USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 856 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 23 TYR OH : rot 30:sc= 0 USER MOD Set 1.2: A 45 GLN : amide:sc= -0.448 K(o=0.7,f=-4.5!) USER MOD Set 1.3: A 66 SER OG : rot 65:sc= 1.15 USER MOD Single : A 4 LYS NZ :NH3+ 161:sc= 1.99 (180deg=0.415!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -149:sc= 0.714 (180deg=-1.14!) USER MOD Single : A 9 ASN : amide:sc= -5.87! C(o=-5.9!,f=-13!) USER MOD Single : A 11 GLN : amide:sc= -5.2! C(o=-5.2!,f=-8.2!) USER MOD Single : A 16 ASN : amide:sc= 0.974 K(o=0.97,f=-0.014) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 48:sc= 0.516 USER MOD Single : A 24 MET CE :methyl 180:sc= -0.194 (180deg=-0.194) USER MOD Single : A 30 LYS NZ :NH3+ 159:sc= 1.26 (180deg=0.405) USER MOD Single : A 32 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0214) USER MOD Single : A 34 THR OG1 : rot -141:sc= 1.27 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -121:sc= 2.17 (180deg=-2.55) USER MOD Single : A 43 HIS : no HE2:sc= -0.106 K(o=-0.11,f=-0.8) USER MOD Single : A 50 THR OG1 : rot -20:sc= 0.556 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0336 USER MOD Single : A 59 GLN : amide:sc= -1.79 K(o=-1.8,f=-0.12) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 79:sc= 0.611 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.117 USER MOD Single : A 72 LYS NZ :NH3+ -177:sc= 0.314 (180deg=0.292) USER MOD Single : A 73 ASN : amide:sc= 1.14 K(o=1.1,f=-0.53) USER MOD Single : A 79 LYS NZ :NH3+ -165:sc= 1.28 (180deg=1.06) USER MOD Single : A 82 THR OG1 : rot -72:sc= 1.19 USER MOD Single : A 84 HIS : no HD1:sc=-0.00849 X(o=-0.0085,f=0) USER MOD Single : A 90 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.157) USER MOD Single : A 93 LYS NZ :NH3+ -151:sc= 1.27 (180deg=1.17) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 2.56 (180deg=2.56) USER MOD Single : A 95 TYR OH : rot 96:sc= 0.00205 USER MOD Single : A 100 LYS NZ :NH3+ 152:sc= -0.488 (180deg=-1.69!) USER MOD Single : A 102 LYS NZ :NH3+ 167:sc= 1.19 (180deg=1.07) USER MOD ----------------------------------------------------------------- ATOM 38 N ASP A 3 -18.204 -2.162 3.587 1.00 0.00 N ATOM 39 CA ASP A 3 -16.911 -2.787 3.656 1.00 0.00 C ATOM 40 C ASP A 3 -16.469 -3.071 2.262 1.00 0.00 C ATOM 41 O ASP A 3 -17.310 -3.164 1.363 1.00 0.00 O ATOM 42 CB ASP A 3 -16.985 -4.120 4.434 1.00 0.00 C ATOM 43 CG ASP A 3 -17.793 -5.197 3.722 1.00 0.00 C ATOM 44 OD1 ASP A 3 -19.050 -5.046 3.609 1.00 0.00 O ATOM 45 OD2 ASP A 3 -17.197 -6.222 3.286 1.00 0.00 O ATOM 0 HA ASP A 3 -16.215 -2.125 4.170 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -15.973 -4.489 4.603 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -17.425 -3.935 5.414 1.00 0.00 H new ATOM 50 N LYS A 4 -15.172 -3.188 2.084 1.00 0.00 N ATOM 51 CA LYS A 4 -14.531 -3.450 0.788 1.00 0.00 C ATOM 52 C LYS A 4 -14.668 -2.308 -0.187 1.00 0.00 C ATOM 53 O LYS A 4 -15.683 -1.641 -0.205 1.00 0.00 O ATOM 54 CB LYS A 4 -14.942 -4.772 0.177 1.00 0.00 C ATOM 55 CG LYS A 4 -14.495 -5.924 1.009 1.00 0.00 C ATOM 56 CD LYS A 4 -15.029 -7.218 0.490 1.00 0.00 C ATOM 57 CE LYS A 4 -14.696 -8.334 1.459 1.00 0.00 C ATOM 58 NZ LYS A 4 -15.003 -7.937 2.862 1.00 0.00 N ATOM 0 H LYS A 4 -14.504 -3.103 2.850 1.00 0.00 H new ATOM 0 HA LYS A 4 -13.468 -3.533 1.012 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.026 -4.801 0.067 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -14.518 -4.859 -0.823 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -13.406 -5.960 1.026 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.825 -5.780 2.038 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -16.109 -7.149 0.357 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.600 -7.433 -0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -15.264 -9.227 1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.640 -8.591 1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -15.078 -8.788 3.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -14.242 -7.328 3.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -15.904 -7.418 2.887 1.00 0.00 H new ATOM 72 N TYR A 5 -13.593 -2.095 -1.000 1.00 0.00 N ATOM 73 CA TYR A 5 -13.394 -0.960 -1.965 1.00 0.00 C ATOM 74 C TYR A 5 -13.481 0.404 -1.303 1.00 0.00 C ATOM 75 O TYR A 5 -12.522 1.154 -1.274 1.00 0.00 O ATOM 76 CB TYR A 5 -14.240 -1.025 -3.296 1.00 0.00 C ATOM 77 CG TYR A 5 -15.728 -1.361 -3.150 1.00 0.00 C ATOM 78 CD1 TYR A 5 -16.658 -0.379 -2.848 1.00 0.00 C ATOM 79 CD2 TYR A 5 -16.187 -2.671 -3.281 1.00 0.00 C ATOM 80 CE1 TYR A 5 -17.984 -0.674 -2.681 1.00 0.00 C ATOM 81 CE2 TYR A 5 -17.527 -2.975 -3.108 1.00 0.00 C ATOM 82 CZ TYR A 5 -18.418 -1.965 -2.806 1.00 0.00 C ATOM 83 OH TYR A 5 -19.753 -2.248 -2.624 1.00 0.00 O ATOM 0 H TYR A 5 -12.801 -2.738 -1.004 1.00 0.00 H new ATOM 0 HA TYR A 5 -12.366 -1.104 -2.298 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -14.156 -0.062 -3.800 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -13.786 -1.768 -3.952 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -16.328 0.644 -2.742 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -15.488 -3.459 -3.521 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -18.687 0.112 -2.451 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -17.872 -3.994 -3.209 1.00 0.00 H new ATOM 0 HH TYR A 5 -19.904 -3.208 -2.747 1.00 0.00 H new ATOM 93 N ASP A 6 -14.584 0.610 -0.701 1.00 0.00 N ATOM 94 CA ASP A 6 -15.060 1.775 -0.036 1.00 0.00 C ATOM 95 C ASP A 6 -14.044 2.283 0.947 1.00 0.00 C ATOM 96 O ASP A 6 -13.406 3.326 0.730 1.00 0.00 O ATOM 97 CB ASP A 6 -16.327 1.326 0.729 1.00 0.00 C ATOM 98 CG ASP A 6 -17.108 2.409 1.417 1.00 0.00 C ATOM 99 OD1 ASP A 6 -16.558 3.121 2.269 1.00 0.00 O ATOM 100 OD2 ASP A 6 -18.303 2.536 1.117 1.00 0.00 O ATOM 0 H ASP A 6 -15.278 -0.136 -0.652 1.00 0.00 H new ATOM 0 HA ASP A 6 -15.260 2.578 -0.746 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.989 0.820 0.027 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -16.032 0.589 1.476 1.00 0.00 H new ATOM 105 N LYS A 7 -13.761 1.467 1.928 1.00 0.00 N ATOM 106 CA LYS A 7 -13.056 1.948 3.074 1.00 0.00 C ATOM 107 C LYS A 7 -11.864 1.053 3.480 1.00 0.00 C ATOM 108 O LYS A 7 -11.148 0.537 2.602 1.00 0.00 O ATOM 109 CB LYS A 7 -14.061 2.187 4.225 1.00 0.00 C ATOM 110 CG LYS A 7 -14.871 0.968 4.644 1.00 0.00 C ATOM 111 CD LYS A 7 -15.823 1.270 5.813 1.00 0.00 C ATOM 112 CE LYS A 7 -17.096 2.067 5.426 1.00 0.00 C ATOM 113 NZ LYS A 7 -16.842 3.417 4.864 1.00 0.00 N ATOM 0 H LYS A 7 -14.007 0.477 1.952 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.591 2.900 2.818 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -13.514 2.555 5.093 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -14.751 2.976 3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -15.449 0.609 3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -14.192 0.165 4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -16.126 0.328 6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -15.277 1.830 6.572 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -17.663 1.487 4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -17.725 2.170 6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -17.628 4.051 5.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.955 3.795 5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -16.765 3.353 3.829 1.00 0.00 H new ATOM 127 N ILE A 8 -11.652 0.920 4.802 1.00 0.00 N ATOM 128 CA ILE A 8 -10.520 0.203 5.487 1.00 0.00 C ATOM 129 C ILE A 8 -10.381 -1.308 5.156 1.00 0.00 C ATOM 130 O ILE A 8 -9.951 -2.088 5.987 1.00 0.00 O ATOM 131 CB ILE A 8 -10.751 0.282 7.015 1.00 0.00 C ATOM 132 CG1 ILE A 8 -12.169 -0.247 7.353 1.00 0.00 C ATOM 133 CG2 ILE A 8 -10.551 1.705 7.524 1.00 0.00 C ATOM 134 CD1 ILE A 8 -12.440 -0.413 8.830 1.00 0.00 C ATOM 0 H ILE A 8 -12.297 1.330 5.477 1.00 0.00 H new ATOM 0 HA ILE A 8 -9.616 0.699 5.132 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.016 -0.345 7.520 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -12.907 0.438 6.936 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -12.311 -1.209 6.860 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -10.719 1.733 8.601 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -9.533 2.029 7.307 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -11.257 2.371 7.029 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -13.454 -0.787 8.974 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -11.728 -1.122 9.253 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -12.334 0.550 9.330 1.00 0.00 H new ATOM 146 N ASN A 9 -10.566 -1.663 3.942 1.00 0.00 N ATOM 147 CA ASN A 9 -10.473 -3.058 3.536 1.00 0.00 C ATOM 148 C ASN A 9 -9.101 -3.321 2.918 1.00 0.00 C ATOM 149 O ASN A 9 -8.919 -4.253 2.156 1.00 0.00 O ATOM 150 CB ASN A 9 -11.569 -3.404 2.530 1.00 0.00 C ATOM 151 CG ASN A 9 -11.318 -2.930 1.102 1.00 0.00 C ATOM 152 OD1 ASN A 9 -11.673 -3.630 0.185 1.00 0.00 O ATOM 153 ND2 ASN A 9 -10.850 -1.709 0.872 1.00 0.00 N ATOM 0 H ASN A 9 -10.787 -1.016 3.185 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.604 -3.686 4.417 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -11.700 -4.486 2.518 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -12.508 -2.973 2.878 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -10.789 -1.358 -0.084 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -10.552 -1.122 1.651 1.00 0.00 H new ATOM 160 N LEU A 10 -8.143 -2.528 3.355 1.00 0.00 N ATOM 161 CA LEU A 10 -6.759 -2.477 2.839 1.00 0.00 C ATOM 162 C LEU A 10 -6.169 -3.865 2.657 1.00 0.00 C ATOM 163 O LEU A 10 -5.681 -4.218 1.596 1.00 0.00 O ATOM 164 CB LEU A 10 -5.914 -1.747 3.865 1.00 0.00 C ATOM 165 CG LEU A 10 -6.435 -0.398 4.306 1.00 0.00 C ATOM 166 CD1 LEU A 10 -5.862 -0.058 5.650 1.00 0.00 C ATOM 167 CD2 LEU A 10 -6.051 0.654 3.295 1.00 0.00 C ATOM 0 H LEU A 10 -8.299 -1.865 4.114 1.00 0.00 H new ATOM 0 HA LEU A 10 -6.769 -1.978 1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.815 -2.383 4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.913 -1.613 3.455 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.522 -0.433 4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.236 0.914 5.970 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -6.158 -0.817 6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.775 -0.024 5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.429 1.624 3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.965 0.698 3.210 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -6.481 0.401 2.326 1.00 0.00 H new ATOM 179 N GLN A 11 -6.277 -4.656 3.685 1.00 0.00 N ATOM 180 CA GLN A 11 -5.677 -5.954 3.702 1.00 0.00 C ATOM 181 C GLN A 11 -6.456 -6.955 2.846 1.00 0.00 C ATOM 182 O GLN A 11 -5.865 -7.877 2.252 1.00 0.00 O ATOM 183 CB GLN A 11 -5.510 -6.417 5.144 1.00 0.00 C ATOM 184 CG GLN A 11 -4.667 -7.662 5.317 1.00 0.00 C ATOM 185 CD GLN A 11 -3.291 -7.578 4.646 1.00 0.00 C ATOM 186 OE1 GLN A 11 -2.745 -8.594 4.257 1.00 0.00 O ATOM 187 NE2 GLN A 11 -2.743 -6.368 4.470 1.00 0.00 N ATOM 0 H GLN A 11 -6.785 -4.416 4.536 1.00 0.00 H new ATOM 0 HA GLN A 11 -4.688 -5.893 3.249 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -5.061 -5.608 5.721 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -6.497 -6.602 5.568 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -4.530 -7.851 6.382 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -5.208 -8.515 4.908 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -3.226 -5.535 4.808 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.843 -6.279 3.998 1.00 0.00 H new ATOM 196 N GLU A 12 -7.762 -6.722 2.699 1.00 0.00 N ATOM 197 CA GLU A 12 -8.588 -7.625 1.926 1.00 0.00 C ATOM 198 C GLU A 12 -8.287 -7.396 0.465 1.00 0.00 C ATOM 199 O GLU A 12 -8.514 -8.268 -0.384 1.00 0.00 O ATOM 200 CB GLU A 12 -10.086 -7.418 2.205 1.00 0.00 C ATOM 201 CG GLU A 12 -10.470 -7.542 3.673 1.00 0.00 C ATOM 202 CD GLU A 12 -11.961 -7.676 3.878 1.00 0.00 C ATOM 203 OE1 GLU A 12 -12.706 -6.694 3.709 1.00 0.00 O ATOM 204 OE2 GLU A 12 -12.423 -8.796 4.184 1.00 0.00 O ATOM 0 H GLU A 12 -8.256 -5.926 3.102 1.00 0.00 H new ATOM 0 HA GLU A 12 -8.358 -8.652 2.211 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.378 -6.431 1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.656 -8.147 1.629 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -9.969 -8.409 4.103 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.111 -6.666 4.213 1.00 0.00 H new ATOM 211 N ILE A 13 -7.759 -6.207 0.191 1.00 0.00 N ATOM 212 CA ILE A 13 -7.340 -5.837 -1.121 1.00 0.00 C ATOM 213 C ILE A 13 -6.132 -6.614 -1.498 1.00 0.00 C ATOM 214 O ILE A 13 -6.202 -7.465 -2.348 1.00 0.00 O ATOM 215 CB ILE A 13 -6.997 -4.342 -1.246 1.00 0.00 C ATOM 216 CG1 ILE A 13 -8.178 -3.454 -0.909 1.00 0.00 C ATOM 217 CG2 ILE A 13 -6.495 -4.040 -2.629 1.00 0.00 C ATOM 218 CD1 ILE A 13 -9.426 -3.787 -1.647 1.00 0.00 C ATOM 0 H ILE A 