USER MOD reduce.3.24.130724 H: found=0, std=0, add=752, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 751 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 ASN : amide:sc= -3.29 K(o=-5.7,f=-12!) USER MOD Set 1.2: A 96 GLN :FLIP amide:sc= -2.46! C(o=-6.8!,f=-5.7!) USER MOD Set 2.1: A 51 ASN :FLIP amide:sc= -2.3! F(o=-2.6,f=-1.4!) USER MOD Set 2.2: B -1 TYR OH : rot -52:sc= 0.861 USER MOD Single : A 19 LYS NZ :NH3+ -106:sc= -0.367 (180deg=-1.16) USER MOD Single : A 25 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.517) USER MOD Single : A 26 GLN : amide:sc=-0.00161 X(o=-0.0016,f=-0.0016) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 50:sc= 0.622 USER MOD Single : A 42 SER OG : rot 20:sc= 0.236 USER MOD Single : A 46 THR OG1 : rot -150:sc= -1.4! USER MOD Single : A 52 MET CE :methyl -177:sc= -1.76 (180deg=-1.77) USER MOD Single : A 53 MET CE :methyl -117:sc= -3.53! (180deg=-6.92!) USER MOD Single : A 54 HIS :FLIP no HE2:sc= -0.35 F(o=-1.2,f=-0.35) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 97:sc= -0.664! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.0043 X(o=-0.0043,f=0) USER MOD Single : A 69 GLN : amide:sc= -8.94! C(o=-8.9!,f=-19!) USER MOD Single : A 71 MET CE :methyl -133:sc= -8.72! (180deg=-17!) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.00382 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.0927 USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.22 USER MOD Single : A 86 CYS SG : rot 89:sc= -2.1! USER MOD Single : A 87 GLN :FLIP amide:sc= -0.956 F(o=-3.6,f=-0.96) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc=-0.00447 X(o=-0.0045,f=0) USER MOD Single : A 97 SER OG : rot -17:sc= 0.205! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN :FLIP amide:sc= -0.693 F(o=-1.3,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 17 -15.160 -9.291 -9.295 1.00 0.00 N ATOM 2 CA GLU A 17 -14.282 -8.796 -10.349 1.00 0.00 C ATOM 3 C GLU A 17 -13.417 -7.643 -9.854 1.00 0.00 C ATOM 4 O GLU A 17 -13.920 -6.678 -9.278 1.00 0.00 O ATOM 5 CB GLU A 17 -15.107 -8.346 -11.556 1.00 0.00 C ATOM 6 CG GLU A 17 -16.259 -7.424 -11.196 1.00 0.00 C ATOM 7 CD GLU A 17 -16.778 -6.646 -12.389 1.00 0.00 C ATOM 8 OE1 GLU A 17 -15.948 -6.133 -13.170 1.00 0.00 O ATOM 9 OE2 GLU A 17 -18.014 -6.546 -12.543 1.00 0.00 O ATOM 0 HA GLU A 17 -13.623 -9.612 -10.646 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -14.452 -7.837 -12.263 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -15.502 -9.226 -12.064 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -17.071 -8.013 -10.770 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -15.933 -6.725 -10.425 1.00 0.00 H new ATOM 16 N PHE A 18 -12.113 -7.748 -10.087 1.00 0.00 N ATOM 17 CA PHE A 18 -11.175 -6.712 -9.673 1.00 0.00 C ATOM 18 C PHE A 18 -11.441 -5.415 -10.418 1.00 0.00 C ATOM 19 O PHE A 18 -11.976 -5.424 -11.526 1.00 0.00 O ATOM 20 CB PHE A 18 -9.735 -7.157 -9.929 1.00 0.00 C ATOM 21 CG PHE A 18 -9.125 -7.905 -8.784 1.00 0.00 C ATOM 22 CD1 PHE A 18 -9.704 -9.071 -8.322 1.00 0.00 C ATOM 23 CD2 PHE A 18 -7.970 -7.443 -8.175 1.00 0.00 C ATOM 24 CE1 PHE A 18 -9.144 -9.771 -7.272 1.00 0.00 C ATOM 25 CE2 PHE A 18 -7.404 -8.137 -7.123 1.00 0.00 C ATOM 26 CZ PHE A 18 -7.992 -9.303 -6.672 1.00 0.00 C ATOM 0 H PHE A 18 -11.682 -8.541 -10.561 1.00 0.00 H new ATOM 0 HA PHE A 18 -11.315 -6.544 -8.605 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -9.711 -7.788 -10.818 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -9.125 -6.279 -10.145 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -10.606 -9.440 -8.788 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -7.508 -6.532 -8.526 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.606 -10.682 -6.921 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -6.504 -7.769 -6.654 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.551 -9.848 -5.851 1.00 0.00 H new ATOM 36 N LYS A 19 -11.059 -4.299 -9.812 1.00 0.00 N ATOM 37 CA LYS A 19 -11.255 -3.002 -10.435 1.00 0.00 C ATOM 38 C LYS A 19 -10.386 -1.934 -9.788 1.00 0.00 C ATOM 39 O LYS A 19 -10.431 -1.722 -8.574 1.00 0.00 O ATOM 40 CB LYS A 19 -12.726 -2.595 -10.362 1.00 0.00 C ATOM 41 CG LYS A 19 -13.280 -2.583 -8.948 1.00 0.00 C ATOM 42 CD LYS A 19 -13.513 -1.165 -8.450 1.00 0.00 C ATOM 43 CE LYS A 19 -14.501 -0.419 -9.332 1.00 0.00 C ATOM 44 NZ LYS A 19 -13.827 0.601 -10.183 1.00 0.00 N ATOM 0 H LYS A 19 -10.614 -4.268 -8.895 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.958 -3.089 -11.480 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.843 -1.603 -10.798 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -13.316 -3.282 -10.969 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -14.218 -3.138 -8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.586 -3.094 -8.280 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -13.888 -1.195 -7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -12.566 -0.626 -8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -15.029 -1.130 -9.967 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -15.250 0.067 -8.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.027 1.551 -9.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -12.800 0.436 -10.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -14.182 0.529 -11.158 1.00 0.00 H new ATOM 58 N ASP A 20 -9.602 -1.259 -10.619 1.00 0.00 N ATOM 59 CA ASP A 20 -8.718 -0.195 -10.157 1.00 0.00 C ATOM 60 C ASP A 20 -9.529 1.008 -9.691 1.00 0.00 C ATOM 61 O ASP A 20 -9.997 1.811 -10.498 1.00 0.00 O ATOM 62 CB ASP A 20 -7.760 0.222 -11.275 1.00 0.00 C ATOM 63 CG ASP A 20 -8.484 0.567 -12.559 1.00 0.00 C ATOM 64 OD1 ASP A 20 -8.778 -0.359 -13.343 1.00 0.00 O ATOM 65 OD2 ASP A 20 -8.757 1.765 -12.784 1.00 0.00 O ATOM 0 H ASP A 20 -9.560 -1.431 -11.624 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.137 -0.572 -9.316 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.177 1.083 -10.948 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -7.055 -0.587 -11.465 1.00 0.00 H new ATOM 70 N VAL A 21 -9.692 1.121 -8.378 1.00 0.00 N ATOM 71 CA VAL A 21 -10.447 2.215 -7.785 1.00 0.00 C ATOM 72 C VAL A 21 -9.589 3.465 -7.652 1.00 0.00 C ATOM 73 O VAL A 21 -8.650 3.503 -6.858 1.00 0.00 O ATOM 74 CB VAL A 21 -10.983 1.837 -6.392 1.00 0.00 C ATOM 75 CG1 VAL A 21 -11.906 2.923 -5.861 1.00 0.00 C ATOM 76 CG2 VAL A 21 -11.697 0.496 -6.438 1.00 0.00 C ATOM 0 H VAL A 21 -9.308 0.462 -7.701 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.285 2.416 -8.452 1.00 0.00 H new ATOM 0 HB VAL A 21 -10.136 1.747 -5.711 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -12.275 2.638 -4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -11.357 3.862 -5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -12.748 3.049 -6.541 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.068 0.247 -5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -12.534 0.553 -7.134 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.002 -0.275 -6.769 1.00 0.00 H new ATOM 86 N PHE A 22 -9.923 4.489 -8.427 1.00 0.00 N ATOM 87 CA PHE A 22 -9.185 5.740 -8.383 1.00 0.00 C ATOM 88 C PHE A 22 -10.037 6.848 -7.776 1.00 0.00 C ATOM 89 O PHE A 22 -10.947 7.370 -8.421 1.00 0.00 O ATOM 90 CB PHE A 22 -8.719 6.141 -9.786 1.00 0.00 C ATOM 91 CG PHE A 22 -7.351 6.776 -9.825 1.00 0.00 C ATOM 92 CD1 PHE A 22 -6.607 6.948 -8.666 1.00 0.00 C ATOM 93 CD2 PHE A 22 -6.808 7.199 -11.028 1.00 0.00 C ATOM 94 CE1 PHE A 22 -5.359 7.525 -8.708 1.00 0.00 C ATOM 95 CE2 PHE A 22 -5.554 7.779 -11.072 1.00 0.00 C ATOM 96 CZ PHE A 22 -4.832 7.941 -9.906 1.00 0.00 C ATOM 0 H PHE A 22 -10.698 4.476 -9.091 1.00 0.00 H new ATOM 0 HA PHE A 22 -8.308 5.593 -7.753 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -8.715 5.256 -10.422 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -9.442 6.836 -10.212 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -7.013 6.625 -7.719 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -7.371 7.074 -11.941 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.793 7.651 -7.797 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -5.140 8.104 -12.015 1.00 0.00 H new ATOM 0 HZ PHE A 22 -3.853 8.395 -9.936 1.00 0.00 H new ATOM 106 N ILE A 23 -9.736 7.197 -6.532 1.00 0.00 N ATOM 107 CA ILE A 23 -10.472 8.239 -5.829 1.00 0.00 C ATOM 108 C ILE A 23 -9.646 9.516 -5.726 1.00 0.00 C ATOM 109 O ILE A 23 -8.719 9.605 -4.923 1.00 0.00 O ATOM 110 CB ILE A 23 -10.871 7.778 -4.415 1.00 0.00 C ATOM 111 CG1 ILE A 23 -11.568 6.414 -4.482 1.00 0.00 C ATOM 112 CG2 ILE A 23 -11.759 8.816 -3.740 1.00 0.00 C ATOM 113 CD1 ILE A 23 -13.054 6.493 -4.772 1.00 0.00 C ATOM 0 H ILE A 23 -8.985 6.772 -5.988 1.00 0.00 H new ATOM 0 HA ILE A 23 -11.375 8.442 -6.405 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.968 7.672 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.090 5.811 -5.254 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -11.420 5.895 -3.535 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.029 8.470 -2.742 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.221 9.761 -3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -12.663 8.961 -4.331 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -13.473 5.487 -4.803 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -13.548 7.067 -3.988 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -13.212 6.981 -5.734 1.00 0.00 H new ATOM 125 N GLU A 24 -9.989 10.502 -6.548 1.00 0.00 N ATOM 126 CA GLU A 24 -9.279 11.774 -6.550 1.00 0.00 C ATOM 127 C GLU A 24 -9.826 12.696 -5.466 1.00 0.00 C ATOM 128 O GLU A 24 -10.953 13.182 -5.561 1.00 0.00 O ATOM 129 CB GLU A 24 -9.396 12.451 -7.918 1.00 0.00 C ATOM 130 CG GLU A 24 -9.255 11.489 -9.089 1.00 0.00 C ATOM 131 CD GLU A 24 -10.498 11.439 -9.957 1.00 0.00 C ATOM 132 OE1 GLU A 24 -11.534 10.928 -9.481 1.00 0.00 O ATOM 133 OE2 GLU A 24 -10.434 11.911 -11.112 1.00 0.00 O ATOM 0 H GLU A 24 -10.754 10.444 -7.221 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.227 11.576 -6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.362 12.952 -7.985 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.630 13.223 -7.999 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.402 11.788 -9.699 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.041 10.490 -8.710 1.00 0.00 H new ATOM 140 N LYS A 25 -9.022 12.928 -4.435 1.00 0.00 N ATOM 141 CA LYS A 25 -9.428 13.786 -3.327 1.00 0.00 C ATOM 142 C LYS A 25 -8.322 14.772 -2.969 1.00 0.00 C ATOM 143 O LYS A 25 -7.323 14.881 -3.677 1.00 0.00 O ATOM 144 CB LYS A 25 -9.791 12.941 -2.100 1.00 0.00 C ATOM 145 CG LYS A 25 -9.103 11.584 -2.055 1.00 0.00 C ATOM 146 CD LYS A 25 -7.615 11.724 -1.777 1.00 0.00 C ATOM 147 CE LYS A 25 -7.310 11.585 -0.294 1.00 0.00 C ATOM 148 NZ LYS A 25 -6.052 10.827 -0.053 1.00 0.00 N ATOM 0 H LYS A 25 -8.086 12.534 -4.343 1.00 0.00 H new ATOM 0 HA LYS A 25 -10.306 14.350 -3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.532 13.498 -1.199 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.870 12.790 -2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.562 10.967 -1.282 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.250 11.068 -3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.067 10.965 -2.335 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -7.267 12.694 -2.132 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.228 12.575 0.154 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -8.139 11.079 0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -5.672 11.074 0.