USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 74 GLN : amide:sc= -2.71! C(o=-2.5!,f=-2.3!) USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0.223 USER MOD Set 2.1: A 34 GLN : amide:sc= -0.125 K(o=0.24,f=-7.6!) USER MOD Set 2.2: A 38 ASN : amide:sc= -0.55 K(o=0.24,f=-3.2!) USER MOD Set 2.3: A 48 LYS NZ :NH3+ -162:sc= 0.915 (180deg=-0.497) USER MOD Set 3.1: A 8 GLN : amide:sc= 0.895 K(o=2.1,f=-3) USER MOD Set 3.2: A 12 LYS NZ :NH3+ -155:sc= 1.19 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 153:sc= 1.17 (180deg=0.343) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0.0179 USER MOD Single : A 14 MET CE :methyl -140:sc= -0.732 (180deg=-0.891) USER MOD Single : A 21 HIS : no HE2:sc= 0.94 K(o=0.94,f=-6.8!) USER MOD Single : A 27 HIS : no HD1:sc= -0.149 K(o=-0.15,f=-4!) USER MOD Single : A 28 LYS NZ :NH3+ 156:sc= 1.13 (180deg=1.03) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 70:sc= 0.615 USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= 2.15 (180deg=1.97) USER MOD Single : A 57 GLN : amide:sc= -0.512 X(o=-0.51,f=-0.17) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 83:sc= 0.0546 USER MOD Single : A 63 ASN : amide:sc= 1.27 K(o=1.3,f=-0.035) USER MOD Single : A 72 SER OG : rot 96:sc= 1.09 USER MOD Single : A 80 SER OG : rot 180:sc= 0.0803 USER MOD Single : A 82 TYR OH : rot 126:sc= 0.48 USER MOD ----------------------------------------------------------------- ATOM 10 N ILE A 3 -8.736 6.538 -3.099 1.00 0.00 N ATOM 11 CA ILE A 3 -7.269 6.347 -3.172 1.00 0.00 C ATOM 12 C ILE A 3 -6.659 6.990 -4.462 1.00 0.00 C ATOM 13 O ILE A 3 -5.626 7.650 -4.414 1.00 0.00 O ATOM 14 CB ILE A 3 -6.813 4.831 -2.962 1.00 0.00 C ATOM 15 CG1 ILE A 3 -5.547 4.749 -2.099 1.00 0.00 C ATOM 16 CG2 ILE A 3 -6.569 4.086 -4.278 1.00 0.00 C ATOM 17 CD1 ILE A 3 -5.744 5.209 -0.664 1.00 0.00 C ATOM 0 HA ILE A 3 -6.853 6.888 -2.322 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.644 4.344 -2.453 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -5.190 3.719 -2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.766 5.354 -2.560 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.262 3.062 -4.065 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.487 4.075 -4.865 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.784 4.590 -4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.803 5.120 -0.121 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.070 6.249 -0.657 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.500 4.588 -0.184 1.00 0.00 H new ATOM 29 N LYS A 4 -7.407 6.878 -5.549 1.00 0.00 N ATOM 30 CA LYS A 4 -7.097 7.303 -6.928 1.00 0.00 C ATOM 31 C LYS A 4 -6.925 8.831 -7.128 1.00 0.00 C ATOM 32 O LYS A 4 -6.978 9.315 -8.262 1.00 0.00 O ATOM 33 CB LYS A 4 -8.246 6.808 -7.813 1.00 0.00 C ATOM 34 CG LYS A 4 -9.605 7.343 -7.372 1.00 0.00 C ATOM 35 CD LYS A 4 -10.754 6.702 -8.117 1.00 0.00 C ATOM 36 CE LYS A 4 -12.082 7.203 -7.568 1.00 0.00 C ATOM 37 NZ LYS A 4 -13.233 6.509 -8.167 1.00 0.00 N ATOM 0 H LYS A 4 -8.332 6.451 -5.496 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.128 6.876 -7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.060 7.108 -8.844 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.267 5.718 -7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.729 7.171 -6.303 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.634 8.422 -7.526 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.681 6.933 -9.180 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.699 5.618 -8.022 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.100 7.065 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.169 8.273 -7.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.030 6.519 -7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -13.511 6.992 -9.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.972 5.525 -8.380 1.00 0.00 H new ATOM 51 N GLN A 5 -6.701 9.568 -6.081 1.00 0.00 N ATOM 52 CA GLN A 5 -6.521 11.011 -6.206 1.00 0.00 C ATOM 53 C GLN A 5 -5.495 11.541 -5.221 1.00 0.00 C ATOM 54 O GLN A 5 -5.152 12.721 -5.247 1.00 0.00 O ATOM 55 CB GLN A 5 -7.841 11.753 -6.007 1.00 0.00 C ATOM 56 CG GLN A 5 -8.557 11.407 -4.712 1.00 0.00 C ATOM 57 CD GLN A 5 -9.624 12.410 -4.363 1.00 0.00 C ATOM 58 OE1 GLN A 5 -9.364 13.385 -3.674 1.00 0.00 O ATOM 59 NE2 GLN A 5 -10.806 12.191 -4.827 1.00 0.00 N ATOM 0 H GLN A 5 -6.636 9.210 -5.128 1.00 0.00 H new ATOM 0 HA GLN A 5 -6.157 11.191 -7.217 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -7.649 12.826 -6.028 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.501 11.530 -6.845 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.006 10.418 -4.801 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -7.831 11.355 -3.901 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.985 11.366 -5.399 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -11.563 12.843 -4.622 1.00 0.00 H new ATOM 68 N TYR A 6 -4.994 10.684 -4.369 1.00 0.00 N ATOM 69 CA TYR A 6 -4.092 11.144 -3.328 1.00 0.00 C ATOM 70 C TYR A 6 -2.661 11.250 -3.808 1.00 0.00 C ATOM 71 O TYR A 6 -2.278 10.632 -4.806 1.00 0.00 O ATOM 72 CB TYR A 6 -4.185 10.266 -2.095 1.00 0.00 C ATOM 73 CG TYR A 6 -5.577 10.189 -1.513 1.00 0.00 C ATOM 74 CD1 TYR A 6 -6.336 11.334 -1.300 1.00 0.00 C ATOM 75 CD2 TYR A 6 -6.125 8.974 -1.168 1.00 0.00 C ATOM 76 CE1 TYR A 6 -7.601 11.257 -0.768 1.00 0.00 C ATOM 77 CE2 TYR A 6 -7.392 8.889 -0.635 1.00 0.00 C ATOM 78 CZ TYR A 6 -8.123 10.035 -0.438 1.00 0.00 C ATOM 79 OH TYR A 6 -9.388 9.954 0.091 1.00 0.00 O ATOM 0 H TYR A 6 -5.186 9.682 -4.368 1.00 0.00 H new ATOM 0 HA TYR A 6 -4.413 12.150 -3.059 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.850 9.260 -2.349 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.503 10.647 -1.335 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -5.925 12.299 -1.557 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.551 8.072 -1.318 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.180 12.155 -0.611 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.808 7.927 -0.374 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.609 9.016 0.269 1.00 0.00 H new ATOM 89 N SER A 7 -1.893 12.049 -3.113 1.00 0.00 N ATOM 90 CA SER A 7 -0.507 12.259 -3.412 1.00 0.00 C ATOM 91 C SER A 7 0.376 11.395 -2.514 1.00 0.00 C ATOM 92 O SER A 7 -0.143 10.622 -1.678 1.00 0.00 O ATOM 93 CB SER A 7 -0.199 13.752 -3.294 1.00 0.00 C ATOM 94 OG SER A 7 -0.686 14.280 -2.063 1.00 0.00 O ATOM 0 H SER A 7 -2.224 12.581 -2.308 1.00 0.00 H new ATOM 0 HA SER A 7 -0.288 11.950 -4.434 1.00 0.00 H new ATOM 0 HB2 SER A 7 0.877 13.911 -3.361 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.653 14.287 -4.128 1.00 0.00 H new ATOM 0 HG SER A 7 -0.475 15.236 -2.011 1.00 0.00 H new ATOM 100 N GLN A 8 1.688 11.529 -2.677 1.00 0.00 N ATOM 101 CA GLN A 8 2.660 10.690 -2.001 1.00 0.00 C ATOM 102 C GLN A 8 2.504 10.720 -0.502 1.00 0.00 C ATOM 103 O GLN A 8 2.358 9.667 0.119 1.00 0.00 O ATOM 104 CB GLN A 8 4.073 11.129 -2.314 1.00 0.00 C ATOM 105 CG GLN A 8 5.080 10.114 -1.847 1.00 0.00 C ATOM 106 CD GLN A 8 6.507 10.610 -1.884 1.00 0.00 C ATOM 107 OE1 GLN A 8 7.033 11.108 -0.891 1.00 0.00 O ATOM 108 NE2 GLN A 8 7.126 10.524 -3.022 1.00 0.00 N ATOM 0 H GLN A 8 2.106 12.230 -3.288 1.00 0.00 H new ATOM 0 HA GLN A 8 2.477 9.680 -2.367 1.00 0.00 H new ATOM 0 HB2 GLN A 8 4.179 11.281 -3.388 1.00 0.00 H new ATOM 0 HB3 GLN A 8 4.272 12.088 -1.835 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.835 9.815 -0.828 1.00 0.00 H new ATOM 0 HG3 GLN A 8 4.999 9.222 -2.469 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.659 10.105 -3.826 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.079 10.876 -3.112 1.00 0.00 H new ATOM 117 N GLU A 9 2.481 11.934 0.051 1.00 0.00 N ATOM 118 CA GLU A 9 2.455 12.168 1.495 1.00 0.00 C ATOM 119 C GLU A 9 1.359 11.374 2.156 1.00 0.00 C ATOM 120 O GLU A 9 1.587 10.685 3.124 1.00 0.00 O ATOM 121 CB GLU A 9 2.289 13.680 1.805 1.00 0.00 C ATOM 122 CG GLU A 9 0.984 14.293 1.292 1.00 0.00 C ATOM 123 CD GLU A 9 0.814 15.734 1.654 1.00 0.00 C ATOM 124 OE1 GLU A 9 0.648 16.044 2.850 1.00 0.00 O ATOM 125 OE2 GLU A 9 0.817 16.583 0.747 1.00 0.00 O ATOM 0 H GLU A 9 2.480 12.793 -0.499 1.00 0.00 H new ATOM 0 HA GLU A 9 3.409 11.833 1.902 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.344 13.825 2.884 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.127 14.222 1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 9 0.948 14.193 0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.144 13.725 1.692 1.00 0.00 H new ATOM 132 N GLU A 10 0.224 11.387 1.519 1.00 0.00 N ATOM 133 CA GLU A 10 -0.986 10.824 2.016 1.00 0.00 C ATOM 134 C GLU A 10 -0.824 9.333 2.264 1.00 0.00 C ATOM 135 O GLU A 10 -1.054 8.838 3.357 1.00 0.00 O ATOM 136 CB GLU A 10 -2.061 11.065 0.959 1.00 0.00 C ATOM 137 CG GLU A 10 -3.468 10.789 1.435 1.00 0.00 C ATOM 138 CD GLU A 10 -3.890 11.776 2.492 1.00 0.00 C ATOM 139 OE1 GLU A 10 -3.579 11.580 3.667 1.00 0.00 O ATOM 140 OE2 GLU A 10 -4.537 12.790 2.152 1.00 0.00 O ATOM 0 H GLU A 10 0.118 11.811 0.597 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.258 11.286 2.965 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.999 12.100 0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.852 10.436 0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.156 10.839 0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.527 9.777 1.835 1.00 0.00 H new ATOM 147 N LEU A 11 -0.398 8.645 1.251 1.00 0.00 N ATOM 148 CA LEU A 11 -0.263 7.216 1.303 1.00 0.00 C ATOM 149 C LEU A 11 0.911 6.819 2.163 1.00 0.00 C ATOM 150 O LEU A 11 0.850 5.861 2.932 1.00 0.00 O ATOM 151 CB LEU A 11 -0.038 6.691 -0.088 1.00 0.00 C ATOM 152 CG LEU A 11 -1.052 7.091 -1.136 1.00 0.00 C ATOM 153 CD1 LEU A 11 -0.656 6.491 -2.443 1.00 0.00 C ATOM 154 CD2 LEU A 11 -2.451 6.658 -0.745 1.00 0.00 C ATOM 0 H LEU A 11 -0.131 9.058 0.357 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.174 6.798 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.945 7.022 -0.422 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.009 5.602 -0.040 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.067 8.178 -1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.380 6.773 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 11 0.331 6.856 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.629 5.405 -2.352 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.155 6.961 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.478 5.574 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.726 7.127 0.199 1.00 0.00 H new ATOM 166 N LYS A 12 1.955 7.597 2.040 1.00 0.00 N ATOM 167 CA LYS A 12 3.245 7.304 2.603 1.00 0.00 C ATOM 168 C LYS A 12 3.204 7.219 4.118 1.00 0.00 C ATOM 169 O LYS A 12 3.891 6.388 4.716 1.00 0.00 O ATOM 170 CB LYS A 12 4.219 8.377 2.167 1.00 0.00 C ATOM 171 CG LYS A 12 5.632 7.905 2.032 1.00 0.00 C ATOM 172 CD LYS A 12 6.520 9.025 1.573 1.00 0.00 C ATOM 173 CE LYS A 12 7.931 8.550 1.332 1.00 0.00 C ATOM 174 NZ LYS A 12 8.760 9.622 0.784 1.00 0.00 N ATOM 0 H LYS A 12 1.929 8.479 1.529 1.00 0.00 H new ATOM 0 HA LYS A 12 3.565 6.327 2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.890 8.783 1.210 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.188 9.194 2.888 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.986 7.521 2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 12 5.680 7.081 1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.119 9.456 0.656 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.525 9.817 2.322 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.363 8.194 2.267 1.00 0.00 H new ATOM 0 HE3 LYS A 12 7.921 7.705 0.