USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 656 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 5 ASN : amide:sc= 0.972 K(o=2.1,f=-3.9) USER MOD Set 1.2: A 46 LYS NZ :NH3+ -165:sc= 1.15 (180deg=0) USER MOD Set 2.1: A 1 MET N :NH3+ 168:sc= 0.452 (180deg=0.232) USER MOD Set 2.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -120:sc= -0.332 (180deg=-0.749) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 32:sc= 1.1 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 HIS : no HE2:sc= 0.897 K(o=0.9,f=-7.2!) USER MOD Single : A 48 MET CE :methyl -138:sc=-0.00674 (180deg=-0.445) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 50 MET CE :methyl -174:sc= 0 (180deg=-0.0212) USER MOD Single : A 51 GLN : amide:sc= -1.94 K(o=-1.9,f=-3.9!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot -21:sc= 0.689 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0725) USER MOD Single : A 73 LYS NZ :NH3+ 169:sc=-0.00483 (180deg=-0.123) USER MOD Single : A 75 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.18) USER MOD Single : A 78 GLN : amide:sc= -0.0836 K(o=-0.084,f=-1.3) USER MOD Single : A 80 HIS : no HD1:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -164:sc= 0.368 (180deg=0.285) USER MOD Single : A 87 GLN : amide:sc= -0.0298 K(o=-0.03,f=-1.4) USER MOD Single : A 88 HIS : no HE2:sc= 0.625 K(o=0.62,f=-4.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.480 -1.733 8.523 1.00 -0.46 N ATOM 2 CA MET A 1 -14.127 -2.662 9.584 1.00 0.04 C ATOM 3 C MET A 1 -12.655 -3.053 9.447 1.00 0.62 C ATOM 4 O MET A 1 -11.893 -2.926 10.405 1.00 -0.50 O ATOM 5 CB MET A 1 -15.029 -3.903 9.530 1.00 -0.15 C ATOM 6 CG MET A 1 -16.400 -3.736 10.204 1.00 -0.05 C ATOM 7 SD MET A 1 -17.563 -2.525 9.509 1.00 0.74 S ATOM 8 CE MET A 1 -17.145 -1.016 10.425 1.00 -0.13 C ATOM 0 H1 MET A 1 -15.514 -1.623 8.487 1.00 -0.46 H new ATOM 0 H2 MET A 1 -14.040 -0.809 8.710 1.00 -0.46 H new ATOM 0 H3 MET A 1 -14.139 -2.101 7.612 1.00 -0.46 H new ATOM 0 HA MET A 1 -14.277 -2.181 10.551 1.00 0.04 H new ATOM 0 HB2 MET A 1 -15.184 -4.176 8.486 1.00 -0.15 H new ATOM 0 HB3 MET A 1 -14.507 -4.735 10.003 1.00 -0.15 H new ATOM 0 HG2 MET A 1 -16.892 -4.709 10.201 1.00 -0.05 H new ATOM 0 HG3 MET A 1 -16.227 -3.470 11.247 1.00 -0.05 H new ATOM 0 HE1 MET A 1 -18.020 -0.671 10.976 1.00 -0.13 H new ATOM 0 HE2 MET A 1 -16.336 -1.227 11.124 1.00 -0.13 H new ATOM 0 HE3 MET A 1 -16.827 -0.242 9.726 1.00 -0.13 H new ATOM 18 N PHE A 2 -12.260 -3.525 8.256 1.00 -0.46 N ATOM 19 CA PHE A 2 -10.881 -3.884 7.956 1.00 0.04 C ATOM 20 C PHE A 2 -9.973 -2.686 8.219 1.00 0.62 C ATOM 21 O PHE A 2 -10.117 -1.658 7.565 1.00 -0.50 O ATOM 22 CB PHE A 2 -10.760 -4.337 6.497 1.00 -0.10 C ATOM 23 CG PHE A 2 -11.532 -5.599 6.162 1.00 -0.10 C ATOM 24 CD1 PHE A 2 -11.203 -6.809 6.803 1.00 -0.15 C ATOM 25 CD2 PHE A 2 -12.540 -5.582 5.177 1.00 -0.15 C ATOM 26 CE1 PHE A 2 -11.878 -7.992 6.465 1.00 -0.15 C ATOM 27 CE2 PHE A 2 -13.201 -6.773 4.826 1.00 -0.15 C ATOM 28 CZ PHE A 2 -12.873 -7.976 5.473 1.00 -0.15 C ATOM 0 H PHE A 2 -12.899 -3.667 7.473 1.00 -0.46 H new ATOM 0 HA PHE A 2 -10.575 -4.709 8.599 1.00 0.04 H new ATOM 0 HB2 PHE A 2 -11.108 -3.532 5.850 1.00 -0.10 H new ATOM 0 HB3 PHE A 2 -9.707 -4.499 6.267 1.00 -0.10 H new ATOM 0 HD1 PHE A 2 -10.429 -6.827 7.556 1.00 -0.15 H new ATOM 0 HD2 PHE A 2 -12.805 -4.654 4.692 1.00 -0.15 H new ATOM 0 HE1 PHE A 2 -11.632 -8.916 6.968 1.00 -0.15 H new ATOM 0 HE2 PHE A 2 -13.961 -6.763 4.059 1.00 -0.15 H new ATOM 0 HZ PHE A 2 -13.386 -8.889 5.208 1.00 -0.15 H new ATOM 38 N THR A 3 -9.067 -2.815 9.194 1.00 -0.46 N ATOM 39 CA THR A 3 -8.231 -1.728 9.680 1.00 0.04 C ATOM 40 C THR A 3 -6.906 -1.738 8.917 1.00 0.62 C ATOM 41 O THR A 3 -5.949 -2.396 9.323 1.00 -0.50 O ATOM 42 CB THR A 3 -8.055 -1.870 11.201 1.00 0.17 C ATOM 43 OG1 THR A 3 -9.328 -1.855 11.820 1.00 -0.55 O ATOM 44 CG2 THR A 3 -7.231 -0.719 11.789 1.00 -0.19 C ATOM 0 H THR A 3 -8.896 -3.699 9.673 1.00 -0.46 H new ATOM 0 HA THR A 3 -8.697 -0.759 9.501 1.00 0.04 H new ATOM 0 HB THR A 3 -7.532 -2.808 11.386 1.00 0.17 H new ATOM 0 HG1 THR A 3 -9.221 -1.947 12.790 1.00 -0.55 H new ATOM 0 HG21 THR A 3 -7.130 -0.857 12.866 1.00 -0.19 H new ATOM 0 HG22 THR A 3 -6.242 -0.708 11.330 1.00 -0.19 H new ATOM 0 HG23 THR A 3 -7.734 0.227 11.590 1.00 -0.19 H new ATOM 52 N ILE A 4 -6.863 -1.001 7.803 1.00 -0.46 N ATOM 53 CA ILE A 4 -5.685 -0.846 6.965 1.00 0.04 C ATOM 54 C ILE A 4 -4.746 0.142 7.658 1.00 0.62 C ATOM 55 O ILE A 4 -5.071 1.320 7.792 1.00 -0.50 O ATOM 56 CB ILE A 4 -6.094 -0.381 5.550 1.00 -0.01 C ATOM 57 CG1 ILE A 4 -6.688 -1.521 4.702 1.00 -0.05 C ATOM 58 CG2 ILE A 4 -4.897 0.174 4.764 1.00 -0.09 C ATOM 59 CD1 ILE A 4 -8.012 -2.075 5.225 1.00 -0.09 C ATOM 0 H ILE A 4 -7.671 -0.485 7.456 1.00 -0.46 H new ATOM 0 HA ILE A 4 -5.165 -1.795 6.837 1.00 0.04 H new ATOM 0 HB ILE A 4 -6.843 0.393 5.717 1.00 -0.01 H new ATOM 0 HG12 ILE A 4 -6.836 -1.161 3.684 1.00 -0.05 H new ATOM 0 HG13 ILE A 4 -5.964 -2.334 4.650 1.00 -0.05 H new ATOM 0 HG21 ILE A 4 -5.227 0.490 3.774 1.00 -0.09 H new ATOM 0 HG22 ILE A 4 -4.476 1.027 5.296 1.00 -0.09 H new ATOM 0 HG23 ILE A 4 -4.137 -0.601 4.663 1.00 -0.09 H new ATOM 0 HD11 ILE A 4 -8.357 -2.873 4.568 1.00 -0.09 H new ATOM 0 HD12 ILE A 4 -7.869 -2.470 6.231 1.00 -0.09 H new ATOM 0 HD13 ILE A 4 -8.755 -1.278 5.250 1.00 -0.09 H new ATOM 71 N ASN A 5 -3.573 -0.341 8.080 1.00 -0.46 N ATOM 72 CA ASN A 5 -2.493 0.511 8.555 1.00 0.04 C ATOM 73 C ASN A 5 -1.923 1.265 7.355 1.00 0.62 C ATOM 74 O ASN A 5 -1.601 0.645 6.343 1.00 -0.50 O ATOM 75 CB ASN A 5 -1.406 -0.342 9.220 1.00 -0.09 C ATOM 76 CG ASN A 5 -1.939 -1.110 10.428 1.00 0.68 C ATOM 77 OD1 ASN A 5 -2.067 -2.332 10.383 1.00 -0.47 O ATOM 78 ND2 ASN A 5 -2.251 -0.397 11.512 1.00 -0.87 N ATOM 0 H ASN A 5 -3.351 -1.336 8.099 1.00 -0.46 H new ATOM 0 HA ASN A 5 -2.864 1.219 9.296 1.00 0.04 H new ATOM 0 HB2 ASN A 5 -1.002 -1.046 8.492 1.00 -0.09 H new ATOM 0 HB3 ASN A 5 -0.583 0.300 9.533 1.00 -0.09 H new ATOM 0 HD21 ASN A 5 -2.610 -0.865 12.344 1.00 -0.87 H new ATOM 0 HD22 ASN A 5 -2.130 0.616 11.508 1.00 -0.87 H new ATOM 85 N ALA A 6 -1.818 2.596 7.458 1.00 -0.46 N ATOM 86 CA ALA A 6 -1.330 3.432 6.372 1.00 0.04 C ATOM 87 C ALA A 6 -0.677 4.703 6.908 1.00 0.62 C ATOM 88 O ALA A 6 -0.735 4.993 8.103 1.00 -0.50 O ATOM 89 CB ALA A 6 -2.484 3.770 5.423 1.00 -0.10 C ATOM 0 H ALA A 6 -2.071 3.116 8.298 1.00 -0.46 H new ATOM 0 HA ALA A 6 -0.568 2.880 5.821 1.00 0.04 H new ATOM 0 HB1 ALA A 6 -2.115 4.396 4.611 1.00 -0.10 H new ATOM 0 HB2 ALA A 6 -2.899 2.850 5.012 1.00 -0.10 H new ATOM 0 HB3 ALA A 6 -3.260 4.305 5.970 1.00 -0.10 H new ATOM 95 N GLU A 7 -0.052 5.454 5.997 1.00 -0.46 N ATOM 96 CA GLU A 7 0.626 6.711 6.268 1.00 0.04 C ATOM 97 C GLU A 7 0.584 7.546 4.987 1.00 0.62 C ATOM 98 O GLU A 7 0.538 6.981 3.894 1.00 -0.50 O ATOM 99 CB GLU A 7 2.072 6.407 6.694 1.00 -0.18 C ATOM 100 CG GLU A 7 2.820 7.639 7.217 1.00 -0.40 C ATOM 101 CD GLU A 7 4.263 7.301 7.583 1.00 0.71 C ATOM 102 OE1 GLU A 7 4.439 6.442 8.474 1.00 -0.72 O ATOM 103 OE2 GLU A 7 5.166 7.905 6.965 1.00 -0.72 O ATOM 0 H GLU A 7 -0.006 5.187 5.014 1.00 -0.46 H new ATOM 0 HA GLU A 7 0.145 7.267 7.072 1.00 0.04 H new ATOM 0 HB2 GLU A 7 2.062 5.640 7.469 1.00 -0.18 H new ATOM 0 HB3 GLU A 7 2.615 5.994 5.844 1.00 -0.18 H new ATOM 0 HG2 GLU A 7 2.809 8.422 6.459 1.00 -0.40 H new ATOM 0 HG3 GLU A 7 2.304 8.035 8.092 1.00 -0.40 H new ATOM 110 N VAL A 8 0.625 8.880 5.111 1.00 -0.46 N ATOM 111 CA VAL A 8 0.841 9.776 3.976 1.00 0.04 C ATOM 112 C VAL A 8 2.091 9.354 3.192 1.00 0.62 C ATOM 113 O VAL A 8 3.044 8.837 3.775 1.00 -0.50 O ATOM 114 CB VAL A 8 0.931 11.245 4.433 1.00 -0.01 C ATOM 115 CG1 VAL A 8 -0.430 11.749 4.926 1.00 -0.09 C ATOM 116 CG2 VAL A 8 1.997 11.475 5.516 1.00 -0.09 C ATOM 0 H VAL A 8 0.509 9.364 6.002 1.00 -0.46 H new ATOM 0 HA VAL A 8 -0.018 9.698 3.310 1.00 0.04 H new ATOM 0 HB VAL A 8 1.235 11.816 3.556 1.00 -0.01 H new ATOM 0 HG11 VAL A 8 -0.340 12.788 5.243 1.00 -0.09 H new ATOM 0 HG12 VAL A 8 -1.159 11.678 4.119 1.00 -0.09 H new ATOM 0 HG13 VAL A 8 -0.760 11.140 5.768 1.00 -0.09 H new ATOM 0 HG21 VAL A 8 2.011 12.529 5.795 1.00 -0.09 H new ATOM 0 HG22 VAL A 8 1.762 10.871 6.392 1.00 -0.09 H new ATOM 0 HG23 VAL A 8 2.975 11.189 5.130 1.00 -0.09 H new ATOM 126 N ARG A 9 2.070 9.534 1.864 1.00 -0.46 N ATOM 127 CA ARG A 9 3.103 9.004 0.984 1.00 0.04 C ATOM 128 C ARG A 9 4.416 9.780 1.126 1.00 0.62 C ATOM 129 O ARG A 9 4.698 10.692 0.349 1.00 -0.50 O ATOM 130 CB ARG A 9 2.595 8.956 -0.465 1.00 -0.08 C ATOM 131 CG ARG A 9 3.602 8.242 -1.382 1.00 -0.10 C ATOM 132 CD ARG A 9 3.031 8.014 -2.781 1.00 -0.23 C ATOM 133 NE ARG A 9 2.859 9.285 -3.496 1.00 -0.32 N ATOM 134 CZ ARG A 9 2.349 9.407 -4.732 1.00 0.76 C ATOM 135 NH1 ARG A 9 1.902 8.331 -5.396 1.00 -0.62 N ATOM 136 NH2 ARG A 9 2.290 10.616 -5.305 1.00 -0.62 N ATOM 0 H ARG A 9 1.337 10.050 1.378 1.00 -0.46 H new ATOM 0 HA ARG A 9 3.326 7.980 1.285 1.00 0.04 H new ATOM 0 HB2 ARG A 9 1.636 8.439 -0.500 1.00 -0.08 H new ATOM 0 HB3 ARG A 9 2.424 9.970 -0.827 1.00 -0.08 H new ATOM 0 HG2 ARG A 9 4.513 8.836 -1.453 1.00 -0.10 H new ATOM 0 HG3 ARG A 9 3.879 7.284 -0.942 1.00 -0.10 H new ATOM 0 HD2 ARG A 9 3.697 7.362 -3.347 1.00 -0.23 H new ATOM 0 HD3 ARG A 9 2.071 7.502 -2.706 1.00 -0.23 H new