USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 887 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 104 GLN : amide:sc= -1.94! C(o=-3.4!,f=-11!) USER MOD Set 1.2: A 106 TYR OH : rot -52:sc= -1.49! USER MOD Set 2.1: A 62 HIS : no HD1:sc= -0.274 K(o=-0.27,f=-0.92) USER MOD Set 2.2: A 67 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 9 HIS : no HD1:sc= -2.72! C(o=-7.2!,f=-7.3!) USER MOD Set 3.2: A 13 ASN : amide:sc= -4.49! C(o=-7.2!,f=-7.3!) USER MOD Single : A 2 THR OG1 : rot 57:sc= 0.406 USER MOD Single : A 6 GLN : amide:sc= -0.214 K(o=-0.21,f=-0.92) USER MOD Single : A 8 LYS NZ :NH3+ -166:sc= 1.06 (180deg=0.75) USER MOD Single : A 10 TYR OH : rot 65:sc= 0.119 USER MOD Single : A 12 THR OG1 : rot 113:sc= 0.0973 USER MOD Single : A 16 ASN : amide:sc= -0.251 K(o=-0.25,f=-1.7!) USER MOD Single : A 22 LYS NZ :NH3+ -163:sc= -0.0164 (180deg=-0.325) USER MOD Single : A 25 CYS SG : rot 17:sc= 0.77 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.209 K(o=-0.21,f=-0.96) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 99:sc= -0.91 USER MOD Single : A 48 ASN : amide:sc= -0.448 K(o=-0.45,f=-2.3!) USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= 0.623 (180deg=0.442) USER MOD Single : A 52 GLN : amide:sc= -4.7! C(o=-4.7!,f=-4.7!) USER MOD Single : A 53 THR OG1 : rot -44:sc= 0.293 USER MOD Single : A 54 ASN :FLIP amide:sc= -6.86! C(o=-8.1!,f=-6.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0193 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.676 USER MOD Single : A 58 SER OG : rot 148:sc= 0.91 USER MOD Single : A 60 THR OG1 : rot -151:sc= 0.567 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 79:sc= 1.22 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.933 F(o=-1.5,f=-0.93) USER MOD Single : A 72 TYR OH : rot 180:sc=-0.00874 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.23 X(o=-0.23,f=-0.21) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 ASN : amide:sc= -0.307 K(o=-0.31,f=-1.4!) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -3.88! C(o=-4.7!,f=-3.9!) USER MOD Single : A 89 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -2.94! C(o=-2.9!,f=-2.6!) USER MOD Single : A 96 ASN : amide:sc= -0.576 K(o=-0.58,f=-3.7!) USER MOD Single : A 97 THR OG1 : rot 55:sc= 0.703 USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -10.743 -6.550 19.557 1.00 0.00 N ATOM 21 CA THR A 2 -10.777 -7.498 18.400 1.00 0.00 C ATOM 22 C THR A 2 -11.304 -6.788 17.149 1.00 0.00 C ATOM 23 O THR A 2 -12.474 -6.855 16.817 1.00 0.00 O ATOM 24 CB THR A 2 -11.661 -8.700 18.740 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.936 -8.246 19.170 1.00 0.00 O ATOM 26 CG2 THR A 2 -11.001 -9.515 19.855 1.00 0.00 C ATOM 0 HA THR A 2 -9.765 -7.849 18.199 1.00 0.00 H new ATOM 0 HB THR A 2 -11.782 -9.326 17.856 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.337 -7.687 18.472 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.629 -10.372 20.099 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.024 -9.864 19.521 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.880 -8.890 20.740 1.00 0.00 H new ATOM 34 N LEU A 3 -10.433 -6.106 16.459 1.00 0.00 N ATOM 35 CA LEU A 3 -10.837 -5.371 15.226 1.00 0.00 C ATOM 36 C LEU A 3 -11.316 -6.362 14.162 1.00 0.00 C ATOM 37 O LEU A 3 -12.274 -6.117 13.452 1.00 0.00 O ATOM 38 CB LEU A 3 -9.627 -4.598 14.692 1.00 0.00 C ATOM 39 CG LEU A 3 -9.448 -3.293 15.481 1.00 0.00 C ATOM 40 CD1 LEU A 3 -10.594 -2.308 15.167 1.00 0.00 C ATOM 41 CD2 LEU A 3 -9.430 -3.611 16.984 1.00 0.00 C ATOM 0 H LEU A 3 -9.445 -6.025 16.700 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.648 -4.682 15.461 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.729 -5.209 14.776 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.765 -4.377 13.634 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.506 -2.828 15.191 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.450 -1.389 15.735 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.595 -2.079 14.101 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -11.547 -2.759 15.442 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -9.303 -2.688 17.550 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.370 -4.084 17.267 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.604 -4.287 17.203 1.00 0.00 H new ATOM 53 N GLU A 4 -10.642 -7.466 14.045 1.00 0.00 N ATOM 54 CA GLU A 4 -11.026 -8.483 13.022 1.00 0.00 C ATOM 55 C GLU A 4 -12.529 -8.790 13.128 1.00 0.00 C ATOM 56 O GLU A 4 -13.272 -8.661 12.171 1.00 0.00 O ATOM 57 CB GLU A 4 -10.219 -9.776 13.264 1.00 0.00 C ATOM 58 CG GLU A 4 -9.808 -9.866 14.740 1.00 0.00 C ATOM 59 CD GLU A 4 -9.374 -11.295 15.070 1.00 0.00 C ATOM 60 OE1 GLU A 4 -8.754 -11.914 14.221 1.00 0.00 O ATOM 61 OE2 GLU A 4 -9.671 -11.746 16.164 1.00 0.00 O ATOM 0 H GLU A 4 -9.834 -7.714 14.616 1.00 0.00 H new ATOM 0 HA GLU A 4 -10.811 -8.094 12.027 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -10.817 -10.645 12.990 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -9.333 -9.786 12.629 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -8.992 -9.172 14.943 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.642 -9.573 15.378 1.00 0.00 H new ATOM 68 N LEU A 5 -12.968 -9.200 14.283 1.00 0.00 N ATOM 69 CA LEU A 5 -14.409 -9.533 14.469 1.00 0.00 C ATOM 70 C LEU A 5 -15.256 -8.278 14.260 1.00 0.00 C ATOM 71 O LEU A 5 -16.336 -8.327 13.699 1.00 0.00 O ATOM 72 CB LEU A 5 -14.627 -10.075 15.890 1.00 0.00 C ATOM 73 CG LEU A 5 -14.285 -11.567 15.940 1.00 0.00 C ATOM 74 CD1 LEU A 5 -12.809 -11.771 15.599 1.00 0.00 C ATOM 75 CD2 LEU A 5 -14.559 -12.107 17.346 1.00 0.00 C ATOM 0 H LEU A 5 -12.388 -9.320 15.113 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.705 -10.290 13.743 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.004 -9.527 16.597 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -15.663 -9.921 16.192 1.00 0.00 H new ATOM 0 HG LEU A 5 -14.901 -12.100 15.216 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -12.571 -12.834 15.636 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -12.611 -11.389 14.597 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -12.192 -11.235 16.320 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -14.316 -13.169 17.382 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -13.945 -11.569 18.068 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.612 -11.968 17.590 1.00 0.00 H new ATOM 87 N GLN A 6 -14.776 -7.159 14.717 1.00 0.00 N ATOM 88 CA GLN A 6 -15.548 -5.895 14.564 1.00 0.00 C ATOM 89 C GLN A 6 -15.721 -5.580 13.078 1.00 0.00 C ATOM 90 O GLN A 6 -16.757 -5.105 12.647 1.00 0.00 O ATOM 91 CB GLN A 6 -14.783 -4.752 15.239 1.00 0.00 C ATOM 92 CG GLN A 6 -15.634 -3.479 15.233 1.00 0.00 C ATOM 93 CD GLN A 6 -16.871 -3.683 16.111 1.00 0.00 C ATOM 94 OE1 GLN A 6 -16.795 -4.296 17.158 1.00 0.00 O ATOM 95 NE2 GLN A 6 -18.017 -3.196 15.721 1.00 0.00 N ATOM 0 H GLN A 6 -13.879 -7.063 15.192 1.00 0.00 H new ATOM 0 HA GLN A 6 -16.528 -6.007 15.028 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.531 -5.027 16.263 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.843 -4.574 14.717 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.049 -2.637 15.602 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.935 -3.236 14.214 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.080 -2.682 14.842 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -18.850 -3.330 16.295 1.00 0.00 H new ATOM 104 N LEU A 7 -14.712 -5.841 12.291 1.00 0.00 N ATOM 105 CA LEU A 7 -14.815 -5.556 10.832 1.00 0.00 C ATOM 106 C LEU A 7 -15.925 -6.413 10.223 1.00 0.00 C ATOM 107 O LEU A 7 -16.735 -5.943 9.448 1.00 0.00 O ATOM 108 CB LEU A 7 -13.483 -5.897 10.149 1.00 0.00 C ATOM 109 CG LEU A 7 -13.594 -5.670 8.632 1.00 0.00 C ATOM 110 CD1 LEU A 7 -14.005 -4.216 8.349 1.00 0.00 C ATOM 111 CD2 LEU A 7 -12.241 -5.961 7.971 1.00 0.00 C ATOM 0 H LEU A 7 -13.823 -6.238 12.595 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.043 -4.500 10.685 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.686 -5.278 10.560 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.217 -6.935 10.351 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.350 -6.340 8.223 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.082 -4.062 7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.970 -4.014 8.814 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.255 -3.540 8.759 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.319 -5.800 6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.484 -5.294 8.383 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.957 -6.996 8.163 1.00 0.00 H new ATOM 123 N LYS A 8 -15.958 -7.668 10.572 1.00 0.00 N ATOM 124 CA LYS A 8 -17.006 -8.576 10.023 1.00 0.00 C ATOM 125 C LYS A 8 -18.377 -8.114 10.514 1.00 0.00 C ATOM 126 O LYS A 8 -19.352 -8.124 9.788 1.00 0.00 O ATOM 127 CB LYS A 8 -16.739 -10.009 10.498 1.00 0.00 C ATOM 128 CG LYS A 8 -15.653 -10.672 9.632 1.00 0.00 C ATOM 129 CD LYS A 8 -14.266 -10.238 10.110 1.00 0.00 C ATOM 130 CE LYS A 8 -13.202 -10.861 9.212 1.00 0.00 C ATOM 131 NZ LYS A 8 -13.276 -12.345 9.315 1.00 0.00 N ATOM 0 H LYS A 8 -15.301 -8.107 11.217 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.984 -8.550 8.934 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.424 -10.000 11.542 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.659 -10.592 10.448 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.743 -11.757 9.688 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.790 -10.395 8.587 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -14.185 -9.151 10.088 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -14.112 -10.548 11.144 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.354 -10.549 8.179 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -12.212 -10.514 9.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.419 -12.765 8.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.349 -12.620 10.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -14.112 -12.688 8.800 1.00 0.00 H new ATOM 145 N HIS A 9 -18.452 -7.715 11.748 1.00 0.00 N ATOM 146 CA HIS A 9 -19.751 -7.249 12.306 1.00 0.00 C ATOM 147 C HIS A 9 -20.156 -5.924 11.651 1.00 0.00 C ATOM 148 O HIS A 9 -21.296 -5.721 11.275 1.00 0.00 O ATOM 149 CB HIS A 9 -19.599 -7.041 13.811 1.00 0.00 C ATOM 150 CG HIS A 9 -20.916 -6.614 14.395 1.00 0.00 C ATOM 151 ND1 HIS A 9 -21.960 -7.504 14.592 1.00 0.00 N ATOM 152 CD2 HIS A 9 -21.377 -5.394 14.827 1.00 0.00 C ATOM 153 CE1 HIS A 9 -22.986 -6.815 15.121 1.00 0.00 C ATOM 154 NE2 HIS A 9 -22.684 -5.524 15.285 1.00 0.00 N ATOM 0 H HIS A 9 -17.667 -7.690 12.399 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.520 -7.996 12.107 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.262 -7.963 14.284 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -18.839 -6.285 14.009 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.811 -4.474 14.813 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -23.939 -7.252 15.382 