USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 837 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 76 ASN : amide:sc= -3.27! K(o=-2.7!,f=-0.32) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 178:sc= 0.518 (180deg=0.51) USER MOD Set 2.1: A 44 ASN : amide:sc= -1.58 K(o=-2.3,f=-7.3!) USER MOD Set 2.2: A 45 ASN : amide:sc= -1.02 K(o=-2.3,f=-2.9) USER MOD Set 2.3: A 79 SER OG : rot -92:sc= 0.293 USER MOD Set 3.1: A 3 LYS NZ :NH3+ -146:sc= -2.53! (180deg=-1.06) USER MOD Set 3.2: A 38 GLN : amide:sc= -0.363 K(o=-2.9,f=0.5) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.209 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.182 X(o=-0.18,f=0) USER MOD Single : A 14 GLN : amide:sc= -0.0775 X(o=-0.077,f=-0.57) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 83:sc= 1.22 USER MOD Single : A 29 GLN : amide:sc= -0.026 X(o=-0.026,f=-0.026) USER MOD Single : A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot -140:sc= -2.33! USER MOD Single : A 35 ASN : amide:sc= -1.1 K(o=-1.1,f=-5.1!) USER MOD Single : A 39 CYS SG : rot 180:sc= -0.168 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.33 K(o=-3.3,f=-2) USER MOD Single : A 53 THR OG1 : rot -27:sc= 0.442 USER MOD Single : A 57 SER OG : rot 180:sc= -0.275 USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 67 LYS NZ :NH3+ -139:sc= -0.0448 (180deg=-0.866) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 161:sc= -0.0505 (180deg=-0.655) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= -4.83! K(o=-4.8!,f=-2.1) USER MOD Single : A 86 SER OG : rot 150:sc= -0.508 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -4.84! C(o=-4.8!,f=-3.1!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N LYS A 3 -6.452 8.592 0.259 1.00 0.00 N ATOM 42 CA LYS A 3 -7.445 9.586 0.755 1.00 0.00 C ATOM 43 C LYS A 3 -8.010 9.148 2.111 1.00 0.00 C ATOM 44 O LYS A 3 -8.048 9.918 3.049 1.00 0.00 O ATOM 45 CB LYS A 3 -8.588 9.707 -0.254 1.00 0.00 C ATOM 46 CG LYS A 3 -8.073 10.370 -1.534 1.00 0.00 C ATOM 47 CD LYS A 3 -9.216 10.489 -2.544 1.00 0.00 C ATOM 48 CE LYS A 3 -8.685 11.083 -3.849 1.00 0.00 C ATOM 49 NZ LYS A 3 -7.539 10.265 -4.337 1.00 0.00 N ATOM 0 HA LYS A 3 -6.949 10.549 0.874 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -8.993 8.721 -0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -9.401 10.295 0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -7.670 11.357 -1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -7.259 9.782 -1.958 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -9.654 9.508 -2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -10.008 11.120 -2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -9.475 11.105 -4.599 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.368 12.114 -3.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -6.847 10.883 -4.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -7.086 9.788 -3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.883 9.553 -5.012 1.00 0.00 H new ATOM 63 N PHE A 4 -8.461 7.924 2.224 1.00 0.00 N ATOM 64 CA PHE A 4 -9.034 7.458 3.525 1.00 0.00 C ATOM 65 C PHE A 4 -7.912 7.076 4.495 1.00 0.00 C ATOM 66 O PHE A 4 -6.784 6.844 4.104 1.00 0.00 O ATOM 67 CB PHE A 4 -9.971 6.266 3.306 1.00 0.00 C ATOM 68 CG PHE A 4 -9.346 5.248 2.386 1.00 0.00 C ATOM 69 CD1 PHE A 4 -9.446 5.419 1.005 1.00 0.00 C ATOM 70 CD2 PHE A 4 -8.700 4.120 2.907 1.00 0.00 C ATOM 71 CE1 PHE A 4 -8.896 4.470 0.136 1.00 0.00 C ATOM 72 CE2 PHE A 4 -8.156 3.168 2.041 1.00 0.00 C ATOM 73 CZ PHE A 4 -8.253 3.343 0.653 1.00 0.00 C ATOM 0 H PHE A 4 -8.458 7.230 1.476 1.00 0.00 H new ATOM 0 HA PHE A 4 -9.610 8.276 3.958 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -10.203 5.801 4.264 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -10.914 6.613 2.883 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -9.950 6.287 0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -8.622 3.986 3.976 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.969 4.609 -0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -7.660 2.296 2.441 1.00 0.00 H new ATOM 0 HZ PHE A 4 -7.831 2.607 -0.015 1.00 0.00 H new ATOM 83 N THR A 5 -8.218 7.025 5.767 1.00 0.00 N ATOM 84 CA THR A 5 -7.187 6.679 6.791 1.00 0.00 C ATOM 85 C THR A 5 -7.123 5.170 6.981 1.00 0.00 C ATOM 86 O THR A 5 -8.030 4.440 6.630 1.00 0.00 O ATOM 87 CB THR A 5 -7.526 7.332 8.128 1.00 0.00 C ATOM 88 OG1 THR A 5 -6.669 6.812 9.136 1.00 0.00 O ATOM 89 CG2 THR A 5 -8.976 7.037 8.491 1.00 0.00 C ATOM 0 H THR A 5 -9.148 7.210 6.143 1.00 0.00 H new ATOM 0 HA THR A 5 -6.222 7.047 6.441 1.00 0.00 H new ATOM 0 HB THR A 5 -7.388 8.410 8.050 1.00 0.00 H new ATOM 0 HG1 THR A 5 -6.883 7.231 9.996 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.214 7.505 9.446 1.00 0.00 H new ATOM 0 HG22 THR A 5 -9.633 7.435 7.718 1.00 0.00 H new ATOM 0 HG23 THR A 5 -9.120 5.959 8.569 1.00 0.00 H new ATOM 97 N GLU A 6 -6.047 4.707 7.536 1.00 0.00 N ATOM 98 CA GLU A 6 -5.881 3.244 7.768 1.00 0.00 C ATOM 99 C GLU A 6 -7.141 2.672 8.422 1.00 0.00 C ATOM 100 O GLU A 6 -7.605 1.614 8.060 1.00 0.00 O ATOM 101 CB GLU A 6 -4.681 3.007 8.688 1.00 0.00 C ATOM 102 CG GLU A 6 -3.454 3.726 8.123 1.00 0.00 C ATOM 103 CD GLU A 6 -2.206 3.293 8.898 1.00 0.00 C ATOM 104 OE1 GLU A 6 -2.196 3.461 10.105 1.00 0.00 O ATOM 105 OE2 GLU A 6 -1.283 2.803 8.268 1.00 0.00 O ATOM 0 H GLU A 6 -5.263 5.282 7.844 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.716 2.748 6.812 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.900 3.373 9.691 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -4.482 1.939 8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -3.337 3.492 7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.585 4.805 8.198 1.00 0.00 H new ATOM 112 N GLU A 7 -7.702 3.360 9.381 1.00 0.00 N ATOM 113 CA GLU A 7 -8.932 2.839 10.054 1.00 0.00 C ATOM 114 C GLU A 7 -9.961 2.410 9.000 1.00 0.00 C ATOM 115 O GLU A 7 -10.651 1.413 9.146 1.00 0.00 O ATOM 116 CB GLU A 7 -9.537 3.937 10.935 1.00 0.00 C ATOM 117 CG GLU A 7 -8.483 4.442 11.923 1.00 0.00 C ATOM 118 CD GLU A 7 -8.110 3.318 12.891 1.00 0.00 C ATOM 119 OE1 GLU A 7 -8.994 2.840 13.583 1.00 0.00 O ATOM 120 OE2 GLU A 7 -6.946 2.954 12.925 1.00 0.00 O ATOM 0 H GLU A 7 -7.364 4.258 9.728 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.666 1.979 10.669 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.893 4.760 10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -10.400 3.549 11.476 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.598 4.781 11.385 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -8.868 5.299 12.475 1.00 0.00 H new ATOM 127 N GLU A 8 -10.066 3.145 7.928 1.00 0.00 N ATOM 128 CA GLU A 8 -11.042 2.769 6.875 1.00 0.00 C ATOM 129 C GLU A 8 -10.544 1.486 6.200 1.00 0.00 C ATOM 130 O GLU A 8 -11.298 0.560 5.977 1.00 0.00 O ATOM 131 CB GLU A 8 -11.160 3.936 5.862 1.00 0.00 C ATOM 132 CG GLU A 8 -12.624 4.374 5.681 1.00 0.00 C ATOM 133 CD GLU A 8 -13.404 3.275 4.959 1.00 0.00 C ATOM 134 OE1 GLU A 8 -13.032 2.947 3.847 1.00 0.00 O ATOM 135 OE2 GLU A 8 -14.363 2.783 5.531 1.00 0.00 O ATOM 0 H GLU A 8 -9.520 3.985 7.738 1.00 0.00 H new ATOM 0 HA GLU A 8 -12.031 2.584 7.295 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -10.565 4.782 6.207 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.749 3.629 4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -13.076 4.576 6.652 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -12.669 5.301 5.109 1.00 0.00 H new ATOM 142 N ASP A 9 -9.270 1.418 5.892 1.00 0.00 N ATOM 143 CA ASP A 9 -8.717 0.183 5.246 1.00 0.00 C ATOM 144 C ASP A 9 -9.196 -1.046 6.025 1.00 0.00 C ATOM 145 O ASP A 9 -9.320 -2.130 5.490 1.00 0.00 O ATOM 146 CB ASP A 9 -7.184 0.227 5.248 1.00 0.00 C ATOM 147 CG ASP A 9 -6.636 -1.081 4.669 1.00 0.00 C ATOM 148 OD1 ASP A 9 -7.156 -1.524 3.659 1.00 0.00 O ATOM 149 OD2 ASP A 9 -5.710 -1.618 5.252 1.00 0.00 O ATOM 0 H ASP A 9 -8.591 2.161 6.059 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.066 0.128 4.215 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.833 1.074 4.658 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.815 0.371 6.263 1.00 0.00 H new ATOM 154 N LEU A 10 -9.489 -0.879 7.285 1.00 0.00 N ATOM 155 CA LEU A 10 -9.988 -2.028 8.088 1.00 0.00 C ATOM 156 C LEU A 10 -11.448 -2.252 7.699 1.00 0.00 C ATOM 157 O LEU A 10 -11.909 -3.371 7.556 1.00 0.00 O ATOM 158 CB LEU A 10 -9.878 -1.714 9.593 1.00 0.00 C ATOM 159 CG LEU A 10 -8.617 -0.894 9.859 1.00 0.00 C ATOM 160 CD1 LEU A 10 -8.466 -0.660 11.361 1.00 0.00 C ATOM 161 CD2 LEU A 10 -7.386 -1.637 9.325 1.00 0.00 C ATOM 0 H LEU A 10 -9.404 0.002 7.792 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.396 -2.922 7.892 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.758 -1.163 9.924 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.848 -2.641 10.166 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.701 0.066 9.349 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.566 -0.075 11.549 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -9.335 -0.119 11.734 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.389 -1.619 11.873 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.491 -1.045 9.519 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.298 -2.602 9.825 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.492 -1.793 8.251 1.00 0.00 H new ATOM 173 N LYS A 11 -12.173 -1.183 7.502 1.00 0.00 N ATOM 174 CA LYS A 11 -13.597 -1.325 7.099 1.00 0.00 C ATOM 175 C LYS A 11 -13.642 -1.972 5.713 1.00 0.00 C ATOM 176 O LYS A 11 -14.601 -2.619 5.349 1.00 0.00 O ATOM 177 CB LYS A 11 -14.266 0.053 7.058 1.00 0.00 C ATOM 178 CG LYS A 11 -14.509 0.546 8.490 1.00 0.00 C ATOM 179 CD LYS A 11 -14.994 2.003 8.470 1.00 0.00 C ATOM 180 CE LYS A 11 -16.383 2.099 7.822 1.00 0.00 C ATOM 181 NZ LYS A 11 -17.018 3.390 8.210 1.00 0.00 N ATOM 0 H LYS A 11 -11.841 -0.224 7.603 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.131 -1.946 7.818 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.634 0.760 6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.210 -0.005 6.517 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.250 -0.086 8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.590 0.468 9.071 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -15.033 2.393 9.487 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -14.285 2.621 7.918 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.296 2.034 6.737 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.005 1.263 8.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -17.959 3.459 7.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -17.113 3.433 9.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -16.426 4.180 7.883 1.00 0.00 H new ATOM 195 N LEU A 12 -12.598 -1.816 4.942 1.00 0.00 N ATOM 196 CA LEU A 12 -12.571 -2.437 3.591 1.00 0.00 C ATOM 197 C LEU A 12 -12.515 -3.954 3.761 1.00 0.00 C ATOM 198 O LEU A 12 -13.276 -4.679 3.170 1.00 0.00 O ATOM 199 CB LEU A 12 -11.321 -1.955 2.826 1.00 0.00 C ATOM 200 CG LEU A 12 -11.639 -0.714 1.987 1.00 0.00 C ATOM 201 CD1 LEU A 12 -12.074 0.433 2.900 1.00 0.00 C ATOM 202 CD2 LEU A 12 -10.384 -0.302 1.217 1.00 0.00 C ATOM 0 H LEU A 12 -11.764 -1.285 5.192 1.00 0.00 H new ATOM 0 HA LEU A 12 -13.461 -2.154 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.523 -1.727 3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.956 -2.753 2.179 1.00 0.00 H new ATOM 0 HG LEU A 12 -12.447 -0.941 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -12.299 1.313 2.297 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.963 0.138 3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.270 0.667 3.598 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.600 0.581 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.583 -0.075 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.073 -1.118 0.564 1.00 0.00 H new ATOM 214 N GLN A 13 -11.618 -4.447 4.562 1.00 0.00 N ATOM 215 CA GLN A 13 -11.529 -5.921 4.730 1.00 0.00 C ATOM 216 C GLN A 13 -12.909 -6.480 5.085 1.00 0.00 C ATOM 217 O GLN A 13 -13.306 -7.514 4.595 1.00 0.00 O ATOM 218 CB GLN A 13 -10.554 -6.230 5.869 1.00 0.00 C ATOM 219 CG GLN A 13 -10.499 -7.740 6.128 1.00 0.00 C ATOM 220 CD GLN A 13 -9.396 -8.029 7.144 1.00 0.00 C ATOM 221 OE1 GLN A 13 -8.596 -8.924 6.955 1.00 0.00 O ATOM 222 NE2 GLN A 13 -9.322 -7.300 8.222 1.00 0.00 N ATOM 0 H GLN A 13 -10.948 -3.900 5.103 1.00 0.00 H new ATOM 0 HA GLN A 13 -11.180 -6.377 3.803 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -9.560 -5.861 5.616 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -10.866 -5.710 6.775 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.459 -8.093 6.504 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.304 -8.275 5.198 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -9.995 -6.550 8.377 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -8.591 -7.480 8.910 1.00 0.00 H new ATOM 231 N GLN A 14 -13.643 -5.812 5.927 1.00 0.00 N ATOM 232 CA GLN A 14 -14.995 -6.339 6.310 1.00 0.00 C ATOM 233 C GLN A 14 -16.045 -6.047 5.231 1.00 0.00 C ATOM 234 O GLN A 14 -16.680 -6.945 4.717 1.00 0.00 O ATOM 235 CB GLN A 14 -15.456 -5.681 7.602 1.00 0.00 C ATOM 236 CG GLN A 14 -14.370 -5.815 8.673 1.00 0.00 C ATOM 237 CD GLN A 14 -14.127 -7.294 8.976 1.00 0.00 C ATOM 238 OE1 GLN A 14 -13.158 -7.868 8.520 1.00 0.00 O ATOM 239 NE2 GLN A 14 -14.972 -7.940 9.731 1.00 0.00 N ATOM 0 H GLN A 14 -13.375 -4.932 6.367 1.00 0.00 H new ATOM 0 HA GLN A 14 -14.899 -7.418 6.431 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -15.676 -4.628 7.425 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -16.379 -6.146 7.948 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -13.447 -5.347 8.330 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -14.674 -5.293 9.580 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -15.785 -7.458 10.114 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -14.819 -8.927 9.939 1.00 0.00 H new ATOM 248 N LEU A 15 -16.259 -4.802 4.900 1.00 0.00 N ATOM 249 CA LEU A 15 -17.294 -4.478 3.877 1.00 0.00 C ATOM 250 C LEU A 15 -16.992 -5.251 2.605 1.00 0.00 C ATOM 251 O LEU A 15 -17.827 -5.956 2.076 1.00 0.00 O ATOM 252 CB LEU A 15 -17.277 -2.977 3.572 1.00 0.00 C ATOM 253 CG LEU A 15 -17.541 -2.163 4.855 1.00 0.00 C ATOM 254 CD1 LEU A 15 -17.127 -0.706 4.628 1.00 0.00 C ATOM 255 CD2 LEU A 15 -19.034 -2.210 5.228 1.00 0.00 C ATOM 0 H LEU A 15 -15.765 -4.000 5.291 1.00 0.00 H new ATOM 0 HA LEU A 15 -18.277 -4.754 4.258 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -16.313 -2.697 3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -18.034 -2.743 2.823 1.00 0.00 H new ATOM 0 HG LEU A 15 -16.959 -2.596 5.668 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -17.313 -0.129 5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -16.066 -0.663 4.382 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -17.707 -0.287 3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -19.201 -1.630 6.136 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -19.626 -1.789 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -19.334 -3.244 5.398 1.00 0.00 H new ATOM 267 N VAL A 16 -15.793 -5.132 2.120 1.00 0.00 N ATOM 268 CA VAL A 16 -15.413 -5.860 0.887 1.00 0.00 C ATOM 269 C VAL A 16 -15.751 -7.341 1.061 1.00 0.00 C ATOM 270 O VAL A 16 -16.177 -7.995 0.131 1.00 0.00 O ATOM 271 CB VAL A 16 -13.916 -5.685 0.628 1.00 0.00 C ATOM 272 CG1 VAL A 16 -13.569 -6.335 -0.711 1.00 0.00 C ATOM 273 CG2 VAL A 16 -13.554 -4.179 0.583 1.00 0.00 C ATOM 0 H VAL A 16 -15.056 -4.558 2.528 1.00 0.00 H new ATOM 0 HA VAL A 16 -15.963 -5.462 0.034 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.350 -6.157 1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.503 -6.217 -0.907 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.816 -7.396 -0.675 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.140 -5.856 -1.507 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.486 -4.067 0.398 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.114 -3.694 -0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.808 -3.715 1.536 1.00 0.00 H new ATOM 283 N MET A 17 -15.593 -7.878 2.247 1.00 0.00 N ATOM 284 CA MET A 17 -15.943 -9.306 2.446 1.00 0.00 C ATOM 285 C MET A 17 -17.417 -9.493 2.081 1.00 0.00 C ATOM 286 O MET A 17 -17.801 -10.481 1.486 1.00 0.00 O ATOM 287 CB MET A 17 -15.716 -9.681 3.918 1.00 0.00 C ATOM 288 CG MET A 17 -15.634 -11.199 4.077 1.00 0.00 C ATOM 289 SD MET A 17 -17.261 -11.937 3.786 1.00 0.00 S ATOM 290 CE MET A 17 -16.690 -13.621 3.452 1.00 0.00 C ATOM 0 H MET A 17 -15.241 -7.391 3.071 1.00 0.00 H new ATOM 0 HA MET A 17 -15.322 -9.945 1.818 1.00 0.00 H new ATOM 0 HB2 MET A 17 -14.796 -9.221 4.279 1.00 0.00 H new ATOM 0 HB3 MET A 17 -16.529 -9.289 4.529 1.00 0.00 H new ATOM 0 HG2 MET A 17 -14.908 -11.608 3.374 1.00 0.00 H new ATOM 0 HG3 MET A 17 -15.285 -11.450 5.079 1.00 0.00 H new ATOM 0 HE1 MET A 17 -17.547 -14.261 3.242 1.00 0.00 H new ATOM 0 HE2 MET A 17 -16.022 -13.615 2.590 1.00 0.00 H new ATOM 0 HE3 MET A 17 -16.156 -14.003 4.322 1.00 0.00 H new ATOM 300 N ARG A 18 -18.247 -8.546 2.433 1.00 0.00 N ATOM 301 CA ARG A 18 -19.693 -8.667 2.104 1.00 0.00 C ATOM 302 C ARG A 18 -19.876 -8.587 0.584 1.00 0.00 C ATOM 303 O ARG A 18 -20.819 -9.123 0.036 1.00 0.00 O ATOM 304 CB ARG A 18 -20.467 -7.524 2.779 1.00 0.00 C ATOM 305 CG ARG A 18 -21.991 -7.767 2.682 1.00 0.00 C ATOM 306 CD ARG A 18 -22.468 -8.695 3.810 1.00 0.00 C ATOM 307 NE ARG A 18 -23.957 -8.771 3.790 1.00 0.00 N ATOM 308 CZ ARG A 18 -24.578 -9.630 4.553 1.00 0.00 C ATOM 309 NH1 ARG A 18 -23.895 -10.422 5.335 1.00 0.00 N ATOM 310 NH2 ARG A 18 -25.880 -9.695 4.534 1.00 0.00 N ATOM 0 H ARG A 18 -17.984 -7.697 2.933 1.00 0.00 H new ATOM 0 HA ARG A 18 -20.073 -9.623 2.465 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -20.172 -7.446 3.825 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -20.214 -6.576 2.305 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -22.520 -6.816 2.739 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -22.233 -8.208 1.715 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -22.040 -9.689 3.684 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -22.125 -8.320 4.774 1.00 0.00 H new ATOM 0 HE ARG A 18 -24.491 -8.152 3.180 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -22.876 -10.370 5.350 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -24.380 -11.093 5.931 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -26.413 -9.075 3.924 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -26.366 -10.366 5.130 1.00 0.00 H new ATOM 324 N TYR A 19 -18.979 -7.916 -0.101 1.00 0.00 N ATOM 325 CA TYR A 19 -19.087 -7.789 -1.590 1.00 0.00 C ATOM 326 C TYR A 19 -18.144 -8.793 -2.258 1.00 0.00 C ATOM 327 O TYR A 19 -18.151 -8.964 -3.460 1.00 0.00 O ATOM 328 CB TYR A 19 -18.700 -6.365 -1.990 1.00 0.00 C ATOM 329 CG TYR A 19 -19.643 -5.395 -1.309 1.00 0.00 C ATOM 330 CD1 TYR A 19 -20.968 -5.290 -1.750 1.00 0.00 C ATOM 331 CD2 TYR A 19 -19.204 -4.615 -0.231 1.00 0.00 C ATOM 332 CE1 TYR A 19 -21.850 -4.410 -1.113 1.00 0.00 C ATOM 333 CE2 TYR A 19 -20.084 -3.733 0.404 1.00 0.00 C ATOM 334 CZ TYR A 19 -21.409 -3.631 -0.036 1.00 0.00 C ATOM 335 OH TYR A 19 -22.280 -2.763 0.591 1.00 0.00 O ATOM 0 H TYR A 19 -18.172 -7.448 0.311 1.00 0.00 H new ATOM 0 HA TYR A 19 -20.108 -7.996 -1.911 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.670 -6.158 -1.699 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.755 -6.249 -3.072 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -21.309 -5.888 -2.582 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -18.183 -4.695 0.111 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -22.872 -4.331 -1.452 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.742 -3.131 1.233 1.00 0.00 H new ATOM 0 HH TYR A 19 -21.814 -2.300 1.318 1.00 0.00 H new ATOM 345 N GLY A 20 -17.336 -9.463 -1.478 1.00 0.00 N ATOM 346 CA GLY A 20 -16.386 -10.468 -2.040 1.00 0.00 C ATOM 347 C GLY A 20 -15.047 -9.796 -2.331 1.00 0.00 C ATOM 348 O GLY A 20 -14.085 -9.995 -1.619 1.00 0.00 O ATOM 0 H GLY A 20 -17.294 -9.355 -0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -16.248 -11.288 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -16.795 -10.899 -2.954 1.00 0.00 H new ATOM 352 N ALA A 21 -15.004 -8.999 -3.375 1.00 0.00 N ATOM 353 CA ALA A 21 -13.753 -8.263 -3.788 1.00 0.00 C ATOM 354 C ALA A 21 -13.788 -8.035 -5.309 1.00 0.00 C ATOM 355 O ALA A 21 -12.769 -8.065 -5.973 1.00 0.00 O ATOM 356 CB ALA A 21 -12.486 -9.066 -3.419 1.00 0.00 C ATOM 0 H ALA A 21 -15.807 -8.820 -3.978 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.718 -7.310 -3.260 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.600 -8.511 -3.729 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.457 -9.224 -2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.506 -10.030 -3.927 1.00 0.00 H new ATOM 362 N LYS A 22 -14.949 -7.813 -5.875 1.00 0.00 N ATOM 363 CA LYS A 22 -15.034 -7.593 -7.359 1.00 0.00 C ATOM 364 C LYS A 22 -16.138 -6.581 -7.698 1.00 0.00 C ATOM 365 O LYS A 22 -16.304 -6.212 -8.844 1.00 0.00 O ATOM 366 CB LYS A 22 -15.336 -8.927 -8.046 1.00 0.00 C ATOM 367 CG LYS A 22 -16.523 -9.609 -7.355 1.00 0.00 C ATOM 368 CD LYS A 22 -17.032 -10.770 -8.220 1.00 0.00 C ATOM 369 CE LYS A 22 -15.951 -11.852 -8.340 1.00 0.00 C ATOM 370 NZ LYS A 22 -16.574 -13.121 -8.815 1.00 0.00 N ATOM 0 H LYS A 22 -15.840 -7.774 -5.379 1.00 0.00 H new ATOM 0 HA LYS A 22 -14.082 -7.196 -7.711 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -15.563 -8.761 -9.099 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -14.460 -9.574 -8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.221 -9.979 -6.375 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.323 -8.888 -7.191 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.934 -11.194 -7.779 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.303 -10.404 -9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.175 -11.532 -9.036 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.469 -12.009 -7.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -15.844 -13.857 -8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.299 -13.427 -8.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.015 -12.965 -9.744 1.00 0.00 H new ATOM 384 N ASP A 23 -16.882 -6.118 -6.719 1.00 0.00 N ATOM 385 CA ASP A 23 -17.967 -5.115 -6.983 1.00 0.00 C ATOM 386 C ASP A 23 -17.530 -3.768 -6.410 1.00 0.00 C ATOM 387 O ASP A 23 -18.269 -3.109 -5.706 1.00 0.00 O ATOM 388 CB ASP A 23 -19.261 -5.570 -6.301 1.00 0.00 C ATOM 389 CG ASP A 23 -19.516 -7.043 -6.625 1.00 0.00 C ATOM 390 OD1 ASP A 23 -19.992 -7.316 -7.715 1.00 0.00 O ATOM 391 OD2 ASP A 23 -19.232 -7.873 -5.776 1.00 0.00 O ATOM 0 H ASP A 23 -16.784 -6.394 -5.742 1.00 0.00 H new ATOM 0 HA ASP A 23 -18.144 -5.025 -8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -19.185 -5.432 -5.223 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -20.098 -4.961 -6.642 1.00 0.00 H new ATOM 396 N TRP A 24 -16.328 -3.363 -6.705 1.00 0.00 N ATOM 397 CA TRP A 24 -15.825 -2.066 -6.177 1.00 0.00 C ATOM 398 C TRP A 24 -16.651 -0.922 -6.757 1.00 0.00 C ATOM 399 O TRP A 24 -16.612 0.193 -6.275 1.00 0.00 O ATOM 400 CB TRP A 24 -14.356 -1.907 -6.562 1.00 0.00 C ATOM 401 CG TRP A 24 -13.594 -3.036 -5.963 1.00 0.00 C ATOM 402 CD1 TRP A 24 -13.287 -4.196 -6.584 1.00 0.00 C ATOM 403 CD2 TRP A 24 -13.058 -3.132 -4.623 1.00 0.00 C ATOM 404 NE1 TRP A 24 -12.581 -4.997 -5.704 1.00 0.00 N ATOM 405 CE2 TRP A 24 -12.418 -4.381 -4.476 1.00 0.00 C ATOM 406 CE3 TRP A 24 -13.066 -2.252 -3.534 1.00 0.00 C ATOM 407 CZ2 TRP A 24 -11.804 -4.745 -3.277 1.00 0.00 C ATOM 408 CZ3 TRP A 24 -12.453 -2.609 -2.330 1.00 0.00 C ATOM 409 CH2 TRP A 24 -11.823 -3.853 -2.198 1.00 0.00 C ATOM 0 H TRP A 24 -15.670 -3.876 -7.291 1.00 0.00 H new ATOM 0 HA TRP A 24 -15.916 -2.047 -5.091 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -14.245 -1.906 -7.646 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -13.969 -0.954 -6.201 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -13.549 -4.455 -7.599 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -12.225 -5.925 -5.932 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -13.549 -1.291 -3.625 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -11.319 -5.705 -3.