ATOM 0 HE ARG A 9 3.148 10.138 -3.018 1.00 -0.32 H new ATOM 0 HH11 ARG A 9 1.948 7.409 -4.962 1.00 -0.62 H new ATOM 0 HH12 ARG A 9 1.516 8.435 -6.335 1.00 -0.62 H new ATOM 0 HH21 ARG A 9 2.631 11.436 -4.803 1.00 -0.62 H new ATOM 0 HH22 ARG A 9 1.904 10.717 -6.244 1.00 -0.62 H new ATOM 386 N LYS A 25 5.702 -3.134 -0.004 1.00 -0.46 N ATOM 387 CA LYS A 25 4.810 -1.977 0.096 1.00 0.04 C ATOM 388 C LYS A 25 4.397 -1.505 -1.300 1.00 0.62 C ATOM 389 O LYS A 25 5.050 -1.828 -2.291 1.00 -0.50 O ATOM 390 CB LYS A 25 5.390 -0.813 0.921 1.00 -0.10 C ATOM 391 CG LYS A 25 5.840 -1.197 2.336 1.00 -0.16 C ATOM 392 CD LYS A 25 6.688 -0.087 2.975 1.00 -0.18 C ATOM 393 CE LYS A 25 5.952 1.257 3.039 1.00 -0.04 C ATOM 394 NZ LYS A 25 6.744 2.271 3.757 1.00 -0.14 N ATOM 0 HA LYS A 25 3.930 -2.314 0.643 1.00 0.04 H new ATOM 0 HB2 LYS A 25 6.241 -0.393 0.385 1.00 -0.10 H new ATOM 0 HB3 LYS A 25 4.639 -0.026 0.993 1.00 -0.10 H new ATOM 0 HG2 LYS A 25 4.966 -1.392 2.957 1.00 -0.16 H new ATOM 0 HG3 LYS A 25 6.417 -2.121 2.298 1.00 -0.16 H new ATOM 0 HD2 LYS A 25 6.974 -0.388 3.983 1.00 -0.18 H new ATOM 0 HD3 LYS A 25 7.609 0.035 2.405 1.00 -0.18 H new ATOM 0 HE2 LYS A 25 5.741 1.607 2.028 1.00 -0.04 H new ATOM 0 HE3 LYS A 25 4.992 1.124 3.537 1.00 -0.04 H new ATOM 0 HZ1 LYS A 25 6.218 3.168 3.783 1.00 -0.14 H new ATOM 0 HZ2 LYS A 25 6.924 1.947 4.729 1.00 -0.14 H new ATOM 0 HZ3 LYS A 25 7.650 2.415 3.267 1.00 -0.14 H new ATOM 408 N PHE A 26 3.300 -0.746 -1.380 1.00 -0.46 N ATOM 409 CA PHE A 26 2.787 -0.236 -2.643 1.00 0.04 C ATOM 410 C PHE A 26 1.943 1.019 -2.377 1.00 0.62 C ATOM 411 O PHE A 26 1.367 1.142 -1.294 1.00 -0.50 O ATOM 412 CB PHE A 26 1.989 -1.334 -3.368 1.00 -0.10 C ATOM 413 CG PHE A 26 0.575 -1.517 -2.854 1.00 -0.10 C ATOM 414 CD1 PHE A 26 0.357 -2.001 -1.549 1.00 -0.15 C ATOM 415 CD2 PHE A 26 -0.504 -1.007 -3.600 1.00 -0.15 C ATOM 416 CE1 PHE A 26 -0.918 -1.901 -0.968 1.00 -0.15 C ATOM 417 CE2 PHE A 26 -1.780 -0.919 -3.023 1.00 -0.15 C ATOM 418 CZ PHE A 26 -1.984 -1.345 -1.700 1.00 -0.15 C ATOM 0 H PHE A 26 2.747 -0.471 -0.568 1.00 -0.46 H new ATOM 0 HA PHE A 26 3.610 0.048 -3.299 1.00 0.04 H new ATOM 0 HB2 PHE A 26 1.949 -1.097 -4.431 1.00 -0.10 H new ATOM 0 HB3 PHE A 26 2.524 -2.279 -3.272 1.00 -0.10 H new ATOM 0 HD1 PHE A 26 1.169 -2.449 -0.996 1.00 -0.15 H new ATOM 0 HD2 PHE A 26 -0.350 -0.683 -4.619 1.00 -0.15 H new ATOM 0 HE1 PHE A 26 -1.080 -2.251 0.041 1.00 -0.15 H new ATOM 0 HE2 PHE A 26 -2.606 -0.524 -3.596 1.00 -0.15 H new ATOM 0 HZ PHE A 26 -2.958 -1.246 -1.245 1.00 -0.15 H new ATOM 428 N PRO A 27 1.854 1.951 -3.341 1.00 -0.23 N ATOM 429 CA PRO A 27 1.070 3.165 -3.197 1.00 0.04 C ATOM 430 C PRO A 27 -0.409 2.883 -3.477 1.00 0.53 C ATOM 431 O PRO A 27 -0.742 2.023 -4.291 1.00 -0.50 O ATOM 432 CB PRO A 27 1.650 4.130 -4.234 1.00 -0.12 C ATOM 433 CG PRO A 27 2.069 3.192 -5.365 1.00 -0.12 C ATOM 434 CD PRO A 27 2.550 1.946 -4.620 1.00 -0.01 C ATOM 0 HA PRO A 27 1.119 3.575 -2.188 1.00 0.04 H new ATOM 0 HB2 PRO A 27 0.912 4.860 -4.566 1.00 -0.12 H new ATOM 0 HB3 PRO A 27 2.497 4.690 -3.837 1.00 -0.12 H new ATOM 0 HG2 PRO A 27 1.237 2.967 -6.032 1.00 -0.12 H new ATOM 0 HG3 PRO A 27 2.859 3.626 -5.977 1.00 -0.12 H new ATOM 0 HD2 PRO A 27 2.323 1.042 -5.185 1.00 -0.01 H new ATOM 0 HD3 PRO A 27 3.630 1.969 -4.477 1.00 -0.01 H new ATOM 442 N ALA A 28 -1.294 3.639 -2.822 1.00 -0.46 N ATOM 443 CA ALA A 28 -2.727 3.643 -3.088 1.00 0.04 C ATOM 444 C ALA A 28 -3.246 5.072 -2.947 1.00 0.62 C ATOM 445 O ALA A 28 -2.537 5.929 -2.420 1.00 -0.50 O ATOM 446 CB ALA A 28 -3.438 2.704 -2.119 1.00 -0.10 C ATOM 0 H ALA A 28 -1.023 4.279 -2.075 1.00 -0.46 H new ATOM 0 HA ALA A 28 -2.924 3.290 -4.100 1.00 0.04 H new ATOM 0 HB1 ALA A 28 -4.509 2.712 -2.324 1.00 -0.10 H new ATOM 0 HB2 ALA A 28 -3.052 1.692 -2.244 1.00 -0.10 H new ATOM 0 HB3 ALA A 28 -3.262 3.036 -1.096 1.00 -0.10 H new ATOM 452 N ILE A 29 -4.467 5.334 -3.436 1.00 -0.46 N ATOM 453 CA ILE A 29 -5.047 6.673 -3.478 1.00 0.04 C ATOM 454 C ILE A 29 -6.464 6.638 -2.900 1.00 0.62 C ATOM 455 O ILE A 29 -7.233 5.723 -3.192 1.00 -0.50 O ATOM 456 CB ILE A 29 -5.010 7.222 -4.920 1.00 -0.01 C ATOM 457 CG1 ILE A 29 -3.551 7.405 -5.387 1.00 -0.05 C ATOM 458 CG2 ILE A 29 -5.753 8.560 -5.042 1.00 -0.09 C ATOM 459 CD1 ILE A 29 -3.433 7.792 -6.864 1.00 -0.09 C ATOM 0 H ILE A 29 -5.080 4.612 -3.815 1.00 -0.46 H new ATOM 0 HA ILE A 29 -4.459 7.354 -2.863 1.00 0.04 H new ATOM 0 HB ILE A 29 -5.513 6.493 -5.555 1.00 -0.01 H new ATOM 0 HG12 ILE A 29 -3.075 8.174 -4.778 1.00 -0.05 H new ATOM 0 HG13 ILE A 29 -3.003 6.478 -5.216 1.00 -0.05 H new ATOM 0 HG21 ILE A 29 -5.703 8.911 -6.073 1.00 -0.09 H new ATOM 0 HG22 ILE A 29 -6.796 8.425 -4.755 1.00 -0.09 H new ATOM 0 HG23 ILE A 29 -5.289 9.295 -4.385 1.00 -0.09 H new ATOM 0 HD11 ILE A 29 -2.381 7.905 -7.128 1.00 -0.09 H new ATOM 0 HD12 ILE A 29 -3.880 7.013 -7.481 1.00 -0.09 H new ATOM 0 HD13 ILE A 29 -3.953 8.734 -7.036 1.00 -0.09 H new ATOM 471 N ILE A 30 -6.797 7.656 -2.094 1.00 -0.46 N ATOM 472 CA ILE A 30 -8.136 7.893 -1.571 1.00 0.04 C ATOM 473 C ILE A 30 -8.799 8.983 -2.414 1.00 0.62 C ATOM 474 O ILE A 30 -8.201 10.030 -2.653 1.00 -0.50 O ATOM 475 CB ILE A 30 -8.093 8.290 -0.081 1.00 -0.01 C ATOM 476 CG1 ILE A 30 -7.343 7.244 0.765 1.00 -0.05 C ATOM 477 CG2 ILE A 30 -9.530 8.465 0.438 1.00 -0.09 C ATOM 478 CD1 ILE A 30 -7.251 7.642 2.244 1.00 -0.09 C ATOM 0 H ILE A 30 -6.119 8.352 -1.784 1.00 -0.46 H new ATOM 0 HA ILE A 30 -8.720 6.975 -1.634 1.00 0.04 H new ATOM 0 HB ILE A 30 -7.550 9.231 0.009 1.00 -0.01 H new ATOM 0 HG12 ILE A 30 -7.850 6.283 0.682 1.00 -0.05 H new ATOM 0 HG13 ILE A 30 -6.338 7.110 0.365 1.00 -0.05 H new ATOM 0 HG21 ILE A 30 -9.505 8.746 1.491 1.00 -0.09 H new ATOM 0 HG22 ILE A 30 -10.031 9.246 -0.134 1.00 -0.09 H new ATOM 0 HG23 ILE A 30 -10.074 7.527 0.325 1.00 -0.09 H new ATOM 0 HD11 ILE A 30 -6.713 6.871 2.796 1.00 -0.09 H new ATOM 0 HD12 ILE A 30 -6.720 8.589 2.333 1.00 -0.09 H new ATOM 0 HD13 ILE A 30 -8.255 7.749 2.655 1.00 -0.09 H new ATOM 490 N TYR A 31 -10.044 8.724 -2.831 1.00 -0.46 N ATOM 491 CA TYR A 31 -10.923 9.635 -3.549 1.00 0.04 C ATOM 492 C TYR A 31 -12.136 9.951 -2.664 1.00 0.62 C ATOM 493 O TYR A 31 -12.305 9.367 -1.593 1.00 -0.50 O ATOM 494 CB TYR A 31 -11.364 8.981 -4.868 1.00 -0.10 C ATOM 495 CG TYR A 31 -10.250 8.679 -5.857 1.00 -0.03 C ATOM 496 CD1 TYR A 31 -9.410 7.565 -5.669 1.00 0.00 C ATOM 497 CD2 TYR A 31 -10.121 9.448 -7.032 1.00 0.00 C ATOM 498 CE1 TYR A 31 -8.472 7.210 -6.648 1.00 -0.26 C ATOM 499 CE2 TYR A 31 -9.183 9.086 -8.017 1.00 -0.26 C ATOM 500 CZ TYR A 31 -8.379 7.948 -7.837 1.00 0.46 C ATOM 501 OH TYR A 31 -7.553 7.527 -8.837 1.00 -0.53 O ATOM 0 H TYR A 31 -10.484 7.819 -2.663 1.00 -0.46 H new ATOM 0 HA TYR A 31 -10.403 10.564 -3.782 1.00 0.04 H new ATOM 0 HB2 TYR A 31 -11.881 8.050 -4.636 1.00 -0.10 H new ATOM 0 HB3 TYR A 31 -12.088 9.636 -5.353 1.00 -0.10 H new ATOM 0 HD1 TYR A 31 -9.489 6.980 -4.764 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -10.744 10.318 -7.177 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -7.819 6.365 -6.486 1.00 -0.26 H new ATOM 0 HE2 TYR A 31 -9.081 9.683 -8.911 1.00 -0.26 H new ATOM 0 HH TYR A 31 -7.508 6.548 -8.834 1.00 -0.53 H new ATOM 511 N GLY A 32 -12.996 10.874 -3.109 1.00 -0.46 N ATOM 512 CA GLY A 32 -14.200 11.224 -2.372 1.00 0.04 C ATOM 513 C GLY A 32 -15.031 12.249 -3.134 1.00 0.62 C ATOM 514 O GLY A 32 -16.093 11.919 -3.655 1.00 -0.50 O ATOM 0 H GLY A 32 -12.873 11.390 -3.980 1.00 -0.46 H new ATOM 0 HA2 GLY A 32 -14.795 10.328 -2.195 1.00 0.04 H new ATOM 0 HA3 GLY A 32 -13.929 11.625 -1.395 1.00 0.04 H new ATOM 518 N GLY A 33 -14.554 13.499 -3.167 1.00 -0.46 N ATOM 519 CA GLY A 33 -15.289 14.633 -3.711 1.00 0.04 C ATOM 520 C GLY A 33 -15.016 15.899 -2.899 1.00 0.62 C ATOM 521 O GLY A 33 -14.948 16.987 -3.467 1.00 -0.50 O ATOM 0 H GLY A 33 -13.632 13.748 -2.810 1.00 -0.46 H new ATOM 0 HA2 GLY A 33 -15.001 14.793 -4.750 1.00 0.04 H new ATOM 0 HA3 GLY A 33 -16.357 14.416 -3.706 1.00 0.04 H new ATOM 525 N LYS A 34 -14.856 15.748 -1.577 1.00 -0.46 N ATOM 526 CA LYS A 34 -14.541 16.821 -0.637 1.00 0.04 C ATOM 527 C LYS A 34 -13.347 17.649 -1.121 1.00 0.62 C ATOM 528 O LYS A 34 -13.396 18.878 -1.091 1.00 -0.50 O ATOM 529 CB LYS A 34 -14.256 16.197 0.741 1.00 -0.10 C ATOM 530 CG LYS A 34 -14.061 17.223 1.868 1.00 -0.16 C ATOM 531 CD LYS A 34 -15.322 17.454 2.714 1.00 -0.18 C ATOM 532 CE LYS A 34 -16.495 18.019 1.906 1.00 -0.04 C ATOM 533 NZ LYS A 34 -17.626 18.376 2.779 1.00 -0.14 N ATOM 0 H LYS A 34 -14.947 14.840 -1.121 1.00 -0.46 H new ATOM 0 HA LYS A 34 -15.390 17.500 -0.564 1.00 0.04 H new ATOM 0 HB2 LYS A 34 -15.081 15.536 1.006 1.00 -0.10 H new ATOM 0 HB3 LYS A 34 -13.362 15.578 0.669 1.00 -0.10 H new ATOM 0 HG2 LYS A 34 -13.254 16.887 2.519 1.00 -0.16 H new ATOM 0 HG3 LYS A 34 -13.746 18.172 1.434 1.00 -0.16 H new ATOM 0 HD2 LYS A 34 -15.624 16.511 3.170 1.00 -0.18 H new ATOM 0 HD3 LYS A 34 -15.086 18.140 3.527 1.00 -0.18 H new ATOM 0 HE2 LYS A 34 -16.168 18.900 1.354 1.00 -0.04 H new ATOM 0 HE3 LYS A 34 -16.820 17.284 1.170 1.00 -0.04 H new ATOM 0 HZ1 LYS A 34 -18.404 18.755 2.202 1.00 -0.14 H new ATOM 0 HZ2 LYS A 34 -17.953 17.530 3.287 1.00 -0.14 H new ATOM 0 HZ3 LYS A 34 -17.321 19.096 3.465 1.00 -0.14 H new ATOM 547 N GLU A 35 -12.287 16.964 -1.562 1.00 -0.46 N ATOM 548 CA GLU A 35 -11.058 17.560 -2.060 1.00 0.04 C ATOM 549 C GLU A 35 -10.497 16.641 -3.149 1.00 0.62 C ATOM 550 O GLU A 35 -10.947 15.502 -3.290 1.00 -0.50 O ATOM 551 CB GLU A 35 -10.089 17.731 -0.879 1.00 -0.18 C ATOM 552 CG GLU A 35 -8.910 18.668 -1.171 1.00 -0.40 C ATOM 553 CD GLU A 35 -8.069 18.901 0.081 1.00 0.71 C ATOM 554 OE1 GLU A 35 -8.612 19.517 1.024 1.00 -0.72 O ATOM 555 OE2 GLU A 35 -6.902 18.452 0.078 1.00 -0.72 O ATOM 0 H GLU A 35 -12.268 15.944 -1.580 1.00 -0.46 H new ATOM 0 HA GLU A 35 -11.224 18.544 -2.498 1.00 0.04 H new ATOM 0 HB2 GLU A 35 -10.642 18.115 -0.021 1.00 -0.18 H new ATOM 0 HB3 GLU A 35 -9.701 16.753 -0.596 1.00 -0.18 H new ATOM 0 HG2 GLU A 35 -8.287 18.240 -1.956 1.00 -0.40 H new ATOM 0 HG3 GLU A 35 -9.283 19.622 -1.545 1.00 -0.40 H new ATOM 562 N ALA A 36 -9.512 17.131 -3.910 1.00 -0.46 N ATOM 563 CA ALA A 36 -8.757 16.336 -4.869 1.00 0.04 C ATOM 564 C ALA A 36 -8.168 15.096 -4.179 1.00 0.62 C ATOM 565 O ALA A 36 -7.840 15.160 -2.994 1.00 -0.50 O ATOM 566 CB ALA A 36 -7.645 17.203 -5.469 1.00 -0.10 C ATOM 0 H ALA A 36 -9.217 18.107 -3.872 1.00 -0.46 H new ATOM 0 HA ALA A 36 -9.416 15.996 -5.668 1.00 0.04 H new ATOM 0 HB1 ALA A 36 -7.074 16.616 -6.188 1.00 -0.10 H new ATOM 0 HB2 ALA A 36 -8.086 18.064 -5.972 1.00 -0.10 H new ATOM 0 HB3 ALA A 36 -6.983 17.547 -4.674 1.00 -0.10 H new ATOM 572 N PRO A 37 -8.047 13.961 -4.886 1.00 -0.23 N ATOM 573 CA PRO A 37 -7.588 12.710 -4.302 1.00 0.04 C ATOM 574 C PRO A 37 -6.129 12.812 -3.851 1.00 0.53 C ATOM 575 O PRO A 37 -5.377 13.644 -4.359 1.00 -0.50 O ATOM 576 CB PRO A 37 -7.785 11.658 -5.396 1.00 -0.12 C ATOM 577 CG PRO A 37 -7.692 12.465 -6.688 1.00 -0.12 C ATOM 578 CD PRO A 37 -8.348 13.787 -6.299 1.00 -0.01 C ATOM 0 HA PRO A 37 -8.145 12.448 -3.403 1.00 0.04 H new ATOM 0 HB2 PRO A 37 -7.019 10.884 -5.351 1.00 -0.12 H new ATOM 0 HB3 PRO A 37 -8.749 11.158 -5.303 1.00 -0.12 H new ATOM 0 HG2 PRO A 37 -6.659 12.603 -7.007 1.00 -0.12 H new ATOM 0 HG3 PRO A 37 -8.217 11.978 -7.510 1.00 -0.12 H new ATOM 0 HD2 PRO A 37 -7.952 14.612 -6.891 1.00 -0.01 H new ATOM 0 HD3 PRO A 37 -9.424 13.759 -6.472 1.00 -0.01 H new ATOM 586 N LEU A 38 -5.744 11.975 -2.878 1.00 -0.46 N ATOM 587 CA LEU A 38 -4.434 12.022 -2.238 1.00 0.04 C ATOM 588 C LEU A 38 -3.879 10.619 -2.000 1.00 0.62 C ATOM 589 O LEU A 38 -4.638 9.657 -1.898 1.00 -0.50 O ATOM 590 CB LEU A 38 -4.445 12.915 -0.982 1.00 -0.06 C ATOM 591 CG LEU A 38 -5.399 12.591 0.188 1.00 -0.01 C ATOM 592 CD1 LEU A 38 -6.886 12.681 -0.178 1.00 -0.11 C ATOM 593 CD2 LEU A 38 -5.100 11.265 0.897 1.00 -0.11 C ATOM 0 H LEU A 38 -6.347 11.238 -2.512 1.00 -0.46 H new ATOM 0 HA LEU A 38 -3.735 12.501 -2.924 1.00 0.04 H new ATOM 0 HB2 LEU A 38 -3.431 12.923 -0.581 1.00 -0.06 H new ATOM 0 HB3 LEU A 38 -4.666 13.931 -1.309 1.00 -0.06 H new ATOM 0 HG LEU A 38 -5.190 13.388 0.902 1.00 -0.01 H new ATOM 0 HD11 LEU A 38 -7.491 12.440 0.696 1.00 -0.11 H new ATOM 0 HD12 LEU A 38 -7.118 13.692 -0.512 1.00 -0.11 H new ATOM 0 HD13 LEU A 38 -7.107 11.975 -0.979 1.00 -0.11 H new ATOM 0 HD21 LEU A 38 -5.816 11.115 1.705 1.00 -0.11 H new ATOM 0 HD22 LEU A 38 -5.181 10.445 0.184 1.00 -0.11 H new ATOM 0 HD23 LEU A 38 -4.090 11.291 1.307 1.00 -0.11 H new ATOM 605 N ALA A 39 -2.543 10.514 -1.968 1.00 -0.46 N ATOM 606 CA ALA A 39 -1.815 9.253 -1.991 1.00 0.04 C ATOM 607 C ALA A 39 -1.318 8.856 -0.602 1.00 0.62 C ATOM 608 O ALA A 39 -1.012 9.713 0.228 1.00 -0.50 O ATOM 609 CB ALA A 39 -0.646 9.362 -2.972 1.00 -0.10 C ATOM 0 H ALA A 39 -1.930 11.328 -1.924 1.00 -0.46 H new ATOM 0 HA ALA A 39 -2.497 8.469 -2.319 1.00 0.04 H new ATOM 0 HB1 ALA A 39 -0.099 8.420 -2.992 1.00 -0.10 H new ATOM 0 HB2 ALA A 39 -1.027 9.581 -3.969 1.00 -0.10 H new ATOM 0 HB3 ALA A 39 0.022 10.163 -2.655 1.00 -0.10 H new ATOM 615 N ILE A 40 -1.229 7.541 -0.372 1.00 -0.46 N ATOM 616 CA ILE A 40 -0.803 6.923 0.876 1.00 0.04 C ATOM 617 C ILE A 40 0.038 5.679 0.570 1.00 0.62 C ATOM 618 O ILE A 40 -0.034 5.140 -0.535 1.00 -0.50 O ATOM 619 CB ILE A 40 -2.033 6.555 1.731 1.00 -0.01 C ATOM 620 CG1 ILE A 40 -3.057 5.740 0.916 1.00 -0.05 C ATOM 621 CG2 ILE A 40 -2.686 7.813 2.322 1.00 -0.09 C ATOM 622 CD1 ILE A 40 -4.121 5.087 1.798 1.00 -0.09 C ATOM 0 H ILE A 40 -1.464 6.853 -1.087 1.00 -0.46 H new ATOM 0 HA ILE A 40 -0.194 7.628 1.442 1.00 0.04 H new ATOM 0 HB ILE A 40 -1.688 5.930 2.555 1.00 -0.01 H new ATOM 0 HG12 ILE A 40 -3.542 6.393 0.191 1.00 -0.05 H new ATOM 0 HG13 ILE A 40 -2.535 4.968 0.351 1.00 -0.05 H new ATOM 0 HG21 ILE A 40 -3.551 7.527 2.921 1.00 -0.09 H new ATOM 0 HG22 ILE A 40 -1.966 8.335 2.952 1.00 -0.09 H new ATOM 0 HG23 ILE A 40 -3.006 8.471 1.514 1.00 -0.09 H new ATOM 0 HD11 ILE A 40 -4.816 4.526 1.174 1.00 -0.09 H new ATOM 0 HD12 ILE A 40 -3.642 4.411 2.506 1.00 -0.09 H new ATOM 0 HD13 ILE A 40 -4.665 5.858 2.344 1.00 -0.09 H new ATOM 634 N GLU A 41 0.810 5.225 1.565 1.00 -0.46 N ATOM 635 CA GLU A 41 1.561 3.973 1.542 1.00 0.04 C ATOM 636 C GLU A 41 0.904 2.967 2.481 1.00 0.62 C ATOM 637 O GLU A 41 0.439 3.337 3.558 1.00 -0.50 O ATOM 638 CB GLU A 41 3.009 4.210 1.994 1.00 -0.18 C ATOM 639 CG GLU A 41 3.844 4.881 0.900 1.00 -0.40 C ATOM 640 CD GLU A 41 3.995 4.011 -0.347 1.00 0.71 C ATOM 641 OE1 GLU A 41 4.089 2.775 -0.175 1.00 -0.72 O ATOM 642 OE2 GLU A 41 4.014 4.597 -1.451 1.00 -0.72 O ATOM 0 H GLU A 41 0.930 5.741 2.437 1.00 -0.46 H new ATOM 0 HA GLU A 41 1.563 3.586 0.523 1.00 0.04 H new ATOM 0 HB2 GLU A 41 3.013 4.833 2.888 1.00 -0.18 H new ATOM 0 HB3 GLU A 41 3.465 3.258 2.267 1.00 -0.18 H new ATOM 0 HG2 GLU A 41 3.379 5.827 0.623 1.00 -0.40 H new ATOM 0 HG3 GLU A 41 4.832 5.115 1.296 1.00 -0.40 H new ATOM 649 N LEU A 42 0.891 1.696 2.064 1.00 -0.46 N ATOM 650 CA LEU A 42 0.422 0.567 2.853 1.00 0.04 C ATOM 651 C LEU A 42 1.177 -0.695 2.430 1.00 0.62 C ATOM 652 O LEU A 42 1.649 -0.800 1.296 1.00 -0.50 O ATOM 653 CB LEU A 42 -1.105 0.381 2.766 1.00 -0.06 C ATOM 654 CG LEU A 42 -1.745 0.779 1.423 1.00 -0.01 C ATOM 655 CD1 LEU A 42 -3.097 0.076 1.270 1.00 -0.11 C ATOM 656 CD2 LEU A 42 -1.975 2.296 1.333 1.00 -0.11 C ATOM 0 H LEU A 42 1.219 1.423 1.137 1.00 -0.46 H new ATOM 0 HA LEU A 42 0.632 0.770 3.903 1.00 0.04 H new ATOM 0 HB2 LEU A 42 -1.338 -0.665 2.964 1.00 -0.06 H new ATOM 0 HB3 LEU A 42 -1.571 0.967 3.558 1.00 -0.06 H new ATOM 0 HG LEU A 42 -1.060 0.480 0.630 1.00 -0.01 H new ATOM 0 HD11 LEU A 42 -3.549 0.359 0.319 1.00 -0.11 H new ATOM 0 HD12 LEU A 42 -2.951 -1.004 1.295 1.00 -0.11 H new ATOM 0 HD13 LEU A 42 -3.755 0.372 2.087 1.00 -0.11 H new ATOM 0 HD21 LEU A 42 -2.428 2.539 0.372 1.00 -0.11 H new ATOM 0 HD22 LEU A 42 -2.640 2.612 2.137 1.00 -0.11 H new ATOM 0 HD23 LEU A 42 -1.021 2.815 1.426 1.00 -0.11 H new ATOM 668 N ASP A 43 1.310 -1.635 3.372 1.00 -0.46 N ATOM 669 CA ASP A 43 2.111 -2.840 3.224 1.00 0.04 C ATOM 670 C ASP A 43 1.389 -3.877 2.369 1.00 0.62 C ATOM 671 O ASP A 43 0.177 -4.048 2.487 1.00 -0.50 O ATOM 672 CB ASP A 43 2.436 -3.419 4.606 1.00 -0.40 C ATOM 673 CG ASP A 43 3.208 -2.423 5.465 1.00 0.71 C ATOM 674 OD1 ASP A 43 4.454 -2.420 5.356 1.00 -0.72 O ATOM 675 OD2 ASP A 43 2.536 -1.671 6.204 1.00 -0.72 O ATOM 0 H ASP A 43 0.849 -1.571 4.279 1.00 -0.46 H new ATOM 0 HA ASP A 43 3.040 -2.578 2.717 1.00 0.04 H new ATOM 0 HB2 ASP A 43 1.511 -3.696 5.112 1.00 -0.40 H new ATOM 0 HB3 ASP A 43 3.022 -4.331 4.490 1.00 -0.40 H new ATOM 680 N HIS A 44 2.153 -4.585 1.530 1.00 -0.46 N ATOM 681 CA HIS A 44 1.663 -5.664 0.688 1.00 0.04 C ATOM 682 C HIS A 44 1.743 -6.982 1.471 1.00 0.62 C ATOM 683 O HIS A 44 2.571 -7.839 1.168 1.00 -0.50 O ATOM 684 CB HIS A 44 2.485 -5.680 -0.611 1.00 -0.10 C ATOM 685 CG HIS A 44 1.973 -6.656 -1.642 1.00 -0.03 C ATOM 686 ND1 HIS A 44 2.144 -8.020 -1.617 1.00 -0.15 N ATOM 687 CD2 HIS A 44 1.251 -6.348 -2.762 1.00 0.20 C ATOM 688 CE1 HIS A 44 1.534 -8.525 -2.702 1.00 0.24 C ATOM 689 NE2 HIS A 44 0.979 -7.545 -3.433 1.00 -0.50 N ATOM 0 H HIS A 44 3.153 -4.414 1.420 1.00 -0.46 H new ATOM 0 HA HIS A 44 0.618 -5.521 0.412 1.00 0.04 H new ATOM 0 HB2 HIS A 44 2.487 -4.679 -1.041 1.00 -0.10 H new ATOM 0 HB3 HIS A 44 3.520 -5.927 -0.373 1.00 -0.10 H new ATOM 0 HD1 HIS A 44 2.643 -8.552 -0.904 1.00 -0.15 H new ATOM 0 HD2 HIS A 44 0.946 -5.360 -3.072 1.00 0.20 H new ATOM 0 HE1 HIS A 44 1.495 -9.575 -2.952 1.00 0.24 H new ATOM 697 N ASP A 45 0.885 -7.134 2.488 1.00 -0.46 N ATOM 698 CA ASP A 45 0.846 -8.322 3.334 1.00 0.04 C ATOM 699 C ASP A 45 -0.526 -8.457 4.001 1.00 0.62 C ATOM 700 O ASP A 45 -1.364 -9.226 3.531 1.00 -0.50 O ATOM 701 CB ASP A 45 1.991 -8.274 4.357 1.00 -0.40 C ATOM 702 CG ASP A 45 1.905 -9.430 5.351 1.00 0.71 C ATOM 703 OD1 ASP A 45 2.112 -10.579 4.905 1.00 -0.72 O ATOM 704 OD2 ASP A 45 1.616 -9.142 6.534 1.00 -0.72 O ATOM 0 H ASP A 45 0.195 -6.428 2.744 1.00 -0.46 H new ATOM 0 HA ASP A 45 0.991 -9.212 2.721 1.00 0.04 H new ATOM 0 HB2 ASP A 45 2.947 -8.312 3.836 1.00 -0.40 H new ATOM 0 HB3 ASP A 45 1.959 -7.327 4.896 1.00 -0.40 H new ATOM 709 N LYS A 46 -0.753 -7.714 5.092 1.00 -0.46 N ATOM 710 CA LYS A 46 -1.971 -7.785 5.894 1.00 0.04 C ATOM 711 C LYS A 46 -3.204 -7.527 5.030 1.00 0.62 C ATOM 712 O LYS A 46 -4.217 -8.215 5.159 1.00 -0.50 O ATOM 713 CB LYS A 46 -1.915 -6.755 7.029 1.00 -0.10 C ATOM 714 CG LYS A 46 -0.784 -7.038 8.028 1.00 -0.16 C ATOM 715 CD LYS A 46 -0.710 -5.973 