862 1.00 0.00 H new ATOM 0 HA LYS A 83 -12.516 -8.118 2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.821 -7.003 3.884 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.789 -8.188 4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -11.273 -6.486 5.448 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.023 -5.259 4.447 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.732 -5.056 6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.095 -5.386 5.755 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.996 -7.790 6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -12.624 -7.471 7.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.677 -7.541 8.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -14.009 -5.982 8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.339 -6.292 7.728 1.00 0.00 H new ATOM 1319 N ALA A 84 -10.659 -5.555 2.040 1.00 0.00 N ATOM 1320 CA ALA A 84 -10.387 -4.241 1.479 1.00 0.00 C ATOM 1321 C ALA A 84 -10.930 -4.132 0.063 1.00 0.00 C ATOM 1322 O ALA A 84 -10.640 -4.974 -0.791 1.00 0.00 O ATOM 1323 CB ALA A 84 -8.890 -3.962 1.504 1.00 0.00 C ATOM 0 H ALA A 84 -9.826 -6.053 2.353 1.00 0.00 H new ATOM 0 HA ALA A 84 -10.893 -3.493 2.089 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -8.697 -2.976 1.082 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -8.531 -3.993 2.533 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -8.369 -4.717 0.915 1.00 0.00 H new ATOM 1329 N PHE A 85 -11.703 -3.091 -0.187 1.00 0.00 N ATOM 1330 CA PHE A 85 -12.381 -2.944 -1.460 1.00 0.00 C ATOM 1331 C PHE A 85 -11.481 -2.232 -2.470 1.00 0.00 C ATOM 1332 O PHE A 85 -11.569 -1.018 -2.660 1.00 0.00 O ATOM 1333 CB PHE A 85 -13.697 -2.181 -1.280 1.00 0.00 C ATOM 1334 CG PHE A 85 -14.620 -2.264 -2.469 1.00 0.00 C ATOM 1335 CD1 PHE A 85 -15.506 -3.322 -2.600 1.00 0.00 C ATOM 1336 CD2 PHE A 85 -14.602 -1.287 -3.455 1.00 0.00 C ATOM 1337 CE1 PHE A 85 -16.356 -3.403 -3.687 1.00 0.00 C ATOM 1338 CE2 PHE A 85 -15.450 -1.364 -4.543 1.00 0.00 C ATOM 1339 CZ PHE A 85 -16.328 -2.424 -4.660 1.00 0.00 C ATOM 0 H PHE A 85 -11.876 -2.335 0.475 1.00 0.00 H new ATOM 0 HA PHE A 85 -12.608 -3.938 -1.846 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -14.214 -2.571 -0.403 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -13.473 -1.133 -1.079 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -15.532 -4.092 -1.844 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -13.917 -0.457 -3.371 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -17.042 -4.232 -3.775 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -15.426 -0.596 -5.302 1.00 0.00 H new ATOM 0 HZ PHE A 85 -16.991 -2.487 -5.510 1.00 0.00 H new ATOM 1349 N THR A 86 -10.592 -2.991 -3.091 1.00 0.00 N ATOM 1350 CA THR A 86 -9.721 -2.462 -4.128 1.00 0.00 C ATOM 1351 C THR A 86 -10.475 -2.377 -5.452 1.00 0.00 C ATOM 1352 O THR A 86 -10.387 -3.278 -6.290 1.00 0.00 O ATOM 1353 CB THR A 86 -8.470 -3.345 -4.305 1.00 0.00 C ATOM 1354 OG1 THR A 86 -7.876 -3.606 -3.025 1.00 0.00 O ATOM 1355 CG2 THR A 86 -7.447 -2.671 -5.212 1.00 0.00 C ATOM 0 H THR A 86 -10.454 -3.982 -2.893 1.00 0.00 H new ATOM 0 HA THR A 86 -9.402 -1.465 -3.823 1.00 0.00 H new ATOM 0 HB THR A 86 -8.778 -4.282 -4.768 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.013 -3.146 -2.965 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.575 -3.316 -5.319 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.890 -2.494 -6.192 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.143 -1.720 -4.774 1.00 0.00 H new ATOM 1363 N GLY A 87 -11.233 -1.305 -5.625 1.00 0.00 N ATOM 1364 CA GLY A 87 -12.003 -1.133 -6.835 1.00 0.00 C ATOM 1365 C GLY A 87 -12.310 0.319 -7.122 1.00 0.00 C ATOM 1366 O GLY A 87 -11.946 1.202 -6.346 1.00 0.00 O ATOM 0 H GLY A 87 -11.328 -0.550 -4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.454 -1.558 -7.675 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -12.937 -1.689 -6.750 1.00 0.00 H new ATOM 1370 N GLU A 88 -12.990 0.557 -8.231 1.00 0.00 N ATOM 1371 CA GLU A 88 -13.351 1.904 -8.651 1.00 0.00 C ATOM 1372 C GLU A 88 -14.670 2.318 -8.003 1.00 0.00 C ATOM 1373 O GLU A 88 -14.834 3.456 -7.552 1.00 0.00 O ATOM 1374 CB GLU A 88 -13.477 1.936 -10.177 1.00 0.00 C ATOM 1375 CG GLU A 88 -13.910 3.276 -10.749 1.00 0.00 C ATOM 1376 CD GLU A 88 -12.833 4.333 -10.667 1.00 0.00 C ATOM 1377 OE1 GLU A 88 -11.841 4.233 -11.421 1.00 0.00 O ATOM 1378 OE2 GLU A 88 -12.991 5.286 -9.878 1.00 0.00 O ATOM 0 H GLU A 88 -13.308 -0.175 -8.866 1.00 0.00 H new ATOM 0 HA GLU A 88 -12.578 2.605 -8.337 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -12.516 1.663 -10.613 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.195 1.176 -10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -14.201 3.142 -11.791 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -14.793 3.624 -10.214 1.00 0.00 H new ATOM 1385 N GLY A 89 -15.598 1.370 -7.932 1.00 0.00 N ATOM 1386 CA GLY A 89 -16.917 1.640 -7.387 1.00 0.00 C ATOM 1387 C GLY A 89 -16.942 1.625 -5.870 1.00 0.00 C ATOM 1388 O GLY A 89 -17.841 1.054 -5.260 1.00 0.00 O ATOM 0 H GLY A 89 -15.458 0.409 -8.246 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -17.259 2.612 -7.742 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -17.620 0.897 -7.765 1.00 0.00 H new ATOM 1392 N GLN A 90 -15.952 2.261 -5.267 1.00 0.00 N ATOM 1393 CA GLN A 90 -15.849 2.334 -3.819 1.00 0.00 C ATOM 1394 C GLN A 90 -16.567 3.578 -3.305 1.00 0.00 C ATOM 1395 O GLN A 90 -16.458 4.650 -3.902 1.00 0.00 O ATOM 1396 CB GLN A 90 -14.373 2.335 -3.407 1.00 0.00 C ATOM 1397 CG GLN A 90 -14.135 2.531 -1.917 1.00 0.00 C ATOM 1398 CD GLN A 90 -12.709 2.202 -1.506 1.00 0.00 C ATOM 1399 OE1 GLN A 90 -12.451 1.829 -0.366 1.00 0.00 O ATOM 1400 NE2 GLN A 90 -11.779 2.313 -2.442 1.00 0.00 N ATOM 0 H GLN A 90 -15.200 2.739 -5.764 1.00 0.00 H new ATOM 0 HA GLN A 90 -16.329 1.462 -3.375 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -13.923 1.391 -3.713 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -13.857 3.126 -3.952 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -14.357 3.564 -1.650 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -14.826 1.901 -1.356 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -12.033 2.627 -3.379 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -10.809 2.085 -2.226 1.00 0.00 H new ATOM 1409 N LYS A 91 -17.333 3.405 -2.225 1.00 0.00 N ATOM 1410 CA LYS A 91 -18.093 4.488 -1.583 1.00 0.00 C ATOM 1411 C LYS A 91 -19.334 4.866 -2.394 1.00 0.00 C ATOM 1412 O LYS A 91 -20.407 5.076 -1.830 1.00 0.00 O ATOM 1413 CB LYS A 91 -17.214 5.716 -1.312 1.00 0.00 C ATOM 1414 CG LYS A 91 -17.979 6.901 -0.744 1.00 0.00 C ATOM 1415 CD LYS A 91 -17.044 7.918 -0.113 1.00 0.00 C ATOM 1416 CE LYS A 91 -16.448 7.391 1.182 1.00 0.00 C ATOM 1417 NZ LYS A 91 -15.490 8.352 1.785 1.00 0.00 N