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -12.465 -1.922 -1.497 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.352 -4.124 -1.265 1.00 0.00 H new ATOM 420 N ILE A 25 -17.420 -1.194 -7.772 1.00 0.00 N ATOM 421 CA ILE A 25 -18.269 -0.130 -8.359 1.00 0.00 C ATOM 422 C ILE A 25 -19.393 0.158 -7.371 1.00 0.00 C ATOM 423 O ILE A 25 -19.849 1.272 -7.232 1.00 0.00 O ATOM 424 CB ILE A 25 -18.852 -0.605 -9.700 1.00 0.00 C ATOM 425 CG1 ILE A 25 -19.320 -2.060 -9.578 1.00 0.00 C ATOM 426 CG2 ILE A 25 -17.781 -0.511 -10.791 1.00 0.00 C ATOM 427 CD1 ILE A 25 -20.133 -2.439 -10.817 1.00 0.00 C ATOM 0 H ILE A 25 -17.496 -2.108 -8.219 1.00 0.00 H new ATOM 0 HA ILE A 25 -17.684 0.771 -8.544 1.00 0.00 H new ATOM 0 HB ILE A 25 -19.699 0.029 -9.962 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -18.460 -2.723 -9.477 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -19.926 -2.185 -8.680 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -18.198 -0.848 -11.740 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -17.450 0.523 -10.887 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -16.932 -1.141 -10.523 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -20.466 -3.473 -10.731 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -21.000 -1.784 -10.897 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -19.513 -2.330 -11.707 1.00 0.00 H new ATOM 439 N ARG A 26 -19.830 -0.850 -6.668 1.00 0.00 N ATOM 440 CA ARG A 26 -20.912 -0.659 -5.673 1.00 0.00 C ATOM 441 C ARG A 26 -20.307 -0.061 -4.413 1.00 0.00 C ATOM 442 O ARG A 26 -20.797 0.905 -3.866 1.00 0.00 O ATOM 443 CB ARG A 26 -21.545 -2.011 -5.345 1.00 0.00 C ATOM 444 CG ARG A 26 -22.780 -1.802 -4.468 1.00 0.00 C ATOM 445 CD ARG A 26 -23.382 -3.160 -4.097 1.00 0.00 C ATOM 446 NE ARG A 26 -24.041 -3.755 -5.294 1.00 0.00 N ATOM 447 CZ ARG A 26 -24.442 -4.997 -5.269 1.00 0.00 C ATOM 448 NH1 ARG A 26 -24.267 -5.719 -4.197 1.00 0.00 N ATOM 449 NH2 ARG A 26 -25.020 -5.516 -6.317 1.00 0.00 N ATOM 0 H ARG A 26 -19.478 -1.804 -6.744 1.00 0.00 H new ATOM 0 HA ARG A 26 -21.678 0.006 -6.072 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -21.823 -2.526 -6.265 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -20.824 -2.646 -4.830 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -22.509 -1.254 -3.565 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -23.517 -1.199 -4.998 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -22.602 -3.827 -3.729 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -24.106 -3.041 -3.291 1.00 0.00 H new ATOM 0 HE ARG A 26 -24.179 -3.192 -6.133 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -23.816 -5.313 -3.377 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -24.581 -6.689 -4.179 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -25.158 -4.951 -7.155 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -25.334 -6.486 -6.298 1.00 0.00 H new ATOM 463 N ILE A 27 -19.233 -0.626 -3.948 1.00 0.00 N ATOM 464 CA ILE A 27 -18.590 -0.082 -2.730 1.00 0.00 C ATOM 465 C ILE A 27 -18.230 1.385 -2.974 1.00 0.00 C ATOM 466 O ILE A 27 -18.265 2.207 -2.077 1.00 0.00 O ATOM 467 CB ILE A 27 -17.315 -0.871 -2.418 1.00 0.00 C ATOM 468 CG1 ILE A 27 -17.626 -2.369 -2.420 1.00 0.00 C ATOM 469 CG2 ILE A 27 -16.795 -0.463 -1.038 1.00 0.00 C ATOM 470 CD1 ILE A 27 -16.342 -3.161 -2.163 1.00 0.00 C ATOM 0 H ILE A 27 -18.775 -1.439 -4.359 1.00 0.00 H new ATOM 0 HA ILE A 27 -19.276 -0.165 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 27 -16.560 -0.657 -3.174 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -18.366 -2.598 -1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -18.059 -2.659 -3.377 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -15.887 -1.022 -0.811 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -16.574 0.604 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -17.552 -0.680 -0.285 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -16.566 -4.228 -2.165 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -15.616 -2.941 -2.946 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -15.928 -2.879 -1.195 1.00 0.00 H new ATOM 482 N SER A 28 -17.882 1.716 -4.187 1.00 0.00 N ATOM 483 CA SER A 28 -17.516 3.123 -4.497 1.00 0.00 C ATOM 484 C SER A 28 -18.779 3.981 -4.528 1.00 0.00 C ATOM 485 O SER A 28 -18.745 5.161 -4.246 1.00 0.00 O ATOM 486 CB SER A 28 -16.812 3.180 -5.853 1.00 0.00 C ATOM 487 OG SER A 28 -15.562 2.513 -5.759 1.00 0.00 O ATOM 0 H SER A 28 -17.836 1.071 -4.976 1.00 0.00 H new ATOM 0 HA SER A 28 -16.843 3.505 -3.729 1.00 0.00 H new ATOM 0 HB2 SER A 28 -17.431 2.711 -6.618 1.00 0.00 H new ATOM 0 HB3 SER A 28 -16.663 4.217 -6.155 1.00 0.00 H new ATOM 0 HG SER A 28 -15.696 1.549 -5.875 1.00 0.00 H new ATOM 493 N GLN A 29 -19.901 3.399 -4.857 1.00 0.00 N ATOM 494 CA GLN A 29 -21.160 4.200 -4.888 1.00 0.00 C ATOM 495 C GLN A 29 -21.462 4.679 -3.468 1.00 0.00 C ATOM 496 O GLN A 29 -21.940 5.777 -3.261 1.00 0.00 O ATOM 497 CB GLN A 29 -22.320 3.340 -5.423 1.00 0.00 C ATOM 498 CG GLN A 29 -22.245 3.247 -6.961 1.00 0.00 C ATOM 499 CD GLN A 29 -22.871 4.494 -7.596 1.00 0.00 C ATOM 500 OE1 GLN A 29 -22.171 5.397 -8.009 1.00 0.00 O ATOM 501 NE2 GLN A 29 -24.170 4.580 -7.690 1.00 0.00 N ATOM 0 H GLN A 29 -20.001 2.414 -5.103 1.00 0.00 H new ATOM 0 HA GLN A 29 -21.042 5.058 -5.549 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -22.274 2.342 -4.988 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -23.274 3.775 -5.123 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -21.206 3.151 -7.277 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -22.766 2.354 -7.305 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -24.758 3.822 -7.343 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -24.597 5.405 -8.110 1.00 0.00 H new ATOM 510 N LEU A 30 -21.163 3.874 -2.487 1.00 0.00 N ATOM 511 CA LEU A 30 -21.410 4.303 -1.084 1.00 0.00 C ATOM 512 C LEU A 30 -20.458 5.459 -0.774 1.00 0.00 C ATOM 513 O LEU A 30 -20.835 6.448 -0.178 1.00 0.00 O ATOM 514 CB LEU A 30 -21.143 3.132 -0.127 1.00 0.00 C ATOM 515 CG LEU A 30 -21.731 1.841 -0.705 1.00 0.00 C ATOM 516 CD1 LEU A 30 -21.550 0.708 0.308 1.00 0.00 C ATOM 517 CD2 LEU A 30 -23.224 2.034 -0.999 1.00 0.00 C ATOM 0 H LEU A 30 -20.761 2.943 -2.596 1.00 0.00 H new ATOM 0 HA LEU A 30 -22.445 4.620 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -20.070 3.016 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -21.586 3.339 0.847 1.00 0.00 H new ATOM 0 HG LEU A 30 -21.215 1.591 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -21.967 -0.213 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -20.488 0.567 0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -22.066 0.962 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -23.636 1.112 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -23.747 2.286 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -23.351 2.841 -1.720 1.00 0.00 H new ATOM 529 N MET A 31 -19.222 5.330 -1.196 1.00 0.00 N ATOM 530 CA MET A 31 -18.200 6.403 -0.965 1.00 0.00 C ATOM 531 C MET A 31 -17.726 6.937 -2.320 1.00 0.00 C ATOM 532 O MET A 31 -16.572 6.811 -2.678 1.00 0.00 O ATOM 533 CB MET A 31 -17.007 5.810 -0.210 1.00 0.00 C ATOM 534 CG MET A 31 -17.504 5.084 1.042 1.00 0.00 C ATOM 535 SD MET A 31 -16.093 4.382 1.932 1.00 0.00 S ATOM 536 CE MET A 31 -17.041 3.401 3.121 1.00 0.00 C ATOM 0 H MET A 31 -18.872 4.514 -1.699 1.00 0.00 H new ATOM 0 HA MET A 31 -18.637 7.212 -0.380 1.00 0.00 H new ATOM 0 HB2 MET A 31 -16.464 5.118 -0.853 1.00 0.00 H new ATOM 0 HB3 MET A 31 -16.310 6.600 0.068 1.00 0.00 H new ATOM 0 HG2 MET A 31 -18.046 5.777 1.686 1.00 0.00 H new ATOM 0 HG3 MET A 31 -18.202 4.294 0.764 1.00 0.00 H new ATOM 0 HE1 MET A 31 -16.356 2.872 3.784 1.00 0.00 H new ATOM 0 HE2 MET A 31 -17.680 4.060 3.709 1.00 0.00 H new ATOM 0 HE3 MET A 31 -17.659 2.679 2.587 1.00 0.00 H new ATOM 546 N ILE A 32 -18.610 7.532 -3.077 1.00 0.00 N ATOM 547 CA ILE A 32 -18.220 8.073 -4.414 1.00 0.00 C ATOM 548 C ILE A 32 -16.961 8.931 -4.280 1.00 0.00 C ATOM 549 O ILE A 32 -16.300 9.238 -5.252 1.00 0.00 O ATOM 550 CB ILE A 32 -19.362 8.931 -4.965 1.00 0.00 C ATOM 551 CG1 ILE A 32 -19.797 9.938 -3.897 1.00 0.00 C ATOM 552 CG2 ILE A 32 -20.546 8.036 -5.336 1.00 0.00 C ATOM 553 CD1 ILE A 32 -20.891 10.843 -4.463 1.00 0.00 C ATOM 0 H ILE A 32 -19.589 7.667 -2.826 1.00 0.00 H new ATOM 0 HA ILE A 32 -18.019 7.244 -5.093 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.022 9.463 -5.854 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -20.165 9.413 -3.016 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -18.944 10.537 -3.578 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -21.357 8.650 -5.728 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.235 7.318 -6.095 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -20.890 7.502 -4.450 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -21.200 11.560 -3.702 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -20.507 11.379 -5.331 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -21.747 10.237 -4.760 1.00 0.00 H new ATOM 565 N THR A 33 -16.623 9.323 -3.083 1.00 0.00 N ATOM 566 CA THR A 33 -15.408 10.161 -2.893 1.00 0.00 C ATOM 567 C THR A 33 -14.162 9.342 -3.240 1.00 0.00 C ATOM 568 O THR A 33 -13.085 9.882 -3.400 1.00 0.00 O ATOM 569 CB THR A 33 -15.328 10.619 -1.435 1.00 0.00 C ATOM 570 OG1 THR A 33 -15.421 9.488 -0.580 1.00 0.00 O ATOM 571 CG2 THR A 33 -16.479 11.582 -1.137 1.00 0.00 C ATOM 0 H THR A 33 -17.135 9.099 -2.230 1.00 0.00 H new ATOM 0 HA THR A 33 -15.462 11.032 -3.546 1.00 0.00 H new ATOM 0 HB THR A 33 -14.379 11.127 -1.265 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.976 9.710 0.197 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.421 11.908 -0.098 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.407 12.449 -1.794 1.00 0.00 H new ATOM 0 HG23 THR A 33 -17.430 11.076 -1.306 1.00 0.00 H new ATOM 579 N ARG A 34 -14.303 8.039 -3.355 1.00 0.00 N ATOM 580 CA ARG A 34 -13.136 7.154 -3.690 1.00 0.00 C ATOM 581 C ARG A 34 -13.431 6.439 -5.013 1.00 0.00 C ATOM 582 O ARG A 34 -14.565 6.130 -5.323 1.00 0.00 O ATOM 583 CB ARG A 34 -12.950 6.111 -2.553 1.00 0.00 C ATOM 584 CG ARG A 34 -11.762 6.480 -1.652 1.00 0.00 C ATOM 585 CD ARG A 34 -12.079 7.768 -0.884 1.00 0.00 C ATOM 586 NE ARG A 34 -13.275 7.550 -0.021 1.00 0.00 N ATOM 587 CZ ARG A 34 -13.546 8.385 0.946 1.00 0.00 C ATOM 588 NH1 ARG A 34 -12.769 9.412 1.159 1.00 0.00 N ATOM 589 NH2 ARG A 34 -14.594 8.192 1.699 1.00 0.00 N ATOM 0 H ARG A 34 -15.187 7.546 -3.230 1.00 0.00 H new ATOM 0 HA ARG A 34 -12.224 7.743 -3.788 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -13.860 6.054 -1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -12.790 5.123 -2.984 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.557 5.669 -0.953 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.864 6.616 -2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -11.225 8.060 -0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -12.265 8.584 -1.582 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.883 6.747 -0.186 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.950 9.563 0.570 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.981 10.064 1.914 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.201 7.389 1.532 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.806 8.844 2.454 1.00 0.00 H new ATOM 603 N ASN A 35 -12.415 6.168 -5.793 1.00 0.00 N ATOM 604 CA ASN A 35 -12.626 5.464 -7.094 1.00 0.00 C ATOM 605 C ASN A 35 -12.462 3.953 -6.877 1.00 0.00 C ATOM 606 O ASN A 35 -11.728 3.539 -6.003 1.00 0.00 O ATOM 607 CB ASN A 35 -11.590 5.958 -8.110 1.00 0.00 C ATOM 608 CG ASN A 35 -11.510 7.485 -8.054 1.00 0.00 C ATOM 609 OD1 ASN A 35 -11.216 8.052 -7.020 1.00 0.00 O ATOM 610 ND2 ASN A 35 -11.761 8.179 -9.130 1.00 0.00 N ATOM 0 H ASN A 35 -11.445 6.405 -5.584 1.00 0.00 H new ATOM 0 HA ASN A 35 -13.627 5.671 -7.472 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.614 5.524 -7.891 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.866 5.634 -9.114 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -11.710 9.197 -9.103 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.008 7.703 -9.998 1.00 0.00 H new ATOM 617 N PRO A 36 -13.121 3.121 -7.656 1.00 0.00 N ATOM 618 CA PRO A 36 -12.996 1.646 -7.502 1.00 0.00 C ATOM 619 C PRO A 36 -11.536 1.224 -7.275 1.00 0.00 C ATOM 620 O PRO A 36 -11.246 0.314 -6.523 1.00 0.00 O ATOM 621 CB PRO A 36 -13.519 1.106 -8.841 1.00 0.00 C ATOM 622 CG PRO A 36 -14.538 2.111 -9.281 1.00 0.00 C ATOM 623 CD PRO A 36 -14.050 3.473 -8.755 1.00 0.00 C ATOM 0 HA PRO A 36 -13.544 1.266 -6.640 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.715 1.011 -9.571 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -13.962 0.117 -8.724 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.630 2.123 -10.367 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -15.522 1.869 -8.881 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.547 4.045 -9.535 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.879 4.083 -8.397 1.00 0.00 H new ATOM 631 N ARG A 37 -10.625 1.884 -7.936 1.00 0.00 N ATOM 632 CA ARG A 37 -9.181 1.544 -7.789 1.00 0.00 C ATOM 633 C ARG A 37 -8.643 2.031 -6.437 1.00 0.00 C ATOM 634 O ARG A 37 -7.692 1.489 -5.911 1.00 0.00 O ATOM 635 CB ARG A 37 -8.390 2.213 -8.915 1.00 0.00 C ATOM 636 CG ARG A 37 -8.842 1.647 -10.262 1.00 0.00 C ATOM 637 CD ARG A 37 -8.105 2.368 -11.393 1.00 0.00 C ATOM 638 NE ARG A 37 -8.363 1.664 -12.681 1.00 0.00 N ATOM 639 CZ ARG A 37 -8.046 2.233 -13.812 1.00 0.00 C ATOM 640 NH1 ARG A 37 -7.501 3.420 -13.816 1.00 0.00 N ATOM 641 NH2 ARG A 37 -8.271 1.616 -14.939 1.00 0.00 N ATOM 0 H ARG A 37 -10.821 2.652 -8.578 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.070 0.461 -7.840 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.545 3.292 -8.891 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.323 2.041 -8.776 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.639 0.577 -10.305 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.919 1.772 -10.378 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -8.440 3.403 -11.458 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.035 2.392 -11.187 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.788 0.737 -12.679 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.323 3.902 -12.935 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.253 3.864 -14.700 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.695 0.688 -14.937 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -8.023 2.061 -15.823 1.00 0.00 H new ATOM 655 N GLN A 38 -9.220 3.064 -5.881 1.00 0.00 N ATOM 656 CA GLN A 38 -8.712 3.594 -4.581 1.00 0.00 C ATOM 657 C GLN A 38 -8.937 2.586 -3.456 1.00 0.00 C ATOM 658 O GLN A 38 -8.085 2.399 -2.612 1.00 0.00 O ATOM 659 CB GLN A 38 -9.442 4.897 -4.246 1.00 0.00 C ATOM 660 CG GLN A 38 -8.956 6.017 -5.174 1.00 0.00 C ATOM 661 CD GLN A 38 -7.534 6.428 -4.783 1.00 0.00 C ATOM 662 OE1 GLN A 38 -6.572 5.919 -5.323 1.00 0.00 O ATOM 663 NE2 GLN A 38 -7.359 7.334 -3.860 1.00 0.00 N ATOM 0 H GLN A 38 -10.020 3.563 -6.270 1.00 0.00 H new ATOM 0 HA GLN A 38 -7.641 3.776 -4.675 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.518 4.761 -4.357 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.261 5.169 -3.206 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.976 5.679 -6.210 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.625 6.875 -5.106 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -8.166 7.762 -3.406 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -6.415 7.614 -3.593 1.00 0.00 H new ATOM 672 N CYS A 39 -10.075 1.946 -3.411 1.00 0.00 N ATOM 673 CA CYS A 39 -10.328 0.967 -2.316 1.00 0.00 C ATOM 674 C CYS A 39 -9.897 -0.427 -2.765 1.00 0.00 C ATOM 675 O CYS A 39 -9.451 -1.233 -1.974 1.00 0.00 O ATOM 676 CB CYS A 39 -11.812 0.951 -1.997 1.00 0.00 C ATOM 677 SG CYS A 39 -12.381 2.637 -1.667 1.00 0.00 S ATOM 0 H CYS A 39 -10.836 2.058 -4.081 1.00 0.00 H new ATOM 0 HA CYS A 39 -9.760 1.255 -1.431 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -12.369 0.525 -2.832 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -12.001 0.317 -1.131 1.00 0.00 H new ATOM 0 HG CYS A 39 -13.652 2.621 -1.396 1.00 0.00 H new ATOM 683 N ARG A 40 -10.024 -0.723 -4.030 1.00 0.00 N ATOM 684 CA ARG A 40 -9.614 -2.073 -4.508 1.00 0.00 C ATOM 685 C ARG A 40 -8.109 -2.223 -4.324 1.00 0.00 C ATOM 686 O ARG A 40 -7.637 -3.182 -3.748 1.00 0.00 O ATOM 687 CB ARG A 40 -9.966 -2.245 -5.990 1.00 0.00 C ATOM 688 CG ARG A 40 -9.330 -3.541 -6.533 1.00 0.00 C ATOM 689 CD ARG A 40 -9.978 -3.934 -7.862 1.00 0.00 C ATOM 690 NE ARG A 40 -9.072 -4.857 -8.602 1.00 0.00 N ATOM 691 CZ ARG A 40 -9.424 -5.324 -9.769 1.00 0.00 C ATOM 692 NH1 ARG A 40 -10.571 -4.982 -10.290 1.00 0.00 N ATOM 693 NH2 ARG A 40 -8.629 -6.131 -10.416 1.00 0.00 N ATOM 0 H ARG A 40 -10.390 -0.096 -4.746 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.142 -2.834 -3.934 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -11.048 -2.281 -6.114 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -9.608 -1.387 -6.560 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.258 -3.398 -6.671 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.453 -4.346 -5.808 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.939 -4.417 -7.682 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.176 -3.044 -8.460 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.175 -5.124 -8.196 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.192 -4.350 -9.785 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.846 -5.347 -11.202 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.732 -6.397 -10.010 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.904 -6.496 -11.328 1.00 0.00 H new ATOM 707 N GLU A 41 -7.353 -1.279 -4.814 1.00 0.00 N ATOM 708 CA GLU A 41 -5.867 -1.360 -4.673 1.00 0.00 C ATOM 709 C GLU A 41 -5.524 -1.707 -3.224 1.00 0.00 C ATOM 710 O GLU A 41 -4.515 -2.325 -2.945 1.00 0.00 O ATOM 711 CB GLU A 41 -5.233 -0.016 -5.060 1.00 0.00 C ATOM 712 CG GLU A 41 -5.611 1.057 -4.032 1.00 0.00 C ATOM 713 CD GLU A 41 -5.279 2.447 -4.582 1.00 0.00 C ATOM 714 OE1 GLU A 41 -4.892 2.531 -5.736 1.00 0.00 O ATOM 715 OE2 GLU A 41 -5.419 3.405 -3.839 1.00 0.00 O ATOM 0 H GLU A 41 -7.698 -0.455 -5.306 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.475 -2.132 -5.334 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.149 -0.117 -5.111 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.572 0.283 -6.052 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.674 0.993 -3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.071 0.887 -3.101 1.00 0.00 H new ATOM 722 N ARG A 42 -6.369 -1.331 -2.299 1.00 0.00 N ATOM 723 CA ARG A 42 -6.092 -1.665 -0.874 1.00 0.00 C ATOM 724 C ARG A 42 -6.188 -3.193 -0.705 1.00 0.00 C ATOM 725 O ARG A 42 -5.332 -3.821 -0.117 1.00 0.00 O ATOM 726 CB ARG A 42 -7.127 -0.936 0.023 1.00 0.00 C ATOM 727 CG ARG A 42 -6.439 -0.269 1.232 1.00 0.00 C ATOM 728 CD ARG A 42 -5.535 0.908 0.785 1.00 0.00 C ATOM 729 NE ARG A 42 -4.128 0.435 0.651 1.00 0.00 N ATOM 730 CZ ARG A 42 -3.180 1.280 0.347 1.00 0.00 C ATOM 731 NH1 ARG A 42 -3.463 2.540 0.162 1.00 0.00 N ATOM 732 NH2 ARG A 42 -1.948 0.864 0.231 1.00 0.00 N ATOM 0 H ARG A 42 -7.231 -0.812 -2.468 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.094 -1.340 -0.581 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.653 -0.182 -0.562 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.875 -1.647 0.373 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.195 0.094 1.929 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.841 -1.007 1.766 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.887 1.309 -0.166 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.589 1.718 1.512 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.905 -0.550 0.797 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -4.425 2.866 0.255 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -2.722 3.200 -0.075 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.726 -0.121 0.378 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.207 1.524 -0.006 1.00 0.00 H new ATOM 746 N TRP A 43 -7.227 -3.786 -1.228 1.00 0.00 N ATOM 747 CA TRP A 43 -7.404 -5.267 -1.120 1.00 0.00 C ATOM 748 C TRP A 43 -6.097 -5.985 -1.449 1.00 0.00 C ATOM 749 O TRP A 43 -5.583 -6.727 -0.645 1.00 0.00 O ATOM 750 CB TRP A 43 -8.478 -5.681 -2.137 1.00 0.00 C ATOM 751 CG TRP A 43 -8.816 -7.133 -2.009 1.00 0.00 C ATOM 752 CD1 TRP A 43 -8.371 -8.105 -2.838 1.00 0.00 C ATOM 753 CD2 TRP A 43 -9.676 -7.793 -1.034 1.00 0.00 C ATOM 754 NE1 TRP A 43 -8.899 -9.317 -2.432 1.00 0.00 N ATOM 755 CE2 TRP A 43 -9.704 -9.178 -1.321 1.00 0.00 C ATOM 756 CE3 TRP A 43 -10.423 -7.331 0.064 1.00 0.00 C ATOM 757 CZ2 TRP A 43 -10.444 -10.072 -0.547 1.00 0.00 C ATOM 758 CZ3 TRP A 43 -11.169 -8.229 0.845 1.00 0.00 C ATOM 759 CH2 TRP A 43 -11.178 -9.597 0.540 1.00 0.00 C ATOM 0 H TRP A 43 -7.971 -3.303 -1.732 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.698 -5.535 -0.105 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -9.376 -5.082 -1.986 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -8.124 -5.475 -3.147 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.711 -7.958 -3.680 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -8.715 -10.206 -2.898 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.423 -6.279 0.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -10.449 -11.125 -0.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -11.739 -7.863 1.686 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.752 -10.282 1.146 1.00 0.00 H new ATOM 770 N ASN A 44 -5.558 -5.769 -2.614 1.00 0.00 N ATOM 771 CA ASN A 44 -4.290 -6.461 -2.995 1.00 0.00 C ATOM 772 C ASN A 44 -3.080 -5.835 -2.284 1.00 0.00 C ATOM 773 O ASN A 44 -2.154 -6.528 -1.910 1.00 0.00 O ATOM 774 CB ASN A 44 -4.114 -6.364 -4.520 1.00 0.00 C ATOM 775 CG ASN A 44 -4.539 -4.972 -4.996 1.00 0.00 C ATOM 776 OD1 ASN A 44 -3.807 -4.015 -4.841 1.00 0.00 O ATOM 777 ND2 ASN A 44 -5.702 -4.819 -5.575 1.00 0.00 N ATOM 0 H ASN A 44 -5.939 -5.142 -3.323 1.00 0.00 H new ATOM 0 HA ASN A 44 -4.349 -7.505 -2.689 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.074 -6.550 -4.789 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.713 -7.128 -5.015 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.994 -3.896 -5.896 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.317 -5.623 -5.705 1.00 0.00 H new ATOM 784 N ASN A 45 -3.058 -4.541 -2.115 1.00 0.00 N ATOM 785 CA ASN A 45 -1.880 -3.891 -1.454 1.00 0.00 C ATOM 786 C ASN A 45 -2.085 -3.797 0.060 1.00 0.00 C ATOM 787 O ASN A 45 -1.409 -3.039 0.727 1.00 0.00 O ATOM 788 CB ASN A 45 -1.700 -2.481 -2.020 1.00 0.00 C ATOM 789 CG ASN A 45 -1.651 -2.547 -3.548 1.00 0.00 C ATOM 790 OD1 ASN A 45 -1.152 -3.501 -4.111 1.00 0.00 O ATOM 791 ND2 ASN A 45 -2.152 -1.566 -4.247 1.00 0.00 N ATOM 0 H ASN A 45 -3.800 -3.904 -2.404 1.00 0.00 H new ATOM 0 HA ASN A 45 -0.995 -4.497 -1.651 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.522 -1.841 -1.699 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.782 -2.037 -1.635 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.125 -1.600 -5.266 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.571 -0.765 -3.774 1.00 0.00 H new ATOM 798 N TYR A 46 -2.998 -4.550 0.624 1.00 0.00 N ATOM 799 CA TYR A 46 -3.202 -4.473 2.108 1.00 0.00 C ATOM 800 C TYR A 46 -3.687 -5.827 2.649 1.00 0.00 C ATOM 801 O TYR A 46 -3.081 -6.381 3.545 1.00 0.00 O ATOM 802 CB TYR A 46 -4.205 -3.342 2.420 1.00 0.00 C ATOM 803 CG TYR A 46 -3.802 -2.615 3.697 1.00 0.00 C ATOM 804 CD1 TYR A 46 -3.625 -3.339 4.880 1.00 0.00 C ATOM 805 CD2 TYR A 46 -3.602 -1.224 3.693 1.00 0.00 C ATOM 806 CE1 TYR A 46 -3.253 -2.681 6.058 1.00 0.00 C ATOM 807 CE2 TYR A 46 -3.230 -0.567 4.871 1.00 0.00 C ATOM 808 CZ TYR A 46 -3.056 -1.295 6.054 1.00 0.00 C ATOM 809 OH TYR A 46 -2.688 -0.647 7.216 1.00 0.00 O ATOM 0 H TYR A 46 -3.604 -5.206 0.131 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.258 -4.246 2.603 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.240 -2.638 1.588 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -5.207 -3.756 2.530 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -3.776 -4.408 4.885 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -3.735 -0.662 2.780 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.118 -3.243 6.970 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.077 0.502 4.868 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.592 0.312 7.039 1.00 0.00 H new ATOM 819 N ILE A 47 -4.754 -6.380 2.116 1.00 0.00 N ATOM 820 CA ILE A 47 -5.235 -7.713 2.619 1.00 0.00 C ATOM 821 C ILE A 47 -5.846 -8.537 1.467 1.00 0.00 C ATOM 822 O ILE A 47 -6.813 -8.158 0.837 1.00 0.00 O ATOM 823 CB ILE A 47 -6.237 -7.552 3.816 1.00 0.00 C ATOM 824 CG1 ILE A 47 -7.712 -7.400 3.375 1.00 0.00 C ATOM 825 CG2 ILE A 47 -5.870 -6.328 4.662 1.00 0.00 C ATOM 826 CD1 ILE A 47 -7.926 -6.102 2.585 1.00 0.00 C ATOM 0 H ILE A 47 -5.308 -5.973 1.363 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.374 -8.261 3.003 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.149 -8.474 4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -8.000 -8.254 2.761 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -8.359 -7.405 4.252 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.575 -6.232 5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -4.862 -6.449 5.058 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -5.912 -5.432 4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.972 -6.024 2.289 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -7.661 -5.248 3.209 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.297 -6.110 1.695 1.00 0.00 H new ATOM 838 N ASN A 48 -5.261 -9.679 1.211 1.00 0.00 N ATOM 839 CA ASN A 48 -5.751 -10.603 0.142 1.00 0.00 C ATOM 840 C ASN A 48 -4.883 -11.879 0.150 1.00 0.00 C ATOM 841 O ASN A 48 -5.402 -12.977 0.122 1.00 0.00 O ATOM 842 CB ASN A 48 -5.720 -9.895 -1.248 1.00 0.00 C ATOM 843 CG ASN A 48 -4.806 -10.612 -2.259 1.00 0.00 C ATOM 844 OD1 ASN A 48 -5.112 -11.699 -2.709 1.00 0.00 O ATOM 845 ND2 ASN A 48 -3.694 -10.039 -2.632 1.00 0.00 N ATOM 0 H