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -6.249 9.807 -0.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.354 11.070 -0.785 1.00 0.00 H new ATOM 162 N GLN A 26 -8.507 15.483 -1.861 1.00 0.00 N ATOM 163 CA GLN A 26 -7.524 16.452 -1.403 1.00 0.00 C ATOM 164 C GLN A 26 -6.880 15.977 -0.107 1.00 0.00 C ATOM 165 O GLN A 26 -7.366 15.044 0.532 1.00 0.00 O ATOM 166 CB GLN A 26 -8.178 17.819 -1.193 1.00 0.00 C ATOM 167 CG GLN A 26 -8.165 18.697 -2.433 1.00 0.00 C ATOM 168 CD GLN A 26 -9.112 18.202 -3.509 1.00 0.00 C ATOM 169 OE1 GLN A 26 -8.682 17.751 -4.570 1.00 0.00 O ATOM 170 NE2 GLN A 26 -10.409 18.286 -3.238 1.00 0.00 N ATOM 0 H GLN A 26 -9.331 15.404 -1.265 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.752 16.548 -2.167 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.209 17.673 -0.872 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.663 18.338 -0.385 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.437 19.715 -2.155 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.153 18.736 -2.835 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.720 18.667 -2.344 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.095 17.969 -3.923 1.00 0.00 H new ATOM 179 N LYS A 27 -5.784 16.618 0.278 1.00 0.00 N ATOM 180 CA LYS A 27 -5.083 16.250 1.500 1.00 0.00 C ATOM 181 C LYS A 27 -5.951 16.518 2.720 1.00 0.00 C ATOM 182 O LYS A 27 -6.888 17.314 2.668 1.00 0.00 O ATOM 183 CB LYS A 27 -3.766 17.021 1.616 1.00 0.00 C ATOM 184 CG LYS A 27 -3.030 17.166 0.296 1.00 0.00 C ATOM 185 CD LYS A 27 -1.523 17.157 0.495 1.00 0.00 C ATOM 186 CE LYS A 27 -0.823 16.359 -0.594 1.00 0.00 C ATOM 187 NZ LYS A 27 -0.200 17.244 -1.615 1.00 0.00 N ATOM 0 H LYS A 27 -5.363 17.392 -0.236 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.864 15.183 1.456 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.969 18.013 2.020 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.118 16.512 2.330 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.315 16.353 -0.372 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.329 18.096 -0.188 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.149 18.181 0.495 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.286 16.731 1.470 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.057 15.727 -0.145 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.541 15.696 -1.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.267 16.663 -2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.934 17.830 -2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.503 17.859 -1.159 1.00 0.00 H new ATOM 201 N GLY A 28 -5.635 15.842 3.816 1.00 0.00 N ATOM 202 CA GLY A 28 -6.399 16.015 5.034 1.00 0.00 C ATOM 203 C GLY A 28 -7.843 15.574 4.881 1.00 0.00 C ATOM 204 O GLY A 28 -8.695 15.937 5.691 1.00 0.00 O ATOM 0 H GLY A 28 -4.864 15.178 3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.931 15.445 5.837 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.372 17.064 5.330 1.00 0.00 H new ATOM 208 N GLU A 29 -8.121 14.781 3.846 1.00 0.00 N ATOM 209 CA GLU A 29 -9.470 14.290 3.610 1.00 0.00 C ATOM 210 C GLU A 29 -9.468 12.776 3.475 1.00 0.00 C ATOM 211 O GLU A 29 -10.310 12.202 2.786 1.00 0.00 O ATOM 212 CB GLU A 29 -10.072 14.935 2.360 1.00 0.00 C ATOM 213 CG GLU A 29 -10.724 16.282 2.626 1.00 0.00 C ATOM 214 CD GLU A 29 -10.275 17.352 1.651 1.00 0.00 C ATOM 215 OE1 GLU A 29 -9.202 17.951 1.879 1.00 0.00 O ATOM 216 OE2 GLU A 29 -10.995 17.593 0.660 1.00 0.00 O ATOM 0 H GLU A 29 -7.431 14.469 3.163 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.086 14.563 4.467 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.288 15.061 1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.813 14.259 1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.807 16.175 2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.489 16.600 3.642 1.00 0.00 H new ATOM 223 N ILE A 30 -8.514 12.155 4.162 1.00 0.00 N ATOM 224 CA ILE A 30 -8.344 10.696 4.183 1.00 0.00 C ATOM 225 C ILE A 30 -8.962 10.002 2.967 1.00 0.00 C ATOM 226 O ILE A 30 -8.270 9.683 2.001 1.00 0.00 O ATOM 227 CB ILE A 30 -8.938 10.072 5.465 1.00 0.00 C ATOM 228 CG1 ILE A 30 -9.745 11.098 6.256 1.00 0.00 C ATOM 229 CG2 ILE A 30 -7.841 9.483 6.335 1.00 0.00 C ATOM 230 CD1 ILE A 30 -10.715 10.463 7.222 1.00 0.00 C ATOM 0 H ILE A 30 -7.826 12.652 4.728 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.266 10.534 4.158 1.00 0.00 H new ATOM 0 HB ILE A 30 -9.611 9.270 5.161 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.061 11.744 6.807 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -10.295 11.734 5.562 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -8.282 9.049 7.232 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -7.312 8.708 5.779 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.140 10.268 6.618 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -11.260 11.242 7.755 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -11.420 9.839 6.673 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.167 9.849 7.937 1.00 0.00 H new ATOM 242 N LEU A 31 -10.268 9.766 3.040 1.00 0.00 N ATOM 243 CA LEU A 31 -11.009 9.102 1.973 1.00 0.00 C ATOM 244 C LEU A 31 -12.452 8.871 2.414 1.00 0.00 C ATOM 245 O LEU A 31 -13.390 9.051 1.637 1.00 0.00 O ATOM 246 CB LEU A 31 -10.357 7.763 1.615 1.00 0.00 C ATOM 247 CG LEU A 31 -11.002 7.022 0.443 1.00 0.00 C ATOM 248 CD1 LEU A 31 -10.576 7.645 -0.878 1.00 0.00 C ATOM 249 CD2 LEU A 31 -10.634 5.547 0.480 1.00 0.00 C ATOM 0 H LEU A 31 -10.843 10.030 3.840 1.00 0.00 H new ATOM 0 HA LEU A 31 -10.996 9.742 1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.307 7.939 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.384 7.117 2.493 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.085 7.109 0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.044 7.106 -1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.887 8.689 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.492 7.586 -0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -11.101 5.034 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.551 5.440 0.414 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.985 5.108 1.414 1.00 0.00 H new ATOM 261 N GLY A 32 -12.614 8.487 3.678 1.00 0.00 N ATOM 262 CA GLY A 32 -13.937 8.254 4.224 1.00 0.00 C ATOM 263 C GLY A 32 -14.440 6.835 4.028 1.00 0.00 C ATOM 264 O GLY A 32 -15.448 6.622 3.354 1.00 0.00 O ATOM 0 H GLY A 32 -11.849 8.333 4.334 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.925 8.481 5.290 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -14.639 8.946 3.758 1.00 0.00 H new ATOM 268 N VAL A 33 -13.759 5.859 4.629 1.00 0.00 N ATOM 269 CA VAL A 33 -14.183 4.462 4.515 1.00 0.00 C ATOM 270 C VAL A 33 -13.746 3.636 5.724 1.00 0.00 C ATOM 271 O VAL A 33 -12.784 3.978 6.409 1.00 0.00 O ATOM 272 CB VAL A 33 -13.684 3.789 3.203 1.00 0.00 C ATOM 273 CG1 VAL A 33 -13.505 4.820 2.099 1.00 0.00 C ATOM 274 CG2 VAL A 33 -12.392 3.007 3.419 1.00 0.00 C ATOM 0 H VAL A 33 -12.922 6.006 5.193 1.00 0.00 H new ATOM 0 HA VAL A 33 -15.272 4.485 4.483 1.00 0.00 H new ATOM 0 HB VAL A 33 -14.451 3.078 2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -13.156 4.326 1.193 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -14.458 5.310 1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -12.773 5.564 2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -12.079 2.554 2.478 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -11.613 3.682 3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -12.559 2.226 4.160 1.00 0.00 H new ATOM 284 N VAL A 34 -14.461 2.544 5.971 1.00 0.00 N ATOM 285 CA VAL A 34 -14.151 1.657 7.087 1.00 0.00 C ATOM 286 C VAL A 34 -13.987 0.224 6.602 1.00 0.00 C ATOM 287 O VAL A 34 -14.928 -0.384 6.092 1.00 0.00 O ATOM 288 CB VAL A 34 -15.237 1.701 8.174 1.00 0.00 C ATOM 289 CG1 VAL A 34 -14.812 0.884 9.385 1.00 0.00 C ATOM 290 CG2 VAL A 34 -15.536 3.138 8.569 1.00 0.00 C ATOM 0 H VAL A 34 -15.262 2.251 5.412 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.215 2.009 7.521 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.150 1.262 7.771 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -15.593 0.926 10.145 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -14.652 -0.152 9.087 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -13.887 1.292 9.792 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -16.307 3.151 9.339 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.630 3.605 8.955 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -15.886 3.690 7.697 1.00 0.00 H new ATOM 300 N ILE A 35 -12.783 -0.303 6.762 1.00 0.00 N ATOM 301 CA ILE A 35 -12.477 -1.657 6.340 1.00 0.00 C ATOM 302 C ILE A 35 -12.426 -2.611 7.525 1.00 0.00 C ATOM 303 O ILE A 35 -12.121 -2.210 8.648 1.00 0.00 O ATOM 304 CB ILE A 35 -11.141 -1.719 5.585 1.00 0.00 C ATOM 305 CG1 ILE A 35 -10.086 -0.869 6.287 1.00 0.00 C ATOM 306 CG2 ILE A 35 -11.321 -1.270 4.144 1.00 0.00 C ATOM 307 CD1 ILE A 35 -8.700 -1.455 6.194 1.00 0.00 C ATOM 0 H ILE A 35 -11.998 0.192 7.185 1.00 0.00 H new ATOM 0 HA ILE A 35 -13.280 -1.965 5.670 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.797 -2.753 5.581 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.082 0.130 5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.357 -0.757 7.337 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -10.364 -1.321 3.625 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.039 -1.922 3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -11.690 -0.244 4.126 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -7.995 -0.805 6.712 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.691 -2.442 6.656 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.411 -1.542 5.147 1.00 0.00 H new ATOM 319 N VAL A 36 -12.728 -3.877 7.265 1.00 0.00 N ATOM 320 CA VAL A 36 -12.719 -4.897 8.305 1.00 0.00 C ATOM 321 C VAL A 36 -12.133 -6.203 7.781 1.00 0.00 C ATOM 322 O VAL A 36 -11.942 -6.369 6.576 1.00 0.00 O ATOM 323 CB VAL A 36 -14.138 -5.163 8.844 1.00 0.00 C ATOM 324 CG1 VAL A 36 -14.696 -3.917 9.516 1.00 0.00 C ATOM 325 CG2 VAL A 36 -15.057 -5.631 7.726 1.00 0.00 C ATOM 0 H VAL A 36 -12.983 -4.222 6.340 1.00 0.00 H new ATOM 0 HA VAL A 36 -12.097 -4.520 9.117 1.00 0.00 H new ATOM 0 HB VAL A 36 -14.080 -5.956 9.590 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -15.699 -4.124 9.890 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -14.050 -3.631 10.346 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -14.739 -3.102 8.793 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -16.054 -5.813 8.127 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.111 -4.863 6.954 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.665 -6.552 7.295 1.00 0.00 H new ATOM 335 N GLU A 37 -11.847 -7.130 8.690 1.00 0.00 N ATOM 336 CA GLU A 37 -11.285 -8.422 8.313 1.00 0.00 C ATOM 337 C GLU A 37 -12.206 -9.155 7.345 1.00 0.00 C ATOM 338 O GLU A 37 -13.414 -9.249 7.569 1.00 0.00 O ATOM 339 CB GLU A 37 -11.036 -9.277 9.555 