9.133 1.00 -0.18 C ATOM 716 CE LYS A 46 -1.934 -5.993 10.057 1.00 -0.04 C ATOM 717 NZ LYS A 46 -1.782 -5.047 11.176 1.00 -0.14 N ATOM 0 H LYS A 46 -0.079 -7.035 5.445 1.00 -0.46 H new ATOM 0 HA LYS A 46 -2.043 -8.787 6.317 1.00 0.04 H new ATOM 0 HB2 LYS A 46 -1.780 -5.760 6.605 1.00 -0.10 H new ATOM 0 HB3 LYS A 46 -2.868 -6.750 7.557 1.00 -0.10 H new ATOM 0 HG2 LYS A 46 -0.936 -8.018 8.479 1.00 -0.16 H new ATOM 0 HG3 LYS A 46 0.167 -7.076 7.497 1.00 -0.16 H new ATOM 0 HD2 LYS A 46 0.190 -6.133 9.726 1.00 -0.18 H new ATOM 0 HD3 LYS A 46 -0.620 -4.987 8.677 1.00 -0.18 H new ATOM 0 HE2 LYS A 46 -2.827 -5.741 9.485 1.00 -0.04 H new ATOM 0 HE3 LYS A 46 -2.080 -7.000 10.448 1.00 -0.04 H new ATOM 0 HZ1 LYS A 46 -2.489 -5.260 11.909 1.00 -0.14 H new ATOM 0 HZ2 LYS A 46 -0.828 -5.137 11.579 1.00 -0.14 H new ATOM 0 HZ3 LYS A 46 -1.922 -4.076 10.831 1.00 -0.14 H new ATOM 731 N VAL A 47 -3.097 -6.524 4.151 1.00 -0.46 N ATOM 732 CA VAL A 47 -4.143 -6.106 3.237 1.00 0.04 C ATOM 733 C VAL A 47 -4.702 -7.291 2.444 1.00 0.62 C ATOM 734 O VAL A 47 -5.918 -7.434 2.366 1.00 -0.50 O ATOM 735 CB VAL A 47 -3.642 -4.963 2.335 1.00 -0.01 C ATOM 736 CG1 VAL A 47 -3.224 -3.755 3.183 1.00 -0.09 C ATOM 737 CG2 VAL A 47 -2.469 -5.375 1.436 1.00 -0.09 C ATOM 0 H VAL A 47 -2.247 -5.968 4.061 1.00 -0.46 H new ATOM 0 HA VAL A 47 -4.978 -5.714 3.817 1.00 0.04 H new ATOM 0 HB VAL A 47 -4.478 -4.701 1.686 1.00 -0.01 H new ATOM 0 HG11 VAL A 47 -2.872 -2.956 2.530 1.00 -0.09 H new ATOM 0 HG12 VAL A 47 -4.079 -3.402 3.760 1.00 -0.09 H new ATOM 0 HG13 VAL A 47 -2.423 -4.047 3.862 1.00 -0.09 H new ATOM 0 HG21 VAL A 47 -2.163 -4.526 0.825 1.00 -0.09 H new ATOM 0 HG22 VAL A 47 -1.632 -5.697 2.055 1.00 -0.09 H new ATOM 0 HG23 VAL A 47 -2.778 -6.195 0.788 1.00 -0.09 H new ATOM 747 N MET A 48 -3.833 -8.148 1.892 1.00 -0.46 N ATOM 748 CA MET A 48 -4.217 -9.239 1.002 1.00 0.04 C ATOM 749 C MET A 48 -5.318 -10.102 1.623 1.00 0.62 C ATOM 750 O MET A 48 -6.347 -10.347 0.994 1.00 -0.50 O ATOM 751 CB MET A 48 -3.000 -10.110 0.649 1.00 -0.15 C ATOM 752 CG MET A 48 -1.793 -9.333 0.103 1.00 -0.05 C ATOM 753 SD MET A 48 -2.113 -8.161 -1.239 1.00 0.74 S ATOM 754 CE MET A 48 -2.848 -9.230 -2.499 1.00 -0.13 C ATOM 0 H MET A 48 -2.828 -8.097 2.057 1.00 -0.46 H new ATOM 0 HA MET A 48 -4.607 -8.793 0.087 1.00 0.04 H new ATOM 0 HB2 MET A 48 -2.691 -10.657 1.540 1.00 -0.15 H new ATOM 0 HB3 MET A 48 -3.303 -10.851 -0.091 1.00 -0.15 H new ATOM 0 HG2 MET A 48 -1.339 -8.787 0.930 1.00 -0.05 H new ATOM 0 HG3 MET A 48 -1.054 -10.055 -0.246 1.00 -0.05 H new ATOM 0 HE1 MET A 48 -2.444 -8.970 -3.477 1.00 -0.13 H new ATOM 0 HE2 MET A 48 -2.614 -10.271 -2.274 1.00 -0.13 H new ATOM 0 HE3 MET A 48 -3.929 -9.094 -2.506 1.00 -0.13 H new ATOM 764 N ASN A 49 -5.092 -10.538 2.868 1.00 -0.46 N ATOM 765 CA ASN A 49 -6.032 -11.339 3.635 1.00 0.04 C ATOM 766 C ASN A 49 -7.342 -10.578 3.854 1.00 0.62 C ATOM 767 O ASN A 49 -8.418 -11.127 3.630 1.00 -0.50 O ATOM 768 CB ASN A 49 -5.383 -11.726 4.972 1.00 -0.09 C ATOM 769 CG ASN A 49 -6.283 -12.616 5.829 1.00 0.68 C ATOM 770 OD1 ASN A 49 -7.080 -13.395 5.310 1.00 -0.47 O ATOM 771 ND2 ASN A 49 -6.150 -12.512 7.152 1.00 -0.87 N ATOM 0 H ASN A 49 -4.230 -10.335 3.374 1.00 -0.46 H new ATOM 0 HA ASN A 49 -6.275 -12.246 3.081 1.00 0.04 H new ATOM 0 HB2 ASN A 49 -4.444 -12.245 4.779 1.00 -0.09 H new ATOM 0 HB3 ASN A 49 -5.139 -10.821 5.528 1.00 -0.09 H new ATOM 0 HD21 ASN A 49 -6.720 -13.090 7.769 1.00 -0.87 H new ATOM 0 HD22 ASN A 49 -5.478 -11.854 7.547 1.00 -0.87 H new ATOM 778 N MET A 50 -7.244 -9.316 4.291 1.00 -0.46 N ATOM 779 CA MET A 50 -8.401 -8.485 4.589 1.00 0.04 C ATOM 780 C MET A 50 -9.296 -8.264 3.365 1.00 0.62 C ATOM 781 O MET A 50 -10.516 -8.254 3.515 1.00 -0.50 O ATOM 782 CB MET A 50 -7.961 -7.146 5.199 1.00 -0.15 C ATOM 783 CG MET A 50 -7.414 -7.334 6.619 1.00 -0.05 C ATOM 784 SD MET A 50 -7.152 -5.810 7.568 1.00 0.74 S ATOM 785 CE MET A 50 -5.888 -4.988 6.570 1.00 -0.13 C ATOM 0 H MET A 50 -6.352 -8.847 4.446 1.00 -0.46 H new ATOM 0 HA MET A 50 -9.002 -9.023 5.322 1.00 0.04 H new ATOM 0 HB2 MET A 50 -7.196 -6.691 4.570 1.00 -0.15 H new ATOM 0 HB3 MET A 50 -8.806 -6.458 5.221 1.00 -0.15 H new ATOM 0 HG2 MET A 50 -8.103 -7.971 7.173 1.00 -0.05 H new ATOM 0 HG3 MET A 50 -6.466 -7.869 6.556 1.00 -0.05 H new ATOM 0 HE1 MET A 50 -5.548 -4.088 7.083 1.00 -0.13 H new ATOM 0 HE2 MET A 50 -5.045 -5.663 6.423 1.00 -0.13 H new ATOM 0 HE3 MET A 50 -6.309 -4.717 5.602 1.00 -0.13 H new ATOM 795 N GLN A 51 -8.725 -8.078 2.166 1.00 -0.46 N ATOM 796 CA GLN A 51 -9.537 -7.770 0.997 1.00 0.04 C ATOM 797 C GLN A 51 -10.422 -8.945 0.589 1.00 0.62 C ATOM 798 O GLN A 51 -11.644 -8.815 0.576 1.00 -0.50 O ATOM 799 CB GLN A 51 -8.712 -7.283 -0.202 1.00 -0.10 C ATOM 800 CG GLN A 51 -7.883 -6.035 0.130 1.00 -0.10 C ATOM 801 CD GLN A 51 -7.536 -5.133 -1.055 1.00 0.68 C ATOM 802 OE1 GLN A 51 -6.887 -4.109 -0.860 1.00 -0.47 O ATOM 803 NE2 GLN A 51 -7.945 -5.479 -2.276 1.00 -0.87 N ATOM 0 H GLN A 51 -7.722 -8.136 1.989 1.00 -0.46 H new ATOM 0 HA GLN A 51 -10.179 -6.944 1.303 1.00 0.04 H new ATOM 0 HB2 GLN A 51 -8.047 -8.081 -0.531 1.00 -0.10 H new ATOM 0 HB3 GLN A 51 -9.380 -7.062 -1.034 1.00 -0.10 H new ATOM 0 HG2 GLN A 51 -8.429 -5.444 0.865 1.00 -0.10 H new ATOM 0 HG3 GLN A 51 -6.955 -6.354 0.604 1.00 -0.10 H new ATOM 0 HE21 GLN A 51 -8.483 -6.335 -2.410 1.00 -0.87 H new ATOM 0 HE22 GLN A 51 -7.720 -4.887 -3.076 1.00 -0.87 H new ATOM 812 N ALA A 52 -9.799 -10.067 0.206 1.00 -0.46 N ATOM 813 CA ALA A 52 -10.476 -11.206 -0.403 1.00 0.04 C ATOM 814 C ALA A 52 -11.361 -10.766 -1.581 1.00 0.62 C ATOM 815 O ALA A 52 -12.512 -11.180 -1.694 1.00 -0.50 O ATOM 816 CB ALA A 52 -11.241 -12.001 0.663 1.00 -0.10 C ATOM 0 H ALA A 52 -8.794 -10.205 0.315 1.00 -0.46 H new ATOM 0 HA ALA A 52 -9.730 -11.878 -0.827 1.00 0.04 H new ATOM 0 HB1 ALA A 52 -11.742 -12.849 0.195 1.00 -0.10 H new ATOM 0 HB2 ALA A 52 -10.543 -12.363 1.417 1.00 -0.10 H new ATOM 0 HB3 ALA A 52 -11.983 -11.357 1.135 1.00 -0.10 H new ATOM 822 N LYS A 53 -10.803 -9.928 -2.466 1.00 -0.46 N ATOM 823 CA LYS A 53 -11.437 -9.454 -3.689 1.00 0.04 C ATOM 824 C LYS A 53 -12.764 -8.726 -3.405 1.00 0.62 C ATOM 825 O LYS A 53 -12.749 -7.583 -2.951 1.00 -0.50 O ATOM 826 CB LYS A 53 -11.541 -10.609 -4.704 1.00 -0.10 C ATOM 827 CG LYS A 53 -11.930 -10.127 -6.108 1.00 -0.16 C ATOM 828 CD LYS A 53 -12.420 -11.310 -6.951 1.00 -0.18 C ATOM 829 CE LYS A 53 -12.759 -10.856 -8.374 1.00 -0.04 C ATOM 830 NZ LYS A 53 -13.333 -11.955 -9.171 1.00 -0.14 N ATOM 0 H LYS A 53 -9.863 -9.552 -2.339 1.00 -0.46 H new ATOM 0 HA LYS A 53 -10.811 -8.691 -4.152 1.00 0.04 H new ATOM 0 HB2 LYS A 53 -10.585 -11.130 -4.755 1.00 -0.10 H new ATOM 0 HB3 LYS A 53 -12.279 -11.330 -4.354 1.00 -0.10 H new ATOM 0 HG2 LYS A 53 -12.712 -9.371 -6.038 1.00 -0.16 H new ATOM 0 HG3 LYS A 53 -11.073 -9.656 -6.590 1.00 -0.16 H new ATOM 0 HD2 LYS A 53 -11.652 -12.083 -6.984 1.00 -0.18 H new ATOM 0 HD3 LYS A 53 -13.300 -11.755 -6.486 1.00 -0.18 H new ATOM 0 HE2 LYS A 53 -13.466 -10.027 -8.334 1.00 -0.04 H new ATOM 0 HE3 LYS A 53 -11.858 -10.483 -8.862 1.00 -0.04 H new ATOM 0 HZ1 LYS A 53 -13.551 -11.612 -10.129 1.00 -0.14 H new ATOM 0 HZ2 LYS A 53 -12.648 -12.736 -9.230 1.00 -0.14 H new ATOM 0 HZ3 LYS A 53 -14.206 -12.293 -8.718 1.00 -0.14 H new ATOM 844 N ALA A 54 -13.905 -9.366 -3.705 1.00 -0.46 N ATOM 845 CA ALA A 54 -15.224 -8.747 -3.728 1.00 0.04 C ATOM 846 C ALA A 54 -15.727 -8.379 -2.332 1.00 0.62 C ATOM 847 O ALA A 54 -16.523 -7.452 -2.190 1.00 -0.50 O ATOM 848 CB ALA A 54 -16.210 -9.688 -4.425 1.00 -0.10 C ATOM 0 H ALA A 54 -13.928 -10.357 -3.944 1.00 -0.46 H new ATOM 0 HA ALA A 54 -15.144 -7.812 -4.282 1.00 0.04 H new ATOM 0 HB1 ALA A 54 -17.199 -9.229 -4.445 1.00 -0.10 H new ATOM 0 HB2 ALA A 54 -15.876 -9.874 -5.446 1.00 -0.10 H new ATOM 0 HB3 ALA A 54 -16.259 -10.632 -3.881 1.00 -0.10 H new ATOM 854 N GLU A 55 -15.257 -9.087 -1.299 1.00 -0.46 N ATOM 855 CA GLU A 55 -15.602 -8.800 0.087 1.00 0.04 C ATOM 856 C GLU A 55 -15.178 -7.376 0.481 1.00 0.62 C ATOM 857 O GLU A 55 -15.787 -6.785 1.372 1.00 -0.50 O ATOM 858 CB GLU A 55 -14.970 -9.855 1.006 1.00 -0.18 C ATOM 859 CG GLU A 55 -15.749 -11.179 1.021 1.00 -0.40 C ATOM 860 CD GLU A 55 -15.730 -11.913 -0.318 1.00 0.71 C ATOM 861 OE1 GLU A 55 -14.774 -12.692 -0.527 1.00 -0.72 O ATOM 862 OE2 GLU A 55 -16.670 -11.692 -1.110 1.00 -0.72 O ATOM 0 H GLU A 55 -14.623 -9.879 -1.408 1.00 -0.46 H new ATOM 0 HA GLU A 55 -16.685 -8.849 0.200 1.00 0.04 H new ATOM 0 HB2 GLU A 55 -13.947 -10.045 0.682 1.00 -0.18 H new ATOM 0 HB3 GLU A 55 -14.915 -9.460 2.020 1.00 -0.18 H new ATOM 0 HG2 GLU A 55 -15.330 -11.829 1.789 1.00 -0.40 H new ATOM 0 HG3 GLU A 55 -16.783 -10.980 1.302 1.00 -0.40 H new ATOM 869 N PHE A 56 -14.173 -6.807 -0.206 1.00 -0.46 N ATOM 870 CA PHE A 56 -13.648 -5.473 0.057 1.00 0.04 C ATOM 871 C PHE A 56 -14.521 -4.375 -0.570 1.00 0.62 C ATOM 872 O PHE A 56 -14.003 -3.447 -1.191 1.00 -0.50 O ATOM 873 CB PHE A 56 -12.200 -5.417 -0.455 1.00 -0.10 C ATOM 874 CG PHE A 56 -11.297 -4.420 0.245 1.00 -0.10 C ATOM 875 CD1 PHE A 56 -11.101 -4.517 1.636 1.00 -0.15 C ATOM 876 CD2 PHE A 56 -10.505 -3.530 -0.507 1.00 -0.15 C ATOM 877 CE1 PHE A 56 -10.115 -3.747 2.269 1.00 -0.15 C ATOM 878 CE2 PHE A 56 -9.511 -2.762 0.127 1.00 -0.15 C ATOM 879 CZ PHE