ASN A 48 -4.441 -10.019 1.713 1.00 0.00 H new ATOM 0 HA ASN A 48 -6.787 -10.882 0.337 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -6.732 -9.847 -1.650 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -5.379 -8.868 -1.121 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.081 -10.503 -3.302 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.438 -9.127 -2.254 1.00 0.00 H new ATOM 852 N PRO A 49 -3.571 -11.743 0.165 1.00 0.00 N ATOM 853 CA PRO A 49 -2.636 -12.892 0.150 1.00 0.00 C ATOM 854 C PRO A 49 -2.042 -13.190 1.537 1.00 0.00 C ATOM 855 O PRO A 49 -1.317 -14.147 1.708 1.00 0.00 O ATOM 856 CB PRO A 49 -1.552 -12.381 -0.812 1.00 0.00 C ATOM 857 CG PRO A 49 -1.521 -10.872 -0.610 1.00 0.00 C ATOM 858 CD PRO A 49 -2.793 -10.498 0.195 1.00 0.00 C ATOM 0 HA PRO A 49 -3.108 -13.830 -0.143 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.584 -12.829 -0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.790 -12.636 -1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.622 -10.573 -0.072 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.505 -10.354 -1.569 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.553 -10.195 1.214 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.334 -9.671 -0.264 1.00 0.00 H new ATOM 866 N ALA A 50 -2.322 -12.366 2.515 1.00 0.00 N ATOM 867 CA ALA A 50 -1.753 -12.592 3.877 1.00 0.00 C ATOM 868 C ALA A 50 -0.257 -12.270 3.825 1.00 0.00 C ATOM 869 O ALA A 50 0.588 -13.097 4.107 1.00 0.00 O ATOM 870 CB ALA A 50 -1.987 -14.053 4.317 1.00 0.00 C ATOM 0 H ALA A 50 -2.921 -11.545 2.428 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.243 -11.947 4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.568 -14.205 5.312 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.057 -14.259 4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.502 -14.728 3.612 1.00 0.00 H new ATOM 876 N LEU A 51 0.064 -11.063 3.446 1.00 0.00 N ATOM 877 CA LEU A 51 1.494 -10.640 3.339 1.00 0.00 C ATOM 878 C LEU A 51 1.963 -10.072 4.685 1.00 0.00 C ATOM 879 O LEU A 51 2.826 -9.219 4.744 1.00 0.00 O ATOM 880 CB LEU A 51 1.637 -9.579 2.219 1.00 0.00 C ATOM 881 CG LEU A 51 0.371 -8.709 2.124 1.00 0.00 C ATOM 882 CD1 LEU A 51 0.111 -8.010 3.463 1.00 0.00 C ATOM 883 CD2 LEU A 51 0.561 -7.658 1.024 1.00 0.00 C ATOM 0 H LEU A 51 -0.613 -10.340 3.202 1.00 0.00 H new ATOM 0 HA LEU A 51 2.116 -11.499 3.088 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.503 -8.948 2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.816 -10.074 1.264 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.483 -9.343 1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.787 -7.397 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.027 -8.758 4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.962 -7.377 3.714 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.334 -7.039 0.953 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.418 -7.030 1.265 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.734 -8.157 0.070 1.00 0.00 H new ATOM 895 N ARG A 52 1.409 -10.548 5.765 1.00 0.00 N ATOM 896 CA ARG A 52 1.834 -10.042 7.099 1.00 0.00 C ATOM 897 C ARG A 52 3.347 -10.228 7.250 1.00 0.00 C ATOM 898 O ARG A 52 3.945 -9.775 8.206 1.00 0.00 O ATOM 899 CB ARG A 52 1.111 -10.826 8.198 1.00 0.00 C ATOM 900 CG ARG A 52 -0.378 -10.473 8.181 1.00 0.00 C ATOM 901 CD ARG A 52 -1.112 -11.311 9.229 1.00 0.00 C ATOM 902 NE ARG A 52 -0.452 -11.140 10.555 1.00 0.00 N ATOM 903 CZ ARG A 52 -0.993 -11.655 11.625 1.00 0.00 C ATOM 904 NH1 ARG A 52 -2.113 -12.319 11.537 1.00 0.00 N ATOM 905 NH2 ARG A 52 -0.413 -11.505 12.785 1.00 0.00 N ATOM 0 H ARG A 52 0.682 -11.264 5.782 1.00 0.00 H new ATOM 0 HA ARG A 52 1.584 -8.985 7.186 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.244 -11.897 8.043 1.00 0.00 H new ATOM 0 HB3 ARG A 52 1.541 -10.589 9.171 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.514 -9.412 8.388 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.796 -10.660 7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.156 -11.004 9.289 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.104 -12.362 8.940 1.00 0.00 H new ATOM 0 HE ARG A 52 0.423 -10.620 10.626 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.567 -12.436 10.631 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.535 -12.721 12.374 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.462 -10.986 12.854 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.835 -11.907 13.622 1.00 0.00 H new ATOM 919 N THR A 53 3.969 -10.893 6.311 1.00 0.00 N ATOM 920 CA THR A 53 5.445 -11.112 6.393 1.00 0.00 C ATOM 921 C THR A 53 6.000 -11.393 4.992 1.00 0.00 C ATOM 922 O THR A 53 6.430 -12.490 4.695 1.00 0.00 O ATOM 923 CB THR A 53 5.732 -12.310 7.304 1.00 0.00 C ATOM 924 OG1 THR A 53 5.020 -12.154 8.523 1.00 0.00 O ATOM 925 CG2 THR A 53 7.232 -12.388 7.591 1.00 0.00 C ATOM 0 H THR A 53 3.518 -11.295 5.489 1.00 0.00 H new ATOM 0 HA THR A 53 5.922 -10.221 6.800 1.00 0.00 H new ATOM 0 HB THR A 53 5.413 -13.228 6.811 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.881 -11.200 8.701 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.435 -13.241 8.239 1.00 0.00 H new ATOM 0 HG22 THR A 53 7.776 -12.507 6.654 1.00 0.00 H new ATOM 0 HG23 THR A 53 7.556 -11.472 8.085 1.00 0.00 H new ATOM 933 N ASP A 54 5.991 -10.401 4.132 1.00 0.00 N ATOM 934 CA ASP A 54 6.515 -10.574 2.735 1.00 0.00 C ATOM 935 C ASP A 54 7.539 -9.478 2.445 1.00 0.00 C ATOM 936 O ASP A 54 7.384 -8.712 1.516 1.00 0.00 O ATOM 937 CB ASP A 54 5.354 -10.451 1.745 1.00 0.00 C ATOM 938 CG ASP A 54 5.854 -10.748 0.332 1.00 0.00 C ATOM 939 OD1 ASP A 54 7.055 -10.692 0.125 1.00 0.00 O ATOM 940 OD2 ASP A 54 5.028 -11.026 -0.522 1.00 0.00 O ATOM 0 H ASP A 54 5.639 -9.467 4.340 1.00 0.00 H new ATOM 0 HA ASP A 54 6.984 -11.553 2.635 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.558 -11.145 2.014 1.00 0.00 H new ATOM 0 HB3 ASP A 54 4.930 -9.448 1.789 1.00 0.00 H new ATOM 945 N PRO A 55 8.580 -9.392 3.237 1.00 0.00 N ATOM 946 CA PRO A 55 9.639 -8.353 3.058 1.00 0.00 C ATOM 947 C PRO A 55 10.400 -8.527 1.739 1.00 0.00 C ATOM 948 O PRO A 55 10.774 -9.618 1.358 1.00 0.00 O ATOM 949 CB PRO A 55 10.566 -8.564 4.271 1.00 0.00 C ATOM 950 CG PRO A 55 10.358 -9.991 4.645 1.00 0.00 C ATOM 951 CD PRO A 55 8.878 -10.269 4.383 1.00 0.00 C ATOM 0 HA PRO A 55 9.224 -7.346 3.009 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.607 -8.367 4.016 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.307 -7.895 5.092 1.00 0.00 H new ATOM 0 HG2 PRO A 55 10.992 -10.649 4.051 1.00 0.00 H new ATOM 0 HG3 PRO A 55 10.611 -10.164 5.691 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.699 -11.318 4.147 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.261 -10.027 5.249 1.00 0.00 H new ATOM 959 N TRP A 56 10.626 -7.448 1.049 1.00 0.00 N ATOM 960 CA TRP A 56 11.363 -7.514 -0.250 1.00 0.00 C ATOM 961 C TRP A 56 12.873 -7.619 0.025 1.00 0.00 C ATOM 962 O TRP A 56 13.286 -7.963 1.114 1.00 0.00 O ATOM 963 CB TRP A 56 11.027 -6.275 -1.118 1.00 0.00 C ATOM 964 CG TRP A 56 10.621 -5.102 -0.273 1.00 0.00 C ATOM 965 CD1 TRP A 56 9.392 -4.919 0.258 1.00 0.00 C ATOM 966 CD2 TRP A 56 11.407 -3.939 0.110 1.00 0.00 C ATOM 967 NE1 TRP A 56 9.367 -3.718 0.945 1.00 0.00 N ATOM 968 CE2 TRP A 56 10.590 -3.074 0.883 1.00 0.00 C ATOM 969 CE3 TRP A 56 12.735 -3.556 -0.131 1.00 0.00 C ATOM 970 CZ2 TRP A 56 11.079 -1.869 1.390 1.00 0.00 C ATOM 971 CZ3 TRP A 56 13.228 -2.348 0.377 1.00 0.00 C ATOM 972 CH2 TRP A 56 12.403 -1.504 1.133 1.00 0.00 C ATOM 0 H TRP A 56 10.331 -6.512 1.328 1.00 0.00 H new ATOM 0 HA TRP A 56 11.053 -8.399 -0.806 1.00 0.00 H new ATOM 0 HB2 TRP A 56 11.894 -6.007 -1.721 1.00 0.00 H new ATOM 0 HB3 TRP A 56 10.222 -6.522 -1.810 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.561 -5.602 0.162 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.550 -3.354 1.435 1.00 0.00 H new ATOM 0 HE3 TRP A 56 13.381 -4.197 -0.712 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 10.440 -1.225 1.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 14.252 -2.064 0.185 1.00 0.00 H new ATOM 0 HH2 TRP A 56 12.791 -0.572 1.517 1.00 0.00 H new ATOM 983 N SER A 57 13.698 -7.360 -0.967 1.00 0.00 N ATOM 984 CA SER A 57 15.186 -7.481 -0.784 1.00 0.00 C ATOM 985 C SER A 57 15.894 -6.309 -1.493 1.00 0.00 C ATOM 986 O SER A 57 15.256 -5.486 -2.119 1.00 0.00 O ATOM 987 CB SER A 57 15.627 -8.829 -1.399 1.00 0.00 C ATOM 988 OG SER A 57 16.345 -8.604 -2.609 1.00 0.00 O ATOM 0 H SER A 57 13.404 -7.069 -1.899 1.00 0.00 H new ATOM 0 HA SER A 57 15.450 -7.447 0.273 1.00 0.00 H new ATOM 0 HB2 SER A 57 16.253 -9.373 -0.691 1.00 0.00 H new ATOM 0 HB3 SER A 57 14.754 -9.451 -1.596 1.00 0.00 H new ATOM 0 HG SER A 57 16.621 -9.464 -2.990 1.00 0.00 H new ATOM 994 N PRO A 58 17.208 -6.235 -1.400 1.00 0.00 N ATOM 995 CA PRO A 58 18.006 -5.146 -2.049 1.00 0.00 C ATOM 996 C PRO A 58 17.595 -4.904 -3.508 1.00 0.00 C ATOM 997 O PRO A 58 17.941 -3.904 -4.105 1.00 0.00 O ATOM 998 CB PRO A 58 19.448 -5.658 -1.955 1.00 0.00 C ATOM 999 CG PRO A 58 19.457 -6.471 -0.703 1.00 0.00 C ATOM 1000 CD PRO A 58 18.094 -7.171 -0.668 1.00 0.00 C ATOM 0 HA PRO A 58 17.856 -4.182 -1.562 1.00 0.00 H new ATOM 0 HB2 PRO A 58 19.716 -6.259 -2.824 1.00 0.00 H new ATOM 0 HB3 PRO A 58 20.162 -4.836 -1.903 1.00 0.00 H new ATOM 0 HG2 PRO A 58 20.271 -7.195 -0.710 1.00 0.00 H new ATOM 0 HG3 PRO A 58 19.598 -5.841 0.175 1.00 0.00 H new ATOM 0 HD2 PRO A 58 18.132 -8.148 -1.150 1.00 0.00 H new ATOM 0 HD3 PRO A 58 17.751 -7.332 0.354 1.00 0.00 H new ATOM 1008 N GLU A 59 16.860 -5.815 -4.078 1.00 0.00 N ATOM 1009 CA GLU A 59 16.419 -5.658 -5.482 1.00 0.00 C ATOM 1010 C GLU A 59 15.366 -4.566 -5.531 1.00 0.00 C ATOM 1011 O GLU A 59 15.371 -3.730 -6.406 1.00 0.00 O ATOM 1012 CB GLU A 59 15.821 -6.973 -5.985 1.00 0.00 C ATOM 1013 CG GLU A 59 16.915 -8.040 -6.051 1.00 0.00 C ATOM 1014 CD GLU A 59 16.304 -9.371 -6.495 1.00 0.00 C ATOM 1015 OE1 GLU A 59 15.175 -9.638 -6.116 1.00 0.00 O ATOM 1016 OE2 GLU A 59 16.975 -10.101 -7.206 1.00 0.00 O ATOM 0 H GLU A 59 16.544 -6.671 -3.622 1.00 0.00 H new ATOM 0 HA GLU A 59 17.266 -5.393 -6.115 1.00 0.00 H new ATOM 0 HB2 GLU A 59 15.021 -7.298 -5.320 1.00 0.00 H new ATOM 0 HB3 GLU A 59 15.378 -6.830 -6.971 1.00 0.00 H new ATOM 0 HG2 GLU A 59 17.694 -7.734 -6.749 1.00 0.00 H new ATOM 0 HG3 GLU A 59 17.388 -8.152 -5.075 1.00 0.00 H new ATOM 1023 N GLU A 60 14.466 -4.546 -4.581 1.00 0.00 N ATOM 1024 CA GLU A 60 13.436 -3.476 -4.581 1.00 0.00 C ATOM 1025 C GLU A 60 14.023 -2.253 -3.885 1.00 0.00 C ATOM 1026 O GLU A 60 13.653 -1.140 -4.164 1.00 0.00 O ATOM 1027 CB GLU A 60 12.186 -3.955 -3.845 1.00 0.00 C ATOM 1028 CG GLU A 60 11.804 -5.353 -4.341 1.00 0.00 C ATOM 1029 CD GLU A 60 11.603 -5.327 -5.859 1.00 0.00 C ATOM 1030 OE1 GLU A 60 10.835 -4.500 -6.321 1.00 0.00 O ATOM 1031 OE2 GLU A 60 12.223 -6.135 -6.532 1.00 0.00 O ATOM 0 H GLU A 60 14.403 -5.218 -3.816 1.00 0.00 H new ATOM 0 HA GLU A 60 13.153 -3.223 -5.603 1.00 0.00 H new ATOM 0 HB2 GLU A 60 12.370 -3.976 -2.771 1.00 0.00 H new ATOM 0 HB3 GLU A 60 11.363 -3.260 -4.014 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.585 -6.067 -4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 60 10.890 -5.686 -3.849 1.00 0.00 H new ATOM 1038 N ASP A 61 14.957 -2.450 -2.990 1.00 0.00 N ATOM 1039 CA ASP A 61 15.574 -1.283 -2.296 1.00 0.00 C ATOM 1040 C ASP A 61 16.282 -0.412 -3.338 1.00 0.00 C ATOM 1041 O ASP A 61 15.997 0.759 -3.488 1.00 0.00 O ATOM 1042 CB ASP A 61 16.596 -1.780 -1.251 1.00 0.00 C ATOM 1043 CG ASP A 61 16.762 -0.740 -0.136 1.00 0.00 C ATOM 1044 OD1 ASP A 61 16.321 0.382 -0.328 1.00 0.00 O ATOM 1045 OD2 ASP A 61 17.327 -1.085 0.889 1.00 0.00 O ATOM 0 H ASP A 61 15.316 -3.363 -2.712 1.00 0.00 H new ATOM 0 HA ASP A 61 14.804 -0.702 -1.788 1.00 0.00 H new ATOM 0 HB2 ASP A 61 16.263 -2.728 -0.828 1.00 0.00 H new ATOM 0 HB3 ASP A 61 17.557 -1.966 -1.731 1.00 0.00 H new ATOM 1050 N MET A 62 17.207 -0.988 -4.058 1.00 0.00 N ATOM 1051 CA MET A 62 17.942 -0.215 -5.092 1.00 0.00 C ATOM 1052 C MET A 62 16.953 0.314 -6.129 1.00 0.00 C ATOM 1053 O MET A 62 17.068 1.430 -6.594 1.00 0.00 O ATOM 1054 CB MET A 62 18.967 -1.122 -5.776 1.00 0.00 C ATOM 1055 CG MET A 62 20.067 -1.492 -4.780 1.00 0.00 C ATOM 1056 SD MET A 62 21.162 -2.727 -5.523 1.00 0.00 S ATOM 1057 CE MET A 62 22.396 -2.761 -4.200 1.00 0.00 C ATOM 0 H MET A 62 17.484 -1.966 -3.971 1.00 0.00 H new ATOM 0 HA MET A 62 18.458 0.623 -4.622 1.00 0.00 H new ATOM 0 HB2 MET A 62 18.480 -2.024 -6.147 1.00 0.00 H new ATOM 0 HB3 MET A 62 19.399 -0.615 -6.639 1.00 0.00 H new ATOM 0 HG2 MET A 62 20.636 -0.604 -4.504 1.00 0.00 H new ATOM 0 HG3 MET