1.00 0.00 C ATOM 340 CG GLU A 37 -9.759 -8.916 10.292 1.00 0.00 C ATOM 341 CD GLU A 37 -9.368 -9.953 11.326 1.00 0.00 C ATOM 342 OE1 GLU A 37 -10.049 -10.039 12.369 1.00 0.00 O ATOM 343 OE2 GLU A 37 -8.380 -10.682 11.091 1.00 0.00 O ATOM 0 H GLU A 37 -11.995 -7.011 9.692 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.334 -8.244 7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.881 -9.171 10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.993 -10.326 9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.948 -8.803 9.572 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.887 -7.951 10.782 1.00 0.00 H new ATOM 350 N SER A 38 -11.625 -9.667 6.265 1.00 0.00 N ATOM 351 CA SER A 38 -12.385 -10.388 5.250 1.00 0.00 C ATOM 352 C SER A 38 -12.787 -11.778 5.737 1.00 0.00 C ATOM 353 O SER A 38 -12.111 -12.766 5.453 1.00 0.00 O ATOM 354 CB SER A 38 -11.564 -10.498 3.967 1.00 0.00 C ATOM 355 OG SER A 38 -10.517 -11.443 4.107 1.00 0.00 O ATOM 0 H SER A 38 -10.626 -9.596 6.070 1.00 0.00 H new ATOM 0 HA SER A 38 -13.298 -9.828 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.213 -10.790 3.141 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.146 -9.523 3.715 1.00 0.00 H new ATOM 0 HG SER A 38 -10.878 -12.280 4.466 1.00 0.00 H new ATOM 361 N GLY A 39 -13.896 -11.845 6.468 1.00 0.00 N ATOM 362 CA GLY A 39 -14.374 -13.119 6.977 1.00 0.00 C ATOM 363 C GLY A 39 -15.183 -13.901 5.960 1.00 0.00 C ATOM 364 O GLY A 39 -15.495 -15.071 6.174 1.00 0.00 O ATOM 0 H GLY A 39 -14.472 -11.041 6.717 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.521 -13.720 7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -14.986 -12.943 7.862 1.00 0.00 H new ATOM 368 N TRP A 40 -15.511 -13.254 4.845 1.00 0.00 N ATOM 369 CA TRP A 40 -16.274 -13.888 3.774 1.00 0.00 C ATOM 370 C TRP A 40 -15.580 -15.173 3.311 1.00 0.00 C ATOM 371 O TRP A 40 -14.722 -15.711 4.010 1.00 0.00 O ATOM 372 CB TRP A 40 -16.396 -12.914 2.602 1.00 0.00 C ATOM 373 CG TRP A 40 -15.072 -12.613 1.967 1.00 0.00 C ATOM 374 CD1 TRP A 40 -13.850 -12.632 2.579 1.00 0.00 C ATOM 375 CD2 TRP A 40 -14.831 -12.258 0.602 1.00 0.00 C ATOM 376 NE1 TRP A 40 -12.868 -12.323 1.676 1.00 0.00 N ATOM 377 CE2 TRP A 40 -13.441 -12.085 0.459 1.00 0.00 C ATOM 378 CE3 TRP A 40 -15.650 -12.069 -0.514 1.00 0.00 C ATOM 379 CZ2 TRP A 40 -12.854 -11.738 -0.747 1.00 0.00 C ATOM 380 CZ3 TRP A 40 -15.064 -11.721 -1.716 1.00 0.00 C ATOM 381 CH2 TRP A 40 -13.676 -11.559 -1.826 1.00 0.00 C ATOM 0 H TRP A 40 -15.258 -12.284 4.659 1.00 0.00 H new ATOM 0 HA TRP A 40 -17.266 -14.146 4.145 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -17.068 -13.334 1.853 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -16.848 -11.985 2.951 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -13.683 -12.858 3.622 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -11.869 -12.278 1.879 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -16.720 -12.192 -0.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -11.785 -11.613 -0.832 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -15.686 -11.571 -2.586 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -13.248 -11.288 -2.780 1.00 0.00 H new ATOM 392 N GLY A 41 -15.934 -15.653 2.118 1.00 0.00 N ATOM 393 CA GLY A 41 -15.304 -16.856 1.594 1.00 0.00 C ATOM 394 C GLY A 41 -13.790 -16.781 1.676 1.00 0.00 C ATOM 395 O GLY A 41 -13.109 -17.802 1.752 1.00 0.00 O ATOM 0 H GLY A 41 -16.639 -15.235 1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -15.656 -17.723 2.153 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -15.605 -17.002 0.557 1.00 0.00 H new ATOM 399 N SER A 42 -13.273 -15.552 1.668 1.00 0.00 N ATOM 400 CA SER A 42 -11.839 -15.294 1.750 1.00 0.00 C ATOM 401 C SER A 42 -11.168 -15.469 0.409 1.00 0.00 C ATOM 402 O SER A 42 -10.020 -15.905 0.321 1.00 0.00 O ATOM 403 CB SER A 42 -11.161 -16.177 2.797 1.00 0.00 C ATOM 404 OG SER A 42 -11.869 -16.161 4.025 1.00 0.00 O ATOM 0 H SER A 42 -13.840 -14.707 1.604 1.00 0.00 H new ATOM 0 HA SER A 42 -11.726 -14.255 2.060 1.00 0.00 H new ATOM 0 HB2 SER A 42 -11.097 -17.200 2.426 1.00 0.00 H new ATOM 0 HB3 SER A 42 -10.140 -15.832 2.960 1.00 0.00 H new ATOM 0 HG SER A 42 -12.787 -15.856 3.869 1.00 0.00 H new ATOM 410 N ILE A 43 -11.882 -15.088 -0.630 1.00 0.00 N ATOM 411 CA ILE A 43 -11.363 -15.153 -1.977 1.00 0.00 C ATOM 412 C ILE A 43 -9.979 -14.513 -2.036 1.00 0.00 C ATOM 413 O ILE A 43 -9.070 -15.002 -2.707 1.00 0.00 O ATOM 414 CB ILE A 43 -12.312 -14.415 -2.915 1.00 0.00 C ATOM 415 CG1 ILE A 43 -13.672 -15.104 -2.917 1.00 0.00 C ATOM 416 CG2 ILE A 43 -11.732 -14.335 -4.303 1.00 0.00 C ATOM 417 CD1 ILE A 43 -14.774 -14.244 -3.480 1.00 0.00 C ATOM 0 H ILE A 43 -12.833 -14.727 -0.564 1.00 0.00 H new ATOM 0 HA ILE A 43 -11.281 -16.196 -2.283 1.00 0.00 H new ATOM 0 HB ILE A 43 -12.445 -13.393 -2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -13.605 -16.024 -3.498 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -13.929 -15.390 -1.897 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.425 -13.805 -4.957 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.783 -13.801 -4.270 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -11.569 -15.342 -4.688 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -15.715 -14.794 -3.452 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -14.867 -13.336 -2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -14.538 -13.979 -4.511 1.00 0.00 H new ATOM 429 N LEU A 44 -9.844 -13.416 -1.301 1.00 0.00 N ATOM 430 CA LEU A 44 -8.600 -12.666 -1.212 1.00 0.00 C ATOM 431 C LEU A 44 -8.465 -12.087 0.196 1.00 0.00 C ATOM 432 O LEU A 44 -8.904 -10.968 0.456 1.00 0.00 O ATOM 433 CB LEU A 44 -8.584 -11.538 -2.246 1.00 0.00 C ATOM 434 CG LEU A 44 -8.705 -11.991 -3.705 1.00 0.00 C ATOM 435 CD1 LEU A 44 -9.744 -11.160 -4.443 1.00 0.00 C ATOM 436 CD2 LEU A 44 -7.356 -11.903 -4.406 1.00 0.00 C ATOM 0 H LEU A 44 -10.602 -13.020 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.762 -13.332 -1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.402 -10.853 -2.026 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.658 -10.975 -2.132 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.031 -13.031 -3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -9.813 -11.499 -5.477 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -10.713 -11.275 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.451 -10.110 -4.424 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.462 -12.229 -5.441 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.001 -10.873 -4.384 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.638 -12.545 -3.895 1.00 0.00 H new ATOM 448 N PRO A 45 -7.883 -12.853 1.136 1.00 0.00 N ATOM 449 CA PRO A 45 -7.723 -12.421 2.527 1.00 0.00 C ATOM 450 C PRO A 45 -7.094 -11.036 2.661 1.00 0.00 C ATOM 451 O PRO A 45 -5.875 -10.909 2.763 1.00 0.00 O ATOM 452 CB PRO A 45 -6.803 -13.486 3.146 1.00 0.00 C ATOM 453 CG PRO A 45 -6.320 -14.324 2.007 1.00 0.00 C ATOM 454 CD PRO A 45 -7.359 -14.209 0.930 1.00 0.00 C ATOM 0 HA PRO A 45 -8.691 -12.334 3.020 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.968 -13.023 3.671 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.342 -14.091 3.875 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -5.351 -13.975 1.651 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -6.192 -15.362 2.315 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -6.928 -14.331 -0.064 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.137 -14.965 1.035 1.00 0.00 H new ATOM 462 N THR A 46 -7.936 -10.004 2.687 1.00 0.00 N ATOM 463 CA THR A 46 -7.455 -8.635 2.836 1.00 0.00 C ATOM 464 C THR A 46 -8.345 -7.847 3.805 1.00 0.00 C ATOM 465 O THR A 46 -8.113 -7.856 5.013 1.00 0.00 O ATOM 466 CB THR A 46 -7.373 -7.927 1.477 1.00 0.00 C ATOM 467 OG1 THR A 46 -7.463 -6.524 1.639 1.00 0.00 O ATOM 468 CG2 THR A 46 -8.452 -8.345 0.501 1.00 0.00 C ATOM 0 H THR A 46 -8.949 -10.091 2.607 1.00 0.00 H new ATOM 0 HA THR A 46 -6.449 -8.678 3.254 1.00 0.00 H new ATOM 0 HB THR A 46 -6.408 -8.222 1.064 1.00 0.00 H new ATOM 0 HG1 THR A 46 -7.875 -6.128 0.842 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.326 -7.801 -0.435 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.376 -9.416 0.311 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.431 -8.120 0.923 1.00 0.00 H new ATOM 476 N VAL A 47 -9.364 -7.170 3.274 1.00 0.00 N ATOM 477 CA VAL A 47 -10.280 -6.388 4.100 1.00 0.00 C ATOM 478 C VAL A 47 -11.603 -6.160 3.377 1.00 0.00 C ATOM 479 O VAL A 47 -11.716 -6.420 2.179 1.00 0.00 O ATOM 480 CB VAL A 47 -9.678 -5.025 4.493 1.00 0.00 C ATOM 481 CG1 VAL A 47 -8.872 -5.146 5.777 1.00 0.00 C ATOM 482 CG2 VAL A 47 -8.821 -4.463 3.368 1.00 0.00 C ATOM 0 H VAL A 47 -9.574 -7.148 2.276 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.454 -6.965 5.008 1.00 0.00 H new ATOM 0 HB VAL A 47 -10.499 -4.330 4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.455 -4.173 6.038 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.520 -5.491 6.582 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -8.062 -5.861 5.632 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.408 -3.501 3.671 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -8.007 -5.155 3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.433 -4.330 2.476 1.00 0.00 H new ATOM 492 N ILE A 48 -12.608 -5.687 4.110 1.00 0.00 N ATOM 493 CA ILE A 48 -13.925 -5.444 3.525 1.00 0.00 C ATOM 494 C ILE A 48 -14.472 -4.067 3.878 1.00 0.00 C ATOM 495 O ILE A 48 -14.506 -3.686 5.048 1.00 0.00 O ATOM 496 CB ILE A 48 -14.967 -6.488 3.988 1.00 0.00 C ATOM 497 CG1 ILE A 48 -14.323 -7.601 4.812 1.00 0.00 C ATOM 498 CG2 ILE A 48 -15.692 -7.073 2.794 1.00 0.00 C ATOM 499 CD1 ILE A 48 -15.332 -8.475 5.525 1.00 0.00 C ATOM 0 H ILE A 48 -12.537 -5.466 5.103 1.00 0.00 H new ATOM 0 HA ILE A 48 -13.772 -5.516 2.448 1.00 0.00 H new ATOM 0 HB ILE A 48 -15.686 -5.975 4.627 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -13.712 -8.222 4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -13.652 -7.158 5.548 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -16.422 -7.806 3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -16.203 -6.277 2.253 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -14.973 -7.557 2.133 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -14.810 -9.245 6.092 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -15.926 -7.864 6.205 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -15.988 -8.946 4.792 1.00 0.00 H new ATOM 511 N ILE A 49 -14.944 -3.339 2.868 1.00 0.00 N ATOM 512 CA ILE A 49 -15.532 -2.040 3.089 1.00 0.00 C ATOM 513 C ILE A 49 -16.836 -2.207 3.838 1.00 0.00 C ATOM 514 O ILE A 49 -17.886 -2.458 3.249 1.00 0.00 O ATOM 515 CB ILE A 49 -15.782 -1.322 1.760 1.00 0.00 C ATOM 516 CG1 ILE A 49 -14.463 -1.181 1.010 1.00 0.00 C ATOM 517 CG2 ILE A 49 -16.424 0.033 1.992 1.00 0.00 C ATOM 518 CD1 ILE A 49 -14.594 -0.457 -0.304 1.00 0.00 C ATOM 0 H ILE A 49 -14.926 -3.635 1.892 1.00 0.00 H new ATOM 0 HA ILE A 49 -14.842 -1.435 3.677 1.00 0.00 H new ATOM 0 HB ILE A 49 -16.473 -1.911 1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.751 -0.648 1.640 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -14.049 -2.173 0.830 