13 -7.616 -5.480 0.892 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.180 -6.050 -1.782 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.212 -4.125 -0.521 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.374 -3.521 0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.911 -2.419 -1.120 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.256 -2.979 -2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.600 -4.629 -2.828 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.265 -4.292 -3.359 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -10.220 -3.104 -1.346 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -9.252 -3.691 -2.719 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.722 -4.811 -1.418 1.00 0.00 H new ATOM 230 N LEU A 14 -5.039 -6.346 -0.792 1.00 0.00 N ATOM 231 CA LEU A 14 -3.725 -6.953 -1.029 1.00 0.00 C ATOM 232 C LEU A 14 -3.785 -8.453 -1.207 1.00 0.00 C ATOM 233 O LEU A 14 -3.016 -9.025 -1.972 1.00 0.00 O ATOM 234 CB LEU A 14 -2.809 -6.659 0.138 1.00 0.00 C ATOM 235 CG LEU A 14 -2.098 -5.303 0.210 1.00 0.00 C ATOM 236 CD1 LEU A 14 -3.024 -4.120 -0.024 1.00 0.00 C ATOM 237 CD2 LEU A 14 -1.474 -5.180 1.561 1.00 0.00 C ATOM 0 H LEU A 14 -5.038 -5.683 -0.017 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.350 -6.517 -1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.395 -6.771 1.050 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.041 -7.433 0.155 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.356 -5.276 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.454 -3.193 0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.474 -4.200 -1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.809 -4.117 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.960 -4.222 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.248 -5.240 2.326 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.757 -5.988 1.706 1.00 0.00 H new ATOM 249 N GLU A 15 -4.683 -9.073 -0.499 1.00 0.00 N ATOM 250 CA GLU A 15 -4.816 -10.494 -0.521 1.00 0.00 C ATOM 251 C GLU A 15 -5.518 -11.041 -1.808 1.00 0.00 C ATOM 252 O GLU A 15 -5.369 -12.232 -2.145 1.00 0.00 O ATOM 253 CB GLU A 15 -5.490 -10.928 0.784 1.00 0.00 C ATOM 254 CG GLU A 15 -5.706 -12.416 0.945 1.00 0.00 C ATOM 255 CD GLU A 15 -6.216 -12.762 2.311 1.00 0.00 C ATOM 256 OE1 GLU A 15 -5.397 -12.937 3.226 1.00 0.00 O ATOM 257 OE2 GLU A 15 -7.431 -12.874 2.507 1.00 0.00 O ATOM 0 H GLU A 15 -5.347 -8.600 0.114 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.825 -10.945 -0.577 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.885 -10.574 1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.456 -10.429 0.856 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -6.415 -12.763 0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.768 -12.941 0.764 1.00 0.00 H new ATOM 264 N ASN A 16 -6.210 -10.184 -2.556 1.00 0.00 N ATOM 265 CA ASN A 16 -6.989 -10.638 -3.724 1.00 0.00 C ATOM 266 C ASN A 16 -6.888 -9.641 -4.871 1.00 0.00 C ATOM 267 O ASN A 16 -7.317 -8.511 -4.719 1.00 0.00 O ATOM 268 CB ASN A 16 -8.487 -10.740 -3.372 1.00 0.00 C ATOM 269 CG ASN A 16 -8.812 -11.611 -2.185 1.00 0.00 C ATOM 270 OD1 ASN A 16 -9.030 -12.806 -2.323 1.00 0.00 O ATOM 271 ND2 ASN A 16 -8.893 -11.019 -1.021 1.00 0.00 N ATOM 0 H ASN A 16 -6.252 -9.180 -2.383 1.00 0.00 H new ATOM 0 HA ASN A 16 -6.581 -11.607 -4.012 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -8.867 -9.737 -3.181 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -9.022 -11.124 -4.241 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -9.145 -11.557 -0.192 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -8.704 -10.020 -0.943 1.00 0.00 H new ATOM 278 N LYS A 17 -6.362 -10.058 -6.026 1.00 0.00 N ATOM 279 CA LYS A 17 -6.292 -9.181 -7.222 1.00 0.00 C ATOM 280 C LYS A 17 -7.639 -8.535 -7.596 1.00 0.00 C ATOM 281 O LYS A 17 -7.675 -7.384 -8.002 1.00 0.00 O ATOM 282 CB LYS A 17 -5.636 -9.843 -8.471 1.00 0.00 C ATOM 283 CG LYS A 17 -6.249 -11.151 -8.991 1.00 0.00 C ATOM 284 CD LYS A 17 -5.846 -12.346 -8.140 1.00 0.00 C ATOM 285 CE LYS A 17 -6.385 -13.659 -8.670 1.00 0.00 C ATOM 286 NZ LYS A 17 -5.935 -14.791 -7.833 1.00 0.00 N ATOM 0 H LYS A 17 -5.977 -10.992 -6.169 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.622 -8.383 -6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.655 -9.117 -9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.588 -10.033 -8.238 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -7.335 -11.063 -9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.932 -11.316 -10.021 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.758 -12.400 -8.091 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.204 -12.197 -7.121 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.474 -13.628 -8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.051 -13.806 -9.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.317 -15.679 -8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.896 -14.832 -7.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.275 -14.659 -6.859 1.00 0.00 H new ATOM 300 N ARG A 18 -8.746 -9.257 -7.422 1.00 0.00 N ATOM 301 CA ARG A 18 -10.069 -8.678 -7.707 1.00 0.00 C ATOM 302 C ARG A 18 -10.393 -7.547 -6.716 1.00 0.00 C ATOM 303 O ARG A 18 -11.079 -6.574 -7.046 1.00 0.00 O ATOM 304 CB ARG A 18 -11.171 -9.755 -7.733 1.00 0.00 C ATOM 305 CG ARG A 18 -11.387 -10.503 -6.427 1.00 0.00 C ATOM 306 CD ARG A 18 -12.330 -11.681 -6.613 1.00 0.00 C ATOM 307 NE ARG A 18 -12.441 -12.497 -5.398 1.00 0.00 N ATOM 308 CZ ARG A 18 -13.138 -13.634 -5.299 1.00 0.00 C ATOM 309 NH1 ARG A 18 -13.830 -14.091 -6.333 1.00 0.00 N ATOM 310 NH2 ARG A 18 -13.139 -14.305 -4.162 1.00 0.00 N ATOM 0 H ARG A 18 -8.761 -10.222 -7.093 1.00 0.00 H new ATOM 0 HA ARG A 18 -10.036 -8.244 -8.706 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.110 -9.282 -8.020 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -10.928 -10.479 -8.510 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.429 -10.858 -6.046 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -11.795 -9.823 -5.679 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.317 -11.314 -6.894 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.975 -12.302 -7.435 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.949 -12.172 -4.566 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.834 -13.575 -7.213 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.359 -14.959 -6.249 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.609 -13.956 -3.363 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.669 -15.173 -4.082 1.00 0.00 H new ATOM 324 N LEU A 19 -9.858 -7.649 -5.520 1.00 0.00 N ATOM 325 CA LEU A 19 -10.040 -6.608 -4.552 1.00 0.00 C ATOM 326 C LEU A 19 -9.071 -5.469 -4.819 1.00 0.00 C ATOM 327 O LEU A 19 -9.392 -4.323 -4.535 1.00 0.00 O ATOM 328 CB LEU A 19 -9.990 -7.092 -3.097 1.00 0.00 C ATOM 329 CG LEU A 19 -11.278 -7.696 -2.482 1.00 0.00 C ATOM 330 CD1 LEU A 19 -12.365 -6.643 -2.384 1.00 0.00 C ATOM 331 CD2 LEU A 19 -11.786 -8.887 -3.264 1.00 0.00 C ATOM 0 H LEU A 19 -9.298 -8.440 -5.202 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.057 -6.236 -4.676 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.202 -7.841 -3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.688 -6.249 -2.476 1.00 0.00 H new ATOM 0 HG LEU A 19 -11.017 -8.045 -1.483 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.262 -7.085 -1.950 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.022 -5.824 -1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.594 -6.262 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.690 -9.273 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -12.012 -8.582 -4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.023 -9.665 -3.278 1.00 0.00 H new ATOM 343 N LEU A 20 -7.899 -5.778 -5.421 1.00 0.00 N ATOM 344 CA LEU A 20 -6.984 -4.723 -5.903 1.00 0.00 C ATOM 345 C LEU A 20 -7.783 -3.856 -6.829 1.00 0.00 C ATOM 346 O LEU A 20 -7.918 -2.646 -6.628 1.00 0.00 O ATOM 347 CB LEU A 20 -5.739 -5.301 -6.644 1.00 0.00 C ATOM 348 CG LEU A 20 -4.451 -5.580 -5.823 1.00 0.00 C ATOM 349 CD1 LEU A 20 -4.641 -6.645 -4.779 1.00 0.00 C ATOM 350 CD2 LEU A 20 -3.316 -5.965 -6.739 1.00 0.00 C ATOM 0 H LEU A 20 -7.571 -6.730 -5.581 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.592 -4.162 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -6.039 -6.236 -7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -5.478 -4.608 -7.444 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.211 -4.654 -5.301 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.707 -6.795 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.419 -6.335 -4.081 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.936 -7.578 -5.260 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.421 -6.157 -6.148 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.585 -6.864 -7.293 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -3.121 -5.152 -7.439 1.00 0.00 H new ATOM 362 N GLU A 21 -8.426 -4.532 -7.749 1.00 0.00 N ATOM 363 CA GLU A 21 -9.339 -3.953 -8.699 1.00 0.00 C ATOM 364 C GLU A 21 -10.459 -3.149 -8.015 1.00 0.00 C ATOM 365 O GLU A 21 -10.903 -2.123 -8.550 1.00 0.00 O ATOM 366 CB GLU A 21 -9.944 -5.069 -9.530 1.00 0.00 C ATOM 367 CG GLU A 21 -8.974 -5.725 -10.483 1.00 0.00 C ATOM 368 CD GLU A 21 -8.473 -4.751 -11.504 1.00 0.00 C ATOM 369 OE1 GLU A 21 -9.252 -4.326 -12.365 1.00 0.00 O ATOM 370 OE2 GLU A 21 -7.284 -4.377 -11.470 1.00 0.00 O ATOM 0 H GLU A 21 -8.322 -5.541 -7.859 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.783 -3.258 -9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.348 -5.828 -8.860 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.782 -4.669 -10.100 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.133 -6.135 -9.924 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.462 -6.561 -10.984 1.00 0.00 H new ATOM 377 N SER A 22 -10.875 -3.585 -6.826 1.00 0.00 N ATOM 378 CA SER A 22 -11.955 -2.939 -6.121 1.00 0.00 C ATOM 379 C SER A 22 -11.538 -1.554 -5.540 1.00 0.00 C ATOM 380 O SER A 22 -12.169 -0.537 -5.868 1.00 0.00 O ATOM 381 CB SER A 22 -12.570 -3.888 -5.059 1.00 0.00 C ATOM 382 OG SER A 22 -12.918 -5.138 -5.654 1.00 0.00 O ATOM 0 H SER A 22 -10.472 -4.386 -6.339 1.00 0.00 H new ATOM 0 HA SER A 22 -12.742 -2.722 -6.843 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.858 -4.049 -4.249 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.455 -3.428 -4.619 1.00 0.00 H new ATOM 0 HG SER A 22 -12.167 -5.464 -6.193 1.00 0.00 H new ATOM 388 N TYR A 23 -10.448 -1.465 -4.730 1.00 0.00 N ATOM 389 CA TYR A 23 -10.106 -0.133 -4.181 1.00 0.00 C ATOM 390 C TYR A 23 -9.161 0.645 -5.107 1.00 0.00 C ATOM 391 O TYR A 23 -8.634 1.706 -4.758 1.00 0.00 O ATOM 392 CB TYR A 23 -9.653 -0.104 -2.649 1.00 0.00 C ATOM 393 CG TYR A 23 -8.148 -0.296 -2.273 1.00 0.00 C ATOM 394 CD1 TYR A 23 -7.179 -0.716 -3.184 1.00 0.00 C ATOM 395 CD2 TYR A 23 -7.716 -0.007 -0.966 1.00 0.00 C ATOM 396 CE1 TYR A 23 -5.847 -0.841 -2.812 1.00 0.00 C ATOM 397 CE2 TYR A 23 -6.381 -0.134 -0.584 1.00 0.00 C ATOM 398 CZ TYR A 23 -5.455 -0.552 -1.518 1.00 0.00 C ATOM 399 OH TYR A 23 -4.137 -0.686 -1.162 1.00 0.00 O ATOM 0 H TYR A 23 -9.836 -2.236 -4.461 1.00 0.00 H new ATOM 0 HA TYR A 23 -11.057 0.400 -4.159 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -9.970 0.853 -2.236 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -10.218 -0.878 -2.130 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.470 -0.948 -4.198 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.440 0.323 -0.236 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -5.114 -1.165 -3.536 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.076 0.091 0.427 1.00 0.00 H new ATOM 0 HH TYR A 23 -3.569 -0.517 -1.942 1.00 0.00 H new ATOM 409 N MET A 24 -8.973 0.128 -6.309 1.00 0.00 N ATOM 410 CA MET A 24 -8.178 0.824 -7.316 1.00 0.00 C ATOM 411 C MET A 24 -8.692 2.206 -7.645 1.00 0.00 C ATOM 412 O MET A 24 -7.979 2.988 -8.202 1.00 0.00 O ATOM 413 CB MET A 24 -7.881 0.018 -8.572 1.00 0.00 C ATOM 414 CG MET A 24 -6.592 -0.778 -8.472 1.00 0.00 C ATOM 415 SD MET A 24 -5.178 0.282 -8.137 1.00 0.00 S ATOM 416 CE MET A 24 -3.867 -0.934 -8.048 1.00 0.00 C ATOM 0 H MET A 24 -9.356 -0.767 -6.614 1.00 0.00 H new ATOM 0 HA MET A 24 -7.215 0.952 -6.823 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.709 -0.664 -8.764 1.00 0.00 H new ATOM 0 HB3 MET A 24 -7.820 0.694 -9.425 1.00 0.00 H new ATOM 0 HG2 MET A 24 -6.684 -1.522 -7.681 1.00 0.00 H new ATOM 0 HG3 MET A 24 -6.427 -1.321 -9.402 1.00 0.00 H new ATOM 0 HE1 MET A 24 -2.920 -0.434 -7.845 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.082 -1.643 -7.248 1.00 0.00 H new ATOM 0 HE3 MET A 24 -3.800 -1.467 -8.997 1.00 0.00 H new ATOM 426 N ASP A 25 -9.955 2.471 -7.361 1.00 0.00 N ATOM 427 CA ASP A 25 -10.544 3.819 -7.544 1.00 0.00 C ATOM 428 C ASP A 25 -9.766 4.864 -6.810 1.00 0.00 C ATOM 429 O ASP A 25 -9.306 5.825 -7.378 1.00 0.00 O ATOM 430 CB ASP A 25 -11.935 3.851 -6.989 1.00 0.00 C ATOM 431 CG ASP A 25 -12.528 5.249 -6.870 1.00 0.00 C ATOM 432 OD1 ASP A 25 -12.667 5.945 -7.884 1.00 0.00 O ATOM 433 OD2 ASP A 25 -12.870 5.654 -5.739 1.00 0.00 O ATOM 0 H ASP A 25 -10.609 1.777 -7.000 1.00 0.00 H new ATOM 0 HA ASP A 25 -10.532 4.025 -8.614 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.582 3.247 -7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.932 3.385 -6.004 1.00 0.00 H new ATOM 438 N CYS A 26 -9.609 4.639 -5.564 1.00 0.00 N ATOM 439 CA CYS A 26 -8.996 5.579 -4.717 1.00 0.00 C ATOM 440 C CYS A 26 -7.488 5.569 -4.837 1.00 0.00 C ATOM 441 O CYS A 26 -6.843 6.597 -4.628 1.00 0.00 O ATOM 442 CB CYS A 26 -9.501 5.366 -3.303 1.00 0.00 C ATOM 443 SG CYS A 26 -9.590 3.630 -2.773 1.00 0.00 S ATOM 0 H CYS A 26 -9.908 3.783 -5.097 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.277 6.586 -5.026 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -8.851 5.907 -2.616 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -10.494 5.808 -3.217 1.00 0.00 H new ATOM 448 N VAL A 27 -6.915 4.417 -5.149 1.00 0.00 N ATOM 449 CA VAL A 27 -5.477 4.358 -5.333 1.00 0.00 C ATOM 450 C VAL A 27 -5.025 4.823 -6.744 1.00 0.00 C ATOM 451 O VAL A 27 -4.212 5.729 -6.866 1.00 0.00 O ATOM 452 CB VAL A 27 -4.925 2.940 -5.018 1.00 0.00 C ATOM 453 CG1 VAL A 27 -3.414 2.865 -5.234 1.00 0.00 C ATOM 454 CG2 VAL A 27 -5.267 2.561 -3.586 1.00 0.00 C ATOM 0 H VAL A 27 -7.409 3.534 -5.277 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.052 5.064 -4.619 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.394 2.235 -5.704 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.063 1.859 -5.004 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.183 3.101 -6.273 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.917 3.581 -4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.878 1.566 -3.370 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.819 3.282 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.349 2.563 -3.458 1.00 0.00 H new ATOM 464 N LEU A 28 -5.558 4.211 -7.798 1.00 0.00 N ATOM 465 CA LEU A 28 -5.129 4.544 -9.161 1.00 0.00 C ATOM 466 C LEU A 28 -6.165 5.407 -9.909 1.00 0.00 C ATOM 467 O LEU A 28 -5.817 6.278 -10.711 1.00 0.00 O ATOM 468 CB LEU A 28 -4.843 3.249 -9.935 1.00 0.00 C ATOM 469 CG LEU A 28 -4.191 3.395 -11.311 1.00 0.00 C ATOM 470 CD1 LEU A 28 -2.807 4.017 -11.189 1.00 0.00 C ATOM 471 CD2 LEU A 28 -4.111 2.046 -12.008 1.00 0.00 C ATOM 0 H LEU A 28 -6.278 3.491 -7.741 1.00 0.00 H new ATOM 0 HA LEU A 28 -4.220 5.141 -9.091 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.199 2.621 -9.319 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -5.784 2.714 -10.061 1.00 0.00 H new ATOM 0 HG LEU A 28 -4.810 4.059 -11.914 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.362 4.111 -12.180 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.890 5.004 -10.733 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.176 3.382 -10.567 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.645 2.169 -12.985 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.516 1.360 -11.405 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.115 1.641 -12.133 1.00 0.00 H new ATOM 483 N GLY A 29 -7.422 5.163 -9.624 1.00 0.00 N ATOM 484 CA GLY A 29 -8.511 5.838 -10.300 1.00 0.00 C ATOM 485 C GLY A 29 -9.294 4.884 -11.197 1.00 0.00 C ATOM 486 O GLY A 29 -9.497 5.168 -12.374 1.00 0.00 O ATOM 0 H GLY A 29 -7.722 4.491 -8.917 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.182 6.277 -9.561 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.115 6.659 -10.899 1.00 0.00 H new ATOM 490 N LYS A 30 -9.709 3.724 -10.652 1.00 0.00 N ATOM 491 CA LYS A 30 -10.447 2.737 -11.455 1.00 0.00 C ATOM 492 C LYS A 30 -11.873 2.420 -10.930 1.00 0.00 C ATOM 493 O LYS A 30 -12.858 2.886 -11.501 1.00 0.00 O ATOM 494 CB LYS A 30 -9.656 1.434 -11.630 1.00 0.00 C ATOM 495 CG LYS A 30 -8.248 1.621 -12.180 1.00 0.00 C ATOM 496 CD LYS A 30 -7.730 0.375 -12.918 1.00 0.00 C ATOM 497 CE LYS A 30 -7.765 -0.893 -12.079 1.00 0.00 C ATOM 498 NZ LYS A 30 -7.274 -2.059 -12.841 1.00 0.00 N ATOM 0 H LYS A 30 -9.549 3.454 -9.682 1.00 0.00 H new ATOM 0 HA LYS A 30 -10.571 3.219 -12.425 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.592 0.930 -10.666 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.209 0.774 -12.299 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.238 2.472 -12.861 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.571 1.861 -11.360 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.327 0.222 -13.817 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.706 0.556 -13.243 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.155 -0.757 -11.186 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -8.785 -1.080 -11.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.974 -2.804 -12.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.035 -2.422 -13.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.466 -1.773 -13.430 1.00 0.00 H new ATOM 512 N GLY A 31 -11.962 1.623 -9.845 1.00 0.00 N ATOM 513 CA GLY A 31 -13.271 1.143 -9.318 1.00 0.00 C ATOM 514 C GLY A 31 -14.061 2.202 -8.563 1.00 0.00 C ATOM 515 O GLY A 31 -14.286 3.288 -9.082 1.00 0.00 O ATOM 0 H GLY A 31 -11.154 1.296 -9.315 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -13.874 0.779 -10.150 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -13.095 0.295 -8.656 1.00 0.00 H new ATOM 519 N LYS A 32 -14.454 1.915 -7.319 1.00 0.00 N ATOM 520 CA LYS A 32 -15.183 2.905 -6.514 1.00 0.00 C ATOM 521 C LYS A 32 -14.956 2.747 -4.995 1.00 0.00 C ATOM 522 O LYS A 32 -15.348 1.773 -4.403 1.00 0.00 O ATOM 523 CB LYS A 32 -16.690 2.923 -6.857 1.00 0.00 C ATOM 524 CG LYS A 32 -17.388 1.568 -6.752 1.00 0.00 C ATOM 525 CD LYS A 32 -18.887 1.677 -7.022 1.00 0.00 C ATOM 526 CE LYS A 32 -19.206 2.178 -8.433 1.00 0.00 C ATOM 527 NZ LYS A 32 -18.745 1.252 -9.489 1.00 0.00 N ATOM 0 H LYS A 32 -14.285 1.024 -6.852 1.00 0.00 H new ATOM 0 HA LYS A 32 -14.763 3.873 -6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -17.191 3.626 -6.192 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -16.813 3.301 -7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.941 0.873 -7.463 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -17.228 1.153 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -19.349 0.700 -6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -19.334 2.353 -6.293 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -20.282 2.322 -8.527 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -18.740 3.152 -8.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -19.032 1.616 -10.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -17.709 1.172 -9.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -19.170 0.315 -9.338 1.00 0.00 H new ATOM 541 N CYS A 33 -14.268 3.695 -4.409 1.00 0.00 N ATOM 542 CA CYS A 33 -14.096 3.780 -2.962 1.00 0.00 C ATOM 543 C CYS A 33 -14.917 4.990 -2.461 1.00 0.00 C ATOM 544 O CYS A 33 -15.671 5.585 -3.236 1.00 0.00 O ATOM 545 CB CYS A 33 -12.621 4.033 -2.608 1.00 0.00 C ATOM 546 SG CYS A 33 -11.400 2.977 -3.466 1.00 0.00 S ATOM 0 H CYS A 33 -13.802 4.444 -4.921 1.00 0.00 H new ATOM 0 HA CYS A 33 -14.422 2.846 -2.503 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.389 5.075 -2.827 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.497 3.898 -1.533 1.00 0.00 H new ATOM 551 N THR A 34 -14.802 5.333 -1.186 1.00 0.00 N ATOM 552 CA THR A 34 -15.404 6.548 -0.665 1.00 0.00 C ATOM 553 C THR A 34 -14.313 7.597 -0.384 1.00 0.00 C ATOM 554 O THR A 34 -13.112 7.246 -0.350 1.00 0.00 O ATOM 555 CB THR A 34 -16.181 6.255 0.627 1.00 0.00 C ATOM 556 OG1 THR A 34 -15.416 5.357 1.449 1.00 0.00 O ATOM 557 CG2 THR A 34 -17.548 5.681 0.320 1.00 0.00 C ATOM 0 H THR A 34 -14.295 4.783 -0.492 1.00 0.00 H new ATOM 0 HA THR A 34 -16.097 6.936 -1.412 1.00 0.00 H new ATOM 0 HB THR A 34 -16.336 7.188 1.169 1.00 0.00 H new ATOM 0 HG1 THR A 34 -16.017 4.708 1.871 1.00 0.00 H new ATOM 0 HG21 THR A 34 -18.077 5.483 1.252 1.00 0.00 H new ATOM 0 HG22 THR A 34 -18.117 6.395 -0.275 1.00 0.00 H new ATOM 0 HG23 THR A 34 -17.435 4.752 -0.238 1.00 0.00 H new ATOM 565 N PRO A 35 -14.688 8.899 -0.230 1.00 0.00 N ATOM 566 CA PRO A 35 -13.750 9.977 0.131 1.00 0.00 C ATOM 567 C PRO A 35 -12.922 9.645 1.383 1.00 0.00 C ATOM 568 O PRO A 35 -11.705 9.805 1.371 1.00 0.00 O ATOM 569 CB PRO A 35 -14.651 11.201 0.379 1.00 0.00 C ATOM 570 CG PRO A 35 -16.052 10.682 0.358 1.00 0.00 C ATOM 571 CD PRO A 35 -16.034 9.439 -0.472 1.00 0.00 C ATOM 0 HA PRO A 35 -13.014 10.141 -0.656 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.421 11.669 1.336 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.503 11.959 -0.390 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -16.401 10.468 1.368 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -16.733 11.421 -0.065 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -16.811 8.738 -0.166 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -16.198 9.656 -1.527 1.00 0.00 H new ATOM 579 N GLU A 36 -13.587 9.125 2.438 1.00 0.00 N ATOM 580 CA GLU A 36 -12.905 8.736 3.695 1.00 0.00 C ATOM 581 C GLU A 36 -11.834 7.691 3.390 1.00 0.00 C ATOM 582 O GLU A 36 -10.751 7.665 4.000 1.00 0.00 O ATOM 583 CB GLU A 36 -13.913 8.154 4.717 1.00 0.00 C ATOM 584 CG GLU A 36 -14.531 6.828 4.283 1.00 0.00 C ATOM 585 CD GLU A 36 -15.484 6.224 5.282 1.00 0.00 C ATOM 586 OE1 GLU A 36 -16.619 6.698 5.393 1.00 0.00 O ATOM 587 OE2 GLU A 36 -15.134 5.201 5.926 1.00 0.00 O ATOM 0 H GLU A 36 -14.594 8.965 2.445 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.448 9.626 4.128 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.408 8.014 5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -14.710 8.879 4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -15.059 6.979 3.342 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.730 6.115 4.088 1.00 0.00 H new ATOM 594 N GLY A 37 -12.153 6.848 2.410 1.00 0.00 N ATOM 595 CA GLY A 37 -11.288 5.817 1.990 1.00 0.00 C ATOM 596 C GLY A 37 -10.081 6.371 1.321 1.00 0.00 C ATOM 597 O GLY A 37 -8.982 5.936 1.592 1.00 0.00 O ATOM 0 H GLY A 37 -13.034 6.886 1.898 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.988 5.217 2.849 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.815 5.152 1.305 1.00 0.00 H new ATOM 601 N LYS A 38 -10.278 7.357 0.469 1.00 0.00 N ATOM 602 CA LYS A 38 -9.178 7.969 -0.249 1.00 0.00 C ATOM 603 C LYS A 38 -8.201 8.624 0.700 1.00 0.00 C ATOM 604 O LYS A 38 -7.008 8.571 0.478 1.00 0.00 O ATOM 605 CB LYS A 38 -9.657 8.975 -1.312 1.00 0.00 C ATOM 606 CG LYS A 38 -10.652 8.381 -2.284 1.00 0.00 C ATOM 607 CD LYS A 38 -10.721 9.130 -3.606 1.00 0.00 C ATOM 608 CE LYS A 38 -11.165 10.558 -3.440 1.00 0.00 C ATOM 609 NZ LYS A 38 -11.255 11.259 -4.734 1.00 0.00 N ATOM 0 H LYS A 38 -11.194 7.753 0.256 1.00 0.00 H new ATOM 0 HA LYS A 38 -8.664 7.164 -0.774 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.111 9.832 -0.814 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.795 9.348 -1.866 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.386 7.342 -2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -11.640 8.377 -1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -9.740 9.111 -4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -11.410 8.615 -4.276 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.136 10.581 -2.946 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.465 11.083 -2.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -11.564 12.240 -4.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.322 11.259 -5.