A 62 19.626 -1.885 -3.864 1.00 0.00 H new ATOM 0 HE1 MET A 62 23.182 -3.472 -4.454 1.00 0.00 H new ATOM 0 HE2 MET A 62 22.829 -1.768 -4.081 1.00 0.00 H new ATOM 0 HE3 MET A 62 21.921 -3.064 -3.267 1.00 0.00 H new ATOM 1067 N LEU A 63 15.977 -0.476 -6.498 1.00 0.00 N ATOM 1068 CA LEU A 63 14.983 0.004 -7.511 1.00 0.00 C ATOM 1069 C LEU A 63 13.994 0.958 -6.828 1.00 0.00 C ATOM 1070 O LEU A 63 13.407 1.814 -7.461 1.00 0.00 O ATOM 1071 CB LEU A 63 14.239 -1.204 -8.117 1.00 0.00 C ATOM 1072 CG LEU A 63 15.030 -1.795 -9.302 1.00 0.00 C ATOM 1073 CD1 LEU A 63 16.508 -2.011 -8.920 1.00 0.00 C ATOM 1074 CD2 LEU A 63 14.399 -3.135 -9.704 1.00 0.00 C ATOM 0 H LEU A 63 15.824 -1.422 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 63 15.494 0.535 -8.314 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.094 -1.968 -7.353 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.249 -0.896 -8.452 1.00 0.00 H new ATOM 0 HG LEU A 63 14.992 -1.097 -10.138 1.00 0.00 H new ATOM 0 HD11 LEU A 63 17.046 -2.428 -9.771 1.00 0.00 H new ATOM 0 HD12 LEU A 63 16.955 -1.057 -8.641 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.569 -2.701 -8.078 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.952 -3.561 -10.542 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.435 -3.822 -8.859 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.362 -2.975 -9.998 1.00 0.00 H new ATOM 1086 N LEU A 64 13.815 0.831 -5.541 1.00 0.00 N ATOM 1087 CA LEU A 64 12.880 1.744 -4.823 1.00 0.00 C ATOM 1088 C LEU A 64 13.556 3.106 -4.698 1.00 0.00 C ATOM 1089 O LEU A 64 12.942 4.132 -4.877 1.00 0.00 O ATOM 1090 CB LEU A 64 12.565 1.169 -3.430 1.00 0.00 C ATOM 1091 CG LEU A 64 11.830 2.194 -2.551 1.00 0.00 C ATOM 1092 CD1 LEU A 64 10.567 2.696 -3.269 1.00 0.00 C ATOM 1093 CD2 LEU A 64 11.436 1.518 -1.227 1.00 0.00 C ATOM 0 H LEU A 64 14.276 0.134 -4.956 1.00 0.00 H new ATOM 0 HA LEU A 64 11.943 1.845 -5.370 1.00 0.00 H new ATOM 0 HB2 LEU A 64 11.953 0.273 -3.535 1.00 0.00 H new ATOM 0 HB3 LEU A 64 13.492 0.867 -2.942 1.00 0.00 H new ATOM 0 HG LEU A 64 12.484 3.044 -2.357 1.00 0.00 H new ATOM 0 HD11 LEU A 64 10.054 3.422 -2.638 1.00 0.00 H new ATOM 0 HD12 LEU A 64 10.847 3.168 -4.211 1.00 0.00 H new ATOM 0 HD13 LEU A 64 9.903 1.855 -3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.913 2.235 -0.594 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.782 0.670 -1.432 1.00 0.00 H new ATOM 0 HD23 LEU A 64 12.333 1.169 -0.716 1.00 0.00 H new ATOM 1105 N ASP A 65 14.827 3.127 -4.404 1.00 0.00 N ATOM 1106 CA ASP A 65 15.540 4.432 -4.284 1.00 0.00 C ATOM 1107 C ASP A 65 15.237 5.281 -5.521 1.00 0.00 C ATOM 1108 O ASP A 65 15.199 6.493 -5.466 1.00 0.00 O ATOM 1109 CB ASP A 65 17.045 4.181 -4.194 1.00 0.00 C ATOM 1110 CG ASP A 65 17.759 5.482 -3.822 1.00 0.00 C ATOM 1111 OD1 ASP A 65 17.251 6.192 -2.970 1.00 0.00 O ATOM 1112 OD2 ASP A 65 18.803 5.747 -4.397 1.00 0.00 O ATOM 0 H ASP A 65 15.402 2.300 -4.242 1.00 0.00 H new ATOM 0 HA ASP A 65 15.206 4.955 -3.388 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.252 3.414 -3.448 1.00 0.00 H new ATOM 0 HB3 ASP A 65 17.420 3.808 -5.147 1.00 0.00 H new ATOM 1117 N GLN A 66 15.013 4.640 -6.638 1.00 0.00 N ATOM 1118 CA GLN A 66 14.703 5.391 -7.889 1.00 0.00 C ATOM 1119 C GLN A 66 13.237 5.836 -7.879 1.00 0.00 C ATOM 1120 O GLN A 66 12.916 6.951 -8.239 1.00 0.00 O ATOM 1121 CB GLN A 66 14.953 4.489 -9.099 1.00 0.00 C ATOM 1122 CG GLN A 66 16.451 4.204 -9.223 1.00 0.00 C ATOM 1123 CD GLN A 66 16.708 3.358 -10.472 1.00 0.00 C ATOM 1124 OE1 GLN A 66 15.924 2.491 -10.804 1.00 0.00 O ATOM 1125 NE2 GLN A 66 17.780 3.575 -11.182 1.00 0.00 N ATOM 0 H GLN A 66 15.032 3.625 -6.737 1.00 0.00 H new ATOM 0 HA GLN A 66 15.345 6.270 -7.948 1.00 0.00 H new ATOM 0 HB2 GLN A 66 14.402 3.555 -8.989 1.00 0.00 H new ATOM 0 HB3 GLN A 66 14.587 4.970 -10.006 1.00 0.00 H new ATOM 0 HG2 GLN A 66 17.006 5.140 -9.284 1.00 0.00 H new ATOM 0 HG3 GLN A 66 16.807 3.680 -8.336 1.00 0.00 H new ATOM 0 HE21 GLN A 66 18.438 4.303 -10.903 1.00 0.00 H new ATOM 0 HE22 GLN A 66 17.961 3.017 -12.016 1.00 0.00 H new ATOM 1134 N LYS A 67 12.343 4.974 -7.474 1.00 0.00 N ATOM 1135 CA LYS A 67 10.899 5.355 -7.452 1.00 0.00 C ATOM 1136 C LYS A 67 10.643 6.300 -6.277 1.00 0.00 C ATOM 1137 O LYS A 67 10.132 7.389 -6.440 1.00 0.00 O ATOM 1138 CB LYS A 67 10.043 4.097 -7.290 1.00 0.00 C ATOM 1139 CG LYS A 67 10.186 3.218 -8.535 1.00 0.00 C ATOM 1140 CD LYS A 67 9.487 1.879 -8.297 1.00 0.00 C ATOM 1141 CE LYS A 67 9.745 0.949 -9.483 1.00 0.00 C ATOM 1142 NZ LYS A 67 9.035 -0.342 -9.266 1.00 0.00 N ATOM 0 H LYS A 67 12.548 4.026 -7.158 1.00 0.00 H new ATOM 0 HA LYS A 67 10.638 5.854 -8.385 1.00 0.00 H new ATOM 0 HB2 LYS A 67 10.354 3.544 -6.404 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.998 4.371 -7.144 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.750 3.719 -9.399 1.00 0.00 H new ATOM 0 HG3 LYS A 67 11.240 3.055 -8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 67 9.855 1.423 -7.378 1.00 0.00 H new ATOM 0 HD3 LYS A 67 8.416 2.034 -8.169 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.400 1.415 -10.406 1.00 0.00 H new ATOM 0 HE3 LYS A 67 10.815 0.773 -9.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.646 -1.129 -9.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.805 -0.446 -8.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 8.158 -0.354 -9.824 1.00 0.00 H new ATOM 1156 N TYR A 68 11.007 5.894 -5.093 1.00 0.00 N ATOM 1157 CA TYR A 68 10.804 6.761 -3.896 1.00 0.00 C ATOM 1158 C TYR A 68 11.387 8.150 -4.189 1.00 0.00 C ATOM 1159 O TYR A 68 10.796 9.164 -3.886 1.00 0.00 O ATOM 1160 CB TYR A 68 11.518 6.115 -2.692 1.00 0.00 C ATOM 1161 CG TYR A 68 11.771 7.138 -1.604 1.00 0.00 C ATOM 1162 CD1 TYR A 68 12.894 7.969 -1.684 1.00 0.00 C ATOM 1163 CD2 TYR A 68 10.884 7.261 -0.528 1.00 0.00 C ATOM 1164 CE1 TYR A 68 13.134 8.921 -0.690 1.00 0.00 C ATOM 1165 CE2 TYR A 68 11.123 8.214 0.469 1.00 0.00 C ATOM 1166 CZ TYR A 68 12.248 9.044 0.388 1.00 0.00 C ATOM 1167 OH TYR A 68 12.483 9.985 1.371 1.00 0.00 O ATOM 0 H TYR A 68 11.440 4.991 -4.900 1.00 0.00 H new ATOM 0 HA TYR A 68 9.744 6.864 -3.666 1.00 0.00 H new ATOM 0 HB2 TYR A 68 10.910 5.301 -2.297 1.00 0.00 H new ATOM 0 HB3 TYR A 68 12.464 5.680 -3.015 1.00 0.00 H new ATOM 0 HD1 TYR A 68 13.576 7.874 -2.516 1.00 0.00 H new ATOM 0 HD2 TYR A 68 10.016 6.621 -0.467 1.00 0.00 H new ATOM 0 HE1 TYR A 68 14.001 9.561 -0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.440 8.309 1.300 1.00 0.00 H new ATOM 0 HH TYR A 68 11.773 9.939 2.044 1.00 0.00 H new ATOM 1177 N ALA A 69 12.541 8.198 -4.783 1.00 0.00 N ATOM 1178 CA ALA A 69 13.162 9.512 -5.105 1.00 0.00 C ATOM 1179 C ALA A 69 12.141 10.374 -5.856 1.00 0.00 C ATOM 1180 O ALA A 69 12.103 11.580 -5.715 1.00 0.00 O ATOM 1181 CB ALA A 69 14.394 9.276 -5.985 1.00 0.00 C ATOM 0 H ALA A 69 13.085 7.382 -5.062 1.00 0.00 H new ATOM 0 HA ALA A 69 13.463 10.023 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 69 14.857 10.233 -6.227 1.00 0.00 H new ATOM 0 HB2 ALA A 69 15.109 8.652 -5.450 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.093 8.775 -6.905 1.00 0.00 H new ATOM 1187 N GLU A 70 11.311 9.751 -6.651 1.00 0.00 N ATOM 1188 CA GLU A 70 10.276 10.498 -7.423 1.00 0.00 C ATOM 1189 C GLU A 70 8.963 10.527 -6.632 1.00 0.00 C ATOM 1190 O GLU A 70 8.407 11.574 -6.366 1.00 0.00 O ATOM 1191 CB GLU A 70 10.053 9.781 -8.757 1.00 0.00 C ATOM 1192 CG GLU A 70 11.250 10.026 -9.681 1.00 0.00 C ATOM 1193 CD GLU A 70 11.029 9.296 -11.007 1.00 0.00 C ATOM 1194 OE1 GLU A 70 10.502 8.197 -10.974 1.00 0.00 O ATOM 1195 OE2 GLU A 70 11.392 9.849 -12.033 1.00 0.00 O ATOM 0 H GLU A 70 11.307 8.742 -6.800 1.00 0.00 H new ATOM 0 HA GLU A 70 10.608 11.521 -7.598 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.924 8.712 -8.589 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.138 10.143 -9.227 1.00 0.00 H new ATOM 0 HG2 GLU A 70 11.374 11.094 -9.858 1.00 0.00 H new ATOM 0 HG3 GLU A 70 12.166 9.673 -9.208 1.00 0.00 H new ATOM 1202 N TYR A 71 8.453 9.375 -6.282 1.00 0.00 N ATOM 1203 CA TYR A 71 7.162 9.314 -5.537 1.00 0.00 C ATOM 1204 C TYR A 71 7.361 9.682 -4.065 1.00 0.00 C ATOM 1205 O TYR A 71 6.573 10.407 -3.491 1.00 0.00 O ATOM 1206 CB TYR A 71 6.601 7.896 -5.641 1.00 0.00 C ATOM 1207 CG TYR A 71 6.279 7.587 -7.087 1.00 0.00 C ATOM 1208 CD1 TYR A 71 5.057 8.001 -7.633 1.00 0.00 C ATOM 1209 CD2 TYR A 71 7.198 6.891 -7.881 1.00 0.00 C ATOM 1210 CE1 TYR A 71 4.756 7.718 -8.970 1.00 0.00 C ATOM 1211 CE2 TYR A 71 6.897 6.608 -9.218 1.00 0.00 C ATOM 1212 CZ TYR A 71 5.676 7.020 -9.762 1.00 0.00 C ATOM 1213 OH TYR A 71 5.378 6.742 -11.081 1.00 0.00 O ATOM 0 H TYR A 71 8.878 8.470 -6.482 1.00 0.00 H new ATOM 0 HA TYR A 71 6.466 10.030 -5.974 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.325 7.178 -5.257 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.704 7.802 -5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 71 4.347 8.539 -7.022 1.00 0.00 H new ATOM 0 HD2 TYR A 71 8.141 6.572 -7.461 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.814 8.038 -9.391 1.00 0.00 H new ATOM 0 HE2 TYR A 71 7.607 6.072 -9.830 1.00 0.00 H new ATOM 0 HH TYR A 71 6.123 6.253 -11.489 1.00 0.00 H new ATOM 1223 N GLY A 72 8.398 9.186 -3.445 1.00 0.00 N ATOM 1224 CA GLY A 72 8.642 9.503 -2.000 1.00 0.00 C ATOM 1225 C GLY A 72 8.057 8.370 -1.148 1.00 0.00 C ATOM 1226 O GLY A 72 8.005 7.240 -1.591 1.00 0.00 O ATOM 0 H GLY A 72 9.091 8.573 -3.875 1.00 0.00 H new ATOM 0 HA2 GLY A 72 9.710 9.607 -1.810 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.178 10.453 -1.737 1.00 0.00 H new ATOM 1230 N PRO A 73 7.618 8.639 0.062 1.00 0.00 N ATOM 1231 CA PRO A 73 7.046 7.577 0.929 1.00 0.00 C ATOM 1232 C PRO A 73 5.606 7.240 0.529 1.00 0.00 C ATOM 1233 O PRO A 73 4.808 6.815 1.341 1.00 0.00 O ATOM 1234 CB PRO A 73 7.118 8.181 2.338 1.00 0.00 C ATOM 1235 CG PRO A 73 6.993 9.661 2.123 1.00 0.00 C ATOM 1236 CD PRO A 73 7.610 9.955 0.741 1.00 0.00 C ATOM 0 HA PRO A 73 7.586 6.633 0.851 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.316 7.804 2.972 1.00 0.00 H new ATOM 0 HB3 PRO A 73 8.058 7.930 2.829 1.00 0.00 H new ATOM 0 HG2 PRO A 73 5.949 9.971 2.156 1.00 0.00 H new ATOM 0 HG3 PRO A 73 7.514 10.212 2.906 1.00 0.00 H new ATOM 0 HD2 PRO A 73 7.019 10.685 0.188 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.617 10.363 0.832 1.00 0.00 H new ATOM 1244 N LYS A 74 5.272 7.417 -0.724 1.00 0.00 N ATOM 1245 CA LYS A 74 3.892 7.096 -1.183 1.00 0.00 C ATOM 1246 C LYS A 74 3.823 5.603 -1.503 1.00 0.00 C ATOM 1247 O LYS A 74 3.686 5.205 -2.642 1.00 0.00 O ATOM 1248 CB LYS A 74 3.583 7.908 -2.440 1.00 0.00 C ATOM 1249 CG LYS A 74 3.292 9.364 -2.060 1.00 0.00 C ATOM 1250 CD LYS A 74 3.182 10.210 -3.330 1.00 0.00 C ATOM 1251 CE LYS A 74 2.834 11.652 -2.953 1.00 0.00 C ATOM 1252 NZ LYS A 74 3.892 12.201 -2.058 1.00 0.00 N ATOM 0 H LYS A 74 5.898 7.770 -1.448 1.00 0.00 H new ATOM 0 HA LYS A 74 3.165 7.342 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 74 4.427 7.864 -3.129 1.00 0.00 H new ATOM 0 HB3 LYS A 74 2.725 7.480 -2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.366 9.424 -1.489 1.00 0.00 H new ATOM 0 HG3 LYS A 74 4.086 9.750 -1.421 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.123 10.183 -3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.416 9.800 -3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 74 2.749 12.264 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 74 1.866 11.685 -2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 3.843 13.240 -2.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 3.746 11.848 -1.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.827 11.898 -2.399 1.00 0.00 H new ATOM 1266 N TRP A 75 3.928 4.777 -0.502 1.00 0.00 N ATOM 1267 CA TRP A 75 3.887 3.310 -0.728 1.00 0.00 C ATOM 1268 C TRP A 75 2.608 2.936 -1.480 1.00 0.00 C ATOM 1269 O TRP A 75 2.418 1.804 -1.880 1.00 0.00 O ATOM 1270 CB TRP A 75 3.942 2.592 0.627 1.00 0.00 C ATOM 1271 CG TRP A 75 4.873 3.327 1.549 1.00 0.00 C ATOM 1272 CD1 TRP A 75 4.519 3.842 2.748 1.00 0.00 C ATOM 1273 CD2 TRP A 75 6.289 3.647 1.373 1.00 0.00 C ATOM 1274 NE1 TRP A 75 5.625 4.431 3.330 1.00 0.00 N ATOM 1275 CE2 TRP A 75 6.737 4.344 2.521 1.00 0.00 C ATOM 1276 CE3 TRP A 75 7.223 3.400 0.348 1.00 0.00 C ATOM 1277 CZ2 TRP A 75 8.057 4.779 2.648 1.00 0.00 C ATOM 1278 CZ3 TRP A 75 8.550 3.839 0.473 1.00 0.00 C ATOM 1279 CH2 TRP A 75 8.966 4.526 1.620 1.00 0.00 C ATOM 0 H TRP A 75 4.041 5.060 0.472 1.00 0.00 H new ATOM 0 HA TRP A 75 4.743 3.005 -1.330 1.00 0.00 H new ATOM 0 HB2 TRP A 75 2.945 2.542 1.064 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.283 1.565 0.492 1.00 0.00 H new ATOM 0 HD1 TRP A 75 3.531 3.800 3.181 1.00 0.00 H new ATOM 0 HE1 TRP A 75 5.619 4.876 4.248 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.916 2.869 -0.541 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.373 5.308 3.