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.592 0.525 1.034 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -17.377 -0.099 2.504 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -15.765 0.648 2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -13.617 -0.393 -0.783 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -15.281 -1.001 -0.952 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -14.979 0.548 -0.129 1.00 0.00 H new ATOM 530 N ALA A 50 -16.744 -2.101 5.147 1.00 0.00 N ATOM 531 CA ALA A 50 -17.892 -2.274 6.011 1.00 0.00 C ATOM 532 C ALA A 50 -18.568 -0.945 6.342 1.00 0.00 C ATOM 533 O ALA A 50 -19.586 -0.916 7.034 1.00 0.00 O ATOM 534 CB ALA A 50 -17.446 -2.987 7.269 1.00 0.00 C ATOM 0 H ALA A 50 -15.875 -1.893 5.640 1.00 0.00 H new ATOM 0 HA ALA A 50 -18.638 -2.873 5.490 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -18.301 -3.125 7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -17.029 -3.959 7.008 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -16.687 -2.391 7.776 1.00 0.00 H new ATOM 540 N ASN A 51 -18.007 0.150 5.843 1.00 0.00 N ATOM 541 CA ASN A 51 -18.571 1.471 6.085 1.00 0.00 C ATOM 542 C ASN A 51 -17.888 2.514 5.208 1.00 0.00 C ATOM 543 O ASN A 51 -16.733 2.350 4.822 1.00 0.00 O ATOM 544 CB ASN A 51 -18.434 1.848 7.561 1.00 0.00 C ATOM 545 CG ASN A 51 -19.755 2.259 8.183 1.00 0.00 C ATOM 546 OD1 ASN A 51 -19.721 2.612 9.462 1.00 0.00 O flip ATOM 547 ND2 ASN A 51 -20.793 2.260 7.522 1.00 0.00 N flip ATOM 0 H ASN A 51 -17.164 0.149 5.269 1.00 0.00 H new ATOM 0 HA ASN A 51 -19.630 1.444 5.829 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -18.025 1.001 8.112 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -17.721 2.666 7.658 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -20.773 1.981 6.541 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -21.673 2.540 7.955 1.00 0.00 H new ATOM 554 N MET A 52 -18.609 3.585 4.890 1.00 0.00 N ATOM 555 CA MET A 52 -18.060 4.643 4.054 1.00 0.00 C ATOM 556 C MET A 52 -18.609 6.007 4.450 1.00 0.00 C ATOM 557 O MET A 52 -19.817 6.236 4.425 1.00 0.00 O ATOM 558 CB MET A 52 -18.352 4.364 2.581 1.00 0.00 C ATOM 559 CG MET A 52 -17.122 3.957 1.785 1.00 0.00 C ATOM 560 SD MET A 52 -17.475 3.724 0.031 1.00 0.00 S ATOM 561 CE MET A 52 -19.100 2.976 0.114 1.00 0.00 C ATOM 0 H MET A 52 -19.569 3.741 5.197 1.00 0.00 H new ATOM 0 HA MET A 52 -16.981 4.659 4.205 1.00 0.00 H new ATOM 0 HB2 MET A 52 -19.099 3.573 2.510 1.00 0.00 H new ATOM 0 HB3 MET A 52 -18.788 5.255 2.130 1.00 0.00 H new ATOM 0 HG2 MET A 52 -16.352 4.720 1.898 1.00 0.00 H new ATOM 0 HG3 MET A 52 -16.718 3.032 2.196 1.00 0.00 H new ATOM 0 HE1 MET A 52 -19.435 2.722 -0.891 1.00 0.00 H new ATOM 0 HE2 MET A 52 -19.054 2.072 0.721 1.00 0.00 H new ATOM 0 HE3 MET A 52 -19.802 3.679 0.563 1.00 0.00 H new ATOM 571 N MET A 53 -17.704 6.914 4.812 1.00 0.00 N ATOM 572 CA MET A 53 -18.082 8.263 5.212 1.00 0.00 C ATOM 573 C MET A 53 -18.931 8.925 4.132 1.00 0.00 C ATOM 574 O MET A 53 -18.403 9.558 3.217 1.00 0.00 O ATOM 575 CB MET A 53 -16.827 9.102 5.481 1.00 0.00 C ATOM 576 CG MET A 53 -16.929 9.980 6.718 1.00 0.00 C ATOM 577 SD MET A 53 -15.667 9.602 7.952 1.00 0.00 S ATOM 578 CE MET A 53 -14.177 10.097 7.087 1.00 0.00 C ATOM 0 H MET A 53 -16.700 6.736 4.836 1.00 0.00 H new ATOM 0 HA MET A 53 -18.672 8.200 6.126 1.00 0.00 H new ATOM 0 HB2 MET A 53 -15.972 8.435 5.590 1.00 0.00 H new ATOM 0 HB3 MET A 53 -16.631 9.733 4.614 1.00 0.00 H new ATOM 0 HG2 MET A 53 -16.841 11.026 6.424 1.00 0.00 H new ATOM 0 HG3 MET A 53 -17.916 9.857 7.165 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.537 9.227 6.938 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.442 10.522 6.119 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.644 10.843 7.677 1.00 0.00 H new ATOM 588 N HIS A 54 -20.247 8.768 4.239 1.00 0.00 N ATOM 589 CA HIS A 54 -21.171 9.344 3.269 1.00 0.00 C ATOM 590 C HIS A 54 -21.024 10.859 3.206 1.00 0.00 C ATOM 591 O HIS A 54 -21.784 11.594 3.836 1.00 0.00 O ATOM 592 CB HIS A 54 -22.612 8.974 3.626 1.00 0.00 C ATOM 593 CG HIS A 54 -22.900 7.511 3.513 1.00 0.00 C ATOM 594 ND1 HIS A 54 -22.574 6.476 4.326 1.00 0.00 N flip ATOM 595 CD2 HIS A 54 -23.607 6.962 2.463 1.00 0.00 C flip ATOM 596 CE1 HIS A 54 -23.086 5.335 3.758 1.00 0.00 C flip ATOM 597 NE2 HIS A 54 -23.705 5.655 2.636 1.00 0.00 N flip ATOM 0 H HIS A 54 -20.698 8.245 4.990 1.00 0.00 H new ATOM 0 HA HIS A 54 -20.929 8.935 2.288 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.820 9.299 4.645 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -23.291 9.521 2.972 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -22.047 6.534 5.197 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -24.016 7.514 1.630 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -22.997 4.338 4.163 1.00 0.00 H new ATOM 606 N GLY A 55 -20.040 11.321 2.442 1.00 0.00 N ATOM 607 CA GLY A 55 -19.809 12.746 2.313 1.00 0.00 C ATOM 608 C GLY A 55 -18.434 13.048 1.763 1.00 0.00 C ATOM 609 O GLY A 55 -18.233 14.056 1.083 1.00 0.00 O ATOM 0 H GLY A 55 -19.399 10.733 1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -20.565 13.178 1.657 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.923 13.222 3.287 1.00 0.00 H new ATOM 613 N GLY A 56 -17.484 12.166 2.052 1.00 0.00 N ATOM 614 CA GLY A 56 -16.133 12.349 1.570 1.00 0.00 C ATOM 615 C GLY A 56 -15.983 11.928 0.121 1.00 0.00 C ATOM 616 O GLY A 56 -16.978 11.727 -0.573 1.00 0.00 O ATOM 0 H GLY A 56 -17.629 11.326 2.613 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -15.850 13.397 1.674 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -15.446 11.771 2.188 1.00 0.00 H new ATOM 620 N PRO A 57 -14.742 11.785 -0.368 1.00 0.00 N ATOM 621 CA PRO A 57 -14.479 11.383 -1.753 1.00 0.00 C ATOM 622 C PRO A 57 -14.859 9.931 -2.027 1.00 0.00 C ATOM 623 O PRO A 57 -14.977 9.522 -3.182 1.00 0.00 O ATOM 624 CB PRO A 57 -12.969 11.574 -1.897 1.00 0.00 C ATOM 625 CG PRO A 57 -12.438 11.437 -0.513 1.00 0.00 C ATOM 626 CD PRO A 57 -13.497 12.002 0.391 1.00 0.00 C ATOM 0 HA PRO A 57 -15.069 11.966 -2.461 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -12.537 10.827 -2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -12.732 12.551 -2.317 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -12.236 10.393 -0.273 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -11.498 11.978 -0.400 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -13.519 11.491 1.354 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.329 13.060 0.595 1.00 0.00 H new ATOM 634 N ALA A 58 -15.046 9.152 -0.966 1.00 0.00 N ATOM 635 CA ALA A 58 -15.402 7.750 -1.109 1.00 0.00 C ATOM 636 C ALA A 58 -16.803 7.598 -1.690 1.00 0.00 C ATOM 637 O ALA A 58 -17.014 6.847 -2.643 1.00 0.00 O ATOM 638 CB ALA A 58 -15.300 7.040 0.230 1.00 0.00 C ATOM 0 H ALA A 58 -14.956 9.470 -0.001 1.00 0.00 H new ATOM 0 HA ALA A 58 -14.699 7.290 -1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -15.570 5.991 0.107 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -14.278 7.111 0.602 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.979 7.508 0.943 1.00 0.00 H new ATOM 644 N GLU A 59 -17.756 8.317 -1.110 1.00 0.00 N ATOM 645 CA GLU A 59 -19.139 8.267 -1.570 1.00 0.00 C ATOM 646 C GLU A 59 -19.315 9.088 -2.844 1.00 0.00 C ATOM 647 O GLU A 59 -20.122 8.749 -3.708 1.00 0.00 O ATOM 648 CB GLU A 59 -20.077 8.787 -0.477 1.00 0.00 C ATOM 649 CG GLU A 59 -21.269 7.882 -0.215 1.00 0.00 C ATOM 650 CD GLU A 59 -20.860 6.451 0.081 1.00 0.00 C ATOM 651 OE1 GLU A 59 -20.750 5.655 -0.876 1.00 0.00 O ATOM 652 OE2 GLU A 59 -20.651 6.127 1.268 1.00 0.00 O ATOM 0 H GLU A 59 -17.597 8.942 -0.320 1.00 0.00 H new ATOM 0 HA GLU A 59 -19.390 7.230 -1.791 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -19.512 8.906 0.448 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -20.438 9.776 -0.760 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -21.841 8.274 0.626 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -21.929 7.896 -1.083 1.00 0.00 H new ATOM 659 N LYS A 60 -18.553 10.173 -2.948 1.00 0.00 N ATOM 660 CA LYS A 60 -18.621 11.049 -4.108 1.00 0.00 C ATOM 661 C LYS A 60 -18.240 10.305 -5.384 1.00 0.00 C ATOM 662 O LYS A 60 -18.912 10.423 -6.408 1.00 0.00 O ATOM 663 CB LYS A 60 -17.704 12.257 -3.915 1.00 0.00 C ATOM 664 CG LYS A 60 -18.350 13.395 -3.142 1.00 0.00 C ATOM 665 CD LYS A 60 -17.538 14.677 -3.255 1.00 0.00 C ATOM 666 CE LYS A 60 -18.234 15.841 -2.567 1.00 0.00 C ATOM 667 NZ LYS A 60 -18.879 16.760 -3.545 1.00 0.00 N ATOM 0 H LYS A 60 -17.880 10.465 -2.239 1.00 0.00 H new ATOM 0 HA LYS A 60 -19.650 11.393 -4.208 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -16.803 11.938 -3.391 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -17.391 12.625 -4.892 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -19.358 13.567 -3.520 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -18.446 13.115 -2.093 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -16.554 14.526 -2.811 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -17.379 14.917 -4.306 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -18.987 15.458 -1.878 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -17.510 16.396 -1.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -19.342 17.540 -3.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -18.157 17.146 -4.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -19.589 16.237 -4.097 1.00 0.00 H new ATOM 681 N SER A 61 -17.155 9.539 -5.316 1.00 0.00 N ATOM 682 CA SER A 61 -16.685 8.780 -6.466 1.00 0.00 C ATOM 683 C SER A 61 -17.712 7.730 -6.879 1.00 0.00 C ATOM 684 O SER A 61 -18.321 7.831 -7.944 1.00 0.00 O ATOM 685 CB SER A 61 -15.347 8.109 -6.150 1.00 0.00 C ATOM 686 OG SER A 61 -14.451 9.022 -5.540 1.00 0.00 O ATOM 0 H SER A 61 -16.586 9.429 -4.476 1.00 0.00 H new ATOM 0 HA SER A 61 -16.546 9.473 -7.296 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.510 7.258 -5.489 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.906 7.720 -7.068 1.00 0.00 H new ATOM 0 HG SER A 61 -14.487 8.914 -4.567 1.00 0.00 H new ATOM 692 N GLY A 62 -17.899 6.726 -6.030 1.00 0.00 N ATOM 693 CA GLY A 62 -18.855 5.676 -6.327 1.00 0.00 C ATOM 694 C GLY A 62 -18.185 4.358 -6.656 1.00 0.00 C ATOM 695 O GLY A 62 -18.775 3.292 -6.474 1.00 0.00 O ATOM 0 H GLY A 62 -17.407 6.620 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -19.517 5.540 -5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -19.478 5.983 -7.167 1.00 0.00 H new ATOM 699 N LYS A 63 -16.949 4.427 -7.142 1.00 0.00 N ATOM 700 CA LYS A 63 -16.203 3.219 -7.496 1.00 0.00 C ATOM 701 C LYS A 63 -16.133 2.255 -6.317 1.00 0.00 C ATOM 702 O LYS A 63 -16.012 1.043 -6.499 1.00 0.00 O ATOM 703 CB LYS A 63 -14.785 3.540 -7.985 1.00 0.00 C ATOM 704 CG LYS A 63 -14.211 4.844 -7.463 1.00 0.00 C ATOM 705 CD LYS A 63 -14.083 5.866 -8.578 1.00 0.00 C ATOM 706 CE LYS A 63 -15.437 6.253 -9.143 1.00 0.00 C ATOM 707 NZ LYS A 63 -15.315 6.929 -10.466 1.00 0.00 N ATOM 0 H LYS A 63 -16.444 5.299 -7.300 1.00 0.00 H new ATOM 0 HA LYS A 63 -16.745 2.746 -8.315 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -14.122 2.725 -7.693 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.790 3.572 -9.075 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -14.853 5.238 -6.675 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.233 4.663 -7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.579 6.755 -8.200 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -13.459 5.460 -9.374 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -16.055 5.361 -9.247 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -15.947 6.915 -8.