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.942 10.773 -5.345 1.00 0.00 H new ATOM 623 N GLU A 39 -8.707 9.140 1.813 1.00 0.00 N ATOM 624 CA GLU A 39 -7.874 9.838 2.746 1.00 0.00 C ATOM 625 C GLU A 39 -7.038 8.837 3.490 1.00 0.00 C ATOM 626 O GLU A 39 -5.805 8.973 3.586 1.00 0.00 O ATOM 627 CB GLU A 39 -8.705 10.611 3.758 1.00 0.00 C ATOM 628 CG GLU A 39 -9.693 11.598 3.182 1.00 0.00 C ATOM 629 CD GLU A 39 -10.409 12.352 4.275 1.00 0.00 C ATOM 630 OE1 GLU A 39 -11.238 11.750 4.999 1.00 0.00 O ATOM 631 OE2 GLU A 39 -10.117 13.555 4.478 1.00 0.00 O ATOM 0 H GLU A 39 -9.690 9.081 2.079 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.252 10.541 2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.251 9.896 4.373 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.027 11.149 4.421 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.172 12.301 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.420 11.071 2.564 1.00 0.00 H new ATOM 638 N LEU A 40 -7.704 7.800 3.980 1.00 0.00 N ATOM 639 CA LEU A 40 -7.050 6.815 4.796 1.00 0.00 C ATOM 640 C LEU A 40 -5.975 6.053 4.000 1.00 0.00 C ATOM 641 O LEU A 40 -4.860 5.871 4.476 1.00 0.00 O ATOM 642 CB LEU A 40 -8.105 5.883 5.461 1.00 0.00 C ATOM 643 CG LEU A 40 -8.736 4.735 4.636 1.00 0.00 C ATOM 644 CD1 LEU A 40 -7.881 3.471 4.684 1.00 0.00 C ATOM 645 CD2 LEU A 40 -10.135 4.432 5.112 1.00 0.00 C ATOM 0 H LEU A 40 -8.697 7.629 3.820 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.516 7.316 5.604 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.639 5.436 6.339 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.919 6.514 5.819 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.783 5.073 3.601 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.356 2.688 4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.893 3.684 4.276 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.782 3.137 5.717 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.555 3.622 4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.106 4.134 6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.756 5.321 5.005 1.00 0.00 H new ATOM 657 N LYS A 41 -6.294 5.691 2.769 1.00 0.00 N ATOM 658 CA LYS A 41 -5.393 4.898 1.935 1.00 0.00 C ATOM 659 C LYS A 41 -4.252 5.726 1.411 1.00 0.00 C ATOM 660 O LYS A 41 -3.158 5.211 1.236 1.00 0.00 O ATOM 661 CB LYS A 41 -6.165 4.277 0.796 1.00 0.00 C ATOM 662 CG LYS A 41 -7.272 3.397 1.284 1.00 0.00 C ATOM 663 CD LYS A 41 -8.323 3.233 0.252 1.00 0.00 C ATOM 664 CE LYS A 41 -9.537 2.558 0.829 1.00 0.00 C ATOM 665 NZ LYS A 41 -10.659 2.592 -0.113 1.00 0.00 N ATOM 0 H LYS A 41 -7.176 5.934 2.318 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.965 4.108 2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.579 5.065 0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.486 3.694 0.173 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.871 2.421 1.556 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.709 3.825 2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.600 4.208 -0.150 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.934 2.644 -0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -9.298 1.524 1.077 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -9.823 3.051 1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -11.464 3.085 0.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.372 3.095 -0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -10.938 1.620 -0.355 1.00 0.00 H new ATOM 679 N ASP A 42 -4.503 7.011 1.173 1.00 0.00 N ATOM 680 CA ASP A 42 -3.455 7.921 0.702 1.00 0.00 C ATOM 681 C ASP A 42 -2.357 7.955 1.735 1.00 0.00 C ATOM 682 O ASP A 42 -1.203 7.743 1.434 1.00 0.00 O ATOM 683 CB ASP A 42 -4.010 9.343 0.499 1.00 0.00 C ATOM 684 CG ASP A 42 -3.008 10.324 -0.103 1.00 0.00 C ATOM 685 OD1 ASP A 42 -2.141 10.850 0.634 1.00 0.00 O ATOM 686 OD2 ASP A 42 -3.111 10.635 -1.308 1.00 0.00 O ATOM 0 H ASP A 42 -5.417 7.447 1.297 1.00 0.00 H new ATOM 0 HA ASP A 42 -3.075 7.565 -0.256 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.885 9.291 -0.149 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.348 9.730 1.460 1.00 0.00 H new ATOM 691 N HIS A 43 -2.760 8.124 2.981 1.00 0.00 N ATOM 692 CA HIS A 43 -1.820 8.219 4.089 1.00 0.00 C ATOM 693 C HIS A 43 -1.197 6.859 4.439 1.00 0.00 C ATOM 694 O HIS A 43 0.010 6.765 4.679 1.00 0.00 O ATOM 695 CB HIS A 43 -2.493 8.824 5.342 1.00 0.00 C ATOM 696 CG HIS A 43 -2.958 10.241 5.179 1.00 0.00 C ATOM 697 ND1 HIS A 43 -4.272 10.629 5.306 1.00 0.00 N ATOM 698 CD2 HIS A 43 -2.271 11.366 4.901 1.00 0.00 C ATOM 699 CE1 HIS A 43 -4.365 11.923 5.106 1.00 0.00 C ATOM 700 NE2 HIS A 43 -3.167 12.398 4.854 1.00 0.00 N ATOM 0 H HIS A 43 -3.740 8.199 3.255 1.00 0.00 H new ATOM 0 HA HIS A 43 -1.019 8.882 3.760 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -3.347 8.204 5.614 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -1.789 8.780 6.173 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -5.052 10.008 5.522 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -1.205 11.440 4.744 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.276 12.501 5.143 1.00 0.00 H new ATOM 709 N LEU A 44 -2.004 5.819 4.443 1.00 0.00 N ATOM 710 CA LEU A 44 -1.553 4.503 4.872 1.00 0.00 C ATOM 711 C LEU A 44 -0.716 3.777 3.798 1.00 0.00 C ATOM 712 O LEU A 44 0.345 3.237 4.102 1.00 0.00 O ATOM 713 CB LEU A 44 -2.750 3.690 5.382 1.00 0.00 C ATOM 714 CG LEU A 44 -2.474 2.340 6.039 1.00 0.00 C ATOM 715 CD1 LEU A 44 -3.587 2.039 7.011 1.00 0.00 C ATOM 716 CD2 LEU A 44 -2.405 1.231 4.993 1.00 0.00 C ATOM 0 H LEU A 44 -2.981 5.856 4.153 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.860 4.625 5.705 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.290 4.306 6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.421 3.520 4.540 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.516 2.386 6.556 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.403 1.076 7.488 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.627 2.819 7.771 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.537 2.003 6.477 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.207 0.279 5.485 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.354 1.174 4.460 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.604 1.447 4.286 1.00 0.00 H new ATOM 728 N GLN A 45 -1.170 3.769 2.564 1.00 0.00 N ATOM 729 CA GLN A 45 -0.379 3.189 1.485 1.00 0.00 C ATOM 730 C GLN A 45 0.879 4.032 1.195 1.00 0.00 C ATOM 731 O GLN A 45 1.882 3.513 0.702 1.00 0.00 O ATOM 732 CB GLN A 45 -1.211 2.871 0.220 1.00 0.00 C ATOM 733 CG GLN A 45 -1.755 1.411 0.130 1.00 0.00 C ATOM 734 CD GLN A 45 -2.596 0.942 1.326 1.00 0.00 C ATOM 735 OE1 GLN A 45 -3.257 1.737 1.979 1.00 0.00 O ATOM 736 NE2 GLN A 45 -2.613 -0.378 1.580 1.00 0.00 N ATOM 0 H GLN A 45 -2.071 4.151 2.278 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.031 2.217 1.835 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.055 3.559 0.178 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -0.596 3.067 -0.658 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.359 1.322 -0.773 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.909 0.733 0.016 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -2.049 -1.013 1.015 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -3.190 -0.744 2.337 1.00 0.00 H new ATOM 745 N GLU A 46 0.834 5.336 1.513 1.00 0.00 N ATOM 746 CA GLU A 46 2.045 6.174 1.459 1.00 0.00 C ATOM 747 C GLU A 46 3.020 5.688 2.511 1.00 0.00 C ATOM 748 O GLU A 46 4.226 5.640 2.291 1.00 0.00 O ATOM 749 CB GLU A 46 1.719 7.641 1.723 1.00 0.00 C ATOM 750 CG GLU A 46 2.921 8.561 1.716 1.00 0.00 C ATOM 751 CD GLU A 46 2.572 9.965 2.099 1.00 0.00 C ATOM 752 OE1 GLU A 46 2.098 10.730 1.244 1.00 0.00 O ATOM 753 OE2 GLU A 46 2.790 10.344 3.256 1.00 0.00 O ATOM 0 H GLU A 46 -0.011 5.827 1.805 1.00 0.00 H new ATOM 0 HA GLU A 46 2.477 6.095 0.461 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.010 7.984 0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.221 7.721 2.689 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.673 8.176 2.405 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.369 8.560 0.722 1.00 0.00 H new ATOM 760 N ALA A 47 2.482 5.297 3.646 1.00 0.00 N ATOM 761 CA ALA A 47 3.277 4.789 4.730 1.00 0.00 C ATOM 762 C ALA A 47 3.949 3.482 4.326 1.00 0.00 C ATOM 763 O ALA A 47 5.048 3.178 4.781 1.00 0.00 O ATOM 764 CB ALA A 47 2.439 4.630 5.983 1.00 0.00 C ATOM 0 H ALA A 47 1.481 5.324 3.838 1.00 0.00 H new ATOM 0 HA ALA A 47 4.063 5.509 4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.061 4.244 6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.029 5.598 6.272 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.623 3.933 5.789 1.00 0.00 H new ATOM 770 N LEU A 48 3.284 2.761 3.448 1.00 0.00 N ATOM 771 CA LEU A 48 3.779 1.530 2.869 1.00 0.00 C ATOM 772 C LEU A 48 4.955 1.796 1.920 1.00 0.00 C ATOM 773 O LEU A 48 6.049 1.290 2.127 1.00 0.00 O ATOM 774 CB LEU A 48 2.585 0.805 2.147 1.00 0.00 C ATOM 775 CG LEU A 48 2.860 -0.404 1.194 1.00 0.00 C ATOM 776 CD1 LEU A 48 1.591 -1.179 1.002 1.00 0.00 C ATOM 777 CD2 LEU A 48 3.299 0.053 -0.188 1.00 0.00 C ATOM 0 H LEU A 48 2.359 3.022 3.108 1.00 0.00 H new ATOM 0 HA LEU A 48 4.166 0.879 3.653 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.902 0.457 2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.052 1.559 1.567 1.00 0.00 H new ATOM 0 HG LEU A 48 3.647 -1.002 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.777 -2.023 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.239 -1.546 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.832 -0.532 0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.480 -0.817 -0.819 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.517 0.668 -0.633 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.216 0.637 -0.104 1.00 0.00 H new ATOM 789 N GLU A 49 4.723 2.627 0.919 1.00 0.00 N ATOM 790 CA GLU A 49 5.696 2.830 -0.148 1.00 0.00 C ATOM 791 C GLU A 49 6.710 3.873 0.242 1.00 0.00 C ATOM 792 O GLU A 49 7.894 3.583 0.428 1.00 0.00 O ATOM 793 CB GLU A 49 4.954 3.246 -1.442 1.00 0.00 C ATOM 794 CG GLU A 49 5.788 3.266 -2.735 1.00 0.00 C ATOM 795 CD GLU A 49 6.918 4.274 -2.769 1.00 0.00 C ATOM 796 OE1 GLU A 49 6.684 5.471 -2.532 1.00 0.00 O ATOM 797 OE2 GLU A 49 8.072 3.868 -3.027 1.00 0.00 O ATOM 0 H GLU A 49 3.868 3.175 0.820 1.00 0.00 H new ATOM 0 HA GLU A 49 6.233 1.898 -0.324 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.115 2.566 -1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.535 4.241 -1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.207 2.272 -2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.121 3.466 -3.573 1.00 0.00 H new ATOM 804 N THR A 50 6.245 5.090 0.348 1.00 0.00 N ATOM 805 CA THR A 50 7.064 6.234 0.635 1.00 0.00 C ATOM 806 C THR A 50 7.748 6.072 1.995 1.00 0.00 C ATOM 807 O THR A 50 8.842 6.615 2.236 1.00 0.00 O ATOM 808 CB THR A 50 6.175 7.474 0.573 1.00 0.00 C ATOM 809 OG1 THR A 50 5.455 7.423 -0.674 1.00 0.00 O ATOM 810 CG2 THR A 50 6.990 8.757 0.631 1.00 0.00 C ATOM 0 H THR A 50 5.257 5.317 0.233 1.00 0.00 H new ATOM 0 HA THR A 50 7.863 6.336 -0.099 1.00 0.00 H new ATOM 0 HB THR A 50 5.501 7.478 1.430 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.917 6.821 -1.294 1.00 0.00 H new ATOM 0 HG21 THR A 50 6.320 9.616 0.584 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.555 8.787 1.563 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.680 8.788 -0.212 1.00 0.00 H new ATOM 818 N GLY A 51 7.132 5.275 2.837 1.00 0.00 N ATOM 819 CA GLY A 51 7.702 4.930 4.089 1.00 0.00 C ATOM 820 C GLY A 51 7.342 5.892 5.159 1.00 0.00 C ATOM 821 O GLY A 51 8.012 6.892 5.347 1.00 0.00 O ATOM 0 H GLY A 51 6.220 4.854 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 51 7.369 3.932 4.374 1.00 0.00 H new ATOM 0 HA3 GLY A 51 8.787 4.888 3.992 1.00 0.00 H new ATOM 825 N CYS A 52 6.280 5.628 5.839 1.00 0.00 N ATOM 826 CA CYS A 52 5.906 6.448 6.956 1.00 0.00 C ATOM 827 C CYS A 52 5.623 5.588 8.164 1.00 0.00 C ATOM 828 O CYS A 52 4.490 5.205 8.434 1.00 0.00 O ATOM 829 CB CYS A 52 4.739 7.399 6.647 1.00 0.00 C ATOM 830 SG CYS A 52 4.250 8.448 8.057 1.00 0.00 S ATOM 0 H CYS A 52 5.649 4.850 5.646 1.00 0.00 H new ATOM 0 HA CYS A 52 6.755 7.094 7.178 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.016 8.039 5.809 1.00 0.00 H new ATOM 0 HB3 CYS A 52 3.878 6.811 6.328 1.00 0.00 H new ATOM 835 N GLU A 53 6.680 5.238 8.865 1.00 0.00 N ATOM 836 CA GLU A 53 6.566 4.423 10.068 1.00 0.00 C ATOM 837 C GLU A 53 6.301 5.355 11.251 1.00 0.00 C ATOM 838 O GLU A 53 5.925 4.940 12.340 1.00 0.00 O ATOM 839 CB GLU A 53 7.864 3.624 10.255 1.00 0.00 C ATOM 840 CG GLU A 53 9.068 4.460 10.652 1.00 0.00 C ATOM 841 CD GLU A 53 10.348 3.910 10.115 1.00 0.00 C ATOM 842 OE1 GLU A 53 10.820 2.846 10.572 1.00 0.00 O ATOM 843 OE2 GLU A 53 10.895 4.518 9.185 1.00 0.00 O ATOM 0 H GLU A 53 7.635 5.504 8.626 1.00 0.00 H new ATOM 0 HA GLU A 53 5.743 3.712 9.991 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.700 2.862 11.017 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.091 3.102 9.326 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.934 5.479 10.290 1.00 0.00 H new ATOM 0 HG3 GLU A 53 9.127 4.513 11.739 1.00 0.00 H new ATOM 850 N LYS A 54 6.465 6.638 10.975 1.00 0.00 N ATOM 851 CA LYS A 54 6.271 7.700 11.936 1.00 0.00 C ATOM 852 C LYS A 54 4.822 8.183 11.917 1.00 0.00 C ATOM 853 O LYS A 54 4.475 9.161 12.578 1.00 0.00 O ATOM 854 CB LYS A 54 7.172 8.881 11.595 1.00 0.00 C ATOM 855 CG LYS A 54 6.963 9.407 10.183 1.00 0.00 C ATOM 856 CD LYS A 54 7.439 10.824 10.057 1.00 0.00 C ATOM 857 CE LYS A 54 7.246 11.359 8.652 1.00 0.00 C ATOM 858 NZ LYS A 54 7.496 12.812 8.591 1.00 0.00 N ATOM 0 H LYS A 54 6.744 6.973 10.053 1.00 0.00 H new ATOM 0 HA LYS A 54 6.516 7.309 12.924 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.989 9.686 12.306 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.213 8.581 11.714 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.499 8.776 9.474 1.00 0.00 H new ATOM 0 HG3 LYS A 54 5.906 9.351 9.924 1.00 0.00 H new ATOM 0 HD2 LYS A 54 6.898 11.454 10.763 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.494 10.878 10.325 1.00 0.00 H new ATOM 0 HE2 LYS A 54 7.920 10.843 7.969 1.00 0.00 H new ATOM 0 HE3 LYS A 54 6.230 11.148 8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.356 13.148 7.