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 9.256 3.646 -0.321 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.989 4.860 1.709 1.00 0.00 H new ATOM 1290 N ASN A 76 1.738 3.881 -1.688 1.00 0.00 N ATOM 1291 CA ASN A 76 0.481 3.587 -2.426 1.00 0.00 C ATOM 1292 C ASN A 76 0.821 3.403 -3.903 1.00 0.00 C ATOM 1293 O ASN A 76 0.237 2.592 -4.592 1.00 0.00 O ATOM 1294 CB ASN A 76 -0.495 4.754 -2.265 1.00 0.00 C ATOM 1295 CG ASN A 76 -1.779 4.457 -3.041 1.00 0.00 C ATOM 1296 OD1 ASN A 76 -2.831 4.290 -2.458 1.00 0.00 O ATOM 1297 ND2 ASN A 76 -1.736 4.385 -4.344 1.00 0.00 N ATOM 0 H ASN A 76 1.843 4.847 -1.378 1.00 0.00 H new ATOM 0 HA ASN A 76 0.018 2.682 -2.032 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -0.723 4.909 -1.210 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -0.041 5.675 -2.631 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.586 4.188 -4.872 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.852 4.525 -4.834 1.00 0.00 H new ATOM 1304 N LYS A 77 1.779 4.149 -4.390 1.00 0.00 N ATOM 1305 CA LYS A 77 2.186 4.023 -5.818 1.00 0.00 C ATOM 1306 C LYS A 77 3.206 2.895 -5.933 1.00 0.00 C ATOM 1307 O LYS A 77 3.229 2.155 -6.895 1.00 0.00 O ATOM 1308 CB LYS A 77 2.835 5.329 -6.282 1.00 0.00 C ATOM 1309 CG LYS A 77 1.876 6.515 -6.071 1.00 0.00 C ATOM 1310 CD LYS A 77 0.785 6.525 -7.153 1.00 0.00 C ATOM 1311 CE LYS A 77 0.019 7.850 -7.091 1.00 0.00 C ATOM 1312 NZ LYS A 77 -1.108 7.818 -8.066 1.00 0.00 N ATOM 0 H LYS A 77 2.299 4.844 -3.854 1.00 0.00 H new ATOM 0 HA LYS A 77 1.313 3.812 -6.435 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.759 5.499 -5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.103 5.254 -7.336 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.417 6.448 -5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.434 7.451 -6.100 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.233 6.397 -8.138 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.101 5.690 -7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.362 8.015 -6.083 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.688 8.680 -7.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.629 8.717 -8.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -0.733 7.679 -9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.750 7.035 -7.829 1.00 0.00 H new ATOM 1326 N ILE A 78 4.058 2.767 -4.956 1.00 0.00 N ATOM 1327 CA ILE A 78 5.087 1.696 -4.998 1.00 0.00 C ATOM 1328 C ILE A 78 4.402 0.332 -4.888 1.00 0.00 C ATOM 1329 O ILE A 78 4.597 -0.537 -5.707 1.00 0.00 O ATOM 1330 CB ILE A 78 6.053 1.885 -3.821 1.00 0.00 C ATOM 1331 CG1 ILE A 78 6.423 3.369 -3.685 1.00 0.00 C ATOM 1332 CG2 ILE A 78 7.321 1.057 -4.047 1.00 0.00 C ATOM 1333 CD1 ILE A 78 6.886 3.935 -5.033 1.00 0.00 C ATOM 0 H ILE A 78 4.085 3.361 -4.127 1.00 0.00 H new ATOM 0 HA ILE A 78 5.639 1.747 -5.936 1.00 0.00 H new ATOM 0 HB ILE A 78 5.566 1.550 -2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 78 5.563 3.932 -3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 78 7.214 3.486 -2.944 1.00 0.00 H new ATOM 0 HG21 ILE A 78 8.001 1.197 -3.207 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.057 0.003 -4.129 1.00 0.00 H new ATOM 0 HG23 ILE A 78 7.808 1.381 -4.966 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.144 4.988 -4.916 1.00 0.00 H new ATOM 0 HD12 ILE A 78 7.760 3.383 -5.378 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.083 3.837 -5.764 1.00 0.00 H new ATOM 1345 N SER A 79 3.602 0.145 -3.878 1.00 0.00 N ATOM 1346 CA SER A 79 2.901 -1.163 -3.707 1.00 0.00 C ATOM 1347 C SER A 79 2.223 -1.592 -5.012 1.00 0.00 C ATOM 1348 O SER A 79 1.973 -2.761 -5.231 1.00 0.00 O ATOM 1349 CB SER A 79 1.851 -1.038 -2.603 1.00 0.00 C ATOM 1350 OG SER A 79 0.765 -0.252 -3.074 1.00 0.00 O ATOM 0 H SER A 79 3.401 0.841 -3.160 1.00 0.00 H new ATOM 0 HA SER A 79 3.638 -1.919 -3.435 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.498 -2.026 -2.307 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.290 -0.578 -1.718 1.00 0.00 H new ATOM 0 HG SER A 79 0.913 0.687 -2.836 1.00 0.00 H new ATOM 1356 N LYS A 80 1.914 -0.667 -5.876 1.00 0.00 N ATOM 1357 CA LYS A 80 1.245 -1.039 -7.155 1.00 0.00 C ATOM 1358 C LYS A 80 2.280 -1.635 -8.103 1.00 0.00 C ATOM 1359 O LYS A 80 1.949 -2.321 -9.050 1.00 0.00 O ATOM 1360 CB LYS A 80 0.621 0.206 -7.794 1.00 0.00 C ATOM 1361 CG LYS A 80 -0.638 0.607 -7.022 1.00 0.00 C ATOM 1362 CD LYS A 80 -1.212 1.897 -7.611 1.00 0.00 C ATOM 1363 CE LYS A 80 -2.528 2.238 -6.911 1.00 0.00 C ATOM 1364 NZ LYS A 80 -3.084 3.496 -7.484 1.00 0.00 N ATOM 0 H LYS A 80 2.095 0.329 -5.753 1.00 0.00 H new ATOM 0 HA LYS A 80 0.461 -1.770 -6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.338 1.027 -7.790 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.372 0.005 -8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.379 -0.190 -7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -0.400 0.751 -5.968 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.500 2.713 -7.488 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.378 1.778 -8.682 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.241 1.423 -7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.363 2.356 -5.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.996 3.710 -7.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.420 4.278 -7.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.224 3.379 -8.508 1.00 0.00 H new ATOM 1378 N PHE A 81 3.534 -1.378 -7.855 1.00 0.00 N ATOM 1379 CA PHE A 81 4.601 -1.926 -8.736 1.00 0.00 C ATOM 1380 C PHE A 81 4.992 -3.305 -8.204 1.00 0.00 C ATOM 1381 O PHE A 81 5.643 -4.085 -8.869 1.00 0.00 O ATOM 1382 CB PHE A 81 5.812 -0.975 -8.699 1.00 0.00 C ATOM 1383 CG PHE A 81 5.630 0.142 -9.711 1.00 0.00 C ATOM 1384 CD1 PHE A 81 5.820 -0.118 -11.074 1.00 0.00 C ATOM 1385 CD2 PHE A 81 5.271 1.429 -9.290 1.00 0.00 C ATOM 1386 CE1 PHE A 81 5.653 0.906 -12.013 1.00 0.00 C ATOM 1387 CE2 PHE A 81 5.104 2.454 -10.230 1.00 0.00 C ATOM 1388 CZ PHE A 81 5.295 2.192 -11.592 1.00 0.00 C ATOM 0 H PHE A 81 3.866 -0.809 -7.076 1.00 0.00 H new ATOM 0 HA PHE A 81 4.254 -2.015 -9.765 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.924 -0.556 -7.699 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.725 -1.528 -8.917 1.00 0.00 H new ATOM 0 HD1 PHE A 81 6.096 -1.110 -11.401 1.00 0.00 H new ATOM 0 HD2 PHE A 81 5.123 1.631 -8.239 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.800 0.704 -13.064 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.828 3.446 -9.904 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.166 2.982 -12.317 1.00 0.00 H new ATOM 1398 N LEU A 82 4.594 -3.598 -6.998 1.00 0.00 N ATOM 1399 CA LEU A 82 4.924 -4.915 -6.372 1.00 0.00 C ATOM 1400 C LEU A 82 3.730 -5.858 -6.548 1.00 0.00 C ATOM 1401 O LEU A 82 3.861 -6.938 -7.084 1.00 0.00 O ATOM 1402 CB LEU A 82 5.196 -4.684 -4.877 1.00 0.00 C ATOM 1403 CG LEU A 82 6.619 -4.110 -4.652 1.00 0.00 C ATOM 1404 CD1 LEU A 82 6.948 -3.006 -5.669 1.00 0.00 C ATOM 1405 CD2 LEU A 82 6.714 -3.514 -3.242 1.00 0.00 C ATOM 0 H LEU A 82 4.045 -2.973 -6.408 1.00 0.00 H new ATOM 0 HA LEU A 82 5.803 -5.358 -6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.454 -3.996 -4.471 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.089 -5.624 -4.335 1.00 0.00 H new ATOM 0 HG LEU A 82 7.330 -4.927 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.953 -2.627 -5.482 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.896 -3.414 -6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.229 -2.193 -5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.714 -3.111 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.980 -2.716 -3.134 1.00 0.00 H new ATOM 0 HD23 LEU A 82 6.516 -4.291 -2.504 1.00 0.00 H new ATOM 1417 N LYS A 83 2.574 -5.454 -6.086 1.00 0.00 N ATOM 1418 CA LYS A 83 1.358 -6.304 -6.202 1.00 0.00 C ATOM 1419 C LYS A 83 1.601 -7.578 -5.422 1.00 0.00 C ATOM 1420 O LYS A 83 0.843 -8.525 -5.497 1.00 0.00 O ATOM 1421 CB LYS A 83 1.068 -6.638 -7.670 1.00 0.00 C ATOM 1422 CG LYS A 83 1.148 -5.358 -8.512 1.00 0.00 C ATOM 1423 CD LYS A 83 0.871 -5.672 -9.998 1.00 0.00 C ATOM 1424 CE LYS A 83 2.144 -6.186 -10.685 1.00 0.00 C ATOM 1425 NZ LYS A 83 1.887 -6.349 -12.143 1.00 0.00 N ATOM 0 H LYS A 83 2.423 -4.556 -5.627 1.00 0.00 H new ATOM 0 HA LYS A 83 0.495 -5.770 -5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.786 -7.372 -8.036 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.079 -7.086 -7.763 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.424 -4.629 -8.147 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.135 -4.907 -8.407 1.00 0.00 H new ATOM 0 HD2 LYS A 83 0.081 -6.419 -10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.514 -4.776 -10.505 1.00 0.00 H new ATOM 0 HE2 LYS A 83 2.965 -5.487 -10.525 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.447 -7.138 -10.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.748 -6.697 -12.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.116 -7.032 -12.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 1.617 -5.432 -12.553 1.00 0.00 H new ATOM 1439 N ASN A 84 2.672 -7.598 -4.671 1.00 0.00 N ATOM 1440 CA ASN A 84 3.024 -8.794 -3.857 1.00 0.00 C ATOM 1441 C ASN A 84 3.170 -8.378 -2.394 1.00 0.00 C ATOM 1442 O ASN A 84 3.153 -9.204 -1.502 1.00 0.00 O ATOM 1443 CB ASN A 84 4.338 -9.379 -4.377 1.00 0.00 C ATOM 1444 CG ASN A 84 4.100 -10.011 -5.751 1.00 0.00 C ATOM 1445 OD1 ASN A 84 4.464 -11.147 -5.982 1.00 0.00 O ATOM 1446 ND2 ASN A 84 3.498 -9.315 -6.679 1.00 0.00 N ATOM 0 H ASN A 84 3.327 -6.821 -4.588 1.00 0.00 H new ATOM 0 HA ASN A 84 2.242 -9.549 -3.934 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.094 -8.597 -4.449 1.00 0.00 H new ATOM 0 HB3 ASN A 84 4.718 -10.127 -3.681 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.333 -9.725 -7.598 1.00 0.00 H new ATOM 0 HD22 ASN A 84 3.193 -8.361 -6.484 1.00 0.00 H new ATOM 1453 N ARG A 85 3.294 -7.094 -2.140 1.00 0.00 N ATOM 1454 CA ARG A 85 3.421 -6.594 -0.730 1.00 0.00 C ATOM 1455 C ARG A 85 2.383 -5.508 -0.493 1.00 0.00 C ATOM 1456 O ARG A 85 1.558 -5.224 -1.338 1.00 0.00 O ATOM 1457 CB ARG A 85 4.822 -6.021 -0.505 1.00 0.00 C ATOM 1458 CG ARG A 85 5.888 -7.152 -0.530 1.00 0.00 C ATOM 1459 CD ARG A 85 6.460 -7.326 -1.947 1.00 0.00 C ATOM 1460 NE ARG A 85 7.051 -8.688 -2.078 1.00 0.00 N ATOM 1461 CZ ARG A 85 7.741 -9.001 -3.141 1.00 0.00 C ATOM 1462 NH1 ARG A 85 7.915 -8.123 -4.090 1.00 0.00 N ATOM 1463 NH2 ARG A 85 8.258 -10.195 -3.253 1.00 0.00 N ATOM 0 H ARG A 85 3.313 -6.366 -2.854 1.00 0.00 H new ATOM 0 HA ARG A 85 3.259 -7.418 -0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 85 5.047 -5.285 -1.276 1.00 0.00 H new ATOM 0 HB3 ARG A 85 4.858 -5.501 0.452 1.00 0.00 H new ATOM 0 HG2 ARG A 85 6.693 -6.916 0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 85 5.441 -8.088 -0.195 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.673 -7.186 -2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.219 -6.568 -2.140 1.00 0.00 H new ATOM 0 HE ARG A 85 6.916 -9.376 -1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.512 -7.190 -4.002 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.454 -8.369 -4.920 1.00 0.00 H new ATOM 0 HH21 ARG A 85 8.122 -10.881 -2.511 1.00 0.00 H new ATOM 0 HH22 ARG A 85 8.797 -10.441 -4.083 1.00 0.00 H new ATOM 1477 N SER A 86 2.407 -4.920 0.675 1.00 0.00 N ATOM 1478 CA SER A 86 1.420 -3.866 1.033 1.00 0.00 C ATOM 1479 C SER A 86 2.164 -2.661 1.581 1.00 0.00 C ATOM 1480 O SER A 86 3.307 -2.737 1.971 1.00 0.00 O ATOM 1481 CB SER A 86 0.476 -4.411 2.107 1.00 0.00 C ATOM 1482 OG SER A 86 1.228 -5.154 3.057 1.00 0.00 O ATOM 0 H SER A 86 3.084 -5.133 1.408 1.00 0.00 H new ATOM 0 HA SER A 86 0.846 -3.576 0.153 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.046 -3.591 2.600 1.00 0.00 H new ATOM 0 HB3 SER A 86 -0.285 -5.045 1.652 1.00 0.00 H new ATOM 0 HG SER A 86 0.795 -5.096 3.934 1.00 0.00 H new ATOM 1488 N ASP A 87 1.505 -1.555 1.623 1.00 0.00 N ATOM 1489 CA ASP A 87 2.146 -0.327 2.147 1.00 0.00 C ATOM 1490 C ASP A 87 2.569 -0.577 3.591 1.00 0.00 C ATOM 1491 O ASP A 87 3.563 -0.060 4.062 1.00 0.00 O ATOM 1492 CB ASP A 87 1.152 0.836 2.081 1.00 0.00 C ATOM 1493 CG ASP A 87 -0.208 0.375 2.609 1.00 0.00 C ATOM 1494 OD1 ASP A 87 -0.764 -0.544 2.032 1.00 0.00 O ATOM 1495 OD2 ASP A 87 -0.668 0.950 3.582 1.00 0.00 O ATOM 0 H ASP A 87 0.539 -1.442 1.315 1.00 