A 56 -9.303 -2.882 1.513 1.00 -0.15 C ATOM 0 H PHE A 56 -13.698 -7.279 -0.975 1.00 -0.46 H new ATOM 0 HA PHE A 56 -13.664 -5.282 1.130 1.00 0.04 H new ATOM 0 HB2 PHE A 56 -11.760 -6.410 -0.358 1.00 -0.10 H new ATOM 0 HB3 PHE A 56 -12.218 -5.179 -1.519 1.00 -0.10 H new ATOM 0 HD1 PHE A 56 -11.714 -5.189 2.219 1.00 -0.15 H new ATOM 0 HD2 PHE A 56 -10.661 -3.437 -1.572 1.00 -0.15 H new ATOM 0 HE1 PHE A 56 -9.979 -3.818 3.338 1.00 -0.15 H new ATOM 0 HE2 PHE A 56 -8.907 -2.079 -0.452 1.00 -0.15 H new ATOM 0 HZ PHE A 56 -8.523 -2.312 1.995 1.00 -0.15 H new ATOM 889 N TYR A 57 -15.842 -4.471 -0.379 1.00 -0.46 N ATOM 890 CA TYR A 57 -16.831 -3.489 -0.803 1.00 0.04 C ATOM 891 C TYR A 57 -17.965 -3.475 0.221 1.00 0.62 C ATOM 892 O TYR A 57 -18.212 -2.460 0.871 1.00 -0.50 O ATOM 893 CB TYR A 57 -17.382 -3.828 -2.200 1.00 -0.10 C ATOM 894 CG TYR A 57 -16.389 -3.805 -3.348 1.00 -0.03 C ATOM 895 CD1 TYR A 57 -15.678 -2.627 -3.645 1.00 0.00 C ATOM 896 CD2 TYR A 57 -16.291 -4.910 -4.216 1.00 0.00 C ATOM 897 CE1 TYR A 57 -14.832 -2.576 -4.765 1.00 -0.26 C ATOM 898 CE2 TYR A 57 -15.439 -4.864 -5.330 1.00 -0.26 C ATOM 899 CZ TYR A 57 -14.706 -3.697 -5.605 1.00 0.46 C ATOM 900 OH TYR A 57 -13.916 -3.638 -6.714 1.00 -0.53 O ATOM 0 H TYR A 57 -16.262 -5.270 0.095 1.00 -0.46 H new ATOM 0 HA TYR A 57 -16.363 -2.506 -0.863 1.00 0.04 H new ATOM 0 HB2 TYR A 57 -17.830 -4.821 -2.157 1.00 -0.10 H new ATOM 0 HB3 TYR A 57 -18.184 -3.126 -2.429 1.00 -0.10 H new ATOM 0 HD1 TYR A 57 -15.783 -1.760 -3.010 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -16.875 -5.798 -4.023 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -14.278 -1.675 -4.981 1.00 -0.26 H new ATOM 0 HE2 TYR A 57 -15.347 -5.725 -5.976 1.00 -0.26 H new ATOM 0 HH TYR A 57 -13.783 -2.702 -6.971 1.00 -0.53 H new ATOM 910 N SER A 58 -18.664 -4.611 0.342 1.00 -0.46 N ATOM 911 CA SER A 58 -19.873 -4.755 1.137 1.00 0.04 C ATOM 912 C SER A 58 -19.572 -4.688 2.634 1.00 0.62 C ATOM 913 O SER A 58 -20.264 -3.991 3.371 1.00 -0.50 O ATOM 914 CB SER A 58 -20.557 -6.077 0.771 1.00 0.02 C ATOM 915 OG SER A 58 -21.796 -6.190 1.440 1.00 -0.55 O ATOM 0 H SER A 58 -18.390 -5.475 -0.127 1.00 -0.46 H new ATOM 0 HA SER A 58 -20.544 -3.926 0.913 1.00 0.04 H new ATOM 0 HB2 SER A 58 -20.712 -6.128 -0.307 1.00 0.02 H new ATOM 0 HB3 SER A 58 -19.913 -6.914 1.040 1.00 0.02 H new ATOM 0 HG SER A 58 -22.223 -7.038 1.196 1.00 -0.55 H new ATOM 921 N GLU A 59 -18.544 -5.422 3.079 1.00 -0.46 N ATOM 922 CA GLU A 59 -18.228 -5.599 4.492 1.00 0.04 C ATOM 923 C GLU A 59 -17.664 -4.333 5.154 1.00 0.62 C ATOM 924 O GLU A 59 -17.575 -4.290 6.379 1.00 -0.50 O ATOM 925 CB GLU A 59 -17.269 -6.783 4.657 1.00 -0.18 C ATOM 926 CG GLU A 59 -17.870 -8.076 4.085 1.00 -0.40 C ATOM 927 CD GLU A 59 -17.044 -9.304 4.454 1.00 0.71 C ATOM 928 OE1 GLU A 59 -15.801 -9.173 4.471 1.00 -0.72 O ATOM 929 OE2 GLU A 59 -17.670 -10.352 4.714 1.00 -0.72 O ATOM 0 H GLU A 59 -17.904 -5.914 2.456 1.00 -0.46 H new ATOM 0 HA GLU A 59 -19.164 -5.808 5.010 1.00 0.04 H new ATOM 0 HB2 GLU A 59 -16.328 -6.564 4.153 1.00 -0.18 H new ATOM 0 HB3 GLU A 59 -17.040 -6.923 5.713 1.00 -0.18 H new ATOM 0 HG2 GLU A 59 -18.887 -8.198 4.457 1.00 -0.40 H new ATOM 0 HG3 GLU A 59 -17.935 -7.996 3.000 1.00 -0.40 H new ATOM 936 N VAL A 60 -17.301 -3.315 4.358 1.00 -0.46 N ATOM 937 CA VAL A 60 -16.788 -2.021 4.797 1.00 0.04 C ATOM 938 C VAL A 60 -15.341 -2.134 5.288 1.00 0.62 C ATOM 939 O VAL A 60 -14.939 -3.127 5.893 1.00 -0.50 O ATOM 940 CB VAL A 60 -17.717 -1.318 5.811 1.00 -0.01 C ATOM 941 CG1 VAL A 60 -17.273 0.131 6.059 1.00 -0.09 C ATOM 942 CG2 VAL A 60 -19.169 -1.300 5.318 1.00 -0.09 C ATOM 0 H VAL A 60 -17.363 -3.382 3.342 1.00 -0.46 H new ATOM 0 HA VAL A 60 -16.777 -1.369 3.924 1.00 0.04 H new ATOM 0 HB VAL A 60 -17.653 -1.886 6.739 1.00 -0.01 H new ATOM 0 HG11 VAL A 60 -17.946 0.600 6.777 1.00 -0.09 H new ATOM 0 HG12 VAL A 60 -16.258 0.138 6.455 1.00 -0.09 H new ATOM 0 HG13 VAL A 60 -17.300 0.685 5.121 1.00 -0.09 H new ATOM 0 HG21 VAL A 60 -19.797 -0.798 6.054 1.00 -0.09 H new ATOM 0 HG22 VAL A 60 -19.225 -0.766 4.369 1.00 -0.09 H new ATOM 0 HG23 VAL A 60 -19.519 -2.323 5.179 1.00 -0.09 H new ATOM 952 N LEU A 61 -14.554 -1.098 4.989 1.00 -0.46 N ATOM 953 CA LEU A 61 -13.124 -1.025 5.230 1.00 0.04 C ATOM 954 C LEU A 61 -12.789 0.367 5.778 1.00 0.62 C ATOM 955 O LEU A 61 -13.583 1.297 5.644 1.00 -0.50 O ATOM 956 CB LEU A 61 -12.351 -1.370 3.941 1.00 -0.06 C ATOM 957 CG LEU A 61 -13.016 -0.862 2.643 1.00 -0.01 C ATOM 958 CD1 LEU A 61 -11.973 -0.455 1.600 1.00 -0.11 C ATOM 959 CD2 LEU A 61 -13.920 -1.926 2.002 1.00 -0.11 C ATOM 0 H LEU A 61 -14.920 -0.252 4.552 1.00 -0.46 H new ATOM 0 HA LEU A 61 -12.817 -1.759 5.976 1.00 0.04 H new ATOM 0 HB2 LEU A 61 -11.348 -0.949 4.010 1.00 -0.06 H new ATOM 0 HB3 LEU A 61 -12.239 -2.452 3.878 1.00 -0.06 H new ATOM 0 HG LEU A 61 -13.614 0.000 2.938 1.00 -0.01 H new ATOM 0 HD11 LEU A 61 -12.477 -0.103 0.700 1.00 -0.11 H new ATOM 0 HD12 LEU A 61 -11.348 0.343 2.002 1.00 -0.11 H new ATOM 0 HD13 LEU A 61 -11.350 -1.315 1.354 1.00 -0.11 H new ATOM 0 HD21 LEU A 61 -14.366 -1.524 1.092 1.00 -0.11 H new ATOM 0 HD22 LEU A 61 -13.327 -2.807 1.757 1.00 -0.11 H new ATOM 0 HD23 LEU A 61 -14.709 -2.202 2.701 1.00 -0.11 H new ATOM 971 N THR A 62 -11.634 0.493 6.444 1.00 -0.46 N ATOM 972 CA THR A 62 -11.216 1.693 7.160 1.00 0.04 C ATOM 973 C THR A 62 -9.701 1.846 7.038 1.00 0.62 C ATOM 974 O THR A 62 -8.971 0.876 7.221 1.00 -0.50 O ATOM 975 CB THR A 62 -11.644 1.582 8.633 1.00 0.17 C ATOM 976 OG1 THR A 62 -13.054 1.545 8.721 1.00 -0.55 O ATOM 977 CG2 THR A 62 -11.136 2.761 9.468 1.00 -0.19 C ATOM 0 H THR A 62 -10.949 -0.261 6.498 1.00 -0.46 H new ATOM 0 HA THR A 62 -11.690 2.575 6.730 1.00 0.04 H new ATOM 0 HB THR A 62 -11.208 0.664 9.027 1.00 0.17 H new ATOM 0 HG1 THR A 62 -13.321 1.473 9.661 1.00 -0.55 H new ATOM 0 HG21 THR A 62 -11.461 2.642 10.501 1.00 -0.19 H new ATOM 0 HG22 THR A 62 -10.047 2.790 9.431 1.00 -0.19 H new ATOM 0 HG23 THR A 62 -11.538 3.691 9.066 1.00 -0.19 H new ATOM 985 N ILE A 63 -9.231 3.064 6.745 1.00 -0.46 N ATOM 986 CA ILE A 63 -7.814 3.377 6.611 1.00 0.04 C ATOM 987 C ILE A 63 -7.400 4.252 7.791 1.00 0.62 C ATOM 988 O ILE A 63 -8.020 5.284 8.033 1.00 -0.50 O ATOM 989 CB ILE A 63 -7.541 4.095 5.278 1.00 -0.01 C ATOM 990 CG1 ILE A 63 -8.080 3.288 4.086 1.00 -0.05 C ATOM 991 CG2 ILE A 63 -6.031 4.324 5.109 1.00 -0.09 C ATOM 992 CD1 ILE A 63 -8.030 4.099 2.792 1.00 -0.09 C ATOM 0 H ILE A 63 -9.839 3.869 6.593 1.00 -0.46 H new ATOM 0 HA ILE A 63 -7.230 2.457 6.613 1.00 0.04 H new ATOM 0 HB ILE A 63 -8.058 5.054 5.300 1.00 -0.01 H new ATOM 0 HG12 ILE A 63 -7.494 2.376 3.968 1.00 -0.05 H new ATOM 0 HG13 ILE A 63 -9.107 2.983 4.286 1.00 -0.05 H new ATOM 0 HG21 ILE A 63 -5.844 4.833 4.163 1.00 -0.09 H new ATOM 0 HG22 ILE A 63 -5.662 4.938 5.931 1.00 -0.09 H new ATOM 0 HG23 ILE A 63 -5.515 3.364 5.113 1.00 -0.09 H new ATOM 0 HD11 ILE A 63 -8.419 3.497 1.970 1.00 -0.09 H new ATOM 0 HD12 ILE A 63 -8.637 4.998 2.902 1.00 -0.09 H new ATOM 0 HD13 ILE A 63 -6.999 4.381 2.579 1.00 -0.09 H new ATOM 1004 N VAL A 64 -6.339 3.851 8.499 1.00 -0.46 N ATOM 1005 CA VAL A 64 -5.730 4.636 9.560 1.00 0.04 C ATOM 1006 C VAL A 64 -4.777 5.641 8.907 1.00 0.62 C ATOM 1007 O VAL A 64 -3.584 5.370 8.776 1.00 -0.50 O ATOM 1008 CB VAL A 64 -5.018 3.704 10.560 1.00 -0.01 C ATOM 1009 CG1 VAL A 64 -4.438 4.507 11.734 1.00 -0.09 C ATOM 1010 CG2 VAL A 64 -5.987 2.652 11.118 1.00 -0.09 C ATOM 0 H VAL A 64 -5.877 2.955 8.343 1.00 -0.46 H new ATOM 0 HA VAL A 64 -6.478 5.185 10.131 1.00 0.04 H new ATOM 0 HB VAL A 64 -4.212 3.206 10.021 1.00 -0.01 H new ATOM 0 HG11 VAL A 64 -3.940 3.829 12.428 1.00 -0.09 H new ATOM 0 HG12 VAL A 64 -3.718 5.234 11.357 1.00 -0.09 H new ATOM 0 HG13 VAL A 64 -5.243 5.028 12.251 1.00 -0.09 H new ATOM 0 HG21 VAL A 64 -5.459 2.008 11.821 1.00 -0.09 H new ATOM 0 HG22 VAL A 64 -6.810 3.151 11.630 1.00 -0.09 H new ATOM 0 HG23 VAL A 64 -6.381 2.050 10.299 1.00 -0.09 H new ATOM 1020 N VAL A 65 -5.307 6.794 8.483 1.00 -0.46 N ATOM 1021 CA VAL A 65 -4.519 7.857 7.872 1.00 0.04 C ATOM 1022 C VAL A 65 -3.920 8.704 8.995 1.00 0.62 C ATOM 1023 O VAL A 65 -4.477 9.737 9.362 1.00 -0.50 O ATOM 1024 CB VAL A 65 -5.379 8.684 6.896 1.00 -0.01 C ATOM 1025 CG1 VAL A 65 -4.528 9.747 6.185 1.00 -0.09 C ATOM 1026 CG2 VAL A 65 -6.010 7.788 5.824 1.00 -0.09 C ATOM 0 H VAL A 65 -6.301 7.012 8.557 1.00 -0.46 H new ATOM 0 HA VAL A 65 -3.707 7.442 7.274 1.00 0.04 H new ATOM 0 HB VAL A 65 -6.160 9.163 7.486 1.00 -0.01 H new ATOM 0 HG11 VAL A 65 -5.156 10.318 5.501 1.00 -0.09 H new ATOM 0 HG12 VAL A 65 -4.092 10.419 6.925 1.00 -0.09 H new ATOM 0 HG13 VAL A 65 -3.731 9.259 5.624 1.00 -0.09 H new ATOM 0 HG21 VAL A 65 -6.611 8.397 5.149 1.00 -0.09 H new ATOM 0 HG22 VAL A 65 -5.224 7.288 5.259 1.00 -0.09 H new ATOM 0 HG23 VAL A 65 -6.644 7.041 6.301 1.00 -0.09 H new ATOM 1036 N ASP A 66 -2.789 8.245 9.546 1.00 -0.46 N ATOM 1037 CA ASP A 66 -2.041 8.934 10.591 1.00 0.04 C ATOM 1038 C ASP A 66 -2.940 9.212 11.801 1.00 0.62 C ATOM 1039 O ASP A 66 -3.125 10.359 12.205 1.00 -0.50 O ATOM 1040 CB ASP A 66 -1.377 10.206 10.034 1.00 -0.40 C ATOM 1041 CG ASP A 66 -0.378 9.900 8.919 1.00 0.71 C ATOM 1042 OD1 ASP A 66 -0.839 9.603 7.796 1.00 -0.72 O ATOM 1043 OD2 ASP A 66 0.836 9.977 