ATOM 0 H LYS A 91 -17.446 2.502 -1.765 1.00 0.00 H new ATOM 0 HA LYS A 91 -18.433 4.109 -0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -16.422 5.439 -0.616 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.731 6.018 -2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -18.554 7.378 -1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -18.693 6.551 0.001 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -16.244 8.162 -0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.588 8.842 0.084 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -17.249 7.184 1.892 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.940 6.446 0.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -15.315 8.092 2.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.594 8.327 1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -15.889 9.312 1.744 1.00 0.00 H new ATOM 1431 N LEU A 92 -19.198 4.945 -3.709 1.00 0.00 N ATOM 1432 CA LEU A 92 -20.358 5.112 -4.569 1.00 0.00 C ATOM 1433 C LEU A 92 -21.090 3.778 -4.667 1.00 0.00 C ATOM 1434 O LEU A 92 -22.232 3.698 -5.115 1.00 0.00 O ATOM 1435 CB LEU A 92 -19.947 5.645 -5.951 1.00 0.00 C ATOM 1436 CG LEU A 92 -18.976 4.772 -6.755 1.00 0.00 C ATOM 1437 CD1 LEU A 92 -19.727 3.735 -7.579 1.00 0.00 C ATOM 1438 CD2 LEU A 92 -18.106 5.637 -7.654 1.00 0.00 C ATOM 0 H LEU A 92 -18.305 4.897 -4.200 1.00 0.00 H new ATOM 0 HA LEU A 92 -21.033 5.853 -4.141 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -20.850 5.788 -6.545 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -19.494 6.627 -5.818 1.00 0.00 H new ATOM 0 HG LEU A 92 -18.334 4.243 -6.051 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -19.014 3.130 -8.139 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -20.306 3.093 -6.915 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -20.399 4.239 -8.273 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -17.422 5.003 -8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -18.738 6.194 -8.346 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -17.533 6.335 -7.044 1.00 0.00 H new ATOM 1450 N GLY A 93 -20.394 2.735 -4.236 1.00 0.00 N ATOM 1451 CA GLY A 93 -20.977 1.428 -4.097 1.00 0.00 C ATOM 1452 C GLY A 93 -20.537 0.798 -2.795 1.00 0.00 C ATOM 1453 O GLY A 93 -19.351 0.837 -2.458 1.00 0.00 O ATOM 0 H GLY A 93 -19.409 2.782 -3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -22.064 1.501 -4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -20.678 0.797 -4.934 1.00 0.00 H new ATOM 1457 N SER A 94 -21.477 0.243 -2.049 1.00 0.00 N ATOM 1458 CA SER A 94 -21.163 -0.315 -0.741 1.00 0.00 C ATOM 1459 C SER A 94 -22.280 -1.223 -0.249 1.00 0.00 C ATOM 1460 O SER A 94 -22.027 -2.254 0.373 1.00 0.00 O ATOM 1461 CB SER A 94 -20.914 0.813 0.268 1.00 0.00 C ATOM 1462 OG SER A 94 -22.000 1.729 0.297 1.00 0.00 O ATOM 0 H SER A 94 -22.457 0.166 -2.322 1.00 0.00 H new ATOM 0 HA SER A 94 -20.258 -0.915 -0.837 1.00 0.00 H new ATOM 0 HB2 SER A 94 -20.766 0.389 1.261 1.00 0.00 H new ATOM 0 HB3 SER A 94 -19.997 1.341 0.007 1.00 0.00 H new ATOM 0 HG SER A 94 -21.814 2.436 0.950 1.00 0.00 H new ATOM 1468 N THR A 95 -23.515 -0.835 -0.535 1.00 0.00 N ATOM 1469 CA THR A 95 -24.680 -1.592 -0.106 1.00 0.00 C ATOM 1470 C THR A 95 -24.768 -2.939 -0.823 1.00 0.00 C ATOM 1471 O THR A 95 -25.423 -3.865 -0.346 1.00 0.00 O ATOM 1472 CB THR A 95 -25.970 -0.780 -0.330 1.00 0.00 C ATOM 1473 OG1 THR A 95 -25.933 -0.153 -1.619 1.00 0.00 O ATOM 1474 CG2 THR A 95 -26.132 0.281 0.750 1.00 0.00 C ATOM 0 H THR A 95 -23.736 0.007 -1.067 1.00 0.00 H new ATOM 0 HA THR A 95 -24.570 -1.787 0.961 1.00 0.00 H new ATOM 0 HB THR A 95 -26.819 -1.461 -0.280 1.00 0.00 H new ATOM 0 HG1 THR A 95 -26.756 0.360 -1.757 1.00 0.00 H new ATOM 0 HG21 THR A 95 -27.049 0.843 0.573 1.00 0.00 H new ATOM 0 HG22 THR A 95 -26.183 -0.199 1.727 1.00 0.00 H new ATOM 0 HG23 THR A 95 -25.280 0.960 0.724 1.00 0.00 H new ATOM 1482 N ALA A 96 -24.098 -3.041 -1.963 1.00 0.00 N ATOM 1483 CA ALA A 96 -23.999 -4.302 -2.685 1.00 0.00 C ATOM 1484 C ALA A 96 -22.534 -4.684 -2.871 1.00 0.00 C ATOM 1485 O ALA A 96 -21.951 -4.449 -3.932 1.00 0.00 O ATOM 1486 CB ALA A 96 -24.704 -4.209 -4.028 1.00 0.00 C ATOM 0 H ALA A 96 -23.613 -2.262 -2.409 1.00 0.00 H new ATOM 0 HA ALA A 96 -24.491 -5.079 -2.100 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -24.618 -5.162 -4.551 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -25.757 -3.975 -3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -24.243 -3.423 -4.627 1.00 0.00 H new ATOM 1492 N PRO A 97 -21.925 -5.275 -1.829 1.00 0.00 N ATOM 1493 CA PRO A 97 -20.500 -5.634 -1.824 1.00 0.00 C ATOM 1494 C PRO A 97 -20.125 -6.561 -2.978 1.00 0.00 C ATOM 1495 O PRO A 97 -20.562 -7.719 -3.028 1.00 0.00 O ATOM 1496 CB PRO A 97 -20.314 -6.345 -0.479 1.00 0.00 C ATOM 1497 CG PRO A 97 -21.431 -5.851 0.370 1.00 0.00 C ATOM 1498 CD PRO A 97 -22.584 -5.646 -0.566 1.00 0.00 C ATOM 0 HA PRO A 97 -19.862 -4.759 -1.949 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -20.355 -7.428 -0.595 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -19.346 -6.108 -0.037 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -21.681 -6.572 1.149 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -21.162 -4.921 0.871 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -23.182 -6.551 -0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -23.254 -4.861 -0.215 1.00 0.00 H new ATOM 1506 N GLN A 98 -19.341 -6.022 -3.919 1.00 0.00 N ATOM 1507 CA GLN A 98 -18.857 -6.772 -5.079 1.00 0.00 C ATOM 1508 C GLN A 98 -20.036 -7.316 -5.896 1.00 0.00 C ATOM 1509 O GLN A 98 -19.905 -8.303 -6.621 1.00 0.00 O ATOM 1510 CB GLN A 98 -17.925 -7.904 -4.615 1.00 0.00 C ATOM 1511 CG GLN A 98 -17.130 -8.560 -5.731 1.00 0.00 C ATOM 1512 CD GLN A 98 -16.101 -9.536 -5.201 1.00 0.00 C ATOM 1513 OE1 GLN A 98 -16.382 -10.717 -5.010 1.00 0.00 O ATOM 1514 NE2 GLN A 98 -14.900 -9.044 -4.951 1.00 0.00 N ATOM 0 H GLN A 98 -19.025 -5.052 -3.896 1.00 0.00 H new ATOM 0 HA GLN A 98 -18.288 -6.105 -5.727 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -17.230 -7.506 -3.876 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -18.521 -8.666 -4.114 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -17.812 -9.082 -6.402 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -16.630 -7.791 -6.319 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -14.707 -8.057 -5.123 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -14.166 -9.651 -4.586 1.00 0.00 H new ATOM 1523 N VAL A 99 -21.187 -6.639 -5.759 1.00 0.00 N ATOM 1524 CA VAL A 99 -22.458 -7.032 -6.389 1.00 0.00 C ATOM 1525 C VAL A 99 -22.688 -8.547 -6.354 1.00 0.00 C ATOM 1526 O VAL A 99 -23.255 -9.129 -7.281 1.00 0.00 O ATOM 1527 CB VAL A 99 -22.610 -6.485 -7.837 1.00 0.00 C ATOM 1528 CG1 VAL A 99 -22.618 -4.966 -7.829 1.00 0.00 C ATOM 1529 CG2 VAL A 99 -21.525 -7.000 -8.771 1.00 0.00 C ATOM 0 H VAL A 99 -21.262 -5.790 -5.199 1.00 0.00 H new ATOM 0 HA VAL A 99 -23.235 -6.565 -5.783 1.00 0.00 H new ATOM 0 HB VAL A 99 -23.563 -6.851 -8.218 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -22.725 -4.597 -8.849 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -23.452 -4.610 -7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -21.682 -4.599 -7.407 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -21.678 -6.588 -9.768 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -20.548 -6.694 -8.398 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -21.571 -8.088 -8.817 1.00 0.00 H new ATOM 1539 N LEU A 100 -22.260 -9.176 -5.265 1.00 0.00 N ATOM 1540 CA LEU A 100 -22.438 -10.608 -5.086 1.00 0.00 C ATOM 1541 C LEU A 100 -23.140 -10.900 -3.770 1.00 0.00 C ATOM 1542 O LEU A 100 -24.307 -11.298 -3.753 1.00 0.00 O ATOM 1543 CB LEU A 100 -21.096 -11.331 -5.146 1.00 0.00 C ATOM 1544 CG LEU A 100 -20.548 -11.520 -6.556 1.00 0.00 C ATOM 1545 CD1 LEU A 100 -19.094 -11.959 -6.511 1.00 0.00 C ATOM 1546 CD2 LEU A 100 -21.379 -12.545 -7.311 1.00 0.00 C ATOM 0 H LEU A 100 -21.785 -8.712 -4.491 1.00 0.00 H new ATOM 0 HA LEU A 100 -23.063 -10.977 -5.900 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -20.368 -10.772 -4.558 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -21.202 -12.309 -4.676 1.00 0.00 H new ATOM 0 HG LEU A 100 -20.606 -10.565 -7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -18.721 -12.088 -7.527 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -18.501 -11.200 -6.001 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -19.016 -12.904 -5.973 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -20.977 -12.670 -8.316 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -21.345 -13.499 -6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -22.412 -12.201 -7.374 1.00 0.00 H new ATOM 1558 N SER A 101 -22.439 -10.680 -2.671 1.00 0.00 N ATOM 1559 CA SER A 101 -23.002 -10.899 -1.352 1.00 0.00 C ATOM 1560 C SER A 101 -22.331 -9.989 -0.330 1.00 0.00 C ATOM 1561 O SER A 101 -22.889 -8.959 0.051 1.00 0.00 O ATOM 1562 CB SER A 101 -22.852 -12.370 -0.954 1.00 0.00 C ATOM 1563 OG SER A 101 -21.537 -12.837 -1.221 1.00 0.00 O ATOM 0 H SER A 101 -21.474 -10.348 -2.668 1.00 0.00 H new ATOM 0 HA SER A 101 -24.064 -10.655 -1.376 1.00 0.00 H new ATOM 0 HB2 SER A 101 -23.076 -12.488 0.106 1.00 0.00 H new ATOM 0 HB3 SER A 101 -23.575 -12.974 -1.502 1.00 0.00 H new ATOM 0 HG SER A 101 -21.464 -13.778 -0.957 1.00 0.00 H new ATOM 1569 N THR A 102 -21.128 -10.364 0.086 1.00 0.00 N ATOM 1570 CA THR A 102 -20.355 -9.588 1.047 1.00 0.00 C ATOM 1571 C THR A 102 -18.861 -9.772 0.798 1.00 0.00 C ATOM 1572 O THR A 102 -18.215 -8.845 0.264 1.00 0.00 O ATOM 1573 CB THR A 102 -20.690 -9.989 2.501 1.00 0.00 C ATOM 1574 OG1 THR A 102 -20.967 -11.398 2.576 1.00 0.00 O ATOM 1575 CG2 THR A 102 -21.876 -9.196 3.035 1.00 0.00 C ATOM 1576 OXT THR A 102 -18.342 -10.862 1.109 1.00 0.00 O ATOM 0 H THR A 102 -20.661 -11.213 -0.233 1.00 0.00 H new ATOM 0 HA THR A 102 -20.621 -8.540 0.911 1.00 0.00 H new ATOM 0 HB THR A 102 -19.823 -9.759 3.120 1.00 0.00 H new ATOM 0 HG1 THR A 102 -21.176 -11.641 3.502 1.00 0.00 H new ATOM 0 HG21 THR A 102 -22.086 -9.502 4.060 1.00 0.00 H new ATOM 0 HG22 THR A 102 -21.641 -8.132 3.015 1.00 0.00 H new ATOM 0 HG23 THR A 102 -22.751 -9.386 2.413 1.00 0.00 H new TER 1584 THR A 102