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.283 -4.791 15.665 1.00 0.00 H new ATOM 162 N TYR A 10 -19.224 -5.019 11.525 1.00 0.00 N ATOM 163 CA TYR A 10 -19.532 -3.691 10.913 1.00 0.00 C ATOM 164 C TYR A 10 -19.922 -3.852 9.440 1.00 0.00 C ATOM 165 O TYR A 10 -20.932 -3.343 8.991 1.00 0.00 O ATOM 166 CB TYR A 10 -18.291 -2.802 11.005 1.00 0.00 C ATOM 167 CG TYR A 10 -18.556 -1.488 10.307 1.00 0.00 C ATOM 168 CD1 TYR A 10 -19.387 -0.537 10.911 1.00 0.00 C ATOM 169 CD2 TYR A 10 -17.972 -1.217 9.063 1.00 0.00 C ATOM 170 CE1 TYR A 10 -19.636 0.682 10.271 1.00 0.00 C ATOM 171 CE2 TYR A 10 -18.222 0.003 8.424 1.00 0.00 C ATOM 172 CZ TYR A 10 -19.054 0.952 9.028 1.00 0.00 C ATOM 173 OH TYR A 10 -19.300 2.155 8.397 1.00 0.00 O ATOM 0 H TYR A 10 -18.256 -5.142 11.821 1.00 0.00 H new ATOM 0 HA TYR A 10 -20.366 -3.240 11.450 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -18.034 -2.625 12.050 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -17.438 -3.303 10.548 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -19.836 -0.744 11.871 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -17.329 -1.949 8.597 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -20.278 1.415 10.737 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.773 0.212 7.464 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.922 2.886 8.928 1.00 0.00 H new ATOM 183 N ILE A 11 -19.113 -4.544 8.685 1.00 0.00 N ATOM 184 CA ILE A 11 -19.408 -4.729 7.235 1.00 0.00 C ATOM 185 C ILE A 11 -20.660 -5.598 7.051 1.00 0.00 C ATOM 186 O ILE A 11 -21.495 -5.335 6.206 1.00 0.00 O ATOM 187 CB ILE A 11 -18.208 -5.415 6.566 1.00 0.00 C ATOM 188 CG1 ILE A 11 -18.373 -5.365 5.046 1.00 0.00 C ATOM 189 CG2 ILE A 11 -18.122 -6.877 7.022 1.00 0.00 C ATOM 190 CD1 ILE A 11 -17.061 -5.774 4.377 1.00 0.00 C ATOM 0 H ILE A 11 -18.256 -4.991 9.011 1.00 0.00 H new ATOM 0 HA ILE A 11 -19.587 -3.756 6.778 1.00 0.00 H new ATOM 0 HB ILE A 11 -17.294 -4.895 6.852 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -19.176 -6.033 4.735 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -18.655 -4.360 4.733 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -17.269 -7.358 6.544 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -18.000 -6.914 8.104 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -19.037 -7.400 6.742 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -17.178 -5.738 3.294 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.269 -5.088 4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.798 -6.787 4.680 1.00 0.00 H new ATOM 202 N THR A 12 -20.778 -6.641 7.826 1.00 0.00 N ATOM 203 CA THR A 12 -21.955 -7.554 7.701 1.00 0.00 C ATOM 204 C THR A 12 -23.257 -6.807 8.012 1.00 0.00 C ATOM 205 O THR A 12 -24.240 -6.927 7.305 1.00 0.00 O ATOM 206 CB THR A 12 -21.797 -8.715 8.689 1.00 0.00 C ATOM 207 OG1 THR A 12 -20.646 -9.476 8.351 1.00 0.00 O ATOM 208 CG2 THR A 12 -23.038 -9.607 8.643 1.00 0.00 C ATOM 0 H THR A 12 -20.106 -6.904 8.547 1.00 0.00 H new ATOM 0 HA THR A 12 -22.000 -7.928 6.678 1.00 0.00 H new ATOM 0 HB THR A 12 -21.682 -8.316 9.697 1.00 0.00 H new ATOM 0 HG1 THR A 12 -19.971 -9.379 9.055 1.00 0.00 H new ATOM 0 HG21 THR A 12 -22.920 -10.431 9.347 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.917 -9.022 8.913 1.00 0.00 H new ATOM 0 HG23 THR A 12 -23.163 -10.005 7.636 1.00 0.00 H new ATOM 216 N ASN A 13 -23.275 -6.051 9.073 1.00 0.00 N ATOM 217 CA ASN A 13 -24.511 -5.302 9.450 1.00 0.00 C ATOM 218 C ASN A 13 -24.790 -4.195 8.432 1.00 0.00 C ATOM 219 O ASN A 13 -25.927 -3.876 8.135 1.00 0.00 O ATOM 220 CB ASN A 13 -24.332 -4.682 10.835 1.00 0.00 C ATOM 221 CG ASN A 13 -24.334 -5.778 11.902 1.00 0.00 C ATOM 