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.549 9.210 0.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 8.185 10.218 0.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 9.136 10.202 1.561 1.00 0.00 H new ATOM 188 N GLU A 13 2.394 8.043 4.729 1.00 0.00 N ATOM 189 CA GLU A 13 2.319 8.070 6.163 1.00 0.00 C ATOM 190 C GLU A 13 1.151 7.270 6.734 1.00 0.00 C ATOM 191 O GLU A 13 0.958 7.229 7.951 1.00 0.00 O ATOM 192 CB GLU A 13 2.420 9.498 6.699 1.00 0.00 C ATOM 193 CG GLU A 13 1.509 10.508 6.065 1.00 0.00 C ATOM 194 CD GLU A 13 1.968 11.905 6.364 1.00 0.00 C ATOM 195 OE1 GLU A 13 2.923 12.385 5.705 1.00 0.00 O ATOM 196 OE2 GLU A 13 1.442 12.529 7.288 1.00 0.00 O ATOM 0 H GLU A 13 1.778 8.703 4.255 1.00 0.00 H new ATOM 0 HA GLU A 13 3.196 7.540 6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.217 9.478 7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 13 3.448 9.839 6.576 1.00 0.00 H new ATOM 0 HG2 GLU A 13 1.482 10.353 4.986 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.492 10.368 6.433 1.00 0.00 H new ATOM 203 N MET A 14 0.420 6.586 5.870 1.00 0.00 N ATOM 204 CA MET A 14 -0.658 5.717 6.314 1.00 0.00 C ATOM 205 C MET A 14 -0.229 4.258 6.191 1.00 0.00 C ATOM 206 O MET A 14 0.842 3.955 5.626 1.00 0.00 O ATOM 207 CB MET A 14 -1.972 5.950 5.542 1.00 0.00 C ATOM 208 CG MET A 14 -2.602 7.323 5.751 1.00 0.00 C ATOM 209 SD MET A 14 -4.249 7.475 4.985 1.00 0.00 S ATOM 210 CE MET A 14 -3.875 7.146 3.261 1.00 0.00 C ATOM 0 H MET A 14 0.552 6.615 4.859 1.00 0.00 H new ATOM 0 HA MET A 14 -0.858 5.961 7.357 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.781 5.812 4.478 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.691 5.187 5.839 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.685 7.520 6.820 1.00 0.00 H new ATOM 0 HG3 MET A 14 -1.943 8.086 5.337 1.00 0.00 H new ATOM 0 HE1 MET A 14 -4.453 7.820 2.628 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.811 7.304 3.083 1.00 0.00 H new ATOM 0 HE3 MET A 14 -4.134 6.114 3.023 1.00 0.00 H new ATOM 220 N ALA A 15 -1.054 3.363 6.696 1.00 0.00 N ATOM 221 CA ALA A 15 -0.749 1.953 6.687 1.00 0.00 C ATOM 222 C ALA A 15 -0.865 1.388 5.280 1.00 0.00 C ATOM 223 O ALA A 15 -1.865 1.606 4.585 1.00 0.00 O ATOM 224 CB ALA A 15 -1.664 1.233 7.641 1.00 0.00 C ATOM 0 H ALA A 15 -1.951 3.595 7.122 1.00 0.00 H new ATOM 0 HA ALA A 15 0.280 1.806 7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.433 0.168 7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.524 1.627 8.647 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.699 1.382 7.334 1.00 0.00 H new ATOM 230 N LEU A 16 0.133 0.639 4.886 1.00 0.00 N ATOM 231 CA LEU A 16 0.238 0.122 3.542 1.00 0.00 C ATOM 232 C LEU A 16 -0.838 -0.909 3.191 1.00 0.00 C ATOM 233 O LEU A 16 -1.357 -0.899 2.067 1.00 0.00 O ATOM 234 CB LEU A 16 1.683 -0.330 3.148 1.00 0.00 C ATOM 235 CG LEU A 16 2.437 -1.371 4.029 1.00 0.00 C ATOM 236 CD1 LEU A 16 3.656 -1.868 3.282 1.00 0.00 C ATOM 237 CD2 LEU A 16 2.924 -0.760 5.342 1.00 0.00 C ATOM 0 H LEU A 16 0.905 0.367 5.495 1.00 0.00 H new ATOM 0 HA LEU A 16 0.028 0.980 2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.632 -0.735 2.137 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.302 0.566 3.102 1.00 0.00 H new ATOM 0 HG LEU A 16 1.738 -2.178 4.247 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.186 -2.597 3.895 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.345 -2.337 2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.316 -1.029 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.444 -1.519 5.926 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.605 0.064 5.129 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.071 -0.388 5.909 1.00 0.00 H new ATOM 249 N VAL A 17 -1.216 -1.754 4.142 1.00 0.00 N ATOM 250 CA VAL A 17 -2.283 -2.724 3.895 1.00 0.00 C ATOM 251 C VAL A 17 -3.627 -1.992 3.759 1.00 0.00 C ATOM 252 O VAL A 17 -4.526 -2.426 3.034 1.00 0.00 O ATOM 253 CB VAL A 17 -2.372 -3.837 5.001 1.00 0.00 C ATOM 254 CG1 VAL A 17 -2.846 -3.294 6.348 1.00 0.00 C ATOM 255 CG2 VAL A 17 -3.242 -5.002 4.546 1.00 0.00 C ATOM 0 H VAL A 17 -0.810 -1.791 5.077 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.043 -3.236 2.963 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.357 -4.205 5.150 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.888 -4.107 7.073 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.150 -2.531 6.698 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.838 -2.856 6.235 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.283 -5.755 5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.249 -4.643 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.817 -5.443 3.644 1.00 0.00 H new ATOM 265 N GLU A 18 -3.732 -0.841 4.410 1.00 0.00 N ATOM 266 CA GLU A 18 -4.945 -0.069 4.363 1.00 0.00 C ATOM 267 C GLU A 18 -5.049 0.678 3.053 1.00 0.00 C ATOM 268 O GLU A 18 -6.132 0.811 2.511 1.00 0.00 O ATOM 269 CB GLU A 18 -5.080 0.842 5.573 1.00 0.00 C ATOM 270 CG GLU A 18 -4.977 0.060 6.865 1.00 0.00 C ATOM 271 CD GLU A 18 -5.374 0.829 8.087 1.00 0.00 C ATOM 272 OE1 GLU A 18 -4.614 1.681 8.550 1.00 0.00 O ATOM 273 OE2 GLU A 18 -6.425 0.519 8.643 1.00 0.00 O ATOM 0 H GLU A 18 -2.987 -0.430 4.973 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.790 -0.755 4.410 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.302 1.605 5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.038 1.361 5.535 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.605 -0.828 6.789 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.950 -0.285 6.986 1.00 0.00 H new ATOM 280 N ILE A 19 -3.901 1.115 2.519 1.00 0.00 N ATOM 281 CA ILE A 19 -3.849 1.735 1.184 1.00 0.00 C ATOM 282 C ILE A 19 -4.419 0.743 0.172 1.00 0.00 C ATOM 283 O ILE A 19 -5.267 1.082 -0.659 1.00 0.00 O ATOM 284 CB ILE A 19 -2.389 2.063 0.753 1.00 0.00 C ATOM 285 CG1 ILE A 19 -1.708 3.004 1.747 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.365 2.671 -0.654 1.00 0.00 C ATOM 287 CD1 ILE A 19 -0.242 3.243 1.442 1.00 0.00 C ATOM 0 H ILE A 19 -2.997 1.052 2.987 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.420 2.663 1.220 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.832 1.126 0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.232 3.960 1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.800 2.589 2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.336 2.893 -0.937 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.792 1.962 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.950 3.590 -0.663 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.179 3.919 2.186 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.295 2.295 1.469 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.144 3.687 0.451 1.00 0.00 H new ATOM 299 N ALA A 20 -3.952 -0.494 0.283 1.00 0.00 N ATOM 300 CA ALA A 20 -4.403 -1.573 -0.562 1.00 0.00 C ATOM 301 C ALA A 20 -5.887 -1.832 -0.339 1.00 0.00 C ATOM 302 O ALA A 20 -6.633 -1.987 -1.286 1.00 0.00 O ATOM 303 CB ALA A 20 -3.588 -2.824 -0.302 1.00 0.00 C ATOM 0 H ALA A 20 -3.247 -0.770 0.967 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.260 -1.287 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.941 -3.629 -0.947 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.537 -2.624 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.699 -3.120 0.741 1.00 0.00 H new ATOM 309 N HIS A 21 -6.309 -1.845 0.923 1.00 0.00 N ATOM 310 CA HIS A 21 -7.717 -2.027 1.274 1.00 0.00 C ATOM 311 C HIS A 21 -8.602 -1.014 0.540 1.00 0.00 C ATOM 312 O HIS A 21 -9.593 -1.404 -0.067 1.00 0.00 O ATOM 313 CB HIS A 21 -7.915 -1.900 2.796 1.00 0.00 C ATOM 314 CG HIS A 21 -9.356 -1.964 3.262 1.00 0.00 C ATOM 315 ND1 HIS A 21 -10.132 -0.850 3.449 1.00 0.00 N ATOM 316 CD2 HIS A 21 -10.149 -3.015 3.563 1.00 0.00 C ATOM 317 CE1 HIS A 21 -11.328 -1.199 3.835 1.00 0.00 C ATOM 318 NE2 HIS A 21 -11.367 -2.509 3.913 1.00 0.00 N ATOM 0 H HIS A 21 -5.691 -1.731 1.726 1.00 0.00 H new ATOM 0 HA HIS A 21 -8.013 -3.029 0.963 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.354 -2.695 3.288 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.484 -0.955 3.126 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -9.820 0.111 3.307 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -9.872 -4.058 3.532 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.145 -0.527 4.053 1.00 0.00 H new ATOM 327 N GLU A 22 -8.221 0.259 0.575 1.00 0.00 N ATOM 328 CA GLU A 22 -9.001 1.314 -0.080 1.00 0.00 C ATOM 329 C GLU A 22 -9.020 1.084 -1.588 1.00 0.00 C ATOM 330 O GLU A 22 -10.035 1.224 -2.235 1.00 0.00 O ATOM 331 CB GLU A 22 -8.419 2.705 0.201 1.00 0.00 C ATOM 332 CG GLU A 22 -8.168 3.028 1.679 1.00 0.00 C ATOM 333 CD GLU A 22 -9.325 2.685 2.598 1.00 0.00 C ATOM 334 OE1 GLU A 22 -10.209 3.521 2.829 1.00 0.00 O ATOM 335 OE2 GLU A 22 -9.340 