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.262 7.177 -10.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.746 7.794 -10.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -14.852 6.288 -11.142 1.00 0.00 H new ATOM 721 N LEU A 64 -16.207 2.800 -5.107 1.00 0.00 N ATOM 722 CA LEU A 64 -16.150 1.986 -3.897 1.00 0.00 C ATOM 723 C LEU A 64 -17.549 1.726 -3.349 1.00 0.00 C ATOM 724 O LEU A 64 -18.371 2.637 -3.255 1.00 0.00 O ATOM 725 CB LEU A 64 -15.295 2.676 -2.834 1.00 0.00 C ATOM 726 CG LEU A 64 -13.808 2.782 -3.173 1.00 0.00 C ATOM 727 CD1 LEU A 64 -13.116 3.769 -2.246 1.00 0.00 C ATOM 728 CD2 LEU A 64 -13.146 1.414 -3.090 1.00 0.00 C ATOM 0 H LEU A 64 -16.306 3.801 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.697 1.029 -4.155 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -15.687 3.679 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -15.401 2.133 -1.895 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.713 3.150 -4.195 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.059 3.830 -2.504 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -13.573 4.752 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.219 3.433 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.088 1.507 -3.334 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.252 1.019 -2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.623 0.735 -3.797 1.00 0.00 H new ATOM 740 N ASN A 65 -17.808 0.475 -2.984 1.00 0.00 N ATOM 741 CA ASN A 65 -19.105 0.090 -2.439 1.00 0.00 C ATOM 742 C ASN A 65 -18.936 -0.906 -1.298 1.00 0.00 C ATOM 743 O ASN A 65 -18.164 -1.859 -1.402 1.00 0.00 O ATOM 744 CB ASN A 65 -19.982 -0.517 -3.536 1.00 0.00 C ATOM 745 CG ASN A 65 -20.665 0.540 -4.381 1.00 0.00 C ATOM 746 OD1 ASN A 65 -21.707 1.077 -4.003 1.00 0.00 O ATOM 747 ND2 ASN A 65 -20.082 0.844 -5.534 1.00 0.00 N ATOM 0 H ASN A 65 -17.137 -0.290 -3.056 1.00 0.00 H new ATOM 0 HA ASN A 65 -19.591 0.985 -2.050 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.370 -1.151 -4.177 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -20.737 -1.158 -3.081 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -20.497 1.547 -6.146 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -19.219 0.375 -5.809 1.00 0.00 H new ATOM 754 N ILE A 66 -19.662 -0.679 -0.207 1.00 0.00 N ATOM 755 CA ILE A 66 -19.597 -1.549 0.957 1.00 0.00 C ATOM 756 C ILE A 66 -19.675 -3.021 0.566 1.00 0.00 C ATOM 757 O ILE A 66 -20.366 -3.389 -0.384 1.00 0.00 O ATOM 758 CB ILE A 66 -20.720 -1.203 1.941 1.00 0.00 C ATOM 759 CG1 ILE A 66 -20.563 0.250 2.367 1.00 0.00 C ATOM 760 CG2 ILE A 66 -20.702 -2.125 3.155 1.00 0.00 C ATOM 761 CD1 ILE A 66 -19.226 0.548 3.002 1.00 0.00 C ATOM 0 H ILE A 66 -20.305 0.106 -0.107 1.00 0.00 H new ATOM 0 HA ILE A 66 -18.633 -1.385 1.439 1.00 0.00 H new ATOM 0 HB ILE A 66 -21.682 -1.344 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.694 0.892 1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -21.356 0.502 3.072 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -21.511 -1.851 3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -20.834 -3.157 2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -19.748 -2.027 3.672 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -19.182 1.601 3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.100 -0.069 3.892 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.429 0.328 2.292 1.00 0.00 H new ATOM 773 N GLY A 67 -18.954 -3.854 1.304 1.00 0.00 N ATOM 774 CA GLY A 67 -18.944 -5.276 1.023 1.00 0.00 C ATOM 775 C GLY A 67 -17.872 -5.667 0.018 1.00 0.00 C ATOM 776 O GLY A 67 -17.708 -6.846 -0.291 1.00 0.00 O ATOM 0 H GLY A 67 -18.375 -3.570 2.094 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -18.784 -5.825 1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -19.921 -5.574 0.641 1.00 0.00 H new ATOM 780 N ASP A 68 -17.138 -4.678 -0.491 1.00 0.00 N ATOM 781 CA ASP A 68 -16.081 -4.939 -1.461 1.00 0.00 C ATOM 782 C ASP A 68 -14.780 -5.291 -0.753 1.00 0.00 C ATOM 783 O ASP A 68 -14.631 -5.048 0.444 1.00 0.00 O ATOM 784 CB ASP A 68 -15.874 -3.723 -2.363 1.00 0.00 C ATOM 785 CG ASP A 68 -16.919 -3.629 -3.457 1.00 0.00 C ATOM 786 OD1 ASP A 68 -17.547 -4.663 -3.768 1.00 0.00 O ATOM 787 OD2 ASP A 68 -17.110 -2.522 -4.002 1.00 0.00 O ATOM 0 H ASP A 68 -17.257 -3.695 -0.248 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.383 -5.786 -2.076 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.903 -2.817 -1.758 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.883 -3.774 -2.814 1.00 0.00 H new ATOM 792 N GLN A 69 -13.837 -5.865 -1.495 1.00 0.00 N ATOM 793 CA GLN A 69 -12.551 -6.246 -0.918 1.00 0.00 C ATOM 794 C GLN A 69 -11.400 -5.516 -1.605 1.00 0.00 C ATOM 795 O GLN A 69 -11.178 -5.677 -2.805 1.00 0.00 O ATOM 796 CB GLN A 69 -12.348 -7.757 -1.023 1.00 0.00 C ATOM 797 CG GLN A 69 -13.289 -8.556 -0.139 1.00 0.00 C ATOM 798 CD GLN A 69 -12.586 -9.157 1.062 1.00 0.00 C ATOM 799 OE1 GLN A 69 -13.052 -9.029 2.194 1.00 0.00 O ATOM 800 NE2 GLN A 69 -11.459 -9.816 0.819 1.00 0.00 N ATOM 0 H GLN A 69 -13.937 -6.075 -2.488 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.558 -5.959 0.133 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -12.488 -8.063 -2.060 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.319 -7.997 -0.756 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -14.098 -7.910 0.203 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.745 -9.353 -0.726 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -11.111 -9.896 -0.136 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -10.941 -10.242 1.588 1.00 0.00 H new ATOM 809 N ILE A 70 -10.669 -4.716 -0.835 1.00 0.00 N ATOM 810 CA ILE A 70 -9.539 -3.961 -1.368 1.00 0.00 C ATOM 811 C ILE A 70 -8.240 -4.748 -1.228 1.00 0.00 C ATOM 812 O ILE A 70 -7.727 -4.921 -0.127 1.00 0.00 O ATOM 813 CB ILE A 70 -9.381 -2.606 -0.652 1.00 0.00 C ATOM 814 CG1 ILE A 70 -10.717 -1.859 -0.625 1.00 0.00 C ATOM 815 CG2 ILE A 70 -8.304 -1.768 -1.328 1.00 0.00 C ATOM 816 CD1 ILE A 70 -10.996 -1.169 0.693 1.00 0.00 C ATOM 0 H ILE A 70 -10.839 -4.573 0.161 1.00 0.00 H new ATOM 0 HA ILE A 70 -9.745 -3.785 -2.424 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.071 -2.789 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -10.726 -1.117 -1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -11.522 -2.563 -0.835 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -8.206 -0.814 -0.809 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.353 -2.300 -1.292 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -8.581 -1.589 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -11.958 -0.660 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.020 -1.909 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -10.211 -0.441 0.896 1.00 0.00 H new ATOM 828 N MET A 71 -7.715 -5.227 -2.353 1.00 0.00 N ATOM 829 CA MET A 71 -6.480 -6.004 -2.349 1.00 0.00 C ATOM 830 C MET A 71 -5.270 -5.147 -1.986 1.00 0.00 C ATOM 831 O MET A 71 -4.650 -5.347 -0.944 1.00 0.00 O ATOM 832 CB MET A 71 -6.256 -6.655 -3.713 1.00 0.00 C ATOM 833 CG MET A 71 -7.053 -7.933 -3.909 1.00 0.00 C ATOM 834 SD MET A 71 -8.812 -7.619 -4.151 1.00 0.00 S ATOM 835 CE MET A 71 -9.502 -8.494 -2.751 1.00 0.00 C ATOM 0 H MET A 71 -8.125 -5.091 -3.277 1.00 0.00 H new ATOM 0 HA MET A 71 -6.587 -6.777 -1.588 1.00 0.00 H new ATOM 0 HB2 MET A 71 -6.524 -5.945 -4.495 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.195 -6.875 -3.833 1.00 0.00 H new ATOM 0 HG2 MET A 71 -6.662 -8.473 -4.771 1.00 0.00 H new ATOM 0 HG3 MET A 71 -6.918 -8.578 -3.041 1.00 0.00 H new ATOM 0 HE1 MET A 71 -10.341 -9.106 -3.082 1.00 0.00 H new ATOM 0 HE2 MET A 71 -8.738 -9.134 -2.309 1.00 0.00 H new ATOM 0 HE3 MET A 71 -9.848 -7.776 -2.008 1.00 0.00 H new ATOM 845 N SER A 72 -4.931 -4.203 -2.856 1.00 0.00 N ATOM 846 CA SER A 72 -3.784 -3.334 -2.622 1.00 0.00 C ATOM 847 C SER A 72 -4.114 -1.881 -2.937 1.00 0.00 C ATOM 848 O SER A 72 -4.924 -1.594 -3.819 1.00 0.00 O ATOM 849 CB SER A 72 -2.593 -3.789 -3.469 1.00 0.00 C ATOM 850 OG SER A 72 -2.763 -3.420 -4.826 1.00 0.00 O ATOM 0 H SER A 72 -5.431 -4.020 -3.726 1.00 0.00 H new ATOM 0 HA SER A 72 -3.525 -3.404 -1.565 1.00 0.00 H new ATOM 0 HB2 SER A 72 -1.676 -3.346 -3.080 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.481 -4.871 -3.394 1.00 0.00 H new ATOM 0 HG SER A 72 -1.989 -3.720 -5.346 1.00 0.00 H new ATOM 856 N ILE A 73 -3.478 -0.969 -2.210 1.00 0.00 N ATOM 857 CA ILE A 73 -3.695 0.453 -2.405 1.00 0.00 C ATOM 858 C ILE A 73 -2.404 1.146 -2.833 1.00 0.00 C ATOM 859 O ILE A 73 -1.452 1.243 -2.060 1.00 0.00 O ATOM 860 CB ILE A 73 -4.225 1.107 -1.117 1.00 0.00 C ATOM 861 CG1 ILE A 73 -5.551 0.468 -0.703 1.00 0.00 C ATOM 862 CG2 ILE A 73 -4.389 2.603 -1.311 1.00 0.00 C ATOM 863 CD1 ILE A 73 -5.533 -0.104 0.696 1.00 0.00 C ATOM 0 H ILE A 73 -2.805 -1.195 -1.477 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.438 0.568 -3.194 1.00 0.00 H new ATOM 0 HB ILE A 73 -3.500 0.943 -0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.342 1.215 -0.772 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.799 -0.325 -1.408 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.765 3.050 -0.391 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.425 3.045 -1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.095 2.790 -2.120 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.505 -0.541 0.923 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.764 -0.874 0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -5.316 0.690 1.411 1.00 0.00 H new ATOM 875 N ASN A 74 -2.383 1.627 -4.071 1.00 0.00 N ATOM 876 CA ASN A 74 -1.212 2.312 -4.607 1.00 0.00 C ATOM 877 C ASN A 74 0.014 1.401 -4.597 1.00 0.00 C ATOM 878 O ASN A 74 1.149 1.878 -4.592 1.00 0.00 O ATOM 879 CB ASN A 74 -0.921 3.579 -3.798 1.00 0.00 C ATOM 880 CG ASN A 74 -2.047 4.590 -3.887 1.00 0.00 C ATOM 881 OD1 ASN A 74 -2.395 5.059 -4.971 1.00 0.00 O ATOM 882 ND2 ASN A 74 -2.622 4.937 -2.740 1.00 0.00 N ATOM 0 H ASN A 74 -3.164 1.555 -4.723 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.429 2.585 -5.640 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.758 3.311 -2.754 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.002 4.034 -4.158 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -3.383 5.616 -2.736 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -2.303 4.524 -1.864 1.00 0.00 H new ATOM 889 N GLY A 75 -0.220 0.092 -4.603 1.00 0.00 N ATOM 890 CA GLY A 75 0.881 -0.855 -4.600 1.00 0.00 C ATOM 891 C GLY A 75 0.968 -1.655 -3.313 1.00 0.00 C ATOM 892 O GLY A 75 1.412 -2.802 -3.320 1.00 0.00 O ATOM 0 H GLY A 75 -1.149 -0.329 -4.610 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.767 -1.540 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.817 -0.317 -4.752 1.00 0.00 H new ATOM 896 N THR A 76 0.545 -1.050 -2.208 1.00 0.00 N ATOM 897 CA THR A 76 