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.836 13.305 9.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 8.473 13.009 8.888 1.00 0.00 H new ATOM 872 N CYS A 55 3.998 7.517 11.148 1.00 0.00 N ATOM 873 CA CYS A 55 2.604 7.887 11.026 1.00 0.00 C ATOM 874 C CYS A 55 1.812 7.535 12.289 1.00 0.00 C ATOM 875 O CYS A 55 2.358 6.993 13.240 1.00 0.00 O ATOM 876 CB CYS A 55 1.972 7.247 9.789 1.00 0.00 C ATOM 877 SG CYS A 55 2.251 8.126 8.201 1.00 0.00 S ATOM 0 H CYS A 55 4.269 6.707 10.590 1.00 0.00 H new ATOM 0 HA CYS A 55 2.565 8.970 10.906 1.00 0.00 H new ATOM 0 HB2 CYS A 55 2.356 6.232 9.692 1.00 0.00 H new ATOM 0 HB3 CYS A 55 0.898 7.167 9.954 1.00 0.00 H new ATOM 882 N THR A 56 0.535 7.828 12.281 1.00 0.00 N ATOM 883 CA THR A 56 -0.328 7.609 13.426 1.00 0.00 C ATOM 884 C THR A 56 -0.518 6.092 13.644 1.00 0.00 C ATOM 885 O THR A 56 -0.357 5.335 12.704 1.00 0.00 O ATOM 886 CB THR A 56 -1.664 8.308 13.152 1.00 0.00 C ATOM 887 OG1 THR A 56 -1.372 9.548 12.467 1.00 0.00 O ATOM 888 CG2 THR A 56 -2.372 8.639 14.458 1.00 0.00 C ATOM 0 H THR A 56 0.057 8.229 11.474 1.00 0.00 H new ATOM 0 HA THR A 56 0.111 8.021 14.334 1.00 0.00 H new ATOM 0 HB THR A 56 -2.305 7.656 12.559 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.209 10.020 12.275 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.319 9.135 14.243 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.561 7.720 15.012 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.744 9.300 15.055 1.00 0.00 H new ATOM 896 N GLU A 57 -0.860 5.684 14.869 1.00 0.00 N ATOM 897 CA GLU A 57 -0.945 4.266 15.295 1.00 0.00 C ATOM 898 C GLU A 57 -1.604 3.313 14.269 1.00 0.00 C ATOM 899 O GLU A 57 -1.019 2.296 13.897 1.00 0.00 O ATOM 900 CB GLU A 57 -1.669 4.161 16.625 1.00 0.00 C ATOM 901 CG GLU A 57 -1.642 2.772 17.219 1.00 0.00 C ATOM 902 CD GLU A 57 -2.466 2.680 18.452 1.00 0.00 C ATOM 903 OE1 GLU A 57 -2.016 3.138 19.511 1.00 0.00 O ATOM 904 OE2 GLU A 57 -3.587 2.131 18.382 1.00 0.00 O ATOM 0 H GLU A 57 -1.093 6.338 15.617 1.00 0.00 H new ATOM 0 HA GLU A 57 0.089 3.934 15.386 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.218 4.858 17.331 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.706 4.470 16.491 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -2.008 2.056 16.484 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.613 2.495 17.449 1.00 0.00 H new ATOM 911 N ALA A 58 -2.790 3.643 13.799 1.00 0.00 N ATOM 912 CA ALA A 58 -3.490 2.752 12.869 1.00 0.00 C ATOM 913 C ALA A 58 -2.817 2.761 11.520 1.00 0.00 C ATOM 914 O ALA A 58 -2.772 1.752 10.828 1.00 0.00 O ATOM 915 CB ALA A 58 -4.958 3.117 12.734 1.00 0.00 C ATOM 0 H ALA A 58 -3.289 4.501 14.034 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.440 1.744 13.281 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.440 2.433 12.036 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.442 3.043 13.708 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.046 4.137 12.361 1.00 0.00 H new ATOM 921 N GLN A 59 -2.248 3.891 11.180 1.00 0.00 N ATOM 922 CA GLN A 59 -1.563 4.052 9.923 1.00 0.00 C ATOM 923 C GLN A 59 -0.238 3.322 9.927 1.00 0.00 C ATOM 924 O GLN A 59 0.088 2.675 8.973 1.00 0.00 O ATOM 925 CB GLN A 59 -1.340 5.517 9.591 1.00 0.00 C ATOM 926 CG GLN A 59 -2.610 6.310 9.358 1.00 0.00 C ATOM 927 CD GLN A 59 -2.336 7.768 9.056 1.00 0.00 C ATOM 928 OE1 GLN A 59 -3.141 8.629 9.367 1.00 0.00 O ATOM 929 NE2 GLN A 59 -1.210 8.055 8.443 1.00 0.00 N ATOM 0 H GLN A 59 -2.247 4.725 11.767 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.203 3.619 9.155 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.782 5.980 10.405 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.717 5.583 8.699 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -3.163 5.868 8.529 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.246 6.238 10.240 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.559 7.309 8.197 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.987 9.023 8.213 1.00 0.00 H new ATOM 938 N GLU A 60 0.516 3.425 11.016 1.00 0.00 N ATOM 939 CA GLU A 60 1.818 2.768 11.099 1.00 0.00 C ATOM 940 C GLU A 60 1.657 1.228 11.135 1.00 0.00 C ATOM 941 O GLU A 60 2.415 0.473 10.480 1.00 0.00 O ATOM 942 CB GLU A 60 2.649 3.259 12.314 1.00 0.00 C ATOM 943 CG GLU A 60 1.961 3.085 13.658 1.00 0.00 C ATOM 944 CD GLU A 60 2.876 3.282 14.834 1.00 0.00 C ATOM 945 OE1 GLU A 60 3.655 2.370 15.145 1.00 0.00 O ATOM 946 OE2 GLU A 60 2.843 4.339 15.487 1.00 0.00 O ATOM 0 H GLU A 60 0.252 3.952 11.848 1.00 0.00 H new ATOM 0 HA GLU A 60 2.370 3.042 10.200 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.596 2.720 12.332 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.885 4.314 12.174 1.00 0.00 H new ATOM 0 HG2 GLU A 60 1.136 3.793 13.728 1.00 0.00 H new ATOM 0 HG3 GLU A 60 1.529 2.086 13.708 1.00 0.00 H new ATOM 953 N LYS A 61 0.664 0.775 11.889 1.00 0.00 N ATOM 954 CA LYS A 61 0.366 -0.635 12.025 1.00 0.00 C ATOM 955 C LYS A 61 -0.169 -1.163 10.699 1.00 0.00 C ATOM 956 O LYS A 61 0.321 -2.165 10.159 1.00 0.00 O ATOM 957 CB LYS A 61 -0.664 -0.815 13.144 1.00 0.00 C ATOM 958 CG LYS A 61 -1.015 -2.256 13.491 1.00 0.00 C ATOM 959 CD LYS A 61 -2.032 -2.316 14.633 1.00 0.00 C ATOM 960 CE LYS A 61 -3.372 -1.701 14.235 1.00 0.00 C ATOM 961 NZ LYS A 61 -4.332 -1.675 15.352 1.00 0.00 N ATOM 0 H LYS A 61 0.043 1.382 12.424 1.00 0.00 H new ATOM 0 HA LYS A 61 1.265 -1.196 12.281 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.287 -0.326 14.042 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.579 -0.296 12.858 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.421 -2.756 12.612 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.111 -2.795 13.776 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -2.183 -3.354 14.931 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.635 -1.790 15.501 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.210 -0.685 13.875 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -3.797 -2.268 13.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.225 -1.249 15.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.509 -2.646 15.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.940 -1.112 16.134 1.00 0.00 H new ATOM 975 N GLY A 62 -1.131 -0.441 10.148 1.00 0.00 N ATOM 976 CA GLY A 62 -1.713 -0.811 8.890 1.00 0.00 C ATOM 977 C GLY A 62 -0.713 -0.735 7.757 1.00 0.00 C ATOM 978 O GLY A 62 -0.831 -1.473 6.775 1.00 0.00 O ATOM 0 H GLY A 62 -1.519 0.406 10.562 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.108 -1.825 8.958 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.556 -0.155 8.674 1.00 0.00 H new ATOM 982 N ALA A 63 0.269 0.153 7.890 1.00 0.00 N ATOM 983 CA ALA A 63 1.333 0.304 6.914 1.00 0.00 C ATOM 984 C ALA A 63 2.083 -0.980 6.770 1.00 0.00 C ATOM 985 O ALA A 63 2.166 -1.517 5.680 1.00 0.00 O ATOM 986 CB ALA A 63 2.299 1.406 7.304 1.00 0.00 C ATOM 0 H ALA A 63 0.345 0.789 8.684 1.00 0.00 H new ATOM 0 HA ALA A 63 0.870 0.574 5.965 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.081 1.488 6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 63 1.762 2.352 7.375 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.749 1.171 8.268 1.00 0.00 H new ATOM 992 N GLU A 64 2.584 -1.509 7.883 1.00 0.00 N ATOM 993 CA GLU A 64 3.348 -2.749 7.826 1.00 0.00 C ATOM 994 C GLU A 64 2.513 -3.945 7.371 1.00 0.00 C ATOM 995 O GLU A 64 3.017 -4.811 6.674 1.00 0.00 O ATOM 996 CB GLU A 64 4.107 -3.041 9.105 1.00 0.00 C ATOM 997 CG GLU A 64 3.281 -3.026 10.356 1.00 0.00 C ATOM 998 CD GLU A 64 4.034 -3.553 11.526 1.00 0.00 C ATOM 999 OE1 GLU A 64 4.843 -2.818 12.089 1.00 0.00 O ATOM 1000 OE2 GLU A 64 3.836 -4.715 11.906 1.00 0.00 O ATOM 0 H GLU A 64 2.478 -1.109 8.815 1.00 0.00 H new ATOM 0 HA GLU A 64 4.100 -2.585 7.054 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.580 -4.019 9.013 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.908 -2.309 9.209 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.955 -2.007 10.563 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.382 -3.623 10.204 1.00 0.00 H new ATOM 1007 N THR A 65 1.243 -3.973 7.746 1.00 0.00 N ATOM 1008 CA THR A 65 0.319 -5.011 7.281 1.00 0.00 C ATOM 1009 C THR A 65 0.171 -4.923 5.755 1.00 0.00 C ATOM 1010 O THR A 65 0.157 -5.951 5.031 1.00 0.00 O ATOM 1011 CB THR A 65 -1.037 -4.823 7.993 1.00 0.00 C ATOM 1012 OG1 THR A 65 -0.814 -4.774 9.410 1.00 0.00 O ATOM 1013 CG2 THR A 65 -2.001 -5.952 7.686 1.00 0.00 C ATOM 0 H THR A 65 0.822 -3.288 8.374 1.00 0.00 H new ATOM 0 HA THR A 65 0.704 -6.002 7.521 1.00 0.00 H new ATOM 0 HB THR A 65 -1.481 -3.895 7.633 1.00 0.00 H new ATOM 0 HG1 THR A 65 -0.495 -3.882 9.660 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.942 -5.779 8.208 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.184 -5.993 6.612 1.00 0.00 H new ATOM 0 HG23 THR A 65 -1.571 -6.897 8.017 1.00 0.00 H new ATOM 1021 N SER A 66 0.117 -3.716 5.264 1.00 0.00 N ATOM 1022 CA SER A 66 0.043 -3.498 3.869 1.00 0.00 C ATOM 1023 C SER A 66 1.385 -3.853 3.178 1.00 0.00 C ATOM 1024 O SER A 66 1.399 -4.411 2.088 1.00 0.00 O ATOM 1025 CB SER A 66 -0.414 -2.079 3.591 1.00 0.00 C ATOM 1026 OG SER A 66 -1.636 -1.823 4.269 1.00 0.00 O ATOM 0 H SER A 66 0.124 -2.866 5.828 1.00 0.00 H new ATOM 0 HA SER A 66 -0.702 -4.166 3.437 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.348 -1.372 3.918 1.00 0.00 H new ATOM 0 HB3 SER A 66 -0.545 -1.933 2.519 1.00 0.00 H new ATOM 0 HG SER A 66 -1.489 -1.867 5.237 1.00 0.00 H new ATOM 1032 N ILE A 67 2.487 -3.550 3.829 1.00 0.00 N ATOM 1033 CA ILE A 67 3.811 -3.904 3.321 1.00 0.00 C ATOM 1034 C ILE A 67 3.934 -5.430 3.203 1.00 0.00 C ATOM 1035 O ILE A 67 4.374 -5.951 2.169 1.00 0.00 O ATOM 1036 CB ILE A 67 4.935 -3.340 4.253 1.00 0.00 C ATOM 1037 CG1 ILE A 67 4.915 -1.796 4.239 1.00 0.00 C ATOM 1038 CG2 ILE A 67 6.311 -3.874 3.858 1.00 0.00 C ATOM 1039 CD1 ILE A 67 5.902 -1.136 5.186 1.00 0.00 C ATOM 0 H ILE A 67 2.500 -3.055 4.720 1.00 0.00 H new ATOM 0 HA ILE A 67 3.934 -3.458 2.334 1.00 0.00 H new ATOM 0 HB ILE A 67 4.735 -3.681 5.269 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.122 -1.453 3.225 1.00 0.00 H new ATOM 0 HG13 ILE A 67 3.910 -1.458 4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.067 -3.462 4.526 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.315 -4.961 3.933 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.534 -3.580 2.832 1.00 0.00 H new ATOM 0 HD11 ILE A 67 5.814 -0.052 5.106 1.00 0.00 H new ATOM 0 HD12 ILE A 67 5.685 -1.443 6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 67 6.916 -1.438 4.924 1.00 0.00 H new ATOM 1051 N ASP A 68 3.486 -6.124 4.247 1.00 0.00 N ATOM 1052 CA ASP A 68 3.547 -7.586 4.326 1.00 0.00 C ATOM 1053 C ASP A 68 2.879 -8.261 3.147 1.00 0.00 C ATOM 1054 O ASP A 68 3.551 -8.953 2.359 1.00 0.00 O ATOM 1055 CB ASP A 68 2.899 -8.088 5.648 1.00 0.00 C ATOM 1056 CG ASP A 68 2.691 -9.618 5.718 1.00 0.00 C ATOM 1057 OD1 ASP A 68 1.634 -10.106 5.264 1.00 0.00 O ATOM 1058 OD2 ASP A 68 3.560 -10.347 6.268 1.00 0.00 O ATOM 0 H ASP A 68 3.067 -5.687 5.068 1.00 0.00 H new ATOM 0 HA ASP A 68 4.603 -7.855 4.306 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.526 -7.780 6.485 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.934 -7.597 5.775 1.00 0.00 H new ATOM 1063 N TYR A 69 1.601 -7.992 2.933 1.00 0.00 N ATOM 1064 CA TYR A 69 0.916 -8.764 1.925 1.00 0.00 C ATOM 1065 C TYR A 69 1.222 -8.287 0.517 1.00 0.00 C ATOM 1066 O TYR A 69 1.285 -9.094 -0.402 1.00 0.00 O ATOM 1067 CB TYR A 69 -0.594 -8.873 2.152 1.00 0.00 C ATOM 1068 CG TYR A 69 -1.144 -10.229 1.768 1.00 0.00 C ATOM 1069 CD1 TYR A 69 -1.405 -10.570 0.449 1.00 0.00 C ATOM 1070 CD2 TYR A 69 -1.371 -11.186 2.745 1.00 0.00 C ATOM 1071 CE1 TYR A 69 -1.882 -11.828 0.124 1.00 0.00 C ATOM 1072 CE2 TYR A 69 -1.841 -12.436 2.426 1.00 0.00 C ATOM 1073 CZ TYR A 69 -2.093 -12.754 1.119 1.00 0.00 C ATOM 1074 OH TYR A 69 -2.562 -14.015 0.801 1.00 0.00 O ATOM 0 H TYR A 69 1.047 -7.285 3.416 1.00 0.00 H new ATOM 0 HA TYR A 69 1.317 -9.772 2.030 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -0.815 -8.680 3.202 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.101 -8.102 1.572 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -1.234 -9.845 -0.333 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -1.174 -10.943 3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.087 -12.081 -0.906 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.011 -13.166 3.204 1.00 0.00 H new ATOM 0 HH TYR A 69 -2.655 -14.546 1.620 1.00 0.00 H new ATOM 1084 N LEU A 70 1.444 -7.000 0.341 1.00 0.00 N ATOM 1085 CA LEU A 70 1.701 -6.484 -0.973 1.00 0.00 C ATOM 1086 C LEU A 70 3.022 -6.995 -1.524 1.00 0.00 C ATOM 1087 O LEU A 70 3.076 -7.407 -2.673 1.00 0.00 O ATOM 1088 CB LEU A 70 1.651 -4.967 -0.991 1.00 0.00 C ATOM 1089 CG LEU A 70 1.576 -4.360 -2.372 1.00 0.00 C ATOM 1090 CD1 LEU A 70 0.237 -4.704 -3.030 1.00 0.00 C ATOM 1091 CD2 LEU A 70 1.810 -2.863 -2.343 1.00 0.00 C ATOM 0 H LEU A 70 1.450 -6.305 1.087 1.00 0.00 H new ATOM 0 HA LEU A 70 0.909 -6.850 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.786 -4.638 -0.415 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.536 -4.581 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 70 2.376 -4.791 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.196 -4.260 -4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.139 -5.787 -3.111 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -0.578 -4.310 -2.423 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.748 -2.465 -3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.052 -2.388 -1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.799 -2.657 -1.933 1.00 0.00 H new ATOM 1103 N ILE A 71 4.063 -7.026 -0.709 1.00 0.00 N ATOM 1104 CA ILE A 71 5.348 -7.500 -1.196 1.00 0.00 C ATOM 1105 C ILE A 71 5.317 -9.013 -1.435 1.00 0.00 C ATOM 1106 O ILE A 71 5.895 -9.508 -2.408 1.00 0.00 O ATOM 1107 CB ILE A 71 6.538 -7.122 -0.255 1.00 0.00 C ATOM 1108 CG1 ILE A 71 6.644 -5.598 -0.115 1.00 0.00 C ATOM 1109 CG2 ILE A 71 7.860 -7.688 -0.792 1.00 0.00 C ATOM 1110 CD1 ILE A 71 7.789 -5.134 0.767 1.00 0.00 C ATOM 0 H ILE A 71 4.047 -6.737 0.269 1.00 0.00 H new ATOM 0 HA ILE A 71 5.522 -6.991 -2.144 1.00 0.00 H new ATOM 0 HB ILE A 71 6.345 -7.558 0.725 1.00 0.00 H new ATOM 0 HG12 ILE A 71 6.763 -5.160 -1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 71 5.708 -5.215 0.292 1.00 0.00 H new ATOM 0 HG21 ILE A 71 8.673 -7.412 -0.121 1.00 0.00 H new ATOM 0 HG22 ILE A 71 7.793 -8.774 -0.853 1.00 0.00 H new ATOM 0 HG23 ILE A 71 8.054 -7.280 -1.784 1.00 0.00 H new ATOM 0 HD11 ILE A 71 7.794 -4.045 0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 71 7.663 -5.540 1.771 1.00 0.00 H new ATOM 0 HD13 ILE A 71 8.734 -5.484 0.351 1.00 0.00 H new ATOM 1122 N LYS A 72 4.602 -9.737 -0.590 1.00 0.00 N ATOM 1123 CA LYS A 72 4.591 -11.188 -0.710 1.00 0.00 C ATOM 1124 C LYS A 72 3.640 -11.671 -1.832 1.00 0.00 C ATOM 1125 O LYS A 72 3.865 -12.725 -2.426 1.00 0.00 O ATOM 1126 CB LYS A 72 4.263 -11.845 0.652 1.00 0.00 C ATOM 1127 CG LYS A 72 2.790 -11.851 1.053 1.00 0.00 C ATOM 1128 CD LYS A 72 2.602 -11.912 2.578 1.00 0.00 C ATOM 1129 CE LYS A 72 3.380 -13.034 3.254 1.00 0.00 C ATOM 1130 NZ LYS A 72 3.193 -13.003 4.724 1.00 0.00 N ATOM 0 H LYS A 72 4.035 -9.358 0.168 1.00 0.00 H new ATOM 0 HA LYS A 72 5.592 -11.506 -1.001 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.618 -12.875 0.631 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.828 -11.329 1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.306 -10.955 0.665 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.294 -12.706 0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.909 -10.959 3.010 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.542 -12.035 2.798 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.050 -13.996 2.863 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.440 -12.940 3.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.774 -13.746 5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.483 -12.074 5.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.191 -13.168 4.950 1.00 0.00 H new ATOM 1144 N ASN A 73 2.607 -10.887 -2.145 1.00 0.00 N ATOM 1145 CA ASN A 73 1.622 -11.315 -3.148 1.00 0.00 C ATOM 1146 C ASN A 73 1.853 -10.676 -4.528 1.00 0.00 C ATOM 1147 O ASN A 73 2.045 -11.395 -5.509 1.00 0.00 O ATOM 1148 CB ASN A 73 0.193 -11.030 -2.673 1.00 0.00 C ATOM 1149 CG ASN A 73 -0.875 -11.565 -3.622 1.00 0.00 C ATOM 1150 OD1 ASN A 73 -0.681 -12.573 -4.303 1.00 0.00 O ATOM 1151 ND2 ASN A 73 -2.010 -10.922 -3.648 1.00 0.00 N ATOM 0 H ASN A 73 2.430 -9.972 -1.731 1.00 0.00 H new ATOM 0 HA ASN A 73 1.757 -12.391 -3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.049 -11.474 -1.688 1.00 0.00 H new ATOM 0 HB3 ASN A 73 0.063 -9.954 -2.560 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.769 -11.251 -4.245 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.138 -10.090 -3.072 1.00 0.00 H new ATOM 1158 N GLU A 74 1.869 -9.347 -4.606 1.00 0.00 N ATOM 1159 CA GLU A 74 2.061 -8.672 -5.887 1.00 0.00 C ATOM 1160 C GLU A 74 2.793 -7.346 -5.698 1.00 0.00 C ATOM 1161 O GLU A 74 2.188 -6.273 -5.562 1.00 0.00 O ATOM 1162 CB GLU A 74 0.732 -8.482 -6.678 1.00 0.00 C ATOM 1163 CG GLU A 74 0.925 -7.912 -8.097 1.00 0.00 C ATOM 1164 CD GLU A 74 -0.360 -7.815 -8.915 1.00 0.00 C ATOM 1165 OE1 GLU A 74 -0.912 -8.872 -9.304 1.00 0.00 O ATOM 1166 OE2 GLU A 74 -0.801 -6.687 -9.246 1.00 0.00 O ATOM 0 H GLU A 74 1.753 -8.723 -3.808 1.00 0.00 H new ATOM 0 HA GLU A 74 2.685 -9.325 -6.497 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.223 -9.443 -6.749 1.00 0.00 H new ATOM 0 HB3 GLU A 74 0.078 -7.816 -6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.369 -6.919 -8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 74 1.637 -8.539 -8.634 1.00 0.00 H new ATOM 1173 N LEU A 75 4.106 -7.444 -5.627 1.00 0.00 N ATOM 1174 CA LEU A 75 5.006 -6.291 -5.487 1.00 0.00 C ATOM 1175 C LEU A 75 4.950 -5.312 -6.671 1.00 0.00 C ATOM 1176 O LEU A 75 5.524 -4.230 -6.612 1.00 0.00 O ATOM 1177 CB LEU A 75 6.463 -6.720 -5.143 1.00 0.00 C ATOM 1178 CG LEU A 75 7.169 -7.771 -6.045 1.00 0.00 C ATOM 1179 CD1 LEU A 75 7.415 -7.263 -7.464 1.00 0.00 C ATOM 1180 CD2 LEU A 75 8.477 -8.209 -5.411 1.00 0.00 C ATOM 0 H LEU A 75 4.596 -8.338 -5.665 1.00 0.00 H new ATOM 0 HA LEU A 75 4.626 -5.730 -4.633 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.079 -5.821 -5.140 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.461 -7.108 -4.124 1.00 0.00 H new ATOM 0 HG LEU A 75 6.496 -8.624 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.910 -8.039 -8.048 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.463 -7.010 -7.930 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.048 -6.376 -7.428 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.963 -8.945 -6.051 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.130 -7.345 -5.291 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.278 -8.652 -4.435 1.00 0.00 H new ATOM 1192 N GLU A 76 4.283 -5.708 -7.741 1.00 0.00 N ATOM 1193 CA GLU A 76 4.121 -4.865 -8.918 1.00 0.00 C ATOM 1194 C GLU A 76 3.409 -3.562 -8.584 1.00 0.00 C ATOM 1195 O GLU A 76 3.707 -2.522 -9.162 1.00 0.00 O ATOM 1196 CB GLU A 76 3.369 -5.605 -10.003 1.00 0.00 C ATOM 1197 CG GLU A 76 4.133 -6.765 -10.599 1.00 0.00 C ATOM 1198 CD GLU A 76 5.405 -6.322 -11.279 1.00 0.00 C ATOM 1199 OE1 GLU A 76 5.378 -5.325 -12.039 1.00 0.00 O ATOM 1200 OE2 GLU A 76 6.439 -6.972 -11.114 1.00 0.00 O ATOM 0 H GLU A 76 3.838 -6.622 -7.821 1.00 0.00 H new ATOM 0 HA GLU A 76 5.119 -4.618 -9.281 1.00 0.00 H new ATOM 0 HB2 GLU A 76 2.430 -5.975 -9.592 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.115 -4.904 -10.798 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.374 -7.481 -9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 76 3.500 -7.283 -11.319 1.00 0.00 H new ATOM 1207 N ILE A 77 2.497 -3.625 -7.629 1.00 0.00 N ATOM 1208 CA ILE A 77 1.761 -2.450 -7.194 1.00 0.00 C ATOM 1209 C ILE A 77 2.703 -1.513 -6.446 1.00 0.00 C ATOM 1210 O ILE A 77 2.607 -0.296 -6.570 1.00 0.00 O ATOM 1211 CB ILE A 77 0.577 -2.847 -6.281 1.00 0.00 C ATOM 1212 CG1 ILE A 77 -0.351 -3.839 -6.998 1.00 0.00 C ATOM 1213 CG2 ILE A 77 -0.207 -1.620 -5.799 1.00 0.00 C ATOM 1214 CD1 ILE A 77 -0.979 -3.301 -8.274 1.00 0.00 C ATOM 0 H ILE A 77 2.247 -4.483 -7.137 1.00 0.00 H new ATOM 0 HA ILE A 77 1.358 -1.944 -8.071 1.00 0.00 H new ATOM 0 HB ILE A 77 0.992 -3.335 -5.399 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.215 -4.739 -7.237 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -1.146 -4.135 -6.313 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -1.030 -1.942 -5.161 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.455 -0.964 -5.234 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -0.604 -1.081 -6.659 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.618 -4.066 -8.715 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.575 -2.419 -8.042 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -0.194 -3.033 -8.981 1.00 0.00 H new ATOM 1226 N TRP A 78 3.644 -2.108 -5.710 1.00 0.00 N ATOM 1227 CA TRP A 78 4.656 -1.360 -4.976 1.00 0.00 C ATOM 1228 C TRP A 78 5.460 -0.553 -5.983 1.00 0.00 C ATOM 1229 O TRP A 78 5.621 0.635 -5.827 1.00 0.00 O ATOM 1230 CB TRP A 78 5.577 -2.333 -4.198 1.00 0.00 C ATOM 1231 CG TRP A 78 6.631 -1.678 -3.335 1.00 0.00 C ATOM 1232 CD1 TRP A 78 7.749 -1.017 -3.758 1.00 0.00 C ATOM 1233 CD2 TRP A 78 6.682 -1.666 -1.905 1.00 0.00 C ATOM 1234 NE1 TRP A 78 8.465 -0.567 -2.687 1.00 0.00 N ATOM 1235 CE2 TRP A 78 7.837 -0.954 -1.535 1.00 0.00 C ATOM 1236 CE3 TRP A 78 5.858 -2.172 -0.904 1.00 0.00 C ATOM 1237 CZ2 TRP A 78 8.186 -0.743 -0.207 1.00 0.00 C ATOM 1238 CZ3 TRP A 78 6.209 -1.963 0.415 1.00 0.00 C ATOM 1239 CH2 TRP A 78 7.361 -1.254 0.751 1.00 0.00 C ATOM 0 H TRP A 78 3.722 -3.120 -5.609 1.00 0.00 H new ATOM 0 HA TRP A 78 4.188 -0.694 -4.251 1.00 0.00 H new ATOM 0 HB2 TRP A 78 4.956 -2.967 -3.565 1.00 0.00 H new ATOM 0 HB3 TRP A 78 6.074 -2.987 -4.914 1.00 0.00 H new ATOM 0 HD1 TRP A 78 8.026 -0.871 -4.792 1.00 0.00 H new ATOM 0 HE1 TRP A 78 9.330 -0.028 -2.737 1.00 0.00 H new ATOM 0 HE3 TRP A 78 4.960 -2.718 -1.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 78 9.078 -0.194 0.057 1.00 0.00 H new ATOM 0 HZ3 TRP A 78 5.580 -2.356 1.200 1.00 0.00 H new ATOM 0 HH2 TRP A 78 7.606 -1.106 1.793 1.00 0.00 H new ATOM 1250 N LYS A 79 5.890 -1.227 -7.050 1.00 0.00 N ATOM 1251 CA LYS A 79 6.645 -0.602 -8.142 1.00 0.00 C ATOM 1252 C LYS A 79 5.904 0.604 -8.716 1.00 0.00 C ATOM 1253 O LYS A 79 6.496 1.653 -8.943 1.00 0.00 O ATOM 1254 CB LYS A 79 6.888 -1.614 -9.259 1.00 0.00 C ATOM 1255 CG LYS A 79 7.865 -2.735 -8.924 1.00 0.00 C ATOM 1256 CD LYS A 79 7.840 -3.828 -9.995 1.00 0.00 C ATOM 1257 CE LYS A 79 8.043 -3.270 -11.400 1.00 0.00 C ATOM 1258 NZ LYS A 79 7.856 -4.305 -12.429 1.00 0.00 N ATOM 0 H LYS A 79 5.725 -2.225 -7.184 1.00 0.00 H new ATOM 0 HA LYS A 79 7.596 -0.263 -7.731 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.933 -2.059 -9.537 1.00 0.00 H new ATOM 0 HB3 LYS A 79 7.259 -1.081 -10.135 1.00 0.00 H new ATOM 0 HG2 LYS A 79 8.873 -2.329 -8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.611 -3.165 -7.955 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.619 -4.560 -9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.887 -4.355 -9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.341 -2.454 -11.573 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.046 -2.851 -11.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 8.242 -3.969 -13.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.352 -5.173 -12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.842 -4.506 -12.539 1.00 0.00 H new ATOM 1272 N GLU A 80 4.608 0.443 -8.930 1.00 0.00 N ATOM 1273 CA GLU A 80 3.770 1.508 -9.464 1.00 0.00 C ATOM 1274 C GLU A 80 3.669 2.684 -8.487 1.00 0.00 C ATOM 1275 O GLU A 80 3.727 3.871 -8.889 1.00 0.00 O ATOM 1276 CB GLU A 80 2.385 0.976 -9.798 1.00 0.00 C ATOM 1277 CG GLU A 80 2.379 -0.062 -10.908 1.00 0.00 C ATOM 1278 CD GLU A 80 0.992 -0.507 -11.281 1.00 0.00 C ATOM 1279 OE1 GLU A 80 0.207 0.339 -11.782 1.00 0.00 O ATOM 1280 OE2 GLU A 80 0.665 -1.723 -11.146 1.00 0.00 O ATOM 0 H GLU A 80 4.108 -0.425 -8.740 1.00 0.00 H new ATOM 0 HA GLU A 80 4.238 1.873 -10.378 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.948 0.538 -8.901 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.746 1.810 -10.089 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.872 0.351 -11.788 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.961 -0.928 -10.593 1.00 0.00 H new ATOM 1287 N LEU A 81 3.543 2.366 -7.216 1.00 0.00 N ATOM 1288 CA LEU A 81 3.477 3.381 -6.193 1.00 0.00 C ATOM 1289 C LEU A 81 4.811 4.121 -6.119 1.00 0.00 C ATOM 1290 O LEU A 81 4.834 5.338 -6.087 1.00 0.00 O ATOM 1291 CB LEU A 81 3.091 2.784 -4.830 1.00 0.00 C ATOM 1292 CG LEU A 81 1.730 2.077 -4.745 1.00 0.00 C ATOM 1293 CD1 LEU A 81 1.518 1.502 -3.355 1.00 0.00 C ATOM 1294 CD2 LEU A 81 0.596 3.026 -5.105 1.00 0.00 C ATOM 0 H LEU A 81 3.484 1.409 -6.869 1.00 0.00 H new ATOM 0 HA LEU A 81 2.695 4.092 -6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.863 2.071 -4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.104 3.586 -4.092 1.00 0.00 H new ATOM 0 HG LEU A 81 1.728 1.260 -5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.549 1.004 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.306 0.782 -3.135 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.546 2.307 -2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.355 2.499 -5.036 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.594 3.869 -4.414 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.736 3.391 -6.123 1.00 0.00 H new ATOM 1306 N THR A 82 5.906 3.376 -6.173 1.00 0.00 N ATOM 1307 CA THR A 