1.559 3.135 1.00 0.00 O ATOM 0 H GLU A 22 -7.379 0.589 1.048 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.013 1.273 0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.477 2.802 -0.339 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.099 3.453 -0.206 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.282 2.487 2.012 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.947 4.091 1.774 1.00 0.00 H new ATOM 342 N LEU A 23 -7.880 0.695 -2.114 1.00 0.00 N ATOM 343 CA LEU A 23 -7.702 0.416 -3.533 1.00 0.00 C ATOM 344 C LEU A 23 -8.655 -0.697 -4.005 1.00 0.00 C ATOM 345 O LEU A 23 -9.321 -0.580 -5.047 1.00 0.00 O ATOM 346 CB LEU A 23 -6.247 0.021 -3.754 1.00 0.00 C ATOM 347 CG LEU A 23 -5.794 -0.311 -5.167 1.00 0.00 C ATOM 348 CD1 LEU A 23 -6.042 0.857 -6.105 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.329 -0.630 -5.116 1.00 0.00 C ATOM 0 H LEU A 23 -7.032 0.559 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.942 1.303 -4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.623 0.836 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.039 -0.846 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.360 -1.162 -5.546 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.709 0.594 -7.109 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.107 1.088 -6.124 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.488 1.728 -5.756 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.974 -0.873 -6.118 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.782 0.233 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.165 -1.482 -4.457 1.00 0.00 H new ATOM 361 N PHE A 24 -8.741 -1.752 -3.233 1.00 0.00 N ATOM 362 CA PHE A 24 -9.631 -2.851 -3.551 1.00 0.00 C ATOM 363 C PHE A 24 -11.072 -2.471 -3.333 1.00 0.00 C ATOM 364 O PHE A 24 -11.932 -2.834 -4.126 1.00 0.00 O ATOM 365 CB PHE A 24 -9.281 -4.106 -2.771 1.00 0.00 C ATOM 366 CG PHE A 24 -8.063 -4.795 -3.280 1.00 0.00 C ATOM 367 CD1 PHE A 24 -6.809 -4.298 -3.029 1.00 0.00 C ATOM 368 CD2 PHE A 24 -8.181 -5.939 -4.022 1.00 0.00 C ATOM 369 CE1 PHE A 24 -5.693 -4.929 -3.509 1.00 0.00 C ATOM 370 CE2 PHE A 24 -7.073 -6.574 -4.506 1.00 0.00 C ATOM 371 CZ PHE A 24 -5.831 -6.075 -4.252 1.00 0.00 C ATOM 0 H PHE A 24 -8.204 -1.877 -2.375 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.496 -3.073 -4.610 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.131 -3.844 -1.724 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.124 -4.796 -2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.701 -3.396 -2.445 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.161 -6.344 -4.227 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.711 -4.528 -3.305 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.182 -7.475 -5.092 1.00 0.00 H new ATOM 0 HZ PHE A 24 -4.956 -6.580 -4.635 1.00 0.00 H new ATOM 381 N GLU A 25 -11.322 -1.699 -2.294 1.00 0.00 N ATOM 382 CA GLU A 25 -12.664 -1.249 -1.965 1.00 0.00 C ATOM 383 C GLU A 25 -13.169 -0.309 -3.082 1.00 0.00 C ATOM 384 O GLU A 25 -14.358 -0.210 -3.348 1.00 0.00 O ATOM 385 CB GLU A 25 -12.646 -0.530 -0.605 1.00 0.00 C ATOM 386 CG GLU A 25 -14.004 -0.394 0.051 1.00 0.00 C ATOM 387 CD GLU A 25 -14.609 -1.741 0.390 1.00 0.00 C ATOM 388 OE1 GLU A 25 -15.240 -2.357 -0.489 1.00 0.00 O ATOM 389 OE2 GLU A 25 -14.474 -2.202 1.538 1.00 0.00 O ATOM 0 H GLU A 25 -10.602 -1.365 -1.653 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.340 -2.101 -1.892 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -11.983 -1.072 0.070 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -12.220 0.464 -0.739 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -13.909 0.200 0.960 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -14.676 0.148 -0.615 1.00 0.00 H new ATOM 396 N GLU A 26 -12.236 0.398 -3.698 1.00 0.00 N ATOM 397 CA GLU A 26 -12.489 1.254 -4.851 1.00 0.00 C ATOM 398 C GLU A 26 -12.946 0.432 -6.046 1.00 0.00 C ATOM 399 O GLU A 26 -13.992 0.700 -6.629 1.00 0.00 O ATOM 400 CB GLU A 26 -11.195 2.031 -5.199 1.00 0.00 C ATOM 401 CG GLU A 26 -11.146 2.703 -6.584 1.00 0.00 C ATOM 402 CD GLU A 26 -12.247 3.700 -6.822 1.00 0.00 C ATOM 403 OE1 GLU A 26 -12.579 4.445 -5.908 1.00 0.00 O ATOM 404 OE2 GLU A 26 -12.751 3.797 -7.961 1.00 0.00 O ATOM 0 H GLU A 26 -11.259 0.394 -3.406 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.285 1.957 -4.604 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.045 2.800 -4.441 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.353 1.342 -5.124 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.185 3.205 -6.699 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.197 1.932 -7.352 1.00 0.00 H new ATOM 411 N HIS A 27 -12.182 -0.580 -6.384 1.00 0.00 N ATOM 412 CA HIS A 27 -12.461 -1.355 -7.585 1.00 0.00 C ATOM 413 C HIS A 27 -13.618 -2.333 -7.417 1.00 0.00 C ATOM 414 O HIS A 27 -14.372 -2.552 -8.369 1.00 0.00 O ATOM 415 CB HIS A 27 -11.207 -2.077 -8.129 1.00 0.00 C ATOM 416 CG HIS A 27 -10.143 -1.163 -8.697 1.00 0.00 C ATOM 417 ND1 HIS A 27 -10.168 -0.685 -9.986 1.00 0.00 N ATOM 418 CD2 HIS A 27 -9.016 -0.654 -8.144 1.00 0.00 C ATOM 419 CE1 HIS A 27 -9.115 0.070 -10.197 1.00 0.00 C ATOM 420 NE2 HIS A 27 -8.399 0.107 -9.099 1.00 0.00 N ATOM 0 H HIS A 27 -11.367 -0.890 -5.854 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.772 -0.620 -8.328 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.767 -2.667 -7.325 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -11.516 -2.777 -8.905 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.668 -0.819 -7.135 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -8.878 0.576 -11.121 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.525 0.619 -8.977 1.00 0.00 H new ATOM 429 N LYS A 28 -13.754 -2.921 -6.204 1.00 0.00 N ATOM 430 CA LYS A 28 -14.787 -3.958 -5.893 1.00 0.00 C ATOM 431 C LYS A 28 -14.546 -5.194 -6.763 1.00 0.00 C ATOM 432 O LYS A 28 -15.452 -6.012 -7.018 1.00 0.00 O ATOM 433 CB LYS A 28 -16.206 -3.433 -6.135 1.00 0.00 C ATOM 434 CG LYS A 28 -16.634 -2.245 -5.304 1.00 0.00 C ATOM 435 CD LYS A 28 -16.767 -2.586 -3.836 1.00 0.00 C ATOM 436 CE LYS A 28 -17.289 -1.385 -3.086 1.00 0.00 C ATOM 437 NZ LYS A 28 -17.458 -1.637 -1.655 1.00 0.00 N ATOM 0 H LYS A 28 -13.155 -2.695 -5.410 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.699 -4.216 -4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.296 -3.164 -7.187 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -16.907 -4.247 -5.953 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.908 -1.441 -5.423 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -17.588 -1.870 -5.675 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.444 -3.431 -3.708 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.800 -2.888 -3.433 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.602 -0.550 -3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -18.246 -1.084 -3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.417 -0.736 -1.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.379 -2.090 -1.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -16.698 -2.264 -1.321 1.00 0.00 H new ATOM 451 N LYS A 29 -13.317 -5.325 -7.184 1.00 0.00 N ATOM 452 CA LYS A 29 -12.878 -6.367 -8.053 1.00 0.00 C ATOM 453 C LYS A 29 -11.548 -6.851 -7.546 1.00 0.00 C ATOM 454 O LYS A 29 -10.833 -6.083 -6.888 1.00 0.00 O ATOM 455 CB LYS A 29 -12.713 -5.837 -9.482 1.00 0.00 C ATOM 456 CG LYS A 29 -14.001 -5.378 -10.137 1.00 0.00 C ATOM 457 CD LYS A 29 -13.750 -4.783 -11.507 1.00 0.00 C ATOM 458 CE LYS A 29 -13.143 -5.792 -12.474 1.00 0.00 C ATOM 459 NZ LYS A 29 -12.927 -5.206 -13.806 1.00 0.00 N ATOM 0 H LYS A 29 -12.572 -4.682 -6.918 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.610 -7.174 -8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.011 -5.003 -9.468 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.267 -6.619 -10.096 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -14.685 -6.222 -10.226 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.489 -4.638 -9.502 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.689 -4.411 -11.916 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -13.082 -3.927 -11.412 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -12.194 -6.152 -12.076 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.801 -6.656 -12.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.513 -5.922 -14.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -13.836 -4.885 -14.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.279 -4.396 -13.728 1.00 0.00 H new ATOM 473 N PRO A 30 -11.189 -8.100 -7.819 1.00 0.00 N ATOM 474 CA PRO A 30 -9.933 -8.650 -7.372 1.00 0.00 C ATOM 475 C PRO A 30 -8.792 -8.141 -8.238 1.00 0.00 C ATOM 476 O PRO A 30 -8.878 -8.143 -9.472 1.00 0.00 O ATOM 477 CB PRO A 30 -10.114 -10.166 -7.529 1.00 0.00 C ATOM 478 CG PRO A 30 -11.498 -10.375 -8.071 1.00 0.00 C ATOM 479 CD PRO A 30 -11.945 -9.067 -8.622 1.00 0.00 C ATOM 0 HA PRO A 30 -9.685 -8.367 -6.349 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.366 -10.578 -8.206 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -9.991 -10.673 -6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.498 -11.141 -8.846 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.173 -10.715 -7.286 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -11.717 -8.977 -9.684 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -13.021 -8.929 -8.514 1.00 0.00 H new ATOM 487 N VAL A 31 -7.738 -7.716 -7.612 1.00 0.00 N ATOM 488 CA VAL A 31 -6.629 -7.125 -8.317 1.00 0.00 C ATOM 489 C VAL A 31 -5.368 -7.957 -8.052 1.00 0.00 C ATOM 490 O VAL A 31 -5.120 -8.363 -6.903 1.00 0.00 O ATOM 491 CB VAL A 31 -6.392 -5.644 -7.851 1.00 0.00 C ATOM 492 CG1 VAL A 31 -5.325 -4.963 -8.680 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.684 -4.833 -7.887 1.00 0.00 C ATOM 0 H VAL A 31 -7.617 -7.766 -6.600 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.855 -7.114 -9.383 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.044 -5.690 -6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.189 -3.940 -8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.386 -5.508 -8.583 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.631 -4.949 -9.726 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.483 -3.813 -7.558 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -8.075 -4.816 -8.904 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.419 -5.290 -7.224 1.00 0.00 H new ATOM 503 N PRO A 32 -4.601 -8.306 -9.111 1.00 0.00 N ATOM 504 CA PRO A 32 -3.330 -9.013 -8.959 1.00 0.00 C ATOM 505 C PRO A 32 -2.331 -8.166 -8.170 1.00 0.00 C ATOM 506 O PRO A 32 -2.404 -6.922 -8.187 1.00 0.00 O ATOM 507 CB PRO A 32 -2.840 -9.209 -10.401 1.00 0.00 C ATOM 508 CG PRO A 32 -4.057 -9.068 -11.242 1.00 0.00 C ATOM 509 CD PRO A 32 -4.933 -8.083 -10.529 1.00 0.00 C ATOM 0 HA PRO A 32 -3.437 -9.952 -8.415 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.088 -8.466 -10.667 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.381 -10.189 -10.532 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.803 -8.714 -12.241 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.563 -10.026 -11.362 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.721 -7.059 -10.836 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.989 -8.264 -10.729 1.00 0.00 H new ATOM 517 N PHE A 33 -1.397 -8.836 -7.521 1.00 0.00 N ATOM 518 CA PHE A 33 -0.418 -8.217 -6.634 1.00 0.00 C ATOM 519 C PHE A 33 0.314 -7.065 -7.318 1.00 0.00 C ATOM 520 O PHE A 33 0.373 -5.956 -6.794 1.00 0.00 O ATOM 521 CB PHE A 33 0.583 -9.273 -6.135 1.00 0.00 C ATOM 522 CG PHE A 33 1.525 -8.776 -5.073 1.00 0.00 C ATOM 523 CD1 PHE A 33 1.154 -8.809 -3.740 1.00 0.00 C ATOM 524 CD2 PHE A 33 2.772 -8.274 -5.405 1.00 0.00 C ATOM 525 CE1 PHE A 33 2.007 -8.353 -2.759 1.00 0.00 C ATOM 526 CE2 PHE A 33 3.627 -7.815 -4.431 1.00 0.00 C ATOM 527 CZ PHE A 33 3.245 -7.855 -3.103 1.00 0.00 C ATOM 0 H PHE A 33 -1.292 -9.848 -7.595 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.954 -7.801 -5.780 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.029 -10.126 -5.743 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.166 -9.634 -6.982 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.184 -9.197 -3.466 1.00 0.00 H new ATOM 0 HD2 PHE A 33 3.076 -8.243 -6.441 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.706 -8.386 -1.722 1.00 0.00 H new ATOM 0 HE2 PHE A 33 4.596 -7.424 -4.703 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.916 -7.496 -2.336 1.00 0.00 H new ATOM 537 N GLN A 34 0.823 -7.308 -8.501 1.00 0.00 N ATOM 538 CA GLN A 34 1.550 -6.286 -9.211 1.00 0.00 C ATOM 539 C GLN A 34 0.671 -5.144 -9.623 1.00 0.00 C ATOM 540 O GLN A 34 1.064 -4.004 -9.486 1.00 0.00 O ATOM 541 CB GLN A 34 2.337 -6.841 -10.387 1.00 0.00 C ATOM 542 CG GLN A 34 3.601 -7.560 -9.976 1.00 0.00 C ATOM 543 CD GLN A 34 4.646 -6.616 -9.378 1.00 0.00 C ATOM 544 OE1 GLN A 34 5.497 -6.066 -10.086 1.00 0.00 O ATOM 545 NE2 GLN A 34 4.565 -6.386 -8.100 1.00 0.00 N ATOM 0 H GLN A 34 0.748 -8.200 -8.990 1.00 0.00 H new ATOM 0 HA GLN A 34 2.279 -5.889 -8.504 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.703 -7.528 -10.948 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.595 -6.024 -11.060 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.355 -8.332 -9.247 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.026 -8.064 -10.844 1.00 0.00 H new ATOM 0 HE21 GLN A 34 3.852 -6.855 -7.542 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.215 -5.737 -7.657 1.00 0.00 H new ATOM 554 N GLU A 35 -0.548 -5.431 -10.030 1.00 0.00 N ATOM 555 CA GLU A 35 -1.422 -4.386 -10.502 1.00 0.00 C ATOM 556 C GLU A 35 -1.801 -3.450 -9.376 1.00 0.00 C ATOM 557 O GLU A 35 -1.853 -2.236 -9.574 1.00 0.00 O ATOM 558 CB GLU A 35 -2.669 -4.942 -11.177 1.00 0.00 C ATOM 559 CG GLU A 35 -2.394 -5.760 -12.424 1.00 0.00 C ATOM 560 CD GLU A 35 -1.584 -5.009 -13.448 1.00 0.00 C ATOM 561 OE1 GLU A 35 -1.771 -3.780 -13.602 1.00 0.00 O ATOM 562 OE2 GLU A 35 -0.752 -5.636 -14.121 1.00 0.00 O ATOM 0 H GLU A 35 -0.950 -6.369 -10.043 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.868 -3.823 -11.253 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.209 -5.563 -10.462 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.326 -4.113 -11.439 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.864 -6.671 -12.146 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.341 -6.065 -12.869 1.00 0.00 H new ATOM 569 N LEU A 36 -2.014 -4.014 -8.190 1.00 0.00 N ATOM 570 CA LEU A 36 -2.387 -3.221 -7.038 1.00 0.00 C ATOM 571 C LEU A 36 -1.200 -2.343 -6.610 1.00 0.00 C ATOM 572 O LEU A 36 -1.362 -1.153 -6.351 1.00 0.00 O ATOM 573 CB LEU A 36 -2.935 -4.128 -5.881 1.00 0.00 C ATOM 574 CG LEU A 36 -1.928 -4.794 -4.924 1.00 0.00 C ATOM 575 CD1 LEU A 36 -1.646 -3.886 -3.733 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.410 -6.153 -4.452 1.00 0.00 C ATOM 0 H LEU A 36 -1.933 -5.015 -8.009 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.207 -2.553 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.613 -3.523 -5.279 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.532 -4.919 -6.335 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.003 -4.950 -5.479 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.933 -4.371 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.229 -2.942 -4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -2.574 -3.694 -3.194 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.671 -6.588 -3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.358 -6.040 -3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.548 -6.809 -5.312 1.00 0.00 H new ATOM 588 N LEU A 37 0.010 -2.928 -6.589 1.00 0.00 N ATOM 589 CA LEU A 37 1.209 -2.173 -6.236 1.00 0.00 C ATOM 590 C LEU A 37 1.467 -1.084 -7.234 1.00 0.00 C ATOM 591 O LEU A 37 1.799 0.022 -6.874 1.00 0.00 O ATOM 592 CB LEU A 37 2.466 -3.061 -6.107 1.00 0.00 C ATOM 593 CG LEU A 37 2.762 -3.695 -4.735 1.00 0.00 C ATOM 594 CD1 LEU A 37 2.909 -2.633 -3.661 1.00 0.00 C ATOM 595 CD2 LEU A 37 1.722 -4.701 -4.341 1.00 0.00 C ATOM 0 H LEU A 37 0.176 -3.910 -6.811 1.00 0.00 H new ATOM 0 HA LEU A 37 1.013 -1.738 -5.256 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.383 -3.866 -6.837 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.330 -2.461 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 37 3.710 -4.225 -4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 37 3.117 -3.110 -2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.730 -1.965 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.985 -2.060 -3.587 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.973 -5.121 -3.367 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.748 -4.215 -4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.688 -5.499 -5.083 1.00 0.00 H new ATOM 607 N ASN A 38 1.279 -1.394 -8.480 1.00 0.00 N ATOM 608 CA ASN A 38 1.523 -0.445 -9.540 1.00 0.00 C ATOM 609 C ASN A 38 0.555 0.724 -9.489 1.00 0.00 C ATOM 610 O ASN A 38 0.942 1.857 -9.792 1.00 0.00 O ATOM 611 CB ASN A 38 1.592 -1.142 -10.901 1.00 0.00 C ATOM 612 CG ASN A 38 2.869 -1.972 -11.016 1.00 0.00 C ATOM 613 OD1 ASN A 38 3.913 -1.596 -10.508 1.00 0.00 O ATOM 614 ND2 ASN A 38 2.780 -3.125 -11.601 1.00 0.00 N ATOM 0 H ASN A 38 0.953 -2.307 -8.798 1.00 0.00 H new ATOM 0 HA ASN A 38 2.506 -0.002 -9.383 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.721 -1.785 -11.031 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.562 -0.399 -11.698 1.00 0.00 H new ATOM 0 HD21 ASN A 38 3.593 -3.739 -11.644 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.897 -3.418 -12.019 1.00 0.00 H new ATOM 621 N GLU A 39 -0.687 0.471 -9.047 1.00 0.00 N ATOM 622 CA GLU A 39 -1.632 1.560 -8.823 1.00 0.00 C ATOM 623 C GLU A 39 -1.165 2.418 -7.655 1.00 0.00 C ATOM 624 O GLU A 39 -1.152 3.651 -7.743 1.00 0.00 O ATOM 625 CB GLU A 39 -3.071 1.082 -8.575 1.00 0.00 C ATOM 626 CG GLU A 39 -3.734 0.387 -9.751 1.00 0.00 C ATOM 627 CD GLU A 39 -5.232 0.272 -9.564 1.00 0.00 C ATOM 628 OE1 GLU A 39 -5.935 1.294 -9.724 1.00 0.00 O ATOM 629 OE2 GLU A 39 -5.741 -0.809 -9.237 1.00 0.00 O ATOM 0 H GLU A 39 -1.049 -0.461 -8.843 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.653 2.146 -9.742 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.069 0.400 -7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.679 1.942 -8.292 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.523 0.940 -10.666 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.306 -0.608 -9.874 1.00 0.00 H new ATOM 636 N ILE A 40 -0.745 1.756 -6.574 1.00 0.00 N ATOM 637 CA ILE A 40 -0.226 2.445 -5.396 1.00 0.00 C ATOM 638 C ILE A 40 0.954 3.331 -5.788 1.00 0.00 C ATOM 639 O ILE A 40 0.989 4.492 -5.431 1.00 0.00 O ATOM 640 CB ILE A 40 0.203 1.453 -4.262 1.00 0.00 C ATOM 641 CG1 ILE A 40 -1.014 0.659 -3.760 1.00 0.00 C ATOM 642 CG2 ILE A 40 0.878 2.198 -3.101 1.00 0.00 C ATOM 643 CD1 ILE A 40 -0.697 -0.370 -2.688 1.00 0.00 C ATOM 0 H ILE A 40 -0.756 0.739 -6.493 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.034 3.059 -4.999 1.00 0.00 H new ATOM 0 HB ILE A 40 0.929 0.755 -4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.751 1.359 -3.367 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.476 0.152 -4.607 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.165 1.484 -2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.766 2.714 -3.467 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.183 2.926 -2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.613 -0.882 -2.393 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.015 -1.096 -3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.265 0.129 -1.821 1.00 0.00 H new ATOM 655 N ALA A 41 1.865 2.777 -6.586 1.00 0.00 N ATOM 656 CA ALA A 41 3.055 3.485 -7.059 1.00 0.00 C ATOM 657 C ALA A 41 2.693 4.763 -7.777 1.00 0.00 C ATOM 658 O ALA A 41 3.372 5.774 -7.617 1.00 0.00 O ATOM 659 CB ALA A 41 3.888 2.602 -7.975 1.00 0.00 C ATOM 0 H ALA A 41 1.798 1.817 -6.925 1.00 0.00 H new ATOM 0 HA ALA A 41 3.645 3.740 -6.178 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.766 3.153 -8.312 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.205 1.711 -7.432 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.291 2.308 -8.838 1.00 0.00 H new ATOM 665 N SER A 42 1.617 4.719 -8.558 1.00 0.00 N ATOM 666 CA SER A 42 1.156 5.879 -9.280 1.00 0.00 C ATOM 667 C SER A 42 0.767 7.004 -8.303 1.00 0.00 C ATOM 668 O SER A 42 1.289 8.124 -8.387 1.00 0.00 O