0.581 -1.716 -0.913 1.00 0.00 C ATOM 898 C THR A 76 -0.408 -2.875 -0.866 1.00 0.00 C ATOM 899 O THR A 76 -1.611 -2.669 -0.704 1.00 0.00 O ATOM 900 CB THR A 76 0.273 -0.721 0.200 1.00 0.00 C ATOM 901 OG1 THR A 76 0.898 0.526 -0.049 1.00 0.00 O ATOM 902 CG2 THR A 76 0.719 -1.193 1.568 1.00 0.00 C ATOM 0 H THR A 76 0.174 -0.100 -2.184 1.00 0.00 H new ATOM 0 HA THR A 76 1.584 -2.117 -0.766 1.00 0.00 H new ATOM 0 HB THR A 76 -0.813 -0.623 0.203 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.685 1.149 0.677 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.469 -0.437 2.313 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.212 -2.126 1.814 1.00 0.00 H new ATOM 0 HG23 THR A 76 1.797 -1.356 1.563 1.00 0.00 H new ATOM 910 N SER A 77 0.106 -4.092 -1.007 1.00 0.00 N ATOM 911 CA SER A 77 -0.733 -5.285 -0.980 1.00 0.00 C ATOM 912 C SER A 77 -1.298 -5.526 0.416 1.00 0.00 C ATOM 913 O SER A 77 -0.588 -5.403 1.413 1.00 0.00 O ATOM 914 CB SER A 77 0.069 -6.507 -1.435 1.00 0.00 C ATOM 915 OG SER A 77 0.032 -6.644 -2.845 1.00 0.00 O ATOM 0 H SER A 77 1.100 -4.279 -1.141 1.00 0.00 H new ATOM 0 HA SER A 77 -1.566 -5.127 -1.665 1.00 0.00 H new ATOM 0 HB2 SER A 77 1.103 -6.412 -1.103 1.00 0.00 H new ATOM 0 HB3 SER A 77 -0.335 -7.405 -0.968 1.00 0.00 H new ATOM 0 HG SER A 77 0.553 -7.430 -3.111 1.00 0.00 H new ATOM 921 N LEU A 78 -2.580 -5.872 0.476 1.00 0.00 N ATOM 922 CA LEU A 78 -3.246 -6.135 1.748 1.00 0.00 C ATOM 923 C LEU A 78 -3.618 -7.610 1.882 1.00 0.00 C ATOM 924 O LEU A 78 -3.963 -8.076 2.968 1.00 0.00 O ATOM 925 CB LEU A 78 -4.503 -5.274 1.879 1.00 0.00 C ATOM 926 CG LEU A 78 -4.293 -3.776 1.656 1.00 0.00 C ATOM 927 CD1 LEU A 78 -5.579 -3.013 1.934 1.00 0.00 C ATOM 928 CD2 LEU A 78 -3.164 -3.262 2.535 1.00 0.00 C ATOM 0 H LEU A 78 -3.180 -5.977 -0.342 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.549 -5.880 2.546 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -5.244 -5.631 1.164 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -4.923 -5.421 2.874 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.017 -3.615 0.614 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.413 -1.948 1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.363 -3.365 1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.884 -3.178 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -3.027 -2.194 2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.412 -3.433 3.583 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -2.242 -3.790 2.289 1.00 0.00 H new ATOM 940 N VAL A 79 -3.552 -8.342 0.773 1.00 0.00 N ATOM 941 CA VAL A 79 -3.889 -9.758 0.773 1.00 0.00 C ATOM 942 C VAL A 79 -2.882 -10.569 1.586 1.00 0.00 C ATOM 943 O VAL A 79 -1.842 -10.974 1.069 1.00 0.00 O ATOM 944 CB VAL A 79 -3.945 -10.321 -0.659 1.00 0.00 C ATOM 945 CG1 VAL A 79 -4.489 -11.742 -0.653 1.00 0.00 C ATOM 946 CG2 VAL A 79 -4.787 -9.424 -1.553 1.00 0.00 C ATOM 0 H VAL A 79 -3.268 -7.976 -0.136 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.874 -9.846 1.231 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.932 -10.346 -1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -4.521 -12.124 -1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.841 -12.377 -0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.495 -11.745 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -4.815 -9.838 -2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -5.801 -9.364 -1.157 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -4.350 -8.426 -1.583 1.00 0.00 H new ATOM 956 N GLY A 80 -3.202 -10.813 2.855 1.00 0.00 N ATOM 957 CA GLY A 80 -2.310 -11.585 3.702 1.00 0.00 C ATOM 958 C GLY A 80 -2.090 -10.966 5.073 1.00 0.00 C ATOM 959 O GLY A 80 -1.722 -11.665 6.018 1.00 0.00 O ATOM 0 H GLY A 80 -4.057 -10.492 3.309 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -2.717 -12.588 3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -1.348 -11.691 3.201 1.00 0.00 H new ATOM 963 N LEU A 81 -2.308 -9.659 5.187 1.00 0.00 N ATOM 964 CA LEU A 81 -2.119 -8.970 6.462 1.00 0.00 C ATOM 965 C LEU A 81 -3.448 -8.747 7.179 1.00 0.00 C ATOM 966 O LEU A 81 -4.509 -8.746 6.556 1.00 0.00 O ATOM 967 CB LEU A 81 -1.402 -7.631 6.259 1.00 0.00 C ATOM 968 CG LEU A 81 -1.867 -6.811 5.051 1.00 0.00 C ATOM 969 CD1 LEU A 81 -2.214 -5.391 5.472 1.00 0.00 C ATOM 970 CD2 LEU A 81 -0.797 -6.802 3.969 1.00 0.00 C ATOM 0 H LEU A 81 -2.613 -9.059 4.420 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.497 -9.611 7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.533 -7.028 7.158 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.334 -7.822 6.157 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.764 -7.277 4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.542 -4.823 4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.014 -5.416 6.212 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.334 -4.915 5.905 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -1.144 -6.215 3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.117 -6.361 4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.597 -7.824 3.647 1.00 0.00 H new ATOM 982 N PRO A 82 -3.403 -8.562 8.512 1.00 0.00 N ATOM 983 CA PRO A 82 -4.605 -8.344 9.326 1.00 0.00 C ATOM 984 C PRO A 82 -5.346 -7.063 8.955 1.00 0.00 C ATOM 985 O PRO A 82 -4.996 -6.387 7.988 1.00 0.00 O ATOM 986 CB PRO A 82 -4.065 -8.253 10.759 1.00 0.00 C ATOM 987 CG PRO A 82 -2.625 -7.907 10.607 1.00 0.00 C ATOM 988 CD PRO A 82 -2.178 -8.558 9.330 1.00 0.00 C ATOM 0 HA PRO A 82 -5.333 -9.142 9.181 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.595 -7.493 11.333 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -4.190 -9.197 11.289 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.485 -6.827 10.565 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -2.044 -8.270 11.455 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.375 -7.998 8.851 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.804 -9.567 9.501 1.00 0.00 H new ATOM 996 N LEU A 83 -6.375 -6.744 9.734 1.00 0.00 N ATOM 997 CA LEU A 83 -7.184 -5.552 9.499 1.00 0.00 C ATOM 998 C LEU A 83 -6.481 -4.294 9.996 1.00 0.00 C ATOM 999 O LEU A 83 -6.398 -3.296 9.281 1.00 0.00 O ATOM 1000 CB LEU A 83 -8.542 -5.701 10.183 1.00 0.00 C ATOM 1001 CG LEU A 83 -9.454 -4.471 10.135 1.00 0.00 C ATOM 1002 CD1 LEU A 83 -9.264 -3.614 11.377 1.00 0.00 C ATOM 1003 CD2 LEU A 83 -9.213 -3.646 8.875 1.00 0.00 C ATOM 0 H LEU A 83 -6.670 -7.298 10.538 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.330 -5.450 8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -9.068 -6.538 9.724 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.374 -5.964 11.227 1.00 0.00 H new ATOM 0 HG LEU A 83 -10.485 -4.825 10.109 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.920 -2.746 11.324 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.508 -4.199 12.264 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.227 -3.282 11.435 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.877 -2.781 8.874 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -8.177 -3.308 8.854 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -9.413 -4.258 7.996 1.00 0.00 H new ATOM 1015 N SER A 84 -5.976 -4.342 11.224 1.00 0.00 N ATOM 1016 CA SER A 84 -5.285 -3.198 11.807 1.00 0.00 C ATOM 1017 C SER A 84 -4.178 -2.711 10.881 1.00 0.00 C ATOM 1018 O SER A 84 -3.997 -1.506 10.682 1.00 0.00 O ATOM 1019 CB SER A 84 -4.701 -3.567 13.170 1.00 0.00 C ATOM 1020 OG SER A 84 -3.600 -4.447 13.033 1.00 0.00 O ATOM 0 H SER A 84 -6.032 -5.158 11.833 1.00 0.00 H new ATOM 0 HA SER A 84 -6.008 -2.393 11.939 1.00 0.00 H new ATOM 0 HB2 SER A 84 -4.385 -2.663 13.690 1.00 0.00 H new ATOM 0 HB3 SER A 84 -5.470 -4.035 13.784 1.00 0.00 H new ATOM 0 HG SER A 84 -3.244 -4.666 13.919 1.00 0.00 H new ATOM 1026 N THR A 85 -3.444 -3.657 10.307 1.00 0.00 N ATOM 1027 CA THR A 85 -2.362 -3.325 9.394 1.00 0.00 C ATOM 1028 C THR A 85 -2.891 -2.578 8.175 1.00 0.00 C ATOM 1029 O THR A 85 -2.351 -1.539 7.797 1.00 0.00 O ATOM 1030 CB THR A 85 -1.623 -4.589 8.959 1.00 0.00 C ATOM 1031 OG1 THR A 85 -1.047 -5.242 10.075 1.00 0.00 O ATOM 1032 CG2 THR A 85 -0.515 -4.327 7.961 1.00 0.00 C ATOM 0 H THR A 85 -3.579 -4.657 10.458 1.00 0.00 H new ATOM 0 HA THR A 85 -1.663 -2.674 9.919 1.00 0.00 H new ATOM 0 HB THR A 85 -2.379 -5.212 8.481 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.580 -6.050 9.776 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.033 -5.268 7.696 1.00 0.00 H new ATOM 0 HG22 THR A 85 -0.933 -3.869 7.065 1.00 0.00 H new ATOM 0 HG23 THR A 85 0.221 -3.655 8.402 1.00 0.00 H new ATOM 1040 N CYS A 86 -3.953 -3.107 7.567 1.00 0.00 N ATOM 1041 CA CYS A 86 -4.547 -2.482 6.389 1.00 0.00 C ATOM 1042 C CYS A 86 -4.941 -1.037 6.675 1.00 0.00 C ATOM 1043 O CYS A 86 -4.591 -0.125 5.923 1.00 0.00 O ATOM 1044 CB CYS A 86 -5.770 -3.275 5.925 1.00 0.00 C ATOM 1045 SG CYS A 86 -5.406 -4.982 5.458 1.00 0.00 S ATOM 0 H CYS A 86 -4.417 -3.963 7.870 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.800 -2.483 5.596 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -6.512 -3.278 6.723 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -6.220 -2.764 5.073 1.00 0.00 H new ATOM 0 HG CYS A 86 -5.497 -5.747 6.505 1.00 0.00 H new ATOM 1051 N GLN A 87 -5.666 -0.828 7.772 1.00 0.00 N ATOM 1052 CA GLN A 87 -6.095 0.512 8.153 1.00 0.00 C ATOM 1053 C GLN A 87 -4.911 1.470 8.139 1.00 0.00 C ATOM 1054 O GLN A 87 -4.997 2.572 7.597 1.00 0.00 O ATOM 1055 CB GLN A 87 -6.741 0.492 9.539 1.00 0.00 C ATOM 1056 CG GLN A 87 -8.238 0.232 9.503 1.00 0.00 C ATOM 1057 CD GLN A 87 -8.827 0.031 10.885 1.00 0.00 C ATOM 1058 OE1 GLN A 87 -8.287 -0.934 11.620 1.00 0.00 O flip ATOM 1059 NE2 GLN A 87 -9.753 0.733 11.287 1.00 0.00 N flip ATOM 0 H GLN A 87 -5.966 -1.566 8.408 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.834 0.857 7.430 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.261 -0.276 10.145 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.557 1.447 10.031 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.737 1.071 9.018 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.435 -0.651 8.896 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -10.137 1.463 10.687 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -10.137 0.585 12.220 1.00 0.00 H new ATOM 1068 N SER A 88 -3.801 1.036 8.727 1.00 0.00 N ATOM 1069 CA SER A 88 -2.597 1.847 8.768 1.00 0.00 C ATOM 1070 C SER A 88 -2.120 2.174 7.355 1.00 0.00 C ATOM 1071 O SER A 88 -1.615 3.268 7.095 1.00 0.00 O ATOM 1072 CB SER A 88 -1.492 1.127 9.541 1.00 0.00 C ATOM 1073 OG SER A 88 -1.762 1.119 10.932 1.00 0.00 O ATOM 0 H SER A 88 -3.714 0.127 9.181 1.00 0.00 H new ATOM 0 HA SER A 88 -2.833 2.780 9.281 1.00 0.00 H new ATOM 0 HB2 SER A 88 -1.400 0.103 9.180 1.00 0.00 H new ATOM 0 HB3 SER A 88 -0.536 1.617 9.356 1.00 0.00 H new ATOM 0 HG SER A 88 -1.041 0.651 11.403 1.00 0.00 H new ATOM 1079 N ILE A 89 -2.293 1.219 6.441 1.00 0.00 N ATOM 1080 CA ILE A 89 -1.882 1.409 5.055 1.00 0.00 C ATOM 1081 C ILE A 89 -2.578 2.618 4.448 1.00 0.00 C ATOM 1082 O ILE A 89 -1.935 3.488 3.860 1.00 0.00 O ATOM 1083 CB ILE A 89 -2.209 0.170 4.197 1.00 0.00 C ATOM 1084 CG1 ILE A 89 -1.691 -1.101 4.869 1.00 0.00 C ATOM 1085 CG2 ILE A 89 -1.627 0.319 2.801 1.00 0.00 C ATOM 1086 CD1 