82 7.252 3.936 -6.162 1.00 0.00 C ATOM 1308 C THR A 82 7.470 4.808 -7.395 1.00 0.00 C ATOM 1309 O THR A 82 8.083 5.856 -7.321 1.00 0.00 O ATOM 1310 CB THR A 82 8.317 2.806 -6.092 1.00 0.00 C ATOM 1311 OG1 THR A 82 8.072 2.003 -4.939 1.00 0.00 O ATOM 1312 CG2 THR A 82 9.717 3.373 -5.985 1.00 0.00 C ATOM 0 H THR A 82 5.886 2.358 -6.226 1.00 0.00 H new ATOM 0 HA THR A 82 7.362 4.558 -5.274 1.00 0.00 H new ATOM 0 HB THR A 82 8.243 2.216 -7.006 1.00 0.00 H new ATOM 0 HG1 THR A 82 8.312 2.506 -4.133 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.438 2.557 -5.938 1.00 0.00 H new ATOM 0 HG22 THR A 82 9.926 3.992 -6.857 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.796 3.979 -5.083 1.00 0.00 H new ATOM 1320 N ALA A 83 6.909 4.386 -8.509 1.00 0.00 N ATOM 1321 CA ALA A 83 6.986 5.127 -9.753 1.00 0.00 C ATOM 1322 C ALA A 83 6.309 6.490 -9.617 1.00 0.00 C ATOM 1323 O ALA A 83 6.676 7.450 -10.291 1.00 0.00 O ATOM 1324 CB ALA A 83 6.340 4.332 -10.869 1.00 0.00 C ATOM 0 H ALA A 83 6.384 3.515 -8.578 1.00 0.00 H new ATOM 0 HA ALA A 83 8.037 5.291 -9.992 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.402 4.895 -11.800 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.859 3.381 -10.985 1.00 0.00 H new ATOM 0 HB3 ALA A 83 5.294 4.147 -10.626 1.00 0.00 H new ATOM 1330 N HIS A 84 5.317 6.568 -8.751 1.00 0.00 N ATOM 1331 CA HIS A 84 4.620 7.827 -8.523 1.00 0.00 C ATOM 1332 C HIS A 84 5.232 8.648 -7.379 1.00 0.00 C ATOM 1333 O HIS A 84 5.472 9.852 -7.531 1.00 0.00 O ATOM 1334 CB HIS A 84 3.115 7.611 -8.272 1.00 0.00 C ATOM 1335 CG HIS A 84 2.371 7.049 -9.445 1.00 0.00 C ATOM 1336 ND1 HIS A 84 1.302 6.193 -9.322 1.00 0.00 N ATOM 1337 CD2 HIS A 84 2.532 7.249 -10.769 1.00 0.00 C ATOM 1338 CE1 HIS A 84 0.846 5.889 -10.515 1.00 0.00 C ATOM 1339 NE2 HIS A 84 1.574 6.515 -11.411 1.00 0.00 N ATOM 0 H HIS A 84 4.975 5.784 -8.196 1.00 0.00 H new ATOM 0 HA HIS A 84 4.742 8.401 -9.442 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.993 6.939 -7.423 1.00 0.00 H new ATOM 0 HB3 HIS A 84 2.664 8.563 -7.993 1.00 0.00 H new ATOM 0 HD2 HIS A 84 3.279 7.873 -11.236 1.00 0.00 H new ATOM 0 HE1 HIS A 84 0.013 5.235 -10.724 1.00 0.00 H new ATOM 0 HE2 HIS A 84 1.446 6.462 -12.421 1.00 0.00 H new ATOM 1348 N PHE A 85 5.493 8.009 -6.259 1.00 0.00 N ATOM 1349 CA PHE A 85 5.943 8.708 -5.063 1.00 0.00 C ATOM 1350 C PHE A 85 7.457 8.899 -4.992 1.00 0.00 C ATOM 1351 O PHE A 85 7.933 10.040 -5.026 1.00 0.00 O ATOM 1352 CB PHE A 85 5.425 8.036 -3.795 1.00 0.00 C ATOM 1353 CG PHE A 85 3.925 8.028 -3.662 1.00 0.00 C ATOM 1354 CD1 PHE A 85 3.245 9.179 -3.308 1.00 0.00 C ATOM 1355 CD2 PHE A 85 3.198 6.871 -3.893 1.00 0.00 C ATOM 1356 CE1 PHE A 85 1.870 9.178 -3.186 1.00 0.00 C ATOM 1357 CE2 PHE A 85 1.821 6.863 -3.771 1.00 0.00 C ATOM 1358 CZ PHE A 85 1.157 8.019 -3.417 1.00 0.00 C ATOM 0 H PHE A 85 5.402 6.999 -6.146 1.00 0.00 H new ATOM 0 HA PHE A 85 5.513 9.707 -5.134 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.785 7.007 -3.771 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.851 8.543 -2.930 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.796 10.089 -3.125 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.714 5.964 -4.172 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.352 10.084 -2.910 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.267 5.954 -3.952 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.081 8.017 -3.321 1.00 0.00 H new ATOM 1368 N ASP A 86 8.219 7.817 -4.892 1.00 0.00 N ATOM 1369 CA ASP A 86 9.686 7.937 -4.792 1.00 0.00 C ATOM 1370 C ASP A 86 10.407 7.235 -5.926 1.00 0.00 C ATOM 1371 O ASP A 86 11.034 6.201 -5.704 1.00 0.00 O ATOM 1372 CB ASP A 86 10.272 7.388 -3.465 1.00 0.00 C ATOM 1373 CG ASP A 86 9.946 8.170 -2.224 1.00 0.00 C ATOM 1374 OD1 ASP A 86 10.236 9.378 -2.168 1.00 0.00 O ATOM 1375 OD2 ASP A 86 9.461 7.568 -1.251 1.00 0.00 O ATOM 0 H ASP A 86 7.865 6.861 -4.877 1.00 0.00 H new ATOM 0 HA ASP A 86 9.855 9.013 -4.840 1.00 0.00 H new ATOM 0 HB2 ASP A 86 9.917 6.366 -3.330 1.00 0.00 H new ATOM 0 HB3 ASP A 86 11.356 7.338 -3.564 1.00 0.00 H new ATOM 1380 N PRO A 87 10.381 7.770 -7.160 1.00 0.00 N ATOM 1381 CA PRO A 87 11.059 7.125 -8.279 1.00 0.00 C ATOM 1382 C PRO A 87 12.564 7.337 -8.168 1.00 0.00 C ATOM 1383 O PRO A 87 13.379 6.584 -8.727 1.00 0.00 O ATOM 1384 CB PRO A 87 10.488 7.826 -9.522 1.00 0.00 C ATOM 1385 CG PRO A 87 9.442 8.777 -9.023 1.00 0.00 C ATOM 1386 CD PRO A 87 9.711 9.005 -7.571 1.00 0.00 C ATOM 0 HA PRO A 87 10.902 6.047 -8.311 1.00 0.00 H new ATOM 0 HB2 PRO A 87 11.271 8.357 -10.063 1.00 0.00 H new ATOM 0 HB3 PRO A 87 10.058 7.102 -10.214 1.00 0.00 H new ATOM 0 HG2 PRO A 87 9.482 9.717 -9.574 1.00 0.00 H new ATOM 0 HG3 PRO A 87 8.444 8.363 -9.169 1.00 0.00 H new ATOM 0 HD2 PRO A 87 10.342 9.879 -7.410 1.00 0.00 H new ATOM 0 HD3 PRO A 87 8.790 9.170 -7.011 1.00 0.00 H new ATOM 1394 N ASP A 88 12.910 8.340 -7.375 1.00 0.00 N ATOM 1395 CA ASP A 88 14.283 8.703 -7.084 1.00 0.00 C ATOM 1396 C ASP A 88 14.762 7.911 -5.860 1.00 0.00 C ATOM 1397 O ASP A 88 15.903 8.030 -5.406 1.00 0.00 O ATOM 1398 CB ASP A 88 14.376 10.223 -6.848 1.00 0.00 C ATOM 1399 CG ASP A 88 15.785 10.716 -6.594 1.00 0.00 C ATOM 1400 OD1 ASP A 88 16.649 10.568 -7.474 1.00 0.00 O ATOM 1401 OD2 ASP A 88 16.051 11.265 -5.509 1.00 0.00 O ATOM 0 H ASP A 88 12.227 8.935 -6.907 1.00 0.00 H new ATOM 0 HA ASP A 88 14.929 8.456 -7.927 1.00 0.00 H new ATOM 0 HB2 ASP A 88 13.970 10.742 -7.717 1.00 0.00 H new ATOM 0 HB3 ASP A 88 13.749 10.488 -5.997 1.00 0.00 H new ATOM 1406 N GLY A 89 13.867 7.083 -5.340 1.00 0.00 N ATOM 1407 CA GLY A 89 14.190 6.221 -4.239 1.00 0.00 C ATOM 1408 C GLY A 89 15.064 5.086 -4.715 1.00 0.00 C ATOM 1409 O GLY A 89 15.213 4.882 -5.918 1.00 0.00 O ATOM 0 H GLY A 89 12.907 6.998 -5.674 1.00 0.00 H new ATOM 0 HA2 GLY A 89 14.704 6.786 -3.462 1.00 0.00 H new ATOM 0 HA3 GLY A 89 13.276 5.826 -3.794 1.00 0.00 H new ATOM 1413 N LYS A 90 15.651 4.354 -3.808 1.00 0.00 N ATOM 1414 CA LYS A 90 16.541 3.268 -4.189 1.00 0.00 C ATOM 1415 C LYS A 90 15.815 2.010 -4.644 1.00 0.00 C ATOM 1416 O LYS A 90 16.459 1.085 -5.126 1.00 0.00 O ATOM 1417 CB LYS A 90 17.532 2.938 -3.089 1.00 0.00 C ATOM 1418 CG LYS A 90 18.523 4.040 -2.776 1.00 0.00 C ATOM 1419 CD LYS A 90 19.335 4.416 -4.006 1.00 0.00 C ATOM 1420 CE LYS A 90 20.412 5.418 -3.670 1.00 0.00 C ATOM 1421 NZ LYS A 90 19.867 6.657 -3.085 1.00 0.00 N ATOM 0 H LYS A 90 15.536 4.481 -2.802 1.00 0.00 H new ATOM 0 HA LYS A 90 17.088 3.642 -5.054 1.00 0.00 H new ATOM 0 HB2 LYS A 90 16.979 2.697 -2.181 1.00 0.00 H new ATOM 0 HB3 LYS A 90 18.084 2.042 -3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 90 17.991 4.917 -2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 90 19.193 3.715 -1.980 1.00 0.00 H new ATOM 0 HD2 LYS A 90 19.789 3.521 -4.432 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.674 4.831 -4.767 1.00 0.00 H new ATOM 0 HE2 LYS A 90 21.116 4.969 -2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 90 20.972 5.662 -4.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 20.622 7.368 -3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 19.105 7.021 -3.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 19.489 6.456 -2.137 1.00 0.00 H new ATOM 1435 N TRP A 91 14.482 1.974 -4.470 1.00 0.00 N ATOM 1436 CA TRP A 91 13.633 0.817 -4.854 1.00 0.00 C ATOM 1437 C TRP A 91 13.955 -0.422 -4.016 1.00 0.00 C ATOM 1438 O TRP A 91 13.229 -0.758 -3.071 1.00 0.00 O ATOM 1439 CB TRP A 91 13.732 0.493 -6.376 1.00 0.00 C ATOM 1440 CG TRP A 91 13.212 1.576 -7.296 1.00 0.00 C ATOM 1441 CD1 TRP A 91 13.789 2.781 -7.551 1.00 0.00 C ATOM 1442 CD2 TRP A 91 12.029 1.524 -8.111 1.00 0.00 C ATOM 1443 NE1 TRP A 91 13.033 3.498 -8.442 1.00 0.00 N ATOM 1444 CE2 TRP A 91 11.946 2.750 -8.806 1.00 0.00 C ATOM 1445 CE3 TRP A 91 11.027 0.568 -8.311 1.00 0.00 C ATOM 1446 CZ2 TRP A 91 10.905 3.041 -9.685 1.00 0.00 C ATOM 1447 CZ3 TRP A 91 9.997 0.859 -9.186 1.00 0.00 C ATOM 1448 CH2 TRP A 91 9.943 2.086 -9.862 1.00 0.00 C ATOM 0 H TRP A 91 13.956 2.745 -4.059 1.00 0.00 H new ATOM 0 HA TRP A 91 12.603 1.108 -4.647 1.00 0.00 H new ATOM 0 HB2 TRP A 91 14.775 0.297 -6.623 1.00 0.00 H new ATOM 0 HB3 TRP A 91 13.180 -0.426 -6.573 1.00 0.00 H new ATOM 0 HD1 TRP A 91 14.714 3.125 -7.113 1.00 0.00 H new ATOM 0 HE1 TRP A 91 13.246 4.437 -8.779 1.00 0.00 H new ATOM 0 HE3 TRP A 91 11.058 -0.379 -7.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 10.860 3.985 -10.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 9.220 0.128 -9.352 1.00 0.00 H new ATOM 0 HH2 TRP A 91 9.123 2.281 -10.538 1.00 0.00 H new ATOM 1459 N ARG A 92 15.082 -1.028 -4.305 1.00 0.00 N ATOM 1460 CA ARG A 92 15.511 -2.261 -3.697 1.00 0.00 C ATOM 1461 C ARG A 92 15.817 -2.074 -2.217 1.00 0.00 C ATOM 1462 O ARG A 92 15.608 -2.990 -1.414 1.00 0.00 O ATOM 1463 CB ARG A 92 16.724 -2.806 -4.456 1.00 0.00 C ATOM 1464 CG ARG A 92 17.063 -4.260 -4.161 1.00 0.00 C ATOM 1465 CD ARG A 92 15.843 -5.171 -4.342 1.00 0.00 C ATOM 1466 NE ARG A 92 15.081 -4.876 -5.575 1.00 0.00 N ATOM 1467 CZ ARG A 92 14.226 -5.718 -6.179 1.00 0.00 C ATOM 1468 NH1 ARG A 92 14.088 -6.967 -5.749 1.00 0.00 N ATOM 1469 NH2 ARG A 92 13.535 -5.310 -7.232 1.00 0.00 N ATOM 0 H ARG A 92 15.744 -0.664 -4.990 1.00 0.00 H new ATOM 0 HA ARG A 92 14.701 -2.987 -3.760 1.00 0.00 H new ATOM 0 HB2 ARG A 92 16.543 -2.700 -5.526 1.00 0.00 H new ATOM 0 HB3 ARG A 92 17.591 -2.190 -4.217 1.00 0.00 H new ATOM 0 HG2 ARG A 92 17.865 -4.589 -4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 92 17.435 -4.348 -3.140 1.00 0.00 H new ATOM 0 HD2 ARG A 92 16.172 -6.210 -4.364 1.00 0.00 H new ATOM 0 HD3 ARG A 92 15.185 -5.064 -3.480 1.00 0.00 H new ATOM 0 HE ARG A 92 15.216 -3.959 -6.001 1.00 0.00 H new ATOM 0 HH11 ARG A 92 14.634 -7.295 -4.953 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.436 -7.598 -6.215 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.653 -4.359 -7.582 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.885 -5.946 -7.693 1.00 0.00 H new ATOM 1483 N LYS A 93 16.259 -0.874 -1.856 1.00 0.00 N ATOM 1484 CA LYS A 93 16.558 -0.564 -0.473 1.00 0.00 C ATOM 1485 C LYS A 93 15.282 -0.584 0.368 1.00 0.00 C ATOM 1486 O LYS A 93 15.295 -1.030 1.514 1.00 0.00 O ATOM 1487 CB LYS A 93 17.278 0.778 -0.338 1.00 0.00 C ATOM 1488 CG LYS A 93 17.714 1.111 1.082 1.00 0.00 C ATOM 1489 CD LYS A 93 18.661 0.061 1.638 1.00 0.00 C ATOM 1490 CE LYS A 93 19.019 0.344 3.077 1.00 0.00 C ATOM 1491 NZ LYS A 93 19.912 -0.689 3.628 1.00 0.00 N ATOM 0 H LYS A 93 16.416 -0.104 -2.506 1.00 0.00 H new ATOM 0 HA LYS A 93 17.233 -1.334 -0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 93 18.156 0.773 -0.984 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.620 1.569 -0.699 1.00 0.00 H new ATOM 0 HG2 LYS A 93 18.203 2.085 1.094 1.00 0.00 H new ATOM 0 HG3 LYS A 93 16.837 1.187 1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 93 18.198 -0.923 1.564 1.00 0.00 H new ATOM 0 HD3 LYS A 93 19.569 0.033 1.035 1.00 0.00 H new ATOM 0 HE2 LYS A 93 19.502 1.318 3.147 1.00 0.00 H new ATOM 0 HE3 LYS A 93 18.109 0.396 3.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 19.757 -0.771 4.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 19.709 -1.602 3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 20.902 -0.425 3.448 1.00 0.00 H new ATOM 1505 N LYS A 94 14.176 -0.133 -0.219 1.00 0.00 N ATOM 1506 CA LYS A 94 12.910 -0.172 0.481 1.00 0.00 C ATOM 1507 C LYS A 94 12.477 -1.613 0.660 1.00 0.00 C ATOM 1508 O LYS A 94 11.965 -1.989 1.710 1.00 0.00 O ATOM 1509 CB LYS A 94 11.816 0.610 -0.244 1.00 0.00 C ATOM 1510 CG LYS A 94 12.044 2.104 -0.356 1.00 0.00 C ATOM 1511 CD LYS A 94 10.796 2.778 -0.905 1.00 0.00 C ATOM 1512 CE LYS A 94 10.909 4.294 -0.915 1.00 0.00 C ATOM 1513 NZ LYS A 94 9.616 4.920 -1.243 1.00 0.00 N ATOM 0 H LYS A 94 14.137 0.256 -1.161 1.00 0.00 H new ATOM 0 HA LYS A 94 13.057 0.304 1.451 1.00 0.00 H new ATOM 0 HB2 LYS A 94 11.707 0.201 -1.248 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.871 0.442 0.273 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.291 2.517 0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.893 2.303 -1.010 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.612 2.424 -1.919 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.935 2.485 -0.304 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.249 4.643 0.060 1.00 0.00 H new ATOM 0 HE3 LYS A 94 11.660 4.601 -1.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 9.721 5.955 -1.