ATOM 669 CB SER A 42 -0.038 5.508 -10.157 1.00 0.00 C ATOM 670 OG SER A 42 0.248 4.376 -10.963 1.00 0.00 O ATOM 0 H SER A 42 1.052 3.882 -8.701 1.00 0.00 H new ATOM 0 HA SER A 42 1.966 6.238 -9.915 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.904 5.300 -9.528 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.302 6.353 -10.793 1.00 0.00 H new ATOM 0 HG SER A 42 0.307 3.578 -10.397 1.00 0.00 H new ATOM 676 N LEU A 43 -0.113 6.688 -7.364 1.00 0.00 N ATOM 677 CA LEU A 43 -0.592 7.675 -6.402 1.00 0.00 C ATOM 678 C LEU A 43 0.490 8.094 -5.396 1.00 0.00 C ATOM 679 O LEU A 43 0.561 9.253 -5.001 1.00 0.00 O ATOM 680 CB LEU A 43 -1.879 7.219 -5.672 1.00 0.00 C ATOM 681 CG LEU A 43 -3.188 7.131 -6.493 1.00 0.00 C ATOM 682 CD1 LEU A 43 -3.440 8.404 -7.260 1.00 0.00 C ATOM 683 CD2 LEU A 43 -3.230 5.924 -7.411 1.00 0.00 C ATOM 0 H LEU A 43 -0.511 5.756 -7.246 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.846 8.556 -6.992 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.688 6.236 -5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.052 7.903 -4.841 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.994 7.000 -5.771 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.367 8.310 -7.826 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.523 9.238 -6.563 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.612 8.585 -7.946 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.172 5.917 -7.960 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.400 5.974 -8.115 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.149 5.013 -6.818 1.00 0.00 H new ATOM 695 N LEU A 44 1.371 7.164 -5.056 1.00 0.00 N ATOM 696 CA LEU A 44 2.443 7.353 -4.049 1.00 0.00 C ATOM 697 C LEU A 44 3.607 8.203 -4.603 1.00 0.00 C ATOM 698 O LEU A 44 4.682 8.197 -4.056 1.00 0.00 O ATOM 699 CB LEU A 44 2.943 5.955 -3.596 1.00 0.00 C ATOM 700 CG LEU A 44 3.995 5.873 -2.475 1.00 0.00 C ATOM 701 CD1 LEU A 44 3.461 6.434 -1.174 1.00 0.00 C ATOM 702 CD2 LEU A 44 4.452 4.437 -2.294 1.00 0.00 C ATOM 0 H LEU A 44 1.373 6.233 -5.472 1.00 0.00 H new ATOM 0 HA LEU A 44 2.039 7.899 -3.196 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.074 5.381 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.353 5.451 -4.471 1.00 0.00 H new ATOM 0 HG LEU A 44 4.851 6.481 -2.767 1.00 0.00 H new ATOM 0 HD11 LEU A 44 4.229 6.361 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.186 7.479 -1.314 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.583 5.866 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.196 4.389 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 44 3.598 3.814 -2.029 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.891 4.075 -3.224 1.00 0.00 H new ATOM 714 N GLY A 45 3.311 8.979 -5.633 1.00 0.00 N ATOM 715 CA GLY A 45 4.287 9.843 -6.353 1.00 0.00 C ATOM 716 C GLY A 45 5.745 9.341 -6.362 1.00 0.00 C ATOM 717 O GLY A 45 6.654 10.087 -5.994 1.00 0.00 O ATOM 0 H GLY A 45 2.368 9.041 -6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.954 9.954 -7.385 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.267 10.836 -5.903 1.00 0.00 H new ATOM 721 N VAL A 46 5.971 8.100 -6.761 1.00 0.00 N ATOM 722 CA VAL A 46 7.321 7.515 -6.726 1.00 0.00 C ATOM 723 C VAL A 46 7.564 6.601 -7.891 1.00 0.00 C ATOM 724 O VAL A 46 6.627 6.217 -8.603 1.00 0.00 O ATOM 725 CB VAL A 46 7.580 6.653 -5.446 1.00 0.00 C ATOM 726 CG1 VAL A 46 7.717 7.494 -4.194 1.00 0.00 C ATOM 727 CG2 VAL A 46 6.487 5.596 -5.275 1.00 0.00 C ATOM 0 H VAL A 46 5.248 7.473 -7.113 1.00 0.00 H new ATOM 0 HA VAL A 46 7.988 8.377 -6.746 1.00 0.00 H new ATOM 0 HB VAL A 46 8.536 6.150 -5.592 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.895 6.844 -3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.554 8.182 -4.308 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.800 8.061 -4.035 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.687 5.008 -4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.518 6.087 -5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.476 4.939 -6.145 1.00 0.00 H new ATOM 737 N LYS A 47 8.823 6.250 -8.084 1.00 0.00 N ATOM 738 CA LYS A 47 9.172 5.209 -9.007 1.00 0.00 C ATOM 739 C LYS A 47 8.943 3.874 -8.325 1.00 0.00 C ATOM 740 O LYS A 47 8.998 3.789 -7.087 1.00 0.00 O ATOM 741 CB LYS A 47 10.627 5.326 -9.545 1.00 0.00 C ATOM 742 CG LYS A 47 11.761 5.466 -8.507 1.00 0.00 C ATOM 743 CD LYS A 47 13.124 5.442 -9.219 1.00 0.00 C ATOM 744 CE LYS A 47 14.270 6.080 -8.411 1.00 0.00 C ATOM 745 NZ LYS A 47 14.772 5.248 -7.299 1.00 0.00 N ATOM 0 H LYS A 47 9.616 6.678 -7.607 1.00 0.00 H new ATOM 0 HA LYS A 47 8.535 5.302 -9.887 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.833 4.444 -10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.671 6.188 -10.210 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.646 6.397 -7.953 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.705 4.654 -7.782 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.385 4.408 -9.445 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.033 5.963 -10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.097 6.298 -9.087 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.927 7.033 -8.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 15.761 5.499 -7.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.192 5.414 -6.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.717 4.244 -7.565 1.00 0.00 H new ATOM 759 N LYS A 48 8.693 2.848 -9.114 1.00 0.00 N ATOM 760 CA LYS A 48 8.402 1.501 -8.616 1.00 0.00 C ATOM 761 C LYS A 48 9.450 1.010 -7.615 1.00 0.00 C ATOM 762 O LYS A 48 9.122 0.356 -6.667 1.00 0.00 O ATOM 763 CB LYS A 48 8.350 0.524 -9.783 1.00 0.00 C ATOM 764 CG LYS A 48 8.094 -0.914 -9.372 1.00 0.00 C ATOM 765 CD LYS A 48 6.632 -1.158 -8.965 1.00 0.00 C ATOM 766 CE LYS A 48 6.326 -2.646 -8.779 1.00 0.00 C ATOM 767 NZ LYS A 48 6.658 -3.449 -9.982 1.00 0.00 N ATOM 0 H LYS A 48 8.684 2.918 -10.132 1.00 0.00 H new ATOM 0 HA LYS A 48 7.441 1.550 -8.104 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.567 0.839 -10.473 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.293 0.573 -10.327 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.353 -1.576 -10.198 1.00 0.00 H new ATOM 0 HG3 LYS A 48 8.748 -1.172 -8.539 1.00 0.00 H new ATOM 0 HD2 LYS A 48 6.421 -0.626 -8.037 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.971 -0.745 -9.726 1.00 0.00 H new ATOM 0 HE2 LYS A 48 6.889 -3.026 -7.926 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.269 -2.770 -8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.167 -4.365 -9.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.355 -2.938 -10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.685 -3.608 -10.021 1.00 0.00 H new ATOM 781 N GLU A 49 10.683 1.388 -7.845 1.00 0.00 N ATOM 782 CA GLU A 49 11.839 0.953 -7.064 1.00 0.00 C ATOM 783 C GLU A 49 11.700 1.272 -5.538 1.00 0.00 C ATOM 784 O GLU A 49 11.990 0.413 -4.669 1.00 0.00 O ATOM 785 CB GLU A 49 13.063 1.608 -7.687 1.00 0.00 C ATOM 786 CG GLU A 49 14.377 1.168 -7.137 1.00 0.00 C ATOM 787 CD GLU A 49 15.518 1.679 -7.964 1.00 0.00 C ATOM 788 OE1 GLU A 49 15.614 2.904 -8.179 1.00 0.00 O ATOM 789 OE2 GLU A 49 16.323 0.857 -8.449 1.00 0.00 O ATOM 0 H GLU A 49 10.929 2.026 -8.602 1.00 0.00 H new ATOM 0 HA GLU A 49 11.927 -0.133 -7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.053 1.410 -8.759 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.979 2.687 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.481 1.524 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.411 0.079 -7.101 1.00 0.00 H new ATOM 796 N GLU A 50 11.180 2.462 -5.233 1.00 0.00 N ATOM 797 CA GLU A 50 10.989 2.922 -3.838 1.00 0.00 C ATOM 798 C GLU A 50 9.957 2.015 -3.211 1.00 0.00 C ATOM 799 O GLU A 50 10.093 1.484 -2.078 1.00 0.00 O ATOM 800 CB GLU A 50 10.397 4.340 -3.841 1.00 0.00 C ATOM 801 CG GLU A 50 10.961 5.260 -4.902 1.00 0.00 C ATOM 802 CD GLU A 50 12.431 5.519 -4.751 1.00 0.00 C ATOM 803 OE1 GLU A 50 13.218 4.762 -5.311 1.00 0.00 O ATOM 804 OE2 GLU A 50 12.813 6.517 -4.098 1.00 0.00 O ATOM 0 H GLU A 50 10.878 3.138 -5.935 1.00 0.00 H new ATOM 0 HA GLU A 50 11.939 2.910 -3.304 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.318 4.268 -3.978 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.564 4.791 -2.863 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.776 4.825 -5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 50 10.428 6.210 -4.868 1.00 0.00 H new ATOM 811 N LEU A 51 8.934 1.792 -3.997 1.00 0.00 N ATOM 812 CA LEU A 51 7.867 0.973 -3.605 1.00 0.00 C ATOM 813 C LEU A 51 8.325 -0.462 -3.543 1.00 0.00 C ATOM 814 O LEU A 51 7.781 -1.186 -2.834 1.00 0.00 O ATOM 815 CB LEU A 51 6.672 1.127 -4.542 1.00 0.00 C ATOM 816 CG LEU A 51 5.422 0.323 -4.170 1.00 0.00 C ATOM 817 CD1 LEU A 51 4.835 0.781 -2.843 1.00 0.00 C ATOM 818 CD2 LEU A 51 4.400 0.423 -5.255 1.00 0.00 C ATOM 0 H LEU A 51 8.838 2.188 -4.932 1.00 0.00 H new ATOM 0 HA LEU A 51 7.538 1.283 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.402 2.182 -4.585 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.982 0.836 -5.546 1.00 0.00 H new ATOM 0 HG LEU A 51 5.719 -0.720 -4.057 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.950 0.188 -2.613 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.575 0.650 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.559 1.833 -2.911 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.517 -0.153 -4.977 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.122 1.467 -5.398 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.814 0.028 -6.183 1.00 0.00 H new ATOM 830 N GLY A 52 9.366 -0.820 -4.298 1.00 0.00 N ATOM 831 CA GLY A 52 9.929 -2.171 -4.291 1.00 0.00 C ATOM 832 C GLY A 52 10.374 -2.561 -2.911 1.00 0.00 C ATOM 833 O GLY A 52 10.043 -3.658 -2.417 1.00 0.00 O ATOM 0 H GLY A 52 9.843 -0.179 -4.933 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.185 -2.881 -4.651 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.775 -2.220 -4.977 1.00 0.00 H new ATOM 837 N ASP A 53 11.089 -1.653 -2.270 1.00 0.00 N ATOM 838 CA ASP A 53 11.469 -1.829 -0.851 1.00 0.00 C ATOM 839 C ASP A 53 10.207 -2.017 0.001 1.00 0.00 C ATOM 840 O ASP A 53 10.050 -3.015 0.778 1.00 0.00 O ATOM 841 CB