ILE A 89 -0.182 -1.214 4.889 1.00 0.00 C ATOM 0 H ILE A 89 -2.713 0.311 6.637 1.00 0.00 H new ATOM 0 HA ILE A 89 -0.803 1.567 5.060 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.292 0.089 4.107 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -2.061 -1.135 5.894 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -2.103 -1.967 4.352 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -1.868 -0.565 2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -2.051 1.202 2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -0.544 0.427 2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.107 -2.142 5.382 1.00 0.00 H new ATOM 0 HD12 ILE A 89 0.197 -1.213 3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 89 0.239 -0.368 5.432 1.00 0.00 H new ATOM 1098 N ILE A 90 -3.897 2.672 4.601 1.00 0.00 N ATOM 1099 CA ILE A 90 -4.681 3.771 4.075 1.00 0.00 C ATOM 1100 C ILE A 90 -4.401 5.057 4.845 1.00 0.00 C ATOM 1101 O ILE A 90 -4.210 6.119 4.254 1.00 0.00 O ATOM 1102 CB ILE A 90 -6.179 3.450 4.150 1.00 0.00 C ATOM 1103 CG1 ILE A 90 -6.469 2.111 3.470 1.00 0.00 C ATOM 1104 CG2 ILE A 90 -6.976 4.563 3.504 1.00 0.00 C ATOM 1105 CD1 ILE A 90 -7.892 1.633 3.655 1.00 0.00 C ATOM 0 H ILE A 90 -4.443 1.961 5.088 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.395 3.912 3.033 1.00 0.00 H new ATOM 0 HB ILE A 90 -6.475 3.371 5.196 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.261 2.202 2.404 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.787 1.358 3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -8.039 4.329 3.560 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -6.782 5.500 4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -6.681 4.663 2.459 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -8.024 0.678 3.146 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -8.099 1.509 4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -8.580 2.367 3.235 1.00 0.00 H new ATOM 1117 N LYS A 91 -4.374 4.954 6.169 1.00 0.00 N ATOM 1118 CA LYS A 91 -4.112 6.110 7.017 1.00 0.00 C ATOM 1119 C LYS A 91 -2.793 6.777 6.639 1.00 0.00 C ATOM 1120 O LYS A 91 -2.585 7.962 6.903 1.00 0.00 O ATOM 1121 CB LYS A 91 -4.085 5.696 8.490 1.00 0.00 C ATOM 1122 CG LYS A 91 -5.464 5.429 9.073 1.00 0.00 C ATOM 1123 CD LYS A 91 -5.480 4.162 9.914 1.00 0.00 C ATOM 1124 CE LYS A 91 -6.109 4.403 11.277 1.00 0.00 C ATOM 1125 NZ LYS A 91 -5.118 4.921 12.261 1.00 0.00 N ATOM 0 H LYS A 91 -4.530 4.083 6.677 1.00 0.00 H new ATOM 0 HA LYS A 91 -4.917 6.828 6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -3.475 4.799 8.595 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.600 6.481 9.070 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -5.771 6.277 9.685 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.190 5.339 8.265 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.034 3.383 9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -4.461 3.797 10.042 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -6.929 5.115 11.178 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.538 3.472 11.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.585 5.072 13.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -4.348 4.231 12.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.727 5.822 11.919 1.00 0.00 H new ATOM 1139 N GLY A 92 -1.911 6.007 6.018 1.00 0.00 N ATOM 1140 CA GLY A 92 -0.619 6.533 5.609 1.00 0.00 C ATOM 1141 C GLY A 92 -0.687 7.326 4.314 1.00 0.00 C ATOM 1142 O GLY A 92 0.058 8.289 4.132 1.00 0.00 O ATOM 0 H GLY A 92 -2.065 5.025 5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.225 7.171 6.400 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.082 5.707 5.487 1.00 0.00 H new ATOM 1146 N LEU A 93 -1.578 6.920 3.410 1.00 0.00 N ATOM 1147 CA LEU A 93 -1.730 7.602 2.125 1.00 0.00 C ATOM 1148 C LEU A 93 -2.858 8.627 2.176 1.00 0.00 C ATOM 1149 O LEU A 93 -3.568 8.835 1.193 1.00 0.00 O ATOM 1150 CB LEU A 93 -1.995 6.585 1.017 1.00 0.00 C ATOM 1151 CG LEU A 93 -3.262 5.755 1.199 1.00 0.00 C ATOM 1152 CD1 LEU A 93 -4.370 6.254 0.281 1.00 0.00 C ATOM 1153 CD2 LEU A 93 -2.977 4.283 0.949 1.00 0.00 C ATOM 0 H LEU A 93 -2.203 6.125 3.543 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.801 8.130 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -2.057 7.113 0.066 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.142 5.910 0.951 1.00 0.00 H new ATOM 0 HG LEU A 93 -3.600 5.867 2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -5.264 5.648 0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -4.595 7.295 0.514 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.045 6.177 -0.757 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.893 3.707 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -2.612 4.151 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -2.222 3.934 1.653 1.00 0.00 H new ATOM 1165 N LYS A 94 -3.014 9.266 3.330 1.00 0.00 N ATOM 1166 CA LYS A 94 -4.052 10.274 3.519 1.00 0.00 C ATOM 1167 C LYS A 94 -3.565 11.665 3.101 1.00 0.00 C ATOM 1168 O LYS A 94 -4.339 12.623 3.108 1.00 0.00 O ATOM 1169 CB LYS A 94 -4.491 10.289 4.989 1.00 0.00 C ATOM 1170 CG LYS A 94 -5.352 11.486 5.370 1.00 0.00 C ATOM 1171 CD LYS A 94 -4.508 12.624 5.922 1.00 0.00 C ATOM 1172 CE LYS A 94 -4.187 12.417 7.394 1.00 0.00 C ATOM 1173 NZ LYS A 94 -4.194 13.698 8.151 1.00 0.00 N ATOM 0 H LYS A 94 -2.433 9.103 4.152 1.00 0.00 H new ATOM 0 HA LYS A 94 -4.900 10.015 2.885 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.045 9.375 5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -3.604 10.277 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.904 11.832 4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.089 11.184 6.114 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.581 12.700 5.354 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -5.039 13.567 5.793 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.915 11.733 7.831 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -3.209 11.945 7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.971 13.512 9.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.482 14.342 7.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.134 14.137 8.082 1.00 0.00 H new ATOM 1187 N ASN A 95 -2.285 11.782 2.756 1.00 0.00 N ATOM 1188 CA ASN A 95 -1.723 13.071 2.363 1.00 0.00 C ATOM 1189 C ASN A 95 -1.441 13.147 0.863 1.00 0.00 C ATOM 1190 O ASN A 95 -0.395 13.645 0.447 1.00 0.00 O ATOM 1191 CB ASN A 95 -0.436 13.342 3.145 1.00 0.00 C ATOM 1192 CG ASN A 95 -0.698 13.622 4.612 1.00 0.00 C ATOM 1193 OD1 ASN A 95 -0.294 12.854 5.484 1.00 0.00 O ATOM 1194 ND2 ASN A 95 -1.379 14.728 4.890 1.00 0.00 N ATOM 0 H ASN A 95 -1.622 11.007 2.741 1.00 0.00 H new ATOM 0 HA ASN A 95 -2.467 13.833 2.597 1.00 0.00 H new ATOM 0 HB2 ASN A 95 0.228 12.482 3.055 1.00 0.00 H new ATOM 0 HB3 ASN A 95 0.082 14.193 2.703 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -1.586 14.969 5.859 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -1.695 15.336 4.134 1.00 0.00 H new ATOM 1201 N GLN A 96 -2.379 12.672 0.049 1.00 0.00 N ATOM 1202 CA GLN A 96 -2.216 12.716 -1.402 1.00 0.00 C ATOM 1203 C GLN A 96 -3.469 13.270 -2.074 1.00 0.00 C ATOM 1204 O GLN A 96 -4.466 13.553 -1.410 1.00 0.00 O ATOM 1205 CB GLN A 96 -1.886 11.331 -1.968 1.00 0.00 C ATOM 1206 CG GLN A 96 -2.382 10.172 -1.121 1.00 0.00 C ATOM 1207 CD GLN A 96 -1.695 8.870 -1.477 1.00 0.00 C ATOM 1208 OE1 GLN A 96 -2.409 7.994 -2.172 1.00 0.00 O flip ATOM 1209 NE2 GLN A 96 -0.532 8.654 -1.131 1.00 0.00 N flip ATOM 0 H GLN A 96 -3.254 12.255 0.366 1.00 0.00 H new ATOM 0 HA GLN A 96 -1.380 13.382 -1.616 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -2.318 11.247 -2.965 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -0.805 11.246 -2.081 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -2.212 10.395 -0.068 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -3.458 10.061 -1.254 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -0.020 9.356 -0.597 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -0.082 7.773 -1.379 1.00 0.00 H new ATOM 1218 N SER A 97 -3.407 13.433 -3.393 1.00 0.00 N ATOM 1219 CA SER A 97 -4.534 13.966 -4.151 1.00 0.00 C ATOM 1220 C SER A 97 -5.298 12.861 -4.879 1.00 0.00 C ATOM 1221 O SER A 97 -6.434 13.061 -5.309 1.00 0.00 O ATOM 1222 CB SER A 97 -4.050 15.015 -5.153 1.00 0.00 C ATOM 1223 OG SER A 97 -5.089 15.390 -6.041 1.00 0.00 O ATOM 0 H SER A 97 -2.589 13.204 -3.958 1.00 0.00 H new ATOM 0 HA SER A 97 -5.217 14.433 -3.441 1.00 0.00 H new ATOM 0 HB2 SER A 97 -3.689 15.894 -4.618 1.00 0.00 H new ATOM 0 HB3 SER A 97 -3.208 14.619 -5.720 1.00 0.00 H new ATOM 0 HG SER A 97 -5.803 14.719 -6.011 1.00 0.00 H new ATOM 1229 N ARG A 98 -4.670 11.700 -5.012 1.00 0.00 N ATOM 1230 CA ARG A 98 -5.296 10.566 -5.684 1.00 0.00 C ATOM 1231 C ARG A 98 -5.167 9.302 -4.841 1.00 0.00 C ATOM 1232 O ARG A 98 -4.207 9.145 -4.087 1.00 0.00 O ATOM 1233 CB ARG A 98 -4.655 10.323 -7.052 1.00 0.00 C ATOM 1234 CG ARG A 98 -4.811 11.470 -8.034 1.00 0.00 C ATOM 1235 CD ARG A 98 -6.274 11.758 -8.327 1.00 0.00 C ATOM 1236 NE ARG A 98 -6.443 12.938 -9.170 1.00 0.00 N ATOM 1237 CZ ARG A 98 -6.294 12.934 -10.493 1.00 0.00 C ATOM 1238 NH1 ARG A 98 -5.968 11.815 -11.127 1.00 0.00 N ATOM 1239 NH2 ARG A 98 -6.469 14.052 -11.183 1.00 0.00 N ATOM 0 H ARG A 98 -3.729 11.518 -4.664 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.351 10.804 -5.819 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.593 10.124 -6.911 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.092 9.425 -7.489 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.337 12.364 -7.629 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -4.294 11.228 -8.962 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.722 10.894 -8.819 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.809 11.903 -7.389 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.690 13.818 -8.718 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -5.830 10.952 -10.601 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -5.855 11.818 -12.141 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -6.718 14.915 -10.700 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.355 14.049 -12.197 1.00 0.00 H new ATOM 1253 N VAL A 99 -6.133 8.397 -4.974 1.00 0.00 N ATOM 1254 CA VAL A 99 -6.107 7.150 -4.221 1.00 0.00 C ATOM 1255 C VAL A 99 -6.311 5.944 -5.133 1.00 0.00 C ATOM 1256 O VAL A 99 -7.429 5.663 -5.567 1.00 0.00 O ATOM 1257 CB VAL A 99 -7.187 7.132 -3.122 1.00 0.00 C ATOM 1258 CG1 VAL A 99 -6.942 5.990 -2.150 1.00 0.00 C ATOM 1259 CG2 VAL A 99 -7.229 8.466 -2.387 1.00 0.00 C ATOM 0 H VAL A 99 -6.937 8.504 -5.592 1.00 0.00 H new ATOM 0 HA VAL A 99 -5.122 7.088 -3.757 1.00 0.00 H new ATOM 0 HB VAL A 99 -8.156 6.975 -3.597 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.715 5.994 -1.382 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -6.970 5.042 -2.688 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.965 6.113 -1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -7.998 8.432 -1.615 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.260 8.658 -1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.459 9.264 -3.093 1.00 0.00 H new ATOM 1269 N LYS A 100 -5.226 5.225 -5.413 1.00 0.00 N ATOM 1270 CA LYS A 100 -5.290 4.038 -6.260 1.00 0.00 C ATOM 1271 C LYS A 100 -5.553 2.801 -5.404 1.00 0.00 C ATOM 1272 O LYS A 100 -4.774 2.492 -4.505 1.00 0.00 O ATOM 1273 CB LYS A 100 -3.977 3.847 -7.026 1.00 0.00 C ATOM 1274 CG LYS A 100 -3.468 5.111 -7.694 1.00 0.00 C ATOM 1275 CD LYS A 100 -3.419 4.969 -9.211 1.00 0.00 C ATOM 1276 CE LYS A 100 -4.766 4.557 -9.788 1.00 0.00 C ATOM 1277 NZ LYS A 100 -4.614 3.596 -10.916 1.00 0.00 N ATOM 0 H LYS A 100 -4.293 5.444 -5.065 1.00 0.00 H new ATOM 0 HA LYS A 100 -6.102 4.173 -6.974 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.216 3.479 -6.338 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -4.119 3.078 -7.785 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.114 5.948 -7.428 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -2.472 5.345 -7.318 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.109 5.915 -9.654 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.667 4.228 -9.482 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.374 4.105 -9.005 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.299 5.442 -10.