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 9.306 4.604 -2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.907 4.644 -0.534 1.00 0.00 H new ATOM 1527 N TYR A 95 12.720 -2.422 -0.371 1.00 0.00 N ATOM 1528 CA TYR A 95 12.401 -3.836 -0.317 1.00 0.00 C ATOM 1529 C TYR A 95 13.132 -4.541 0.809 1.00 0.00 C ATOM 1530 O TYR A 95 12.497 -5.131 1.654 1.00 0.00 O ATOM 1531 CB TYR A 95 12.659 -4.558 -1.644 1.00 0.00 C ATOM 1532 CG TYR A 95 11.612 -4.336 -2.716 1.00 0.00 C ATOM 1533 CD1 TYR A 95 10.399 -5.009 -2.663 1.00 0.00 C ATOM 1534 CD2 TYR A 95 11.839 -3.487 -3.789 1.00 0.00 C ATOM 1535 CE1 TYR A 95 9.446 -4.841 -3.642 1.00 0.00 C ATOM 1536 CE2 TYR A 95 10.894 -3.318 -4.779 1.00 0.00 C ATOM 1537 CZ TYR A 95 9.699 -3.998 -4.700 1.00 0.00 C ATOM 1538 OH TYR A 95 8.760 -3.845 -5.697 1.00 0.00 O ATOM 0 H TYR A 95 13.137 -2.116 -1.250 1.00 0.00 H new ATOM 0 HA TYR A 95 11.330 -3.884 -0.120 1.00 0.00 H new ATOM 0 HB2 TYR A 95 13.626 -4.237 -2.032 1.00 0.00 H new ATOM 0 HB3 TYR A 95 12.734 -5.628 -1.448 1.00 0.00 H new ATOM 0 HD1 TYR A 95 10.199 -5.677 -1.838 1.00 0.00 H new ATOM 0 HD2 TYR A 95 12.773 -2.948 -3.850 1.00 0.00 H new ATOM 0 HE1 TYR A 95 8.505 -5.368 -3.580 1.00 0.00 H new ATOM 0 HE2 TYR A 95 11.090 -2.657 -5.610 1.00 0.00 H new ATOM 0 HH TYR A 95 8.213 -3.053 -5.512 1.00 0.00 H new ATOM 1548 N GLU A 96 14.457 -4.442 0.847 1.00 0.00 N ATOM 1549 CA GLU A 96 15.222 -5.140 1.889 1.00 0.00 C ATOM 1550 C GLU A 96 14.845 -4.656 3.293 1.00 0.00 C ATOM 1551 O GLU A 96 14.652 -5.457 4.202 1.00 0.00 O ATOM 1552 CB GLU A 96 16.747 -5.027 1.687 1.00 0.00 C ATOM 1553 CG GLU A 96 17.260 -3.601 1.598 1.00 0.00 C ATOM 1554 CD GLU A 96 18.746 -3.486 1.790 1.00 0.00 C ATOM 1555 OE1 GLU A 96 19.511 -3.687 0.834 1.00 0.00 O ATOM 1556 OE2 GLU A 96 19.182 -3.163 2.910 1.00 0.00 O ATOM 0 H GLU A 96 15.017 -3.901 0.189 1.00 0.00 H new ATOM 0 HA GLU A 96 14.952 -6.192 1.796 1.00 0.00 H new ATOM 0 HB2 GLU A 96 17.250 -5.531 2.512 1.00 0.00 H new ATOM 0 HB3 GLU A 96 17.022 -5.557 0.775 1.00 0.00 H new ATOM 0 HG2 GLU A 96 16.994 -3.188 0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 96 16.756 -2.994 2.351 1.00 0.00 H new ATOM 1563 N ASP A 97 14.684 -3.361 3.435 1.00 0.00 N ATOM 1564 CA ASP A 97 14.408 -2.760 4.727 1.00 0.00 C ATOM 1565 C ASP A 97 13.019 -3.119 5.236 1.00 0.00 C ATOM 1566 O ASP A 97 12.864 -3.722 6.314 1.00 0.00 O ATOM 1567 CB ASP A 97 14.559 -1.237 4.621 1.00 0.00 C ATOM 1568 CG ASP A 97 14.278 -0.505 5.912 1.00 0.00 C ATOM 1569 OD1 ASP A 97 14.920 -0.824 6.933 1.00 0.00 O ATOM 1570 OD2 ASP A 97 13.429 0.413 5.913 1.00 0.00 O ATOM 0 H ASP A 97 14.739 -2.694 2.665 1.00 0.00 H new ATOM 0 HA ASP A 97 15.126 -3.155 5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 97 15.573 -1.004 4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 97 13.883 -0.867 3.850 1.00 0.00 H new ATOM 1575 N ARG A 98 12.022 -2.847 4.432 1.00 0.00 N ATOM 1576 CA ARG A 98 10.657 -3.018 4.859 1.00 0.00 C ATOM 1577 C ARG A 98 10.222 -4.477 4.871 1.00 0.00 C ATOM 1578 O ARG A 98 9.508 -4.899 5.777 1.00 0.00 O ATOM 1579 CB ARG A 98 9.703 -2.140 4.036 1.00 0.00 C ATOM 1580 CG ARG A 98 9.989 -0.634 4.135 1.00 0.00 C ATOM 1581 CD ARG A 98 9.956 -0.154 5.580 1.00 0.00 C ATOM 1582 NE ARG A 98 10.222 1.284 5.712 1.00 0.00 N ATOM 1583 CZ ARG A 98 10.444 1.926 6.873 1.00 0.00 C ATOM 1584 NH1 ARG A 98 10.505 1.254 8.026 1.00 0.00 N ATOM 1585 NH2 ARG A 98 10.638 3.232 6.872 1.00 0.00 N ATOM 0 H ARG A 98 12.131 -2.506 3.477 1.00 0.00 H new ATOM 0 HA ARG A 98 10.606 -2.682 5.895 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.761 -2.441 2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.681 -2.327 4.365 1.00 0.00 H new ATOM 0 HG2 ARG A 98 10.965 -0.419 3.701 1.00 0.00 H new ATOM 0 HG3 ARG A 98 9.252 -0.083 3.551 1.00 0.00 H new ATOM 0 HD2 ARG A 98 8.980 -0.378 6.010 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.694 -0.709 6.159 1.00 0.00 H new ATOM 0 HE ARG A 98 10.240 1.839 4.857 1.00 0.00 H new ATOM 0 HH11 ARG A 98 10.383 0.241 8.033 1.00 0.00 H new ATOM 0 HH12 ARG A 98 10.674 1.754 8.899 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.619 3.750 5.993 1.00 0.00 H new ATOM 0 HH22 ARG A 98 10.807 3.723 7.750 1.00 0.00 H new ATOM 1599 N ALA A 99 10.685 -5.255 3.913 1.00 0.00 N ATOM 1600 CA ALA A 99 10.284 -6.646 3.831 1.00 0.00 C ATOM 1601 C ALA A 99 10.955 -7.477 4.912 1.00 0.00 C ATOM 1602 O ALA A 99 10.274 -8.130 5.706 1.00 0.00 O ATOM 1603 CB ALA A 99 10.572 -7.215 2.451 1.00 0.00 C ATOM 0 H ALA A 99 11.333 -4.952 3.186 1.00 0.00 H new ATOM 0 HA ALA A 99 9.208 -6.691 3.997 1.00 0.00 H new ATOM 0 HB1 ALA A 99 10.262 -8.259 2.416 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.021 -6.648 1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 99 11.640 -7.147 2.245 1.00 0.00 H new ATOM 1609 N LYS A 100 12.276 -7.396 5.012 1.00 0.00 N ATOM 1610 CA LYS A 100 13.006 -8.244 5.955 1.00 0.00 C ATOM 1611 C LYS A 100 12.733 -7.856 7.409 1.00 0.00 C ATOM 1612 O LYS A 100 12.870 -8.681 8.307 1.00 0.00 O ATOM 1613 CB LYS A 100 14.517 -8.250 5.666 1.00 0.00 C ATOM 1614 CG LYS A 100 14.893 -8.668 4.235 1.00 0.00 C ATOM 1615 CD LYS A 100 14.535 -10.126 3.881 1.00 0.00 C ATOM 1616 CE LYS A 100 15.547 -11.167 4.384 1.00 0.00 C ATOM 1617 NZ LYS A 100 15.619 -11.287 5.849 1.00 0.00 N ATOM 0 H LYS A 100 12.859 -6.764 4.463 1.00 0.00 H new ATOM 0 HA LYS A 100 12.633 -9.258 5.810 1.00 0.00 H new ATOM 0 HB2 LYS A 100 14.914 -7.253 5.855 1.00 0.00 H new ATOM 0 HB3 LYS A 100 15.005 -8.926 6.368 1.00 0.00 H new ATOM 0 HG2 LYS A 100 14.392 -8.003 3.532 1.00 0.00 H new ATOM 0 HG3 LYS A 100 15.965 -8.527 4.098 1.00 0.00 H new ATOM 0 HD2 LYS A 100 13.555 -10.358 4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 100 14.449 -10.214 2.798 1.00 0.00 H new ATOM 0 HE2 LYS A 100 15.289 -12.139 3.964 1.00 0.00 H new ATOM 0 HE3 LYS A 100 16.535 -10.908 4.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 15.915 -12.251 6.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 16.309 -10.603 6.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 14.684 -11.092 6.260 1.00 0.00 H new ATOM 1631 N ALA A 101 12.335 -6.606 7.650 1.00 0.00 N ATOM 1632 CA ALA A 101 12.027 -6.189 9.015 1.00 0.00 C ATOM 1633 C ALA A 101 10.674 -6.712 9.467 1.00 0.00 C ATOM 1634 O ALA A 101 10.470 -6.993 10.643 1.00 0.00 O ATOM 1635 CB ALA A 101 12.073 -4.687 9.153 1.00 0.00 C ATOM 0 H ALA A 101 12.221 -5.884 6.939 1.00 0.00 H new ATOM 0 HA ALA A 101 12.793 -6.620 9.659 1.00 0.00 H new ATOM 0 HB1 ALA A 101 11.839 -4.409 10.181 1.00 0.00 H new ATOM 0 HB2 ALA A 101 13.070 -4.329 8.898 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.343 -4.237 8.480 1.00 0.00 H new ATOM 1641 N LYS A 102 9.753 -6.863 8.539 1.00 0.00 N ATOM 1642 CA LYS A 102 8.409 -7.296 8.896 1.00 0.00 C ATOM 1643 C LYS A 102 8.236 -8.789 8.720 1.00 0.00 C ATOM 1644 O LYS A 102 7.210 -9.366 9.098 1.00 0.00 O ATOM 1645 CB LYS A 102 7.378 -6.509 8.119 1.00 0.00 C ATOM 1646 CG LYS A 102 7.517 -5.006 8.322 1.00 0.00 C ATOM 1647 CD LYS A 102 7.343 -4.601 9.791 1.00 0.00 C ATOM 1648 CE LYS A 102 7.558 -3.103 10.001 1.00 0.00 C ATOM 1649 NZ LYS A 102 7.373 -2.711 11.415 1.00 0.00 N ATOM 0 H LYS A 102 9.902 -6.696 7.544 1.00 0.00 H new ATOM 0 HA LYS A 102 8.256 -7.092 9.956 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.474 -6.739 7.058 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.380 -6.823 8.425 1.00 0.00 H new ATOM 0 HG2 LYS A 102 8.497 -4.683 7.972 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.775 -4.489 7.714 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.342 -4.874 10.126 1.00 0.00 H new ATOM 0 HD3 LYS A 102 8.049 -5.158 10.407 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.563 -2.832 9.678 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.861 -2.545 9.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 7.737 -1.747 11.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 6.361 -2.738 11.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 7.891 -3.372 12.029 1.00 0.00 H new ATOM 1663 N GLY A 103 9.219 -9.393 8.118 1.00 0.00 N ATOM 1664 CA GLY A 103 9.260 -10.841 8.026 1.00 0.00 C ATOM 1665 C GLY A 103 8.903 -11.379 6.662 1.00 0.00 C ATOM 1666 O GLY A 103 8.434 -12.516 6.532 1.00 0.00 O ATOM 0 H GLY A 103 10.007 -8.915 7.681 1.00 0.00 H new ATOM 0 HA2 GLY A 103 10.261 -11.184 8.290 1.00 0.00 H new ATOM 0 HA3 GLY A 103 8.575 -11.261 8.762 1.00 0.00 H new ATOM 1670 N ILE A 104 9.126 -10.592 5.649 1.00 0.00 N ATOM 1671 CA ILE A 104 8.835 -11.000 4.304 1.00 0.00 C ATOM 1672 C ILE A 104 10.086 -11.546 3.658 1.00 0.00 C ATOM 1673 O ILE A 104 11.062 -10.813 3.432 1.00 0.00 O ATOM 1674 CB ILE A 104 8.253 -9.841 3.457 1.00 0.00 C ATOM 1675 CG1 ILE A 104 6.977 -9.309 4.098 1.00 0.00 C ATOM 1676 CG2 ILE A 104 7.978 -10.290 2.021 1.00 0.00 C ATOM 1677 CD1 ILE A 104 5.908 -10.363 4.267 1.00 0.00 C ATOM 0 H ILE A 104 9.514 -9.652 5.731 1.00 0.00 H new ATOM 0 HA ILE A 104 8.074 -11.779 4.348 1.00 0.00 H new ATOM 0 HB ILE A 104 8.993 -9.042 3.424 1.00 0.00 H new ATOM 0 HG12 ILE A 104 7.218 -8.886 5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.583 -8.497 3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 104 7.570 -9.455 1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 104 8.907 -10.625 1.560 1.00 0.00 H new ATOM 0 HG23 ILE A 104 7.260 -11.110 2.027 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.027 -9.917 4.729 1.00 0.00 H new ATOM 0 HD12 ILE A 104 5.640 -10.769 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 104 6.284 -11.164 4.903 1.00 0.00 H new ATOM 1689 N VAL A 105 10.074 -12.826 3.399 1.00 0.00 N ATOM 1690 CA VAL A 105 11.196 -13.477 2.796 1.00 0.00 C ATOM 1691 C VAL A 105 11.199 -13.328 1.276 1.00 0.00 C ATOM 1692 O VAL A 105 10.427 -13.973 0.543 1.00 0.00 O ATOM 1693 CB VAL A 105 11.352 -14.975 3.233 1.00 0.00 C ATOM 1694 CG1 VAL A 105 11.752 -15.049 4.696 1.00 0.00 C ATOM 1695 CG2 VAL A 105 10.062 -15.768 3.016 1.00 0.00 C ATOM 0 H VAL A 105 9.286 -13.442 3.601 1.00 0.00 H new ATOM 0 HA VAL A 105 12.076 -12.958 3.176 1.00 0.00 H new ATOM 0 HB VAL A 105 12.130 -15.419 2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 105 11.858 -16.093 4.992 1.00 0.00 H new ATOM 0 HG12 VAL A 105 12.701 -14.532 4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 105 10.984 -14.575 5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 105 10.212 -16.801 3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 105 9.258 -15.323 3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 105 9.795 -15.746 1.959 1.00 0.00 H new ATOM 1705 N ILE A 106 12.012 -12.426 0.810 1.00 0.00 N ATOM 1706 CA ILE A 106 12.217 -12.258 -0.605 1.00 0.00 C ATOM 1707 C ILE A 106 13.647 -12.650 -0.898 1.00 0.00 C ATOM 1708 O ILE A 106 14.491 -12.562 0.002 1.00 0.00 O ATOM 1709 CB ILE A 106 11.944 -10.794 -1.155 1.00 0.00 C ATOM 1710 CG1 ILE A 106 12.998 -9.736 -0.704 1.00 0.00 C ATOM 1711 CG2 ILE A 106 10.538 -10.329 -0.803 1.00 0.00 C ATOM 1712 CD1 ILE A 106 12.988 -9.377 0.764 1.00 0.00 C ATOM 0 H ILE A 106 12.551 -11.787 1.394 1.00 0.00 H new ATOM 0 HA ILE A 106 11.488 -12.888 -1.115 1.00 0.00 H new ATOM 0 HB ILE A 106 12.039 -10.871 -2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 106 13.990 -10.108 -0.960 1.00 0.00 H new ATOM 0 HG13 ILE A 106 12.840 -8.825 -1.282 1.00 0.00 H new ATOM 0 HG21 ILE A 106 10.379 -9.323 -1.192 1.00 0.00 H new ATOM 0 HG22 ILE A 106 9.809 -11.008 -1.245 1.00 0.00 H new ATOM 0 HG23 ILE A 106 10.418 -10.322 0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 106 13.761 -8.634 0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 106 12.014 -8.967 1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 106 13.182 -10.270 1.358 1.00 0.00 H new ATOM 1724 N PRO A 107 13.948 -13.136 -2.104 1.00 0.00 N ATOM 1725 CA PRO A 107 15.312 -13.479 -2.477 1.00 0.00 C ATOM 1726 C PRO A 107 16.186 -12.239 -2.532 1.00 0.00 C ATOM 1727 O PRO A 107 16.011 -11.387 -3.406 1.00 0.00 O ATOM 1728 CB PRO A 107 15.173 -14.086 -3.881 1.00 0.00 C ATOM 1729 CG PRO A 107 13.731 -14.431 -4.007 1.00 0.00 C ATOM 1730 CD PRO A 107 12.999 -13.415 -3.192 1.00 0.00 C ATOM 0 HA PRO A 107 15.778 -14.157 -1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 107 15.478 -13.377 -4.650 1.00 0.00 H new ATOM 0 HB3 PRO A 107 15.802 -14.969 -3.994 1.00 0.00 H new ATOM 0 HG2 PRO A 107 13.411 -14.402 -5.049 1.00 0.00 H new ATOM 0 HG3 PRO A 107 13.536 -15.440 -3.642 1.00 0.00 H new ATOM 0 HD2 PRO A 107 12.770 -12.520 -3.770 1.00 0.00 H new ATOM 0 HD3 PRO A 107 12.052 -13.802 -2.815 1.00 0.00 H new ATOM 1738 N GLU A 108 17.055 -12.102 -1.572 1.00 0.00 N ATOM 1739 CA GLU A 108 17.960 -11.001 -1.556 1.00 0.00 C ATOM 1740 C GLU A 108 19.170 -11.347 -2.411 1.00 0.00 C ATOM 1741 O GLU A 108 19.344 -10.729 -3.475 1.00 0.00 O ATOM 1742 CB GLU A 108 18.326 -10.564 -0.119 1.00 0.00 C ATOM 1743 CG GLU A 108 19.005 -11.618 0.744 1.00 0.00 C ATOM 1744 CD GLU A 108 19.289 -11.121 2.136 1.00 0.00 C ATOM 1745 OE1 GLU A 108 19.872 -10.026 2.290 1.00 0.00 O ATOM 1746 OE2 GLU A 108 18.925 -11.806 3.109 1.00 0.00 O ATOM 1747 OXT GLU A 108 19.870 -12.341 -2.102 1.00 0.00 O ATOM 0 H GLU A 108 17.152 -12.747 -0.787 1.00 0.00 H new ATOM 0 HA GLU A 108 17.476 -10.126 -1.991 1.00 0.00 H new ATOM 0 HB2 GLU A 108 18.981 -9.695 -0.180 1.00 0.00 H new ATOM 0 HB3 GLU A 108 17.415 -10.241 0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 108 18.371 -12.503 0.799 1.00 0.00 H new ATOM 0 HG3 GLU A 108 19.939 -11.924 0.272 1.00 0.00 H new