ASP A 53 12.233 -0.597 -0.357 1.00 0.00 C ATOM 842 CG ASP A 53 12.440 -0.585 1.149 1.00 0.00 C ATOM 843 OD1 ASP A 53 13.373 -1.241 1.642 1.00 0.00 O ATOM 844 OD2 ASP A 53 11.685 0.113 1.854 1.00 0.00 O ATOM 0 H ASP A 53 11.423 -0.787 -2.693 1.00 0.00 H new ATOM 0 HA ASP A 53 12.107 -2.709 -0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 53 13.204 -0.557 -0.851 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.689 0.301 -0.650 1.00 0.00 H new ATOM 849 N ARG A 54 9.263 -1.119 -0.208 1.00 0.00 N ATOM 850 CA ARG A 54 8.018 -1.148 0.540 1.00 0.00 C ATOM 851 C ARG A 54 7.145 -2.383 0.161 1.00 0.00 C ATOM 852 O ARG A 54 6.231 -2.724 0.865 1.00 0.00 O ATOM 853 CB ARG A 54 7.264 0.182 0.388 1.00 0.00 C ATOM 854 CG ARG A 54 6.162 0.415 1.424 1.00 0.00 C ATOM 855 CD ARG A 54 5.604 1.825 1.314 1.00 0.00 C ATOM 856 NE ARG A 54 4.665 2.169 2.409 1.00 0.00 N ATOM 857 CZ ARG A 54 4.814 3.242 3.228 1.00 0.00 C ATOM 858 NH1 ARG A 54 5.972 3.903 3.253 1.00 0.00 N ATOM 859 NH2 ARG A 54 3.834 3.601 4.069 1.00 0.00 N ATOM 0 H ARG A 54 9.333 -0.362 -0.888 1.00 0.00 H new ATOM 0 HA ARG A 54 8.257 -1.263 1.597 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.982 1.000 0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.822 0.222 -0.608 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.361 -0.310 1.278 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.559 0.254 2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.430 2.537 1.315 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.092 1.933 0.358 1.00 0.00 H new ATOM 0 HE ARG A 54 3.858 1.563 2.556 1.00 0.00 H new ATOM 0 HH11 ARG A 54 6.744 3.602 2.658 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.086 4.709 3.867 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.966 3.067 4.098 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.957 4.409 4.680 1.00 0.00 H new ATOM 873 N ILE A 55 7.463 -3.032 -0.964 1.00 0.00 N ATOM 874 CA ILE A 55 6.785 -4.238 -1.437 1.00 0.00 C ATOM 875 C ILE A 55 7.214 -5.405 -0.604 1.00 0.00 C ATOM 876 O ILE A 55 6.409 -6.250 -0.273 1.00 0.00 O ATOM 877 CB ILE A 55 7.038 -4.540 -2.968 1.00 0.00 C ATOM 878 CG1 ILE A 55 6.331 -3.510 -3.844 1.00 0.00 C ATOM 879 CG2 ILE A 55 6.600 -5.951 -3.356 1.00 0.00 C ATOM 880 CD1 ILE A 55 6.506 -3.714 -5.335 1.00 0.00 C ATOM 0 H ILE A 55 8.214 -2.725 -1.582 1.00 0.00 H new ATOM 0 HA ILE A 55 5.714 -4.066 -1.333 1.00 0.00 H new ATOM 0 HB ILE A 55 8.113 -4.472 -3.134 1.00 0.00 H new ATOM 0 HG12 ILE A 55 5.266 -3.527 -3.612 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.699 -2.518 -3.582 1.00 0.00 H new ATOM 0 HG21 ILE A 55 6.793 -6.113 -4.416 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.160 -6.680 -2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.534 -6.068 -3.159 1.00 0.00 H new ATOM 0 HD11 ILE A 55 5.968 -2.934 -5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.565 -3.665 -5.587 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.111 -4.690 -5.618 1.00 0.00 H new ATOM 892 N ALA A 56 8.481 -5.438 -0.243 1.00 0.00 N ATOM 893 CA ALA A 56 8.971 -6.480 0.643 1.00 0.00 C ATOM 894 C ALA A 56 8.247 -6.363 1.980 1.00 0.00 C ATOM 895 O ALA A 56 7.717 -7.354 2.532 1.00 0.00 O ATOM 896 CB ALA A 56 10.465 -6.369 0.826 1.00 0.00 C ATOM 0 H ALA A 56 9.185 -4.764 -0.544 1.00 0.00 H new ATOM 0 HA ALA A 56 8.770 -7.458 0.205 1.00 0.00 H new ATOM 0 HB1 ALA A 56 10.810 -7.159 1.493 1.00 0.00 H new ATOM 0 HB2 ALA A 56 10.958 -6.469 -0.141 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.708 -5.398 1.258 1.00 0.00 H new ATOM 902 N GLN A 57 8.155 -5.133 2.470 1.00 0.00 N ATOM 903 CA GLN A 57 7.394 -4.877 3.686 1.00 0.00 C ATOM 904 C GLN A 57 5.908 -5.155 3.492 1.00 0.00 C ATOM 905 O GLN A 57 5.235 -5.586 4.419 1.00 0.00 O ATOM 906 CB GLN A 57 7.634 -3.470 4.203 1.00 0.00 C ATOM 907 CG GLN A 57 8.966 -3.326 4.900 1.00 0.00 C ATOM 908 CD GLN A 57 8.979 -3.983 6.275 1.00 0.00 C ATOM 909 OE1 GLN A 57 8.660 -3.350 7.275 1.00 0.00 O ATOM 910 NE2 GLN A 57 9.330 -5.241 6.344 1.00 0.00 N ATOM 0 H GLN A 57 8.590 -4.310 2.053 1.00 0.00 H new ATOM 0 HA GLN A 57 7.754 -5.572 4.445 1.00 0.00 H new ATOM 0 HB2 GLN A 57 7.586 -2.768 3.370 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.836 -3.200 4.894 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.746 -3.770 4.281 1.00 0.00 H new ATOM 0 HG3 GLN A 57 9.205 -2.268 5.004 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.591 -5.745 5.496 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.343 -5.718 7.245 1.00 0.00 H new ATOM 919 N PHE A 58 5.423 -4.941 2.284 1.00 0.00 N ATOM 920 CA PHE A 58 4.031 -5.167 1.946 1.00 0.00 C ATOM 921 C PHE A 58 3.717 -6.648 1.930 1.00 0.00 C ATOM 922 O PHE A 58 2.675 -7.036 2.374 1.00 0.00 O ATOM 923 CB PHE A 58 3.662 -4.513 0.605 1.00 0.00 C ATOM 924 CG PHE A 58 2.198 -4.579 0.270 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.277 -3.811 0.965 1.00 0.00 C ATOM 926 CD2 PHE A 58 1.744 -5.409 -0.732 1.00 0.00 C ATOM 927 CE1 PHE A 58 -0.064 -3.873 0.663 1.00 0.00 C ATOM 928 CE2 PHE A 58 0.404 -5.475 -1.037 1.00 0.00 C ATOM 929 CZ PHE A 58 -0.500 -4.707 -0.340 1.00 0.00 C ATOM 0 H PHE A 58 5.988 -4.603 1.505 1.00 0.00 H new ATOM 0 HA PHE A 58 3.423 -4.696 2.718 1.00 0.00 H new ATOM 0 HB2 PHE A 58 3.972 -3.468 0.626 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.228 -4.998 -0.191 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.616 -3.156 1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.448 -6.014 -1.284 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.772 -3.269 1.212 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.061 -6.130 -1.824 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.552 -4.759 -0.580 1.00 0.00 H new ATOM 939 N TYR A 59 4.633 -7.472 1.416 1.00 0.00 N ATOM 940 CA TYR A 59 4.464 -8.929 1.449 1.00 0.00 C ATOM 941 C TYR A 59 4.242 -9.384 2.855 1.00 0.00 C ATOM 942 O TYR A 59 3.287 -10.119 3.143 1.00 0.00 O ATOM 943 CB TYR A 59 5.674 -9.680 0.895 1.00 0.00 C ATOM 944 CG TYR A 59 5.707 -9.871 -0.597 1.00 0.00 C ATOM 945 CD1 TYR A 59 4.826 -10.750 -1.213 1.00 0.00 C ATOM 946 CD2 TYR A 59 6.645 -9.229 -1.381 1.00 0.00 C ATOM 947 CE1 TYR A 59 4.883 -10.979 -2.569 1.00 0.00 C ATOM 948 CE2 TYR A 59 6.703 -9.445 -2.738 1.00 0.00 C ATOM 949 CZ TYR A 59 5.824 -10.322 -3.328 1.00 0.00 C ATOM 950 OH TYR A 59 5.894 -10.548 -4.684 1.00 0.00 O ATOM 0 H TYR A 59 5.497 -7.158 0.973 1.00 0.00 H new ATOM 0 HA TYR A 59 3.604 -9.153 0.818 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.576 -9.145 1.193 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.715 -10.661 1.368 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.084 -11.262 -0.618 1.00 0.00 H new ATOM 0 HD2 TYR A 59 7.344 -8.546 -0.921 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.194 -11.669 -3.034 1.00 0.00 H new ATOM 0 HE2 TYR A 59 7.437 -8.927 -3.338 1.00 0.00 H new ATOM 0 HH TYR A 59 6.612 -10.004 -5.070 1.00 0.00 H new ATOM 960 N THR A 60 5.108 -8.929 3.729 1.00 0.00 N ATOM 961 CA THR A 60 5.015 -9.249 5.117 1.00 0.00 C ATOM 962 C THR A 60 3.699 -8.725 5.705 1.00 0.00 C ATOM 963 O THR A 60 2.878 -9.504 6.180 1.00 0.00 O ATOM 964 CB THR A 60 6.209 -8.620 5.858 1.00 0.00 C ATOM 965 OG1 THR A 60 7.425 -9.094 5.256 1.00 0.00 O ATOM 966 CG2 THR A 60 6.193 -8.984 7.333 1.00 0.00 C ATOM 0 H THR A 60 5.895 -8.326 3.489 1.00 0.00 H new ATOM 0 HA THR A 60 5.034 -10.332 5.237 1.00 0.00 H new ATOM 0 HB THR A 60 6.142 -7.535 5.780 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.626 -8.559 4.460 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.048 -8.526 7.830 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.271 -8.621 7.787 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.248 -10.067 7.441 1.00 0.00 H new ATOM 974 N ASP A 61 3.470 -7.431 5.547 1.00 0.00 N ATOM 975 CA ASP A 61 2.311 -6.742 6.145 1.00 0.00 C ATOM 976 C ASP A 61 0.959 -7.297 5.653 1.00 0.00 C ATOM 977 O ASP A 61 0.017 -7.452 6.430 1.00 0.00 O ATOM 978 CB ASP A 61 2.412 -5.246 5.862 1.00 0.00 C ATOM 979 CG ASP A 61 1.382 -4.433 6.587 1.00 0.00 C ATOM 980 OD1 ASP A 61 1.464 -4.321 7.835 1.00 0.00 O ATOM 981 OD2 ASP A 61 0.528 -3.851 5.942 1.00 0.00 O ATOM 0 H ASP A 61 4.076 -6.818 5.002 1.00 0.00 H new ATOM 0 HA ASP A 61 2.340 -6.923 7.219 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.405 -4.896 6.144 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.308 -5.079 4.790 1.00 0.00 H new ATOM 986 N LEU A 62 0.901 -7.631 4.388 1.00 0.00 N ATOM 987 CA LEU A 62 -0.307 -8.139 3.753 1.00 0.00 C ATOM 988 C LEU A 62 -0.617 -9.568 4.198 1.00 0.00 C ATOM 989 O LEU A 62 -1.743 -9.884 4.560 1.00 0.00 O ATOM 990 CB LEU A 62 -0.133 -8.099 2.230 1.00 0.00 C ATOM 991 CG LEU A 62 -1.308 -8.552 1.382 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.490 -7.632 1.585 1.00 0.00 C ATOM 993 CD2 LEU A 62 -0.911 -8.593 -0.078 1.00 0.00 C ATOM 0 H LEU A 62 1.698 -7.560 3.755 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.143 -7.507 4.053 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.113 -7.076 1.946 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.727 -8.717 1.973 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.598 -9.556 1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.324 -7.970 0.970 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.784 -7.644 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.215 -6.617 1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.761 -8.919 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.601 -7.598 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.084 -9.291 -0.211 1.00 0.00 H new ATOM 1005 N ASN A 63 0.394 -10.420 4.214 1.00 0.00 N ATOM 1006 CA ASN A 63 0.179 -11.836 4.542 1.00 0.00 C ATOM 1007 C ASN A 63 -0.003 -12.066 6.032 1.00 0.00 C ATOM 1008 O ASN A 63 -0.350 -13.161 6.460 1.00 0.00 O ATOM 1009 CB ASN A 63 1.280 -12.755 3.968 1.00 0.00 C ATOM 1010 CG ASN A 63 1.229 -12.895 2.444 1.00 0.00 C ATOM 1011 OD1 ASN A 63 0.551 -13.771 1.904 1.00 0.00 O ATOM 1012 ND2 ASN A 63 1.960 -12.063 1.742 1.00 0.00 N ATOM 0 H ASN A 63 1.361 -10.170 4.008 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.756 -12.111 4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.255 -12.363 4.256 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.188 -13.743 4.419 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.976 -12.132 0.724 1.00 0.00 H new ATOM 0 HD22 ASN A 63 2.512 -11.347 2.213 1.00 0.00 H new ATOM 1019 N ILE A 64 0.234 -11.041 6.826 1.00 0.00 N ATOM 1020 CA ILE A 64 0.020 -11.140 8.259 1.00 0.00 C ATOM 1021 C ILE A 64 -1.262 -10.408 8.655 1.00 0.00 C ATOM 1022 O ILE A 64 -1.575 -10.262 9.840 1.00 0.00 O ATOM 1023 CB ILE A 64 1.220 -10.612 9.101 1.00 0.00 C ATOM 1024 CG1 ILE A 64 1.438 -9.104 8.879 1.00 0.00 C ATOM 1025 CG2 ILE A 64 2.485 -11.407 8.771 1.00 0.00 C ATOM 1026 CD1 ILE A 64 2.561 -8.506 9.702 1.00 0.00 C ATOM 0 H ILE A 64 0.573 -10.133 6.507 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.074 -12.202 8.484 1.00 0.00 H new ATOM 0 HB ILE A 64 0.988 -10.754 10.156 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.646 -8.931 7.823 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.513 -8.577 9.112 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.317 -11.030 9.365 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.323 -12.460 9.001 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.717 -11.298 7.712 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.645 -7.441 9.484 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.348 -8.643 10.762 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.499 -9.002 9.453 1.00 0.00 H new ATOM 1038 N ASP A 65 -2.001 -9.952 7.672 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.244 -9.241 7.934 1.00 0.00 C ATOM 1040 C ASP A 65 -4.405 -10.221 7.875 1.00 0.00 C ATOM 1041 O ASP A 65 -4.251 -11.315 7.328 1.00 0.00 O ATOM 1042 CB ASP A 65 -3.455 -8.085 6.944 1.00 0.00 C ATOM 1043 CG ASP A 65 -4.767 -7.378 7.185 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -4.909 -6.720 8.230 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -5.695 -7.541 6.392 1.00 0.00 O ATOM 0 H ASP A 65 -1.770 -10.057 6.684 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.190 -8.802 8.930 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.635 -7.373 7.036 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.430 -8.470 5.924 1.00 0.00 H new ATOM 1050 N GLY A 66 -5.533 -9.865 8.463 1.00 0.00 N ATOM 1051 CA GLY A 66 -6.664 -10.741 8.451 1.00 0.00 C ATOM 1052 C GLY A 66 -7.887 -10.147 7.761 1.00 0.00 C ATOM 1053 O GLY A 66 -8.889 -10.854 7.573 1.00 0.00 O ATOM 0 H GLY A 66 -5.679 -8.980 8.948 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.389 -11.669 7.950 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.925 -10.998 9.478 1.00 0.00 H new ATOM 1057 N ARG A 67 -7.828 -8.878 7.355 1.00 0.00 N ATOM 1058 CA ARG A 67 -8.989 -8.236 6.735 1.00 0.00 C ATOM 1059 C ARG A 67 -8.900 -8.426 5.247 1.00 0.00 C ATOM 1060 O ARG A 67 -9.918 -8.420 4.518 1.00 0.00 O ATOM 1061 CB ARG A 67 -9.073 -6.738 7.075 1.00 0.00 C ATOM 1062 CG ARG A 67 -9.081 -6.450 8.565 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.789 -5.783 9.007 1.00 0.00 C ATOM 1064 NE ARG A 67 -7.707 -4.378 8.570 1.00 0.00 N ATOM 1065 CZ ARG A 67 -6.606 -3.619 8.617 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -5.403 -4.168 8.667 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -6.712 -2.315 8.503 1.00 0.00 N ATOM 0 H ARG A 67 -7.004 -8.283 7.442 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.894 -8.700 7.127 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.227 -6.223 6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.977 -6.323 6.629 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.926 -5.806 8.808 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.219 -7.380 9.116 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.713 -5.828 10.093 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.941 -6.337 8.604 1.00 0.00 H new ATOM 0 HE ARG A 67 -8.557 -3.950 8.203 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -5.305 -5.183 8.670 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -4.573 -3.576 8.702 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.629 -1.887 8.380 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -5.877 -1.730 8.538 1.00 0.00 H new ATOM 1081 N PHE A 68 -7.689 -8.566 4.790 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.431 -8.870 3.435 1.00 0.00 C ATOM 1083 C PHE A 68 -7.688 -10.339 3.183 1.00 0.00 C ATOM 1084 O PHE A 68 -7.630 -11.167 4.103 1.00 0.00 O ATOM 1085 CB PHE A 68 -6.013 -8.491 3.054 1.00 0.00 C ATOM 1086 CG PHE A 68 -5.978 -7.488 1.956 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -6.040 -6.139 2.235 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -5.897 -7.894 0.641 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -6.021 -5.216 1.221 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -5.876 -6.977 -0.377 1.00 0.00 C ATOM 1091 CZ PHE A 68 -5.939 -5.639 -0.088 1.00 0.00 C ATOM 0 H PHE A 68 -6.852 -8.469 5.364 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.105 -8.285 2.809 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.498 -8.090 3.927 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.470 -9.384 2.746 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.104 -5.807 3.261 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.850 -8.948 0.410 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.070 -4.161 1.447 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.810 -7.307 -1.403 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.924 -4.914 -0.888 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.976 -10.652 1.966 1.00 0.00 N ATOM 1102 CA LEU A 69 -8.325 -11.976 1.578 1.00 0.00 C ATOM 1103 C LEU A 69 -7.669 -12.295 0.255 1.00 0.00 C ATOM 1104 O LEU A 69 -7.739 -11.498 -0.678 1.00 0.00 O ATOM 1105 CB LEU A 69 -9.859 -12.036 1.455 1.00 0.00 C ATOM 1106 CG LEU A 69 -10.498 -13.228 0.738 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -10.227 -14.511 1.474 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -11.985 -13.012 0.615 1.00 0.00 C ATOM 0 H LEU A 69 -7.975 -9.981 1.197 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.985 -12.707 2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.272 -11.998 2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.184 -11.130 0.943 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.057 -13.306 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.693 -15.341 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.151 -14.676 1.534 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -10.641 -14.447 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.435 -13.863 0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -12.422 -12.913 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.175 -12.104 0.043 1.00 0.00 H new ATOM 1120 N ALA A 70 -7.003 -13.406 0.178 1.00 0.00 N ATOM 1121 CA ALA A 70 -6.460 -13.848 -1.078 1.00 0.00 C ATOM 1122 C ALA A 70 -7.491 -14.739 -1.682 1.00 0.00 C ATOM 1123 O ALA A 70 -8.100 -15.529 -0.963 1.00 0.00 O ATOM 1124 CB ALA A 70 -5.151 -14.598 -0.887 1.00 0.00 C ATOM 0 H ALA A 70 -6.820 -14.026 0.967 1.00 0.00 H new ATOM 0 HA ALA A 70 -6.234 -12.998 -1.722 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.770 -14.917 -1.857 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.423 -13.943 -0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.321 -15.472 -0.259 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.762 -14.589 -2.955 1.00 0.00 N ATOM 1131 CA LEU A 71 -8.784 -15.409 -3.542 1.00 0.00 C ATOM 1132 C LEU A 71 -8.331 -16.858 -3.791 1.00 0.00 C ATOM 1133 O LEU A 71 -8.188 -17.627 -2.838 1.00 0.00 O ATOM 1134 CB LEU A 71 -9.457 -14.765 -4.761 1.00 0.00 C ATOM 1135 CG LEU A 71 -9.990 -13.339 -4.576 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -10.880 -12.964 -5.719 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -10.707 -13.149 -3.255 1.00 0.00 C ATOM 0 H LEU A 71 -7.305 -13.929 -3.584 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.567 -15.477 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.740 -14.757 -5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.286 -15.402 -5.069 1.00 0.00 H new ATOM 0 HG LEU A 71 -9.126 -12.675 -4.561 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.251 -11.949 -5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.317 -13.015 -6.651 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.722 -13.655 -5.766 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.063 -12.122 -3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.555 -13.832 -3.200 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.020 -13.357 -2.435 1.00 0.00 H new ATOM 1149 N SER A 72 -8.095 -17.257 -5.024 1.00 0.00 N ATOM 1150 CA SER A 72 -7.747 -18.637 -5.218 1.00 0.00 C ATOM 1151 C SER A 72 -6.254 -18.890 -5.451 1.00 0.00 C ATOM 1152 O SER A 72 -5.590 -19.553 -4.645 1.00 0.00 O ATOM 1153 CB SER A 72 -8.610 -19.273 -6.316 1.00 0.00 C ATOM 1154 OG SER A 72 -8.434 -18.621 -7.571 1.00 0.00 O ATOM 0 H SER A 72 -8.136 -16.677 -5.862 1.00 0.00 H new ATOM 0 HA SER A 72 -7.967 -19.130 -4.271 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.353 -20.328 -6.415 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.660 -19.226 -6.026 1.00 0.00 H new ATOM 0 HG SER A 72 -7.768 -19.107 -8.102 1.00 0.00 H new ATOM 1160 N ASP A 73 -5.701 -18.327 -6.516 1.00 0.00 N ATOM 1161 CA ASP A 73 -4.358 -18.726 -6.906 1.00 0.00 C ATOM 1162 C ASP A 73 -3.363 -17.592 -6.972 1.00 0.00 C ATOM 1163 O ASP A 73 -2.164 -17.848 -6.947 1.00 0.00 O ATOM 1164 CB ASP A 73 -4.385 -19.385 -8.290 1.00 0.00 C ATOM 1165 CG ASP A 73 -5.310 -20.559 -8.418 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -6.535 -20.351 -8.607 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -4.837 -21.704 -8.398 1.00 0.00 O ATOM 0 H ASP A 73 -6.141 -17.620 -7.105 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.033 -19.412 -6.124 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.671 -18.635 -9.027 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.375 -19.709 -8.541 1.00 0.00 H new ATOM 1172 N GLN A 74 -3.814 -16.351 -7.030 1.00 0.00 N ATOM 1173 CA GLN A 74 -2.858 -15.234 -7.137 1.00 0.00 C ATOM 1174 C GLN A 74 -3.476 -13.993 -6.571 1.00 0.00 C ATOM 1175 O GLN A 74 -2.958 -13.370 -5.640 1.00 0.00 O ATOM 1176 CB GLN A 74 -2.482 -14.830 -8.614 1.00 0.00 C ATOM 1177 CG GLN A 