0.00 H new ATOM 0 HA ASP A 87 3.021 -0.073 1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.518 1.675 2.672 1.00 0.00 H new ATOM 0 HB3 ASP A 87 1.055 1.188 1.054 1.00 0.00 H new ATOM 1500 N ASN A 88 1.825 -1.382 4.288 1.00 0.00 N ATOM 1501 CA ASN A 88 2.179 -1.693 5.698 1.00 0.00 C ATOM 1502 C ASN A 88 3.487 -2.484 5.713 1.00 0.00 C ATOM 1503 O ASN A 88 4.263 -2.403 6.644 1.00 0.00 O ATOM 1504 CB ASN A 88 1.067 -2.528 6.335 1.00 0.00 C ATOM 1505 CG ASN A 88 1.379 -2.749 7.816 1.00 0.00 C ATOM 1506 OD1 ASN A 88 1.704 -3.847 8.223 1.00 0.00 O ATOM 1507 ND2 ASN A 88 1.293 -1.746 8.646 1.00 0.00 N ATOM 0 H ASN A 88 0.983 -1.841 3.942 1.00 0.00 H new ATOM 0 HA ASN A 88 2.297 -0.769 6.263 1.00 0.00 H new ATOM 0 HB2 ASN A 88 0.109 -2.020 6.226 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.979 -3.487 5.824 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.498 -1.884 9.636 1.00 0.00 H new ATOM 0 HD22 ASN A 88 1.020 -0.824 8.305 1.00 0.00 H new ATOM 1514 N ASN A 89 3.744 -3.242 4.678 1.00 0.00 N ATOM 1515 CA ASN A 89 5.002 -4.030 4.617 1.00 0.00 C ATOM 1516 C ASN A 89 6.122 -3.124 4.115 1.00 0.00 C ATOM 1517 O ASN A 89 7.228 -3.136 4.616 1.00 0.00 O ATOM 1518 CB ASN A 89 4.801 -5.172 3.632 1.00 0.00 C ATOM 1519 CG ASN A 89 6.027 -6.082 3.639 1.00 0.00 C ATOM 1520 OD1 ASN A 89 6.798 -6.079 4.578 1.00 0.00 O ATOM 1521 ND2 ASN A 89 6.242 -6.867 2.621 1.00 0.00 N ATOM 0 H ASN A 89 3.130 -3.347 3.870 1.00 0.00 H new ATOM 0 HA ASN A 89 5.259 -4.423 5.601 1.00 0.00 H new ATOM 0 HB2 ASN A 89 3.912 -5.743 3.899 1.00 0.00 H new ATOM 0 HB3 ASN A 89 4.636 -4.776 2.630 1.00 0.00 H new ATOM 0 HD21 ASN A 89 7.058 -7.479 2.612 1.00 0.00 H new ATOM 0 HD22 ASN A 89 5.594 -6.869 1.833 1.00 0.00 H new ATOM 1528 N ILE A 90 5.827 -2.339 3.120 1.00 0.00 N ATOM 1529 CA ILE A 90 6.844 -1.416 2.551 1.00 0.00 C ATOM 1530 C ILE A 90 7.153 -0.330 3.575 1.00 0.00 C ATOM 1531 O ILE A 90 8.285 -0.130 3.967 1.00 0.00 O ATOM 1532 CB ILE A 90 6.273 -0.783 1.282 1.00 0.00 C ATOM 1533 CG1 ILE A 90 5.885 -1.893 0.294 1.00 0.00 C ATOM 1534 CG2 ILE A 90 7.317 0.131 0.638 1.00 0.00 C ATOM 1535 CD1 ILE A 90 5.056 -1.327 -0.863 1.00 0.00 C ATOM 0 H ILE A 90 4.912 -2.297 2.671 1.00 0.00 H new ATOM 0 HA ILE A 90 7.759 -1.957 2.311 1.00 0.00 H new ATOM 0 HB ILE A 90 5.393 -0.193 1.538 1.00 0.00 H new ATOM 0 HG12 ILE A 90 6.784 -2.369 -0.096 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.315 -2.664 0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 90 6.902 0.578 -0.265 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.593 0.919 1.339 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.202 -0.452 0.381 1.00 0.00 H new ATOM 0 HD11 ILE A 90 4.793 -2.132 -1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 90 4.146 -0.873 -0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 90 5.638 -0.573 -1.393 1.00 0.00 H new ATOM 1547 N ARG A 91 6.145 0.361 4.025 1.00 0.00 N ATOM 1548 CA ARG A 91 6.357 1.428 5.043 1.00 0.00 C ATOM 1549 C ARG A 91 7.138 0.839 6.216 1.00 0.00 C ATOM 1550 O ARG A 91 7.910 1.510 6.873 1.00 0.00 O ATOM 1551 CB ARG A 91 4.992 1.916 5.542 1.00 0.00 C ATOM 1552 CG ARG A 91 5.166 3.166 6.417 1.00 0.00 C ATOM 1553 CD ARG A 91 3.877 3.426 7.201 1.00 0.00 C ATOM 1554 NE ARG A 91 3.937 4.778 7.825 1.00 0.00 N ATOM 1555 CZ ARG A 91 4.742 5.000 8.827 1.00 0.00 C ATOM 1556 NH1 ARG A 91 5.499 4.039 9.284 1.00 0.00 N ATOM 1557 NH2 ARG A 91 4.792 6.184 9.374 1.00 0.00 N ATOM 0 H ARG A 91 5.177 0.232 3.730 1.00 0.00 H new ATOM 0 HA ARG A 91 6.911 2.260 4.607 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.346 2.143 4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 91 4.502 1.128 6.114 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.000 3.028 7.105 1.00 0.00 H new ATOM 0 HG3 ARG A 91 5.405 4.028 5.794 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.015 3.359 6.537 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.747 2.665 7.970 1.00 0.00 H new ATOM 0 HE ARG A 91 3.348 5.530 7.468 1.00 0.00 H new ATOM 0 HH11 ARG A 91 5.461 3.113 8.857 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.128 4.214 10.068 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.202 6.936 9.018 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.421 6.358 10.158 1.00 0.00 H new ATOM 1571 N ASN A 92 6.920 -0.416 6.487 1.00 0.00 N ATOM 1572 CA ASN A 92 7.618 -1.082 7.625 1.00 0.00 C ATOM 1573 C ASN A 92 9.019 -1.530 7.204 1.00 0.00 C ATOM 1574 O ASN A 92 9.968 -1.392 7.951 1.00 0.00 O ATOM 1575 CB ASN A 92 6.809 -2.304 8.067 1.00 0.00 C ATOM 1576 CG ASN A 92 7.527 -3.005 9.222 1.00 0.00 C ATOM 1577 OD1 ASN A 92 7.962 -4.132 9.088 1.00 0.00 O ATOM 1578 ND2 ASN A 92 7.670 -2.381 10.360 1.00 0.00 N ATOM 0 H ASN A 92 6.282 -1.017 5.965 1.00 0.00 H new ATOM 0 HA ASN A 92 7.707 -0.373 8.448 1.00 0.00 H new ATOM 0 HB2 ASN A 92 5.810 -1.998 8.379 1.00 0.00 H new ATOM 0 HB3 ASN A 92 6.685 -2.992 7.231 1.00 0.00 H new ATOM 0 HD21 ASN A 92 8.147 -2.839 11.137 1.00 0.00 H new ATOM 0 HD22 ASN A 92 7.305 -1.435 10.472 1.00 0.00 H new ATOM 1585 N ARG A 93 9.166 -2.076 6.026 1.00 0.00 N ATOM 1586 CA ARG A 93 10.519 -2.535 5.596 1.00 0.00 C ATOM 1587 C ARG A 93 11.395 -1.322 5.268 1.00 0.00 C ATOM 1588 O ARG A 93 12.562 -1.282 5.601 1.00 0.00 O ATOM 1589 CB ARG A 93 10.389 -3.448 4.372 1.00 0.00 C ATOM 1590 CG ARG A 93 11.781 -3.976 3.952 1.00 0.00 C ATOM 1591 CD ARG A 93 11.629 -5.305 3.206 1.00 0.00 C ATOM 1592 NE ARG A 93 12.953 -5.733 2.668 1.00 0.00 N ATOM 1593 CZ ARG A 93 13.837 -6.282 3.459 1.00 0.00 C ATOM 1594 NH1 ARG A 93 13.562 -6.458 4.723 1.00 0.00 N ATOM 1595 NH2 ARG A 93 14.995 -6.655 2.985 1.00 0.00 N ATOM 0 H ARG A 93 8.417 -2.223 5.350 1.00 0.00 H new ATOM 0 HA ARG A 93 10.987 -3.097 6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.728 -4.284 4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.935 -2.900 3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.280 -3.246 3.315 1.00 0.00 H new ATOM 0 HG3 ARG A 93 12.409 -4.112 4.832 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.235 -6.067 3.878 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.912 -5.196 2.392 1.00 0.00 H new ATOM 0 HE ARG A 93 13.169 -5.597 1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.657 -6.167 5.093 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.252 -6.886 5.340 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.210 -6.518 1.997 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.685 -7.083 3.602 1.00 0.00 H new ATOM 1609 N TRP A 94 10.841 -0.327 4.634 1.00 0.00 N ATOM 1610 CA TRP A 94 11.640 0.885 4.306 1.00 0.00 C ATOM 1611 C TRP A 94 12.027 1.579 5.615 1.00 0.00 C ATOM 1612 O TRP A 94 13.130 2.060 5.772 1.00 0.00 O ATOM 1613 CB TRP A 94 10.798 1.830 3.436 1.00 0.00 C ATOM 1614 CG TRP A 94 11.492 3.151 3.282 1.00 0.00 C ATOM 1615 CD1 TRP A 94 11.196 4.268 3.988 1.00 0.00 C ATOM 1616 CD2 TRP A 94 12.585 3.511 2.388 1.00 0.00 C ATOM 1617 NE1 TRP A 94 12.037 5.289 3.583 1.00 0.00 N ATOM 1618 CE2 TRP A 94 12.911 4.872 2.599 1.00 0.00 C ATOM 1619 CE3 TRP A 94 13.318 2.796 1.424 1.00 0.00 C ATOM 1620 CZ2 TRP A 94 13.927 5.501 1.880 1.00 0.00 C ATOM 1621 CZ3 TRP A 94 14.343 3.427 0.697 1.00 0.00 C ATOM 1622 CH2 TRP A 94 14.646 4.777 0.925 1.00 0.00 C ATOM 0 H TRP A 94 9.868 -0.301 4.329 1.00 0.00 H new ATOM 0 HA TRP A 94 12.540 0.610 3.756 1.00 0.00 H new ATOM 0 HB2 TRP A 94 10.632 1.382 2.456 1.00 0.00 H new ATOM 0 HB3 TRP A 94 9.818 1.977 3.890 1.00 0.00 H new ATOM 0 HD1 TRP A 94 10.429 4.349 4.744 1.00 0.00 H new ATOM 0 HE1 TRP A 94 12.014 6.235 3.965 1.00 0.00 H new ATOM 0 HE3 TRP A 94 13.092 1.756 1.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 14.157 6.541 2.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 14.900 2.869 -0.041 1.00 0.00 H new ATOM 0 HH2 TRP A 94 15.434 5.257 0.363 1.00 0.00 H new ATOM 1633 N MET A 95 11.125 1.627 6.557 1.00 0.00 N ATOM 1634 CA MET A 95 11.440 2.281 7.857 1.00 0.00 C ATOM 1635 C MET A 95 12.415 1.398 8.637 1.00 0.00 C ATOM 1636 O MET A 95 13.168 1.870 9.465 1.00 0.00 O ATOM 1637 CB MET A 95 10.153 2.461 8.664 1.00 0.00 C ATOM 1638 CG MET A 95 10.459 3.235 9.948 1.00 0.00 C ATOM 1639 SD MET A 95 8.912 3.621 10.803 1.00 0.00 S ATOM 1640 CE MET A 95 9.648 4.400 12.261 1.00 0.00 C ATOM 0 H MET A 95 10.184 1.241 6.482 1.00 0.00 H new ATOM 0 HA MET A 95 11.891 3.257 7.678 1.00 0.00 H new ATOM 0 HB2 MET A 95 9.412 2.997 8.071 1.00 0.00 H new ATOM 0 HB3 MET A 95 9.724 1.489 8.906 1.00 0.00 H new ATOM 0 HG2 MET A 95 11.107 2.644 10.595 1.00 0.00 H new ATOM 0 HG3 MET A 95 10.996 4.154 9.712 1.00 0.00 H new ATOM 0 HE1 MET A 95 8.858 4.722 12.939 1.00 0.00 H new ATOM 0 HE2 MET A 95 10.293 3.684 12.769 1.00 0.00 H new ATOM 0 HE3 MET A 95 10.237 5.264 11.954 1.00 0.00 H new ATOM 1650 N MET A 96 12.414 0.119 8.369 1.00 0.00 N ATOM 1651 CA MET A 96 13.345 -0.799 9.081 1.00 0.00 C ATOM 1652 C MET A 96 14.719 -0.697 8.427 1.00 0.00 C ATOM 1653 O MET A 96 15.740 -0.725 9.087 1.00 0.00 O ATOM 1654 CB MET A 96 12.827 -2.236 8.974 1.00 0.00 C ATOM 1655 CG MET A 96 13.627 -3.144 9.912 1.00 0.00 C ATOM 1656 SD MET A 96 13.187 -2.774 11.629 1.00 0.00 S ATOM 1657 CE MET A 96 13.769 -4.328 12.352 1.00 0.00 C ATOM 0 H MET A 96 11.805 -0.329 7.684 1.00 0.00 H new ATOM 0 HA MET A 96 13.413 -0.524 10.134 1.00 0.00 H new ATOM 0 HB2 MET A 96 11.769 -2.272 9.233 1.00 0.00 H new ATOM 0 HB3 MET A 96 12.916 -2.589 7.947 1.00 0.00 H new ATOM 0 HG2 MET A 96 13.418 -4.190 9.689 1.00 0.00 H new ATOM 0 HG3 MET A 96 14.695 -2.993 9.758 1.00 0.00 H new ATOM 0 HE1 MET A 96 13.593 -4.317 13.428 1.00 0.00 H new ATOM 0 HE2 MET A 96 13.229 -5.162 11.904 1.00 0.00 H new ATOM 0 HE3 MET A 96 14.836 -4.441 12.160 1.00 0.00 H new ATOM 1667 N ILE A 97 14.751 -0.572 7.126 1.00 0.00 N ATOM 1668 CA ILE A 97 16.053 -0.459 6.413 1.00 0.00 C ATOM 1669 C ILE A 97 16.509 0.998 6.438 1.00 0.00 C ATOM 1670 O ILE A 97 17.687 1.291 6.455 1.00 0.00 O ATOM 1671 CB ILE A 97 15.889 -0.914 4.960 1.00 0.00 C ATOM 1672 CG1 ILE A 97 15.440 -2.379 4.933 1.00 0.00 C ATOM 1673 CG2 ILE A 97 17.227 -0.775 4.227 1.00 0.00 C ATOM 1674 CD1 ILE A 97 15.019 -2.763 3.512 1.00 0.00 C ATOM 0 H ILE A 97 13.927 -0.543 6.526 1.00 0.00 H new ATOM 0 HA ILE A 97 16.794 -1.089 6.905 1.00 0.00 H new ATOM 0 HB ILE A 97 15.140 -0.295 4.467 1.00 0.00 H new ATOM 0 HG12 ILE A 97 16.251 -3.024 5.269 1.00 0.00 H new ATOM 0 HG13 ILE A 97 14.608 -2.527 5.622 1.00 0.00 H new ATOM 0 HG21 ILE A 97 17.111 -1.099 3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 97 17.546 0.267 4.247 1.00 0.00 H new ATOM 0 HG23 ILE A 97 17.977 -1.394 4.719 1.00 0.00 H new ATOM 0 HD11 ILE A 97 14.700 -3.805 3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 97 14.194 -2.126 3.192 1.00 0.00 H new ATOM 0 HD13 ILE A 97 15.863 -2.631 2.834 1.00 0.00 H new ATOM 1686 N ALA A 98 15.581 1.916 6.443 1.00 0.00 N ATOM 1687 CA ALA A 98 15.962 3.355 6.469 1.00 0.00 C ATOM 1688 C ALA A 98 16.439 3.716 7.873 1.00 0.00 C ATOM 1689 O ALA A 98 17.093 4.720 8.080 1.00 0.00 O ATOM 1690 CB ALA A 98 14.752 4.216 6.103 1.00 0.00 C ATOM 0 H ALA A 98 14.578 1.731 6.430 1.00 0.00 H new ATOM 0 HA ALA A 98 16.760 3.536 5.749 1.00 0.00 H new ATOM 0 HB1 ALA A 98 15.035 5.268 6.123 1.00 0.00 H new ATOM 0 HB2 ALA A 98 14.407 3.952 5.103 1.00 0.00 H new ATOM 0 HB3 ALA A 98 13.951 4.042 6.821 1.00 0.00 H new ATOM 1696 N ARG A 99 16.121 2.901 8.840 1.00 0.00 N ATOM 1697 CA ARG A 99 16.558 3.187 10.229 1.00 0.00 C ATOM 1698 C ARG A 99 18.052 2.902 10.340 1.00 0.00 C ATOM 1699 O ARG A 99 18.727 3.391 11.224 1.00 0.00 O ATOM 1700 CB ARG A 99 15.789 2.293 11.206 1.00 0.00 C ATOM 1701 CG ARG A 99 16.281 2.548 12.634 1.00 0.00 C ATOM 1702 CD ARG A 99 15.339 1.867 13.629 1.00 0.00 C ATOM 1703 NE ARG A 99 15.816 2.121 15.018 1.00 0.00 N ATOM 1704 CZ ARG A 99 16.883 1.514 15.463 1.00 0.00 C ATOM 1705 NH1 ARG A 99 17.533 0.685 14.693 1.00 0.00 N ATOM 1706 NH2 ARG A 99 17.299 1.737 16.679 1.00 0.00 N ATOM 0 H ARG A 99 15.575 2.047 8.725 1.00 0.00 H new ATOM 0 HA ARG A 99 16.360 4.231 10.473 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.720 2.497 11.137 1.00 0.00 H new ATOM 0 HB3 ARG A 99 15.931 1.245 10.944 1.00 0.00 H new ATOM 0 HG2 ARG A 99 17.294 2.164 12.755 1.00 0.00 H new ATOM 0 HG3 ARG A 99 16.321 3.619 12.830 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.325 2.248 13.506 1.00 0.00 H new ATOM 0 HD3 ARG A 99 15.302 0.795 13.436 1.00 0.00 H new ATOM 0 HE ARG A 99 15.309 2.769 15.621 1.00 0.00 H new ATOM 0 HH11 ARG A 99 17.208 0.510 13.742 1.00 0.00 H new ATOM 0 HH12 ARG A 99 18.366 0.212 15.042 1.00 0.00 H new ATOM 0 HH21 ARG A 99 16.791 2.385 17.281 1.00 0.00 H new ATOM 0 HH22 ARG A 99 18.132 1.263 17.028 1.00 0.00 H new