9.208 1.00 -0.72 O ATOM 0 H ASP A 66 -2.363 7.361 9.266 1.00 -0.46 H new ATOM 0 HA ASP A 66 -1.235 8.288 10.940 1.00 0.04 H new ATOM 0 HB2 ASP A 66 -2.147 10.878 9.654 1.00 -0.40 H new ATOM 0 HB3 ASP A 66 -0.866 10.730 10.842 1.00 -0.40 H new ATOM 1048 N GLY A 67 -3.509 8.143 12.368 1.00 -0.46 N ATOM 1049 CA GLY A 67 -4.393 8.209 13.521 1.00 0.04 C ATOM 1050 C GLY A 67 -5.728 8.878 13.191 1.00 0.62 C ATOM 1051 O GLY A 67 -6.248 9.640 14.005 1.00 -0.50 O ATOM 0 H GLY A 67 -3.361 7.193 12.027 1.00 -0.46 H new ATOM 0 HA2 GLY A 67 -4.576 7.201 13.894 1.00 0.04 H new ATOM 0 HA3 GLY A 67 -3.901 8.760 14.322 1.00 0.04 H new ATOM 1055 N LYS A 68 -6.285 8.589 12.007 1.00 -0.46 N ATOM 1056 CA LYS A 68 -7.605 9.043 11.587 1.00 0.04 C ATOM 1057 C LYS A 68 -8.283 7.887 10.859 1.00 0.62 C ATOM 1058 O LYS A 68 -7.817 7.483 9.795 1.00 -0.50 O ATOM 1059 CB LYS A 68 -7.507 10.268 10.665 1.00 -0.10 C ATOM 1060 CG LYS A 68 -6.791 11.457 11.323 1.00 -0.16 C ATOM 1061 CD LYS A 68 -6.638 12.649 10.369 1.00 -0.18 C ATOM 1062 CE LYS A 68 -7.980 13.294 10.000 1.00 -0.04 C ATOM 1063 NZ LYS A 68 -7.783 14.512 9.193 1.00 -0.14 N ATOM 0 H LYS A 68 -5.814 8.020 11.303 1.00 -0.46 H new ATOM 0 HA LYS A 68 -8.185 9.344 12.459 1.00 0.04 H new ATOM 0 HB2 LYS A 68 -6.976 9.989 9.755 1.00 -0.10 H new ATOM 0 HB3 LYS A 68 -8.510 10.574 10.368 1.00 -0.10 H new ATOM 0 HG2 LYS A 68 -7.349 11.771 12.205 1.00 -0.16 H new ATOM 0 HG3 LYS A 68 -5.806 11.140 11.665 1.00 -0.16 H new ATOM 0 HD2 LYS A 68 -5.996 13.398 10.832 1.00 -0.18 H new ATOM 0 HD3 LYS A 68 -6.137 12.318 9.459 1.00 -0.18 H new ATOM 0 HE2 LYS A 68 -8.588 12.581 9.444 1.00 -0.04 H new ATOM 0 HE3 LYS A 68 -8.529 13.541 10.908 1.00 -0.04 H new ATOM 0 HZ1 LYS A 68 -8.708 14.926 8.958 1.00 -0.14 H new ATOM 0 HZ2 LYS A 68 -7.222 15.200 9.735 1.00 -0.14 H new ATOM 0 HZ3 LYS A 68 -7.280 14.270 8.316 1.00 -0.14 H new ATOM 1077 N GLU A 69 -9.370 7.354 11.428 1.00 -0.46 N ATOM 1078 CA GLU A 69 -10.130 6.257 10.848 1.00 0.04 C ATOM 1079 C GLU A 69 -10.988 6.770 9.691 1.00 0.62 C ATOM 1080 O GLU A 69 -12.158 7.098 9.878 1.00 -0.50 O ATOM 1081 CB GLU A 69 -11.006 5.601 11.920 1.00 -0.18 C ATOM 1082 CG GLU A 69 -10.183 4.860 12.978 1.00 -0.40 C ATOM 1083 CD GLU A 69 -11.090 4.184 14.004 1.00 0.71 C ATOM 1084 OE1 GLU A 69 -12.050 3.511 13.566 1.00 -0.72 O ATOM 1085 OE2 GLU A 69 -10.815 4.359 15.211 1.00 -0.72 O ATOM 0 H GLU A 69 -9.747 7.682 12.317 1.00 -0.46 H new ATOM 0 HA GLU A 69 -9.439 5.508 10.461 1.00 0.04 H new ATOM 0 HB2 GLU A 69 -11.613 6.365 12.406 1.00 -0.18 H new ATOM 0 HB3 GLU A 69 -11.694 4.902 11.445 1.00 -0.18 H new ATOM 0 HG2 GLU A 69 -9.553 4.112 12.496 1.00 -0.40 H new ATOM 0 HG3 GLU A 69 -9.517 5.561 13.482 1.00 -0.40 H new ATOM 1092 N ILE A 70 -10.408 6.820 8.488 1.00 -0.46 N ATOM 1093 CA ILE A 70 -11.114 7.198 7.275 1.00 0.04 C ATOM 1094 C ILE A 70 -11.868 5.970 6.761 1.00 0.62 C ATOM 1095 O ILE A 70 -11.282 5.106 6.111 1.00 -0.50 O ATOM 1096 CB ILE A 70 -10.127 7.763 6.237 1.00 -0.01 C ATOM 1097 CG1 ILE A 70 -9.261 8.911 6.793 1.00 -0.05 C ATOM 1098 CG2 ILE A 70 -10.878 8.226 4.983 1.00 -0.09 C ATOM 1099 CD1 ILE A 70 -10.045 10.031 7.485 1.00 -0.09 C ATOM 0 H ILE A 70 -9.425 6.596 8.335 1.00 -0.46 H new ATOM 0 HA ILE A 70 -11.836 7.990 7.475 1.00 0.04 H new ATOM 0 HB ILE A 70 -9.447 6.951 5.978 1.00 -0.01 H new ATOM 0 HG12 ILE A 70 -8.545 8.496 7.502 1.00 -0.05 H new ATOM 0 HG13 ILE A 70 -8.685 9.342 5.974 1.00 -0.05 H new ATOM 0 HG21 ILE A 70 -10.167 8.623 4.259 1.00 -0.09 H new ATOM 0 HG22 ILE A 70 -11.409 7.381 4.544 1.00 -0.09 H new ATOM 0 HG23 ILE A 70 -11.593 9.003 5.253 1.00 -0.09 H new ATOM 0 HD11 ILE A 70 -9.352 10.793 7.843 1.00 -0.09 H new ATOM 0 HD12 ILE A 70 -10.742 10.479 6.776 1.00 -0.09 H new ATOM 0 HD13 ILE A 70 -10.599 9.620 8.328 1.00 -0.09 H new ATOM 1111 N LYS A 71 -13.172 5.898 7.061 1.00 -0.46 N ATOM 1112 CA LYS A 71 -14.056 4.850 6.570 1.00 0.04 C ATOM 1113 C LYS A 71 -14.199 4.990 5.052 1.00 0.62 C ATOM 1114 O LYS A 71 -14.389 6.096 4.545 1.00 -0.50 O ATOM 1115 CB LYS A 71 -15.427 4.929 7.261 1.00 -0.10 C ATOM 1116 CG LYS A 71 -15.477 4.238 8.634 1.00 -0.16 C ATOM 1117 CD LYS A 71 -14.556 4.876 9.682 1.00 -0.18 C ATOM 1118 CE LYS A 71 -14.660 4.184 11.048 1.00 -0.04 C ATOM 1119 NZ LYS A 71 -15.985 4.350 11.668 1.00 -0.14 N ATOM 0 H LYS A 71 -13.641 6.578 7.659 1.00 -0.46 H new ATOM 0 HA LYS A 71 -13.628 3.875 6.802 1.00 0.04 H new ATOM 0 HB2 LYS A 71 -15.701 5.977 7.383 1.00 -0.10 H new ATOM 0 HB3 LYS A 71 -16.176 4.477 6.611 1.00 -0.10 H new ATOM 0 HG2 LYS A 71 -16.502 4.259 9.004 1.00 -0.16 H new ATOM 0 HG3 LYS A 71 -15.203 3.190 8.513 1.00 -0.16 H new ATOM 0 HD2 LYS A 71 -13.525 4.831 9.332 1.00 -0.18 H new ATOM 0 HD3 LYS A 71 -14.809 5.930 9.791 1.00 -0.18 H new ATOM 0 HE2 LYS A 71 -14.449 3.121 10.930 1.00 -0.04 H new ATOM 0 HE3 LYS A 71 -13.898 4.588 11.715 1.00 -0.04 H new ATOM 0 HZ1 LYS A 71 -15.961 3.984 12.641 1.00 -0.14 H new ATOM 0 HZ2 LYS A 71 -16.237 5.359 11.684 1.00 -0.14 H new ATOM 0 HZ3 LYS A 71 -16.694 3.825 11.117 1.00 -0.14 H new ATOM 1133 N VAL A 72 -14.083 3.866 4.338 1.00 -0.46 N ATOM 1134 CA VAL A 72 -14.062 3.792 2.883 1.00 0.04 C ATOM 1135 C VAL A 72 -14.918 2.616 2.399 1.00 0.62 C ATOM 1136 O VAL A 72 -15.370 1.791 3.194 1.00 -0.50 O ATOM 1137 CB VAL A 72 -12.606 3.688 2.374 1.00 -0.01 C ATOM 1138 CG1 VAL A 72 -11.893 5.044 2.390 1.00 -0.09 C ATOM 1139 CG2 VAL A 72 -11.774 2.705 3.201 1.00 -0.09 C ATOM 0 H VAL A 72 -13.998 2.950 4.779 1.00 -0.46 H new ATOM 0 HA VAL A 72 -14.492 4.705 2.471 1.00 0.04 H new ATOM 0 HB VAL A 72 -12.684 3.327 1.349 1.00 -0.01 H new ATOM 0 HG11 VAL A 72 -10.873 4.923 2.024 1.00 -0.09 H new ATOM 0 HG12 VAL A 72 -12.428 5.744 1.748 1.00 -0.09 H new ATOM 0 HG13 VAL A 72 -11.870 5.431 3.409 1.00 -0.09 H new ATOM 0 HG21 VAL A 72 -10.759 2.666 2.806 1.00 -0.09 H new ATOM 0 HG22 VAL A 72 -11.747 3.035 4.239 1.00 -0.09 H new ATOM 0 HG23 VAL A 72 -12.223 1.713 3.147 1.00 -0.09 H new ATOM 1149 N LYS A 73 -15.147 2.566 1.080 1.00 -0.46 N ATOM 1150 CA LYS A 73 -15.879 1.516 0.376 1.00 0.04 C ATOM 1151 C LYS A 73 -15.043 0.960 -0.782 1.00 0.62 C ATOM 1152 O LYS A 73 -15.045 -0.247 -1.007 1.00 -0.50 O ATOM 1153 CB LYS A 73 -17.207 2.078 -0.155 1.00 -0.10 C ATOM 1154 CG LYS A 73 -18.274 2.270 0.932 1.00 -0.16 C ATOM 1155 CD LYS A 73 -18.914 0.933 1.338 1.00 -0.18 C ATOM 1156 CE LYS A 73 -20.063 1.108 2.339 1.00 -0.04 C ATOM 1157 NZ LYS A 73 -21.193 1.868 1.775 1.00 -0.14 N ATOM 0 H LYS A 73 -14.809 3.293 0.449 1.00 -0.46 H new ATOM 0 HA LYS A 73 -16.084 0.704 1.073 1.00 0.04 H new ATOM 0 HB2 LYS A 73 -17.018 3.036 -0.640 1.00 -0.10 H new ATOM 0 HB3 LYS A 73 -17.596 1.405 -0.919 1.00 -0.10 H new ATOM 0 HG2 LYS A 73 -17.823 2.739 1.807 1.00 -0.16 H new ATOM 0 HG3 LYS A 73 -19.046 2.948 0.569 1.00 -0.16 H new ATOM 0 HD2 LYS A 73 -19.287 0.428 0.447 1.00 -0.18 H new ATOM 0 HD3 LYS A 73 -18.152 0.288 1.775 1.00 -0.18 H new ATOM 0 HE2 LYS A 73 -20.413 0.127 2.660 1.00 -0.04 H new ATOM 0 HE3 LYS A 73 -19.692 1.620 3.227 1.00 -0.04 H new ATOM 0 HZ1 LYS A 73 -22.010 1.801 2.414 1.00 -0.14 H new ATOM 0 HZ2 LYS A 73 -20.920 2.866 1.666 1.00 -0.14 H new ATOM 0 HZ3 LYS A 73 -21.447 1.475 0.846 1.00 -0.14 H new ATOM 1171 N ALA A 74 -14.349 1.841 -1.516 1.00 -0.46 N ATOM 1172 CA ALA A 74 -13.521 1.541 -2.683 1.00 0.04 C ATOM 1173 C ALA A 74 -14.334 1.239 -3.943 1.00 0.62 C ATOM 1174 O ALA A 74 -15.499 0.851 -3.866 1.00 -0.50 O ATOM 1175 CB ALA A 74 -12.479 0.453 -2.394 1.00 -0.10 C ATOM 0 H ALA A 74 -14.353 2.837 -1.295 1.00 -0.46 H new ATOM 0 HA ALA A 74 -12.973 2.459 -2.896 1.00 0.04 H new ATOM 0 HB1 ALA A 74 -11.889 0.266 -3.292 1.00 -0.10 H new ATOM 0 HB2 ALA A 74 -11.821 0.783 -1.590 1.00 -0.10 H new ATOM 0 HB3 ALA A 74 -12.985 -0.465 -2.095 1.00 -0.10 H new ATOM 1181 N GLN A 75 -13.699 1.452 -5.104 1.00 -0.46 N ATOM 1182 CA GLN A 75 -14.281 1.254 -6.425 1.00 0.04 C ATOM 1183 C GLN A 75 -13.344 0.386 -7.263 1.00 0.62 C ATOM 1184 O GLN A 75 -13.579 -0.813 -7.395 1.00 -0.50 O ATOM 1185 CB GLN A 75 -14.545 2.614 -7.092 1.00 -0.10 C ATOM 1186 CG GLN A 75 -15.711 3.370 -6.445 1.00 -0.10 C ATOM 1187 CD GLN A 75 -17.054 2.675 -6.660 1.00 0.68 C ATOM 1188 OE1 GLN A 75 -17.688 2.228 -5.707 1.00 -0.47 O ATOM 1189 NE2 GLN A 75 -17.498 2.589 -7.915 1.00 -0.87 N ATOM 0 H GLN A 75 -12.733 1.778 -5.143 1.00 -0.46 H new ATOM 0 HA GLN A 75 -15.238 0.739 -6.339 1.00 0.04 H new ATOM 0 HB2 GLN A 75 -13.644 3.224 -7.034 1.00 -0.10 H new ATOM 0 HB3 GLN A 75 -14.758 2.461 -8.150 1.00 -0.10 H new ATOM 0 HG2 GLN A 75 -15.525 3.470 -5.376 1.00 -0.10 H new ATOM 0 HG3 GLN A 75 -15.758 4.378 -6.856 1.00 -0.10 H new ATOM 0 HE21 GLN A 75 -16.943 2.972 -8.680 1.00 -0.87 H new ATOM 0 HE22 GLN A 75 -18.393 2.140 -8.110 1.00 -0.87 H new ATOM 1198 N ASP A 76 -12.289 0.980 -7.835 1.00 -0.46 N ATOM 1199 CA ASP A 76 -11.370 0.284 -8.724 1.00 0.04 C ATOM 1200 C ASP A 76 -10.287 -0.402 -7.889 1.00 0.62 C ATOM 1201 O ASP A 76 -9.149 0.057 -7.804 1.00 -0.50 O ATOM 1202 CB ASP A 76 -10.819 1.248 -9.784 1.00 -0.40 C ATOM 1203 CG ASP A 76 -11.945 1.882 -10.596 1.00 0.71 C ATOM 1204 OD1 ASP A 76 -12.455 2.930 -10.141 1.00 -0.72 O ATOM 1205 OD2 ASP A 76 -12.287 1.302 -11.649 1.00 -0.72 O ATOM 0 H ASP A 76 -12.054 1.962 -7.689 1.00 -0.46 H new ATOM 0 HA ASP A 76 -11.888 -0.498 -9.278 1.00 