74 -2.249 -15.914 -9.664 1.00 0.00 C ATOM 1178 CD GLN A 74 -3.537 -16.484 -10.250 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -3.580 -17.638 -10.658 1.00 0.00 O ATOM 1180 NE2 GLN A 74 -4.579 -15.678 -10.340 1.00 0.00 N ATOM 0 H GLN A 74 -4.798 -16.084 -7.007 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.970 -15.587 -6.612 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -3.277 -14.183 -8.986 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.576 -14.226 -8.565 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.644 -15.502 -10.471 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.674 -16.724 -9.216 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -4.515 -14.721 -9.992 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -5.448 -16.012 -10.758 1.00 0.00 H new ATOM 1189 N THR A 75 -4.564 -13.643 -7.188 1.00 0.00 N ATOM 1190 CA THR A 75 -5.265 -12.420 -7.028 1.00 0.00 C ATOM 1191 C THR A 75 -5.790 -12.214 -5.603 1.00 0.00 C ATOM 1192 O THR A 75 -6.330 -13.138 -4.970 1.00 0.00 O ATOM 1193 CB THR A 75 -6.411 -12.469 -8.021 1.00 0.00 C ATOM 1194 OG1 THR A 75 -5.944 -13.189 -9.191 1.00 0.00 O ATOM 1195 CG2 THR A 75 -6.811 -11.086 -8.451 1.00 0.00 C ATOM 0 H THR A 75 -5.013 -14.258 -7.867 1.00 0.00 H new ATOM 0 HA THR A 75 -4.596 -11.578 -7.208 1.00 0.00 H new ATOM 0 HB THR A 75 -7.270 -12.953 -7.557 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.665 -13.240 -9.853 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.634 -11.150 -9.163 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.128 -10.512 -7.580 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.962 -10.592 -8.922 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.625 -11.012 -5.111 1.00 0.00 N ATOM 1204 CA TRP A 76 -6.075 -10.661 -3.798 1.00 0.00 C ATOM 1205 C TRP A 76 -7.403 -9.941 -3.886 1.00 0.00 C ATOM 1206 O TRP A 76 -7.839 -9.539 -4.981 1.00 0.00 O ATOM 1207 CB TRP A 76 -5.046 -9.779 -3.076 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.777 -10.487 -2.688 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.677 -10.713 -3.470 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -3.474 -11.043 -1.402 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.720 -11.385 -2.747 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -2.185 -11.595 -1.476 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -4.170 -11.125 -0.194 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.581 -12.225 -0.390 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -3.572 -11.747 0.882 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -2.288 -12.288 0.778 1.00 0.00 C ATOM 0 H TRP A 76 -5.172 -10.250 -5.616 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.197 -11.579 -3.222 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.794 -8.936 -3.720 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -5.506 -9.368 -2.178 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.576 -10.409 -4.501 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.810 -11.680 -3.100 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.162 -10.707 -0.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.590 -12.648 -0.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -4.104 -11.817 1.819 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.845 -12.766 1.639 1.00 0.00 H new ATOM 1227 N GLY A 77 -8.045 -9.809 -2.767 1.00 0.00 N ATOM 1228 CA GLY A 77 -9.265 -9.099 -2.676 1.00 0.00 C ATOM 1229 C GLY A 77 -9.576 -8.753 -1.249 1.00 0.00 C ATOM 1230 O GLY A 77 -8.686 -8.706 -0.403 1.00 0.00 O ATOM 0 H GLY A 77 -7.724 -10.201 -1.882 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.206 -8.188 -3.271 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.073 -9.700 -3.093 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.819 -8.560 -0.962 1.00 0.00 N ATOM 1235 CA LEU A 78 -11.235 -8.182 0.369 1.00 0.00 C ATOM 1236 C LEU A 78 -12.128 -9.231 0.931 1.00 0.00 C ATOM 1237 O LEU A 78 -12.977 -9.785 0.218 1.00 0.00 O ATOM 1238 CB LEU A 78 -11.933 -6.821 0.404 1.00 0.00 C ATOM 1239 CG LEU A 78 -11.087 -5.610 0.013 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -11.902 -4.338 0.134 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -9.833 -5.521 0.870 1.00 0.00 C ATOM 0 H LEU A 78 -11.582 -8.656 -1.632 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.336 -8.092 0.978 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.796 -6.863 -0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.315 -6.659 1.412 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.778 -5.732 -1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.287 -3.483 -0.148 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.767 -4.396 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.239 -4.219 1.164 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.249 -4.651 0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.115 -5.426 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.235 -6.423 0.735 1.00 0.00 H new ATOM 1253 N ARG A 79 -11.963 -9.489 2.203 1.00 0.00 N ATOM 1254 CA ARG A 79 -12.692 -10.541 2.882 1.00 0.00 C ATOM 1255 C ARG A 79 -14.151 -10.152 3.047 1.00 0.00 C ATOM 1256 O ARG A 79 -15.027 -10.999 3.179 1.00 0.00 O ATOM 1257 CB ARG A 79 -12.030 -10.815 4.227 1.00 0.00 C ATOM 1258 CG ARG A 79 -12.495 -12.058 4.950 1.00 0.00 C ATOM 1259 CD ARG A 79 -11.726 -12.206 6.245 1.00 0.00 C ATOM 1260 NE ARG A 79 -12.049 -13.448 6.972 1.00 0.00 N ATOM 1261 CZ ARG A 79 -12.356 -13.531 8.281 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -12.630 -12.438 8.971 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -12.421 -14.720 8.884 1.00 0.00 N ATOM 0 H ARG A 79 -11.318 -8.976 2.804 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.666 -11.454 2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.954 -10.889 4.072 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -12.200 -9.956 4.876 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -13.564 -11.994 5.155 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -12.342 -12.936 4.322 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -10.658 -12.185 6.030 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -11.939 -11.351 6.887 1.00 0.00 H new ATOM 0 HE ARG A 79 -12.039 -14.317 6.439 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -12.610 -11.527 8.513 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -12.862 -12.505 9.962 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -12.238 -15.572 8.353 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -12.654 -14.777 9.875 1.00 0.00 H new ATOM 1277 N SER A 80 -14.387 -8.874 2.983 1.00 0.00 N ATOM 1278 CA SER A 80 -15.685 -8.281 3.114 1.00 0.00 C ATOM 1279 C SER A 80 -16.624 -8.687 1.960 1.00 0.00 C ATOM 1280 O SER A 80 -17.843 -8.662 2.102 1.00 0.00 O ATOM 1281 CB SER A 80 -15.466 -6.788 3.075 1.00 0.00 C ATOM 1282 OG SER A 80 -14.268 -6.461 3.778 1.00 0.00 O ATOM 0 H SER A 80 -13.648 -8.188 2.832 1.00 0.00 H new ATOM 0 HA SER A 80 -16.157 -8.614 4.038 1.00 0.00 H new ATOM 0 HB2 SER A 80 -15.398 -6.447 2.042 1.00 0.00 H new ATOM 0 HB3 SER A 80 -16.315 -6.274 3.525 1.00 0.00 H new ATOM 0 HG SER A 80 -14.127 -5.492 3.750 1.00 0.00 H new ATOM 1288 N TRP A 81 -16.054 -9.079 0.836 1.00 0.00 N ATOM 1289 CA TRP A 81 -16.852 -9.353 -0.343 1.00 0.00 C ATOM 1290 C TRP A 81 -17.484 -10.733 -0.329 1.00 0.00 C ATOM 1291 O TRP A 81 -18.549 -10.930 -0.906 1.00 0.00 O ATOM 1292 CB TRP A 81 -16.020 -9.258 -1.622 1.00 0.00 C ATOM 1293 CG TRP A 81 -15.339 -7.962 -1.879 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -15.718 -6.719 -1.453 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -14.168 -7.777 -2.682 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -14.839 -5.777 -1.913 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -13.882 -6.397 -2.679 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -13.318 -8.651 -3.407 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -12.799 -5.865 -3.356 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -12.250 -8.104 -4.078 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -12.001 -6.727 -4.048 1.00 0.00 C ATOM 0 H TRP A 81 -15.050 -9.214 0.715 1.00 0.00 H new ATOM 0 HA TRP A 81 -17.634 -8.594 -0.327 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -15.262 -10.041 -1.594 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -16.671 -9.474 -2.469 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -16.584 -6.511 -0.843 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -14.887 -4.777 -1.719 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.504 -9.715 -3.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -12.593 -4.805 -3.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.590 -8.749 -4.639 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -11.152 -6.336 -4.589 1.00 0.00 H new ATOM 1312 N TYR A 82 -16.849 -11.690 0.299 1.00 0.00 N ATOM 1313 CA TYR A 82 -17.280 -13.067 0.115 1.00 0.00 C ATOM 1314 C TYR A 82 -17.268 -13.816 1.430 1.00 0.00 C ATOM 1315 O TYR A 82 -16.674 -13.350 2.398 1.00 0.00 O ATOM 1316 CB TYR A 82 -16.289 -13.779 -0.806 1.00 0.00 C ATOM 1317 CG TYR A 82 -15.836 -13.019 -2.017 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -16.655 -12.832 -3.111 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -14.556 -12.513 -2.063 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -16.205 -12.152 -4.220 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -14.094 -11.849 -3.149 1.00 0.00 C ATOM 1322 CZ TYR A 82 -14.922 -11.664 -4.239 1.00 0.00 C ATOM 1323 OH TYR A 82 -14.469 -10.989 -5.347 1.00 0.00 O ATOM 0 H TYR A 82 -16.055 -11.557 0.925 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.288 -13.052 -0.301 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -15.409 -14.044 -0.220 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -16.743 -14.712 -1.139 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -17.661 -13.224 -3.097 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -13.905 -12.649 -1.212 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.856 -12.004 -5.069 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -13.084 -11.466 -3.163 1.00 0.00 H new ATOM 0 HH TYR A 82 -14.118 -10.115 -5.077 1.00 0.00 H new