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.553 3.339 -11.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.055 4.037 -11.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -4.128 2.740 -10.580 1.00 0.00 H new ATOM 1291 N LEU A 101 -6.646 2.095 -5.673 1.00 0.00 N ATOM 1292 CA LEU A 101 -6.972 0.901 -4.897 1.00 0.00 C ATOM 1293 C LEU A 101 -7.522 -0.207 -5.773 1.00 0.00 C ATOM 1294 O LEU A 101 -8.584 -0.074 -6.369 1.00 0.00 O ATOM 1295 CB LEU A 101 -7.987 1.207 -3.792 1.00 0.00 C ATOM 1296 CG LEU A 101 -8.201 2.684 -3.478 1.00 0.00 C ATOM 1297 CD1 LEU A 101 -9.662 3.055 -3.662 1.00 0.00 C ATOM 1298 CD2 LEU A 101 -7.736 2.993 -2.066 1.00 0.00 C ATOM 0 H LEU A 101 -7.313 2.323 -6.410 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.037 0.568 -4.446 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -8.946 0.772 -4.075 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -7.666 0.704 -2.880 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.609 3.282 -4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -9.800 4.112 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -9.959 2.864 -4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -10.277 2.456 -2.990 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.894 4.050 -1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -8.304 2.392 -1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -6.676 2.759 -1.973 1.00 0.00 H new ATOM 1310 N ASN A 102 -6.808 -1.314 -5.808 1.00 0.00 N ATOM 1311 CA ASN A 102 -7.238 -2.471 -6.582 1.00 0.00 C ATOM 1312 C ASN A 102 -8.147 -3.344 -5.731 1.00 0.00 C ATOM 1313 O ASN A 102 -7.677 -4.112 -4.892 1.00 0.00 O ATOM 1314 CB ASN A 102 -6.035 -3.280 -7.072 1.00 0.00 C ATOM 1315 CG ASN A 102 -6.183 -3.713 -8.518 1.00 0.00 C ATOM 1316 OD1 ASN A 102 -6.581 -2.782 -9.377 1.00 0.00 O flip ATOM 1317 ND2 ASN A 102 -5.942 -4.872 -8.858 1.00 0.00 N flip ATOM 0 H ASN A 102 -5.927 -1.441 -5.311 1.00 0.00 H new ATOM 0 HA ASN A 102 -7.787 -2.121 -7.456 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -5.130 -2.682 -6.965 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -5.911 -4.161 -6.442 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -5.638 -5.555 -8.163 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -6.046 -5.149 -9.834 1.00 0.00 H new ATOM 1324 N ILE A 103 -9.453 -3.205 -5.930 1.00 0.00 N ATOM 1325 CA ILE A 103 -10.417 -3.969 -5.149 1.00 0.00 C ATOM 1326 C ILE A 103 -11.268 -4.876 -6.032 1.00 0.00 C ATOM 1327 O ILE A 103 -11.284 -4.741 -7.254 1.00 0.00 O ATOM 1328 CB ILE A 103 -11.327 -3.035 -4.310 1.00 0.00 C ATOM 1329 CG1 ILE A 103 -12.586 -2.614 -5.077 1.00 0.00 C ATOM 1330 CG2 ILE A 103 -10.556 -1.796 -3.874 1.00 0.00 C ATOM 1331 CD1 ILE A 103 -13.705 -2.167 -4.167 1.00 0.00 C ATOM 0 H ILE A 103 -9.865 -2.576 -6.619 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.844 -4.600 -4.469 1.00 0.00 H new ATOM 0 HB ILE A 103 -11.643 -3.599 -3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -12.335 -1.803 -5.761 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -12.931 -3.450 -5.686 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -11.208 -1.150 -3.286 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -9.700 -2.094 -3.269 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.208 -1.256 -4.754 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -14.569 -1.881 -4.766 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -13.980 -2.984 -3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -13.374 -1.312 -3.577 1.00 0.00 H new ATOM 1343 N VAL A 104 -11.985 -5.793 -5.389 1.00 0.00 N ATOM 1344 CA VAL A 104 -12.856 -6.718 -6.097 1.00 0.00 C ATOM 1345 C VAL A 104 -14.318 -6.417 -5.777 1.00 0.00 C ATOM 1346 O VAL A 104 -14.695 -6.295 -4.608 1.00 0.00 O ATOM 1347 CB VAL A 104 -12.531 -8.186 -5.738 1.00 0.00 C ATOM 1348 CG1 VAL A 104 -13.100 -8.560 -4.377 1.00 0.00 C ATOM 1349 CG2 VAL A 104 -13.047 -9.125 -6.817 1.00 0.00 C ATOM 0 H VAL A 104 -11.978 -5.913 -4.376 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.685 -6.584 -7.165 1.00 0.00 H new ATOM 0 HB VAL A 104 -11.447 -8.287 -5.682 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -12.855 -9.598 -4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -12.670 -7.913 -3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -14.183 -8.437 -4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.809 -10.154 -6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -14.127 -9.014 -6.909 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -12.575 -8.881 -7.768 1.00 0.00 H new ATOM 1359 N ARG A 105 -15.131 -6.282 -6.819 1.00 0.00 N ATOM 1360 CA ARG A 105 -16.546 -5.982 -6.650 1.00 0.00 C ATOM 1361 C ARG A 105 -17.410 -7.205 -6.946 1.00 0.00 C ATOM 1362 O ARG A 105 -17.106 -7.989 -7.844 1.00 0.00 O ATOM 1363 CB ARG A 105 -16.952 -4.822 -7.563 1.00 0.00 C ATOM 1364 CG ARG A 105 -17.770 -3.755 -6.859 1.00 0.00 C ATOM 1365 CD ARG A 105 -18.768 -3.104 -7.802 1.00 0.00 C ATOM 1366 NE ARG A 105 -18.118 -2.535 -8.981 1.00 0.00 N ATOM 1367 CZ ARG A 105 -18.677 -1.617 -9.767 1.00 0.00 C ATOM 1368 NH1 ARG A 105 -19.896 -1.161 -9.503 1.00 0.00 N ATOM 1369 NH2 ARG A 105 -18.017 -1.154 -10.819 1.00 0.00 N ATOM 0 H ARG A 105 -14.833 -6.376 -7.790 1.00 0.00 H new ATOM 0 HA ARG A 105 -16.707 -5.696 -5.611 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -16.054 -4.365 -7.978 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -17.527 -5.214 -8.402 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -18.300 -4.199 -6.017 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -17.104 -2.995 -6.451 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -19.505 -3.843 -8.116 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -19.309 -2.320 -7.272 1.00 0.00 H new ATOM 0 HE ARG A 105 -17.180 -2.861 -9.216 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -20.409 -1.514 -8.695 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -20.320 -0.458 -10.108 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -17.081 -1.501 -11.027 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -18.446 -0.451 -11.421 1.00 0.00 H new ATOM 1384 N PRO B -3 -17.103 2.857 13.748 1.00 0.00 N ATOM 1385 CA PRO B -3 -15.731 2.413 13.490 1.00 0.00 C ATOM 1386 C PRO B -3 -14.863 3.521 12.904 1.00 0.00 C ATOM 1387 O PRO B -3 -15.368 4.450 12.273 1.00 0.00 O ATOM 1388 CB PRO B -3 -15.920 1.287 12.475 1.00 0.00 C ATOM 1389 CG PRO B -3 -17.158 1.660 11.730 1.00 0.00 C ATOM 1390 CD PRO B -3 -18.046 2.366 12.721 1.00 0.00 C ATOM 0 H2 PRO B -3 -17.130 3.876 13.774 1.00 0.00 H new ATOM 0 H3 PRO B -3 -17.399 2.527 14.666 1.00 0.00 H new ATOM 0 HA PRO B -3 -15.218 2.107 14.402 1.00 0.00 H new ATOM 0 HB2 PRO B -3 -15.063 1.207 11.806 1.00 0.00 H new ATOM 0 HB3 PRO B -3 -16.030 0.322 12.969 1.00 0.00 H new ATOM 0 HG2 PRO B -3 -16.924 2.308 10.886 1.00 0.00 H new ATOM 0 HG3 PRO B -3 -17.651 0.776 11.326 1.00 0.00 H new ATOM 0 HD2 PRO B -3 -18.593 3.186 12.255 1.00 0.00 H new ATOM 0 HD3 PRO B -3 -18.787 1.690 13.148 1.00 0.00 H new ATOM 1398 N VAL B -2 -13.553 3.415 13.111 1.00 0.00 N ATOM 1399 CA VAL B -2 -12.617 4.409 12.598 1.00 0.00 C ATOM 1400 C VAL B -2 -12.701 4.503 11.079 1.00 0.00 C ATOM 1401 O VAL B -2 -12.847 3.491 10.392 1.00 0.00 O ATOM 1402 CB VAL B -2 -11.168 4.080 13.004 1.00 0.00 C ATOM 1403 CG1 VAL B -2 -10.238 5.226 12.640 1.00 0.00 C ATOM 1404 CG2 VAL B -2 -11.087 3.771 14.490 1.00 0.00 C ATOM 0 H VAL B -2 -13.117 2.652 13.629 1.00 0.00 H new ATOM 0 HA VAL B -2 -12.897 5.367 13.036 1.00 0.00 H new ATOM 0 HB VAL B -2 -10.849 3.195 12.454 1.00 0.00 H new ATOM 0 HG11 VAL B -2 -9.219 4.975 12.935 1.00 0.00 H new ATOM 0 HG12 VAL B -2 -10.273 5.396 11.564 1.00 0.00 H new ATOM 0 HG13 VAL B -2 -10.554 6.130 13.160 1.00 0.00 H new ATOM 0 HG21 VAL B -2 -10.056 3.541 14.758 1.00 0.00 H new ATOM 0 HG22 VAL B -2 -11.426 4.636 15.060 1.00 0.00 H new ATOM 0 HG23 VAL B -2 -11.721 2.914 14.719 1.00 0.00 H new ATOM 1414 N TYR B -1 -12.613 5.723 10.557 1.00 0.00 N ATOM 1415 CA TYR B -1 -12.683 5.943 9.118 1.00 0.00 C ATOM 1416 C TYR B -1 -11.328 6.357 8.553 1.00 0.00 C ATOM 1417 O TYR B -1 -10.672 7.255 9.082 1.00 0.00 O ATOM 1418 CB TYR B -1 -13.725 7.015 8.795 1.00 0.00 C ATOM 1419 CG TYR B -1 -15.147 6.498 8.787 1.00 0.00 C ATOM 1420 CD1 TYR B -1 -15.840 6.306 9.976 1.00 0.00 C ATOM 1421 CD2 TYR B -1 -15.796 6.206 7.594 1.00 0.00 C ATOM 1422 CE1 TYR B -1 -17.139 5.836 9.975 1.00 0.00 C ATOM 1423 CE2 TYR B -1 -17.094 5.735 7.587 1.00 0.00 C ATOM 1424 CZ TYR B -1 -17.761 5.551 8.779 1.00 0.00 C ATOM 1425 OH TYR B -1 -19.055 5.082 8.774 1.00 0.00 O ATOM 0 H TYR B -1 -12.493 6.572 11.109 1.00 0.00 H new ATOM 0 HA TYR B -1 -12.975 5.002 8.653 1.00 0.00 H new ATOM 0 HB2 TYR B -1 -13.644 7.819 9.526 1.00 0.00 H new ATOM 0 HB3 TYR B -1 -13.499 7.447 7.820 1.00 0.00 H new ATOM 0 HD1 TYR B -1 -15.356 6.528 10.915 1.00 0.00 H new ATOM 0 HD2 TYR B -1 -15.277 6.350 6.658 1.00 0.00 H new ATOM 0 HE1 TYR B -1 -17.665 5.693 10.907 1.00 0.00 H new ATOM 0 HE2 TYR B -1 -17.585 5.512 6.651 1.00 0.00 H new ATOM 0 HH TYR B -1 -19.124 4.307 9.370 1.00 0.00 H new ATOM 1435 N ILE B 0 -10.922 5.701 7.472 1.00 0.00 N ATOM 1436 CA ILE B 0 -9.651 6.004 6.825 1.00 0.00 C ATOM 1437 C ILE B 0 -9.864 6.896 5.614 1.00 0.00 C ATOM 1438 O ILE B 0 -11.036 7.211 5.312 1.00 0.00 O ATOM 1439 CB ILE B 0 -8.910 4.721 6.392 1.00 0.00 C ATOM 1440 CG1 ILE B 0 -9.753 3.903 5.406 1.00 0.00 C ATOM 1441 CG2 ILE B 0 -8.560 3.881 7.610 1.00 0.00 C ATOM 1442 CD1 ILE B 0 -9.974 4.578 4.066 1.00 0.00 C ATOM 1443 OXT ILE B 0 -8.860 7.267 4.968 1.00 0.00 O ATOM 0 H ILE B 0 -11.455 4.955 7.025 1.00 0.00 H new ATOM 0 HA ILE B 0 -9.036 6.526 7.558 1.00 0.00 H new ATOM 0 HB ILE B 0 -7.990 5.014 5.887 1.00 0.00 H new ATOM 0 HG12 ILE B 0 -9.266 2.942 5.240 1.00 0.00 H new ATOM 0 HG13 ILE B 0 -10.722 3.695 5.860 1.00 0.00 H new ATOM 0 HG21 ILE B 0 -8.038 2.979 7.292 1.00 0.00 H new ATOM 0 HG22 ILE B 0 -7.917 4.456 8.276 1.00 0.00 H new ATOM 0 HG23 ILE B 0 -9.474 3.605 8.136 1.00 0.00 H new ATOM 0 HD11 ILE B 0 -10.579 3.933 3.429 1.00 0.00 H new ATOM 0 HD12 ILE B 0 -10.490 5.526 4.217 1.00 0.00 H new ATOM 0 HD13 ILE B 0 -9.012 4.761 3.588 1.00 0.00 H new