0.04 H new ATOM 0 HB2 ASP A 76 -10.233 2.029 -9.299 1.00 -0.40 H new ATOM 0 HB3 ASP A 76 -10.144 0.711 -10.451 1.00 -0.40 H new ATOM 1210 N VAL A 77 -10.671 -1.517 -7.259 1.00 -0.46 N ATOM 1211 CA VAL A 77 -9.798 -2.370 -6.469 1.00 0.04 C ATOM 1212 C VAL A 77 -8.992 -3.244 -7.434 1.00 0.62 C ATOM 1213 O VAL A 77 -9.502 -4.253 -7.922 1.00 -0.50 O ATOM 1214 CB VAL A 77 -10.659 -3.198 -5.493 1.00 -0.01 C ATOM 1215 CG1 VAL A 77 -9.855 -4.279 -4.769 1.00 -0.09 C ATOM 1216 CG2 VAL A 77 -11.303 -2.279 -4.446 1.00 -0.09 C ATOM 0 H VAL A 77 -11.633 -1.856 -7.291 1.00 -0.46 H new ATOM 0 HA VAL A 77 -9.096 -1.792 -5.868 1.00 0.04 H new ATOM 0 HB VAL A 77 -11.423 -3.691 -6.094 1.00 -0.01 H new ATOM 0 HG11 VAL A 77 -10.511 -4.830 -4.095 1.00 -0.09 H new ATOM 0 HG12 VAL A 77 -9.426 -4.965 -5.500 1.00 -0.09 H new ATOM 0 HG13 VAL A 77 -9.054 -3.813 -4.195 1.00 -0.09 H new ATOM 0 HG21 VAL A 77 -11.908 -2.874 -3.762 1.00 -0.09 H new ATOM 0 HG22 VAL A 77 -10.523 -1.764 -3.885 1.00 -0.09 H new ATOM 0 HG23 VAL A 77 -11.935 -1.545 -4.946 1.00 -0.09 H new ATOM 1226 N GLN A 78 -7.736 -2.865 -7.708 1.00 -0.46 N ATOM 1227 CA GLN A 78 -6.872 -3.592 -8.633 1.00 0.04 C ATOM 1228 C GLN A 78 -6.168 -4.732 -7.894 1.00 0.62 C ATOM 1229 O GLN A 78 -4.939 -4.760 -7.800 1.00 -0.50 O ATOM 1230 CB GLN A 78 -5.888 -2.636 -9.328 1.00 -0.10 C ATOM 1231 CG GLN A 78 -6.574 -1.407 -9.944 1.00 -0.10 C ATOM 1232 CD GLN A 78 -7.686 -1.799 -10.914 1.00 0.68 C ATOM 1233 OE1 GLN A 78 -8.866 -1.716 -10.582 1.00 -0.47 O ATOM 1234 NE2 GLN A 78 -7.310 -2.241 -12.116 1.00 -0.87 N ATOM 0 H GLN A 78 -7.295 -2.045 -7.292 1.00 -0.46 H new ATOM 0 HA GLN A 78 -7.476 -4.037 -9.423 1.00 0.04 H new ATOM 0 HB2 GLN A 78 -5.142 -2.304 -8.606 1.00 -0.10 H new ATOM 0 HB3 GLN A 78 -5.356 -3.178 -10.110 1.00 -0.10 H new ATOM 0 HG2 GLN A 78 -6.988 -0.787 -9.149 1.00 -0.10 H new ATOM 0 HG3 GLN A 78 -5.833 -0.802 -10.467 1.00 -0.10 H new ATOM 0 HE21 GLN A 78 -6.319 -2.295 -12.353 1.00 -0.87 H new ATOM 0 HE22 GLN A 78 -8.013 -2.525 -12.798 1.00 -0.87 H new ATOM 1243 N ARG A 79 -6.968 -5.678 -7.383 1.00 -0.46 N ATOM 1244 CA ARG A 79 -6.499 -6.869 -6.692 1.00 0.04 C ATOM 1245 C ARG A 79 -6.504 -8.043 -7.665 1.00 0.62 C ATOM 1246 O ARG A 79 -7.556 -8.403 -8.187 1.00 -0.50 O ATOM 1247 CB ARG A 79 -7.374 -7.139 -5.456 1.00 -0.08 C ATOM 1248 CG ARG A 79 -6.809 -8.268 -4.577 1.00 -0.10 C ATOM 1249 CD ARG A 79 -7.426 -9.644 -4.860 1.00 -0.23 C ATOM 1250 NE ARG A 79 -6.457 -10.708 -4.559 1.00 -0.32 N ATOM 1251 CZ ARG A 79 -6.717 -11.943 -4.100 1.00 0.76 C ATOM 1252 NH1 ARG A 79 -7.954 -12.314 -3.743 1.00 -0.62 N ATOM 1253 NH2 ARG A 79 -5.711 -12.824 -4.015 1.00 -0.62 N ATOM 0 H ARG A 79 -7.985 -5.627 -7.445 1.00 -0.46 H new ATOM 0 HA ARG A 79 -5.478 -6.724 -6.339 1.00 0.04 H new ATOM 0 HB2 ARG A 79 -7.455 -6.227 -4.865 1.00 -0.08 H new ATOM 0 HB3 ARG A 79 -8.382 -7.401 -5.777 1.00 -0.08 H new ATOM 0 HG2 ARG A 79 -5.731 -8.326 -4.726 1.00 -0.10 H new ATOM 0 HG3 ARG A 79 -6.973 -8.016 -3.529 1.00 -0.10 H new ATOM 0 HD2 ARG A 79 -8.324 -9.779 -4.257 1.00 -0.23 H new ATOM 0 HD3 ARG A 79 -7.732 -9.706 -5.904 1.00 -0.23 H new ATOM 0 HE ARG A 79 -5.475 -10.482 -4.717 1.00 -0.32 H new ATOM 0 HH11 ARG A 79 -8.726 -11.652 -3.817 1.00 -0.62 H new ATOM 0 HH12 ARG A 79 -8.123 -13.259 -3.398 1.00 -0.62 H new ATOM 0 HH21 ARG A 79 -4.769 -12.551 -4.296 1.00 -0.62 H new ATOM 0 HH22 ARG A 79 -5.887 -13.767 -3.669 1.00 -0.62 H new ATOM 1267 N HIS A 80 -5.328 -8.640 -7.895 1.00 -0.46 N ATOM 1268 CA HIS A 80 -5.168 -9.804 -8.751 1.00 0.04 C ATOM 1269 C HIS A 80 -5.689 -11.037 -7.999 1.00 0.62 C ATOM 1270 O HIS A 80 -5.092 -11.399 -6.985 1.00 -0.50 O ATOM 1271 CB HIS A 80 -3.678 -9.943 -9.093 1.00 -0.10 C ATOM 1272 CG HIS A 80 -3.347 -10.973 -10.147 1.00 -0.03 C ATOM 1273 ND1 HIS A 80 -4.229 -11.815 -10.791 1.00 -0.15 N ATOM 1274 CD2 HIS A 80 -2.117 -11.157 -10.717 1.00 0.20 C ATOM 1275 CE1 HIS A 80 -3.539 -12.479 -11.733 1.00 0.24 C ATOM 1276 NE2 HIS A 80 -2.247 -12.116 -11.724 1.00 -0.50 N ATOM 0 H HIS A 80 -4.453 -8.317 -7.482 1.00 -0.46 H new ATOM 0 HA HIS A 80 -5.733 -9.703 -9.678 1.00 0.04 H new ATOM 0 HB2 HIS A 80 -3.308 -8.974 -9.428 1.00 -0.10 H new ATOM 0 HB3 HIS A 80 -3.136 -10.194 -8.181 1.00 -0.10 H new ATOM 0 HD2 HIS A 80 -1.205 -10.650 -10.437 1.00 0.20 H new ATOM 0 HE1 HIS A 80 -3.966 -13.207 -12.407 1.00 0.24 H new ATOM 0 HE2 HIS A 80 -1.508 -12.470 -12.331 1.00 -0.50 H new ATOM 1284 N PRO A 81 -6.788 -11.683 -8.436 1.00 -0.23 N ATOM 1285 CA PRO A 81 -7.358 -12.818 -7.723 1.00 0.04 C ATOM 1286 C PRO A 81 -6.386 -14.000 -7.696 1.00 0.53 C ATOM 1287 O PRO A 81 -6.090 -14.526 -6.624 1.00 -0.50 O ATOM 1288 CB PRO A 81 -8.675 -13.151 -8.429 1.00 -0.12 C ATOM 1289 CG PRO A 81 -8.499 -12.577 -9.833 1.00 -0.12 C ATOM 1290 CD PRO A 81 -7.607 -11.359 -9.598 1.00 -0.01 C ATOM 0 HA PRO A 81 -7.545 -12.582 -6.675 1.00 0.04 H new ATOM 0 HB2 PRO A 81 -8.852 -14.226 -8.457 1.00 -0.12 H new ATOM 0 HB3 PRO A 81 -9.526 -12.701 -7.918 1.00 -0.12 H new ATOM 0 HG2 PRO A 81 -8.032 -13.295 -10.507 1.00 -0.12 H new ATOM 0 HG3 PRO A 81 -9.454 -12.298 -10.277 1.00 -0.12 H new ATOM 0 HD2 PRO A 81 -6.985 -11.156 -10.470 1.00 -0.01 H new ATOM 0 HD3 PRO A 81 -8.205 -10.466 -9.418 1.00 -0.01 H new ATOM 1298 N TYR A 82 -5.880 -14.403 -8.867 1.00 -0.46 N ATOM 1299 CA TYR A 82 -4.900 -15.470 -8.987 1.00 0.04 C ATOM 1300 C TYR A 82 -3.538 -14.962 -8.520 1.00 0.62 C ATOM 1301 O TYR A 82 -2.885 -14.211 -9.239 1.00 -0.50 O ATOM 1302 CB TYR A 82 -4.840 -15.968 -10.436 1.00 -0.10 C ATOM 1303 CG TYR A 82 -6.109 -16.656 -10.900 1.00 -0.03 C ATOM 1304 CD1 TYR A 82 -6.348 -17.996 -10.542 1.00 0.00 C ATOM 1305 CD2 TYR A 82 -7.065 -15.955 -11.659 1.00 0.00 C ATOM 1306 CE1 TYR A 82 -7.532 -18.635 -10.948 1.00 -0.26 C ATOM 1307 CE2 TYR A 82 -8.254 -16.591 -12.056 1.00 -0.26 C ATOM 1308 CZ TYR A 82 -8.488 -17.932 -11.703 1.00 0.46 C ATOM 1309 OH TYR A 82 -9.639 -18.548 -12.097 1.00 -0.53 O ATOM 0 H TYR A 82 -6.146 -13.990 -9.761 1.00 -0.46 H new ATOM 0 HA TYR A 82 -5.191 -16.310 -8.357 1.00 0.04 H new ATOM 0 HB2 TYR A 82 -4.635 -15.122 -11.093 1.00 -0.10 H new ATOM 0 HB3 TYR A 82 -4.004 -16.660 -10.538 1.00 -0.10 H new ATOM 0 HD1 TYR A 82 -5.620 -18.535 -9.954 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -6.885 -14.927 -11.937 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -7.708 -19.666 -10.680 1.00 -0.26 H new ATOM 0 HE2 TYR A 82 -8.989 -16.049 -12.633 1.00 -0.26 H new ATOM 0 HH TYR A 82 -10.188 -17.918 -12.609 1.00 -0.53 H new ATOM 1319 N LYS A 83 -3.123 -15.394 -7.322 1.00 -0.46 N ATOM 1320 CA LYS A 83 -1.852 -15.079 -6.677 1.00 0.04 C ATOM 1321 C LYS A 83 -1.841 -13.635 -6.148 1.00 0.62 C ATOM 1322 O LYS A 83 -2.421 -12.746 -6.768 1.00 -0.50 O ATOM 1323 CB LYS A 83 -0.647 -15.383 -7.586 1.00 -0.10 C ATOM 1324 CG LYS A 83 -0.688 -16.827 -8.111 1.00 -0.16 C ATOM 1325 CD LYS A 83 0.593 -17.160 -8.881 1.00 -0.18 C ATOM 1326 CE LYS A 83 0.517 -18.590 -9.428 1.00 -0.04 C ATOM 1327 NZ LYS A 83 1.747 -18.959 -10.150 1.00 -0.14 N ATOM 0 H LYS A 83 -3.702 -16.007 -6.748 1.00 -0.46 H new ATOM 0 HA LYS A 83 -1.751 -15.738 -5.815 1.00 0.04 H new ATOM 0 HB2 LYS A 83 -0.640 -14.689 -8.427 1.00 -0.10 H new ATOM 0 HB3 LYS A 83 0.278 -15.222 -7.032 1.00 -0.10 H new ATOM 0 HG2 LYS A 83 -0.807 -17.519 -7.277 1.00 -0.16 H new ATOM 0 HG3 LYS A 83 -1.553 -16.959 -8.761 1.00 -0.16 H new ATOM 0 HD2 LYS A 83 0.728 -16.455 -9.701 1.00 -0.18 H new ATOM 0 HD3 LYS A 83 1.458 -17.058 -8.226 1.00 -0.18 H new ATOM 0 HE2 LYS A 83 0.354 -19.287 -8.606 1.00 -0.04 H new ATOM 0 HE3 LYS A 83 -0.339 -18.680 -10.097 1.00 -0.04 H new ATOM 0 HZ1 LYS A 83 1.662 -19.932 -10.507 1.00 -0.14 H new ATOM 0 HZ2 LYS A 83 1.889 -18.309 -10.949 1.00 -0.14 H new ATOM 0 HZ3 LYS A 83 2.560 -18.897 -9.505 1.00 -0.14 H new ATOM 1341 N PRO A 84 -1.213 -13.386 -4.985 1.00 -0.23 N ATOM 1342 CA PRO A 84 -1.255 -12.091 -4.327 1.00 0.04 C ATOM 1343 C PRO A 84 -0.421 -11.060 -5.091 1.00 0.53 C ATOM 1344 O PRO A 84 0.805 -11.162 -5.143 1.00 -0.50 O ATOM 1345 CB PRO A 84 -0.718 -12.333 -2.912 1.00 -0.12 C ATOM 1346 CG PRO A 84 0.206 -13.538 -3.083 1.00 -0.12 C ATOM 1347 CD PRO A 84 -0.506 -14.354 -4.160 1.00 -0.01 C ATOM 0 HA PRO A 84 -2.264 -11.681 -4.296 1.00 0.04 H new ATOM 0 HB2 PRO A 84 -0.179 -11.465 -2.533 1.00 -0.12 H new ATOM 0 HB3 PRO A 84 -1.523 -12.541 -2.207 1.00 -0.12 H new ATOM 0 HG2 PRO A 84 1.207 -13.240 -3.396 1.00 -0.12 H new ATOM 0 HG3 PRO A 84 0.316 -14.100 -2.155 1.00 -0.12 H new ATOM 0 HD2 PRO A 84 0.207 -14.927 -4.753 1.00 -0.01 H new ATOM 0 HD3 PRO A 84 -1.198 -15.069 -3.716 1.00 -0.01 H new ATOM 1355 N LYS A 85 -1.087 -10.054 -5.668 1.00 -0.46 N ATOM 1356 CA LYS A 85 -0.435 -8.927 -6.311 1.00 0.04 C ATOM 1357 C LYS A 85 -1.385 -7.728 -6.303 1.00 0.62 C ATOM 1358 O LYS A 85 -2.282 -7.630 -7.141 1.00 -0.50 O ATOM 1359 CB LYS A 85 0.032 -9.313 -7.723 1.00 -0.10 C ATOM 1360 CG LYS A 85 0.832 -8.204 -8.419 1.00 -0.16 C ATOM 1361 CD LYS A 85 2.118 -7.752 -7.706 1.00 -0.18 C ATOM 1362 CE LYS A 85 3.146 -8.872 -7.484 1.00 -0.04 C ATOM 1363 NZ LYS A 85 2.944 -9.594 -6.213 1.00 -0.14 N ATOM 0 H LYS A 85 -2.105 -10.007 -5.698 1.00 -0.46 H new ATOM 0 HA LYS A 85 0.461 -8.642 -5.760 1.00 0.04 H new ATOM 0 HB2 LYS A 85 0.646 -10.212 -7.663 1.00 -0.10 H new ATOM 0 HB3 LYS A 85 -0.838 -9.561 -8.331 1.00 -0.10 H new ATOM 0 HG2 LYS A 85 1.096 -8.547 -9.419 1.00 -0.16 H new ATOM 0 HG3 LYS A 85 0.183 -7.337 -8.540 1.00 -0.16 H new ATOM 0 HD2 LYS A 85 2.584 -6.958 -8.290 1.00 -0.18 H new ATOM 0 HD3 LYS A 85 1.852 -7.323 -6.740 1.00 -0.18 H new ATOM 0 HE2 LYS A 85 3.089 -9.580 -8.311 1.00 -0.04 H new ATOM 0 HE3 LYS A 85 4.149 -8.446 -7.498 1.00 -0.04 H new ATOM 0 HZ1 LYS A 85 3.799 -10.140 -5.984 1.00 -0.14 H new ATOM 0 HZ2 LYS A 85 2.755 -8.911 -5.452 1.00 -0.14 H new ATOM 0 HZ3 LYS A 85 2.135 -10.241 -6.306 1.00 -0.14 H new ATOM 1377 N LEU A 86 -1.178 -6.826 -5.339 1.00 -0.46 N ATOM 1378 CA LEU A 86 -1.934 -5.595 -5.178 1.00 0.04 C ATOM 1379 C LEU A 86 -1.209 -4.484 -5.934 1.00 0.62 C ATOM 1380 O LEU A 86 -0.213 -3.944 -5.455 1.00 -0.50 O ATOM 1381 CB LEU A 86 -2.111 -5.294 -3.677 1.00 -0.06 C ATOM 1382 CG LEU A 86 -3.533 -4.837 -3.318 1.00 -0.01 C ATOM 1383 CD1 LEU A 86 -4.552 -5.972 -3.467 1.00 -0.11 C ATOM 1384 CD2 LEU A 86 -3.594 -4.378 -1.858 1.00 -0.11 C ATOM 0 H LEU A 86 -0.454 -6.943 -4.630 1.00 -0.46 H new ATOM 0 HA LEU A 86 -2.936 -5.682 -5.597 1.00 0.04 H new ATOM 0 HB2 LEU A 86 -1.867 -6.187 -3.102 1.00 -0.06 H new ATOM 0 HB3 LEU A 86 -1.402 -4.521 -3.381 1.00 -0.06 H new ATOM 0 HG LEU A 86 -3.776 -4.025 -4.003 1.00 -0.01 H new ATOM 0 HD11 LEU A 86 -5.545 -5.607 -3.204 1.00 -0.11 H new ATOM 0 HD12 LEU A 86 -4.557 -6.324 -4.499 1.00 -0.11 H new ATOM 0 HD13 LEU A 86 -4.280 -6.794 -2.805 1.00 -0.11 H new ATOM 0 HD21 LEU A 86 -4.608 -4.057 -1.619 1.00 -0.11 H new ATOM 0 HD22 LEU A 86 -3.311 -5.204 -1.205 1.00 -0.11 H new ATOM 0 HD23 LEU A 86 -2.906 -3.546 -1.709 1.00 -0.11 H new ATOM 1396 N GLN A 87 -1.696 -4.175 -7.140 1.00 -0.46 N ATOM 1397 CA GLN A 87 -1.104 -3.170 -8.008 1.00 0.04 C ATOM 1398 C GLN A 87 -1.382 -1.775 -7.448 1.00 0.62 C ATOM 1399 O GLN A 87 -0.466 -0.970 -7.297 1.00 -0.50 O ATOM 1400 CB GLN A 87 -1.675 -3.305 -9.430 1.00 -0.10 C ATOM 1401 CG GLN A 87 -1.393 -4.666 -10.088 1.00 -0.10 C ATOM 1402 CD GLN A 87 0.076 -4.887 -10.457 1.00 0.68 C ATOM 1403 OE1 GLN A 87 0.924 -4.019 -10.267 1.00 -0.47 O ATOM 1404 NE2 GLN A 87 0.380 -6.064 -11.007 1.00 -0.87 N ATOM 0 H GLN A 87 -2.521 -4.624 -7.539 1.00 -0.46 H new ATOM 0 HA GLN A 87 -0.025 -3.320 -8.052 1.00 0.04 H new ATOM 0 HB2 GLN A 87 -2.753 -3.146 -9.395 1.00 -0.10 H new ATOM 0 HB3 GLN A 87 -1.257 -2.516 -10.055 1.00 -0.10 H new ATOM 0 HG2 GLN A 87 -1.710 -5.458 -9.410 1.00 -0.10 H new ATOM 0 HG3 GLN A 87 -2.001 -4.755 -10.989 1.00 -0.10 H new ATOM 0 HE21 GLN A 87 -0.349 -6.763 -11.151 1.00 -0.87 H new ATOM 0 HE22 GLN A 87 1.341 -6.265 -11.284 1.00 -0.87 H new ATOM 1413 N HIS A 88 -2.657 -1.501 -7.153 1.00 -0.46 N ATOM 1414 CA HIS A 88 -3.142 -0.215 -6.681 1.00 0.04 C ATOM 1415 C HIS A 88 -4.515 -0.423 -6.037 1.00 0.62 C ATOM 1416 O HIS A 88 -5.170 -1.431 -6.299 1.00 -0.50 O ATOM 1417 CB HIS A 88 -3.232 0.756 -7.868 1.00 -0.10 C ATOM 1418 CG HIS A 88 -3.581 2.165 -7.467 1.00 -0.03 C ATOM 1419 ND1 HIS A 88 -4.828 2.748 -7.528 1.00 -0.15 N ATOM 1420 CD2 HIS A 88 -2.718 3.082 -6.929 1.00 0.20 C ATOM 1421 CE1 HIS A 88 -4.709 3.996 -7.044 1.00 0.24 C ATOM 1422 NE2 HIS A 88 -3.446 4.245 -6.662 1.00 -0.50 N ATOM 0 H HIS A 88 -3.398 -2.196 -7.242 1.00 -0.46 H new ATOM 0 HA HIS A 88 -2.463 0.210 -5.942 1.00 0.04 H new ATOM 0 HB2 HIS A 88 -2.278 0.763 -8.395 1.00 -0.10 H new ATOM 0 HB3 HIS A 88 -3.981 0.390 -8.570 1.00 -0.10 H new ATOM 0 HD1 HIS A 88 -5.683 2.313 -7.876 1.00 -0.15 H new ATOM 0 HD2 HIS A 88 -1.664 2.933 -6.744 1.00 0.20 H new ATOM 0 HE1 HIS A 88 -5.521 4.704 -6.972 1.00 0.24 H new ATOM 1430 N ILE A 89 -4.956 0.532 -5.209 1.00 -0.46 N ATOM 1431 CA ILE A 89 -6.318 0.580 -4.700 1.00 0.04 C ATOM 1432 C ILE A 89 -6.822 2.015 -4.825 1.00 0.62 C ATOM 1433 O ILE A 89 -6.208 2.942 -4.295 1.00 -0.50 O ATOM 1434 CB ILE A 89 -6.398 0.095 -3.240 1.00 -0.01 C ATOM 1435 CG1 ILE A 89 -5.844 -1.324 -3.019 1.00 -0.05 C ATOM 1436 CG2 ILE A 89 -7.854 0.167 -2.756 1.00 -0.09 C ATOM 1437 CD1 ILE A 89 -6.730 -2.424 -3.604 1.00 -0.09 C ATOM 0 H ILE A 89 -4.368 1.295 -4.875 1.00 -0.46 H new ATOM 0 HA ILE A 89 -6.946 -0.092 -5.285 1.00 0.04 H new ATOM 0 HB ILE A 89 -5.761 0.761 -2.658 1.00 -0.01 H new ATOM 0 HG12 ILE A 89 -4.852 -1.392 -3.466 1.00 -0.05 H new ATOM 0 HG13 ILE A 89 -5.724 -1.496 -1.949 1.00 -0.05 H new ATOM 0 HG21 ILE A 89 -7.911 -0.176 -1.723 1.00 -0.09 H new ATOM 0 HG22 ILE A 89 -8.207 1.196 -2.817 1.00 -0.09 H new ATOM 0 HG23 ILE A 89 -8.478 -0.468 -3.384 1.00 -0.09 H new ATOM 0 HD11 ILE A 89 -6.278 -3.397 -3.411 1.00 -0.09 H new ATOM 0 HD12 ILE A 89 -7.715 -2.383 -3.139 1.00 -0.09 H new ATOM 0 HD13 ILE A 89 -6.830 -2.277 -4.679 1.00 -0.09 H new ATOM 1449 N ASP A 90 -7.956 2.177 -5.515 1.00 -0.46 N ATOM 1450 CA ASP A 90 -8.673 3.433 -5.629 1.00 0.04 C ATOM 1451 C ASP A 90 -9.800 3.413 -4.596 1.00 0.62 C ATOM 1452 O ASP A 90 -10.937 3.050 -4.904 1.00 -0.50 O ATOM 1453 CB ASP A 90 -9.193 3.597 -7.063 1.00 -0.40 C ATOM 1454 CG ASP A 90 -8.057 3.643 -8.087 1.00 0.71 C ATOM 1455 OD1 ASP A 90 -7.515 2.559 -8.399 1.00 -0.72 O ATOM 1456 OD2 ASP A 90 -7.730 4.765 -8.532 1.00 -0.72 O ATOM 0 H ASP A 90 -8.405 1.413 -6.020 1.00 -0.46 H new ATOM 0 HA ASP A 90 -8.028 4.289 -5.429 1.00 0.04 H new ATOM 0 HB2 ASP A 90 -9.862 2.770 -7.302 1.00 -0.40 H new ATOM 0 HB3 ASP A 90 -9.780 4.513 -7.132 1.00 -0.40 H new ATOM 1461 N PHE A 91 -9.468 3.786 -3.355 1.00 -0.46 N ATOM 1462 CA PHE A 91 -10.431 3.862 -2.266 1.00 0.04 C ATOM 1463 C PHE A 91 -11.375 5.043 -2.499 1.00 0.62 C ATOM 1464 O PHE A 91 -10.962 6.040 -3.083 1.00 -0.50 O ATOM 1465 CB PHE A 91 -9.706 4.037 -0.929 1.00 -0.10 C ATOM 1466 CG PHE A 91 -8.778 2.905 -0.535 1.00 -0.10 C ATOM 1467 CD1 PHE A 91 -9.306 1.773 0.109 1.00 -0.15 C ATOM 1468 CD2 PHE A 91 -7.381 3.077 -0.616 1.00 -0.15 C ATOM 1469 CE1 PHE A 91 -8.445 0.837 0.711 1.00 -0.15 C ATOM 1470 CE2 PHE A 91 -6.521 2.130 -0.031 1.00 -0.15 C ATOM 1471 CZ PHE A 91 -7.052 1.015 0.640 1.00 -0.15 C ATOM 0 H PHE A 91 -8.519 4.043 -3.083 1.00 -0.46 H new ATOM 0 HA PHE A 91 -11.006 2.936 -2.236 1.00 0.04 H new ATOM 0 HB2 PHE A 91 -9.128 4.960 -0.968 1.00 -0.10 H new ATOM 0 HB3 PHE A 91 -10.453 4.161 -0.145 1.00 -0.10 H new ATOM 0 HD1 PHE A 91 -10.375 1.621 0.142 1.00 -0.15 H new ATOM 0 HD2 PHE A 91 -6.971 3.936 -1.127 1.00 -0.15 H new ATOM 0 HE1 PHE A 91 -8.854 -0.018 1.228 1.00 -0.15 H new ATOM 0 HE2 PHE A 91 -5.451 2.260 -0.098 1.00 -0.15 H new ATOM 0 HZ PHE A 91 -6.391 0.296 1.101 1.00 -0.15 H new ATOM 1481 N VAL A 92 -12.622 4.963 -2.015 1.00 -0.46 N ATOM 1482 CA VAL A 92 -13.536 6.099 -1.991 1.00 0.04 C ATOM 1483 C VAL A 92 -14.125 6.226 -0.589 1.00 0.62 C ATOM 1484 O VAL A 92 -14.535 5.225 -0.002 1.00 -0.50 O ATOM 1485 CB VAL A 92 -14.596 6.014 -3.108 1.00 -0.01 C ATOM 1486 CG1 VAL A 92 -15.645 4.917 -2.890 1.00 -0.09 C ATOM 1487 CG2 VAL A 92 -15.314 7.360 -3.264 1.00 -0.09 C ATOM 0 H VAL A 92 -13.020 4.106 -1.630 1.00 -0.46 H new ATOM 0 HA VAL A 92 -12.990 7.017 -2.209 1.00 0.04 H new ATOM 0 HB VAL A 92 -14.046 5.757 -4.013 1.00 -0.01 H new ATOM 0 HG11 VAL A 92 -16.354 4.922 -3.718 1.00 -0.09 H new ATOM 0 HG12 VAL A 92 -15.152 3.946 -2.841 1.00 -0.09 H new ATOM 0 HG13 VAL A 92 -16.176 5.102 -1.956 1.00 -0.09 H new ATOM 0 HG21 VAL A 92 -16.059 7.285 -4.056 1.00 -0.09 H new ATOM 0 HG22 VAL A 92 -15.805 7.621 -2.327 1.00 -0.09 H new ATOM 0 HG23 VAL A 92 -14.588 8.132 -3.520 1.00 -0.09 H new ATOM 1497 N ARG A 93 -14.127 7.454 -0.054 1.00 -0.46 N ATOM 1498 CA ARG A 93 -14.606 7.775 1.283 1.00 0.04 C ATOM 1499 C ARG A 93 -16.088 7.425 1.418 1.00 0.62 C ATOM 1500 O ARG A 93 -16.892 7.770 0.552 1.00 -0.50 O ATOM 1501 CB ARG A 93 -14.347 9.259 1.574 1.00 -0.08 C ATOM 1502 CG ARG A 93 -12.844 9.510 1.758 1.00 -0.10 C ATOM 1503 CD ARG A 93 -12.505 11.002 1.698 1.00 -0.23 C ATOM 1504 NE ARG A 93 -11.050 11.211 1.756 1.00 -0.32 N ATOM 1505 CZ ARG A 93 -10.312 11.340 2.872 1.00 0.76 C ATOM 1506 NH1 ARG A 93 -10.887 11.410 4.081 1.00 -0.62 N ATOM 1507 NH2 ARG A 93 -8.977 11.390 2.774 1.00 -0.62 N ATOM 0 H ARG A 93 -13.784 8.270 -0.560 1.00 -0.46 H new ATOM 0 HA ARG A 93 -14.064 7.180 2.018 1.00 0.04 H new ATOM 0 HB2 ARG A 93 -14.727 9.869 0.755 1.00 -0.08 H new ATOM 0 HB3 ARG A 93 -14.886 9.560 2.472 1.00 -0.08 H new ATOM 0 HG2 ARG A 93 -12.522 9.102 2.716 1.00 -0.10 H new ATOM 0 HG3 ARG A 93 -12.289 8.980 0.984 1.00 -0.10 H new ATOM 0 HD2 ARG A 93 -12.902 11.433 0.779 1.00 -0.23 H new ATOM 0 HD3 ARG A 93 -12.985 11.522 2.527 1.00 -0.23 H new ATOM 0 HE ARG A 93 -10.555 11.263 0.866 1.00 -0.32 H new ATOM 0 HH11 ARG A 93 -11.902 11.365 4.166 1.00 -0.62 H new ATOM 0 HH12 ARG A 93 -10.309 11.508 4.916 1.00 -0.62 H new ATOM 0 HH21 ARG A 93 -8.530 11.330 1.859 1.00 -0.62 H new ATOM 0 HH22 ARG A 93 -8.407 11.488 3.614 1.00 -0.62 H new ATOM 1521 N ALA A 94 -16.439 6.726 2.504 1.00 -0.46 N ATOM 1522 CA ALA A 94 -17.800 6.290 2.781 1.00 0.04 C ATOM 1523 C ALA A 94 -18.690 7.482 3.125 1.00 0.62 C ATOM 1524 O ALA A 94 -18.242 8.452 3.737 1.00 -0.50 O ATOM 1525 CB ALA A 94 -17.784 5.271 3.923 1.00 -0.10 C ATOM 0 H ALA A 94 -15.770 6.447 3.222 1.00 -0.46 H new ATOM 0 HA ALA A 94 -18.213 5.817 1.890 1.00 0.04 H new ATOM 0 HB1 ALA A 94 -18.802 4.943 4.132 1.00 -0.10 H new ATOM 0 HB2 ALA A 94 -17.178 4.412 3.636 1.00 -0.10 H new ATOM 0 HB3 ALA A 94 -17.360 5.731 4.816 1.00 -0.10 H new