222 OD1 ASN A 13 -24.038 -5.521 13.054 1.00 0.00 O ATOM 223 ND2 ASN A 13 -24.654 -7.000 11.572 1.00 0.00 N ATOM 0 H ASN A 13 -22.483 -5.917 9.701 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.352 -5.995 9.463 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -23.396 -4.125 10.875 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -25.134 -3.971 11.031 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -24.655 -7.735 12.279 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -24.903 -7.219 10.607 1.00 0.00 H new ATOM 230 N LEU A 14 -23.758 -3.587 7.917 1.00 0.00 N ATOM 231 CA LEU A 14 -23.951 -2.475 6.942 1.00 0.00 C ATOM 232 C LEU A 14 -24.686 -2.973 5.694 1.00 0.00 C ATOM 233 O LEU A 14 -25.561 -2.308 5.168 1.00 0.00 O ATOM 234 CB LEU A 14 -22.582 -1.914 6.528 1.00 0.00 C ATOM 235 CG LEU A 14 -22.758 -0.828 5.453 1.00 0.00 C ATOM 236 CD1 LEU A 14 -23.705 0.267 5.966 1.00 0.00 C ATOM 237 CD2 LEU A 14 -21.394 -0.210 5.125 1.00 0.00 C ATOM 0 H LEU A 14 -22.786 -3.812 8.129 1.00 0.00 H new ATOM 0 HA LEU A 14 -24.548 -1.696 7.417 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -22.073 -1.497 7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -21.952 -2.717 6.145 1.00 0.00 H new ATOM 0 HG LEU A 14 -23.183 -1.277 4.555 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -23.825 1.033 5.200 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -24.676 -0.171 6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -23.287 0.717 6.866 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -21.517 0.560 4.363 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -20.970 0.235 6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -20.724 -0.985 4.753 1.00 0.00 H new ATOM 249 N PHE A 15 -24.326 -4.124 5.203 1.00 0.00 N ATOM 250 CA PHE A 15 -24.983 -4.662 3.972 1.00 0.00 C ATOM 251 C PHE A 15 -26.154 -5.568 4.364 1.00 0.00 C ATOM 252 O PHE A 15 -26.726 -6.259 3.541 1.00 0.00 O ATOM 253 CB PHE A 15 -23.951 -5.454 3.164 1.00 0.00 C ATOM 254 CG PHE A 15 -23.003 -4.491 2.487 1.00 0.00 C ATOM 255 CD1 PHE A 15 -23.417 -3.790 1.349 1.00 0.00 C ATOM 256 CD2 PHE A 15 -21.713 -4.297 2.997 1.00 0.00 C ATOM 257 CE1 PHE A 15 -22.544 -2.894 0.721 1.00 0.00 C ATOM 258 CE2 PHE A 15 -20.839 -3.401 2.368 1.00 0.00 C ATOM 259 CZ PHE A 15 -21.256 -2.699 1.231 1.00 0.00 C ATOM 0 H PHE A 15 -23.601 -4.722 5.601 1.00 0.00 H new ATOM 0 HA PHE A 15 -25.366 -3.840 3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -23.398 -6.127 3.819 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -24.452 -6.073 2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -24.411 -3.940 0.955 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -21.392 -4.838 3.875 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -22.865 -2.353 -0.157 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.844 -3.252 2.760 1.00 0.00 H new ATOM 0 HZ PHE A 15 -20.583 -2.007 0.747 1.00 0.00 H new ATOM 269 N ASN A 16 -26.513 -5.554 5.620 1.00 0.00 N ATOM 270 CA ASN A 16 -27.650 -6.395 6.098 1.00 0.00 C ATOM 271 C ASN A 16 -27.407 -7.856 5.719 1.00 0.00 C ATOM 272 O ASN A 16 -28.320 -8.587 5.377 1.00 0.00 O ATOM 273 CB ASN A 16 -28.954 -5.892 5.471 1.00 0.00 C ATOM 274 CG ASN A 16 -30.148 -6.484 6.224 1.00 0.00 C ATOM 275 OD1 ASN A 16 -30.092 -6.670 7.424 1.00 0.00 O ATOM 276 ND2 ASN A 16 -31.235 -6.782 5.568 1.00 0.00 N ATOM 0 H ASN A 16 -26.063 -4.991 6.342 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.727 -6.324 7.183 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -28.991 -4.803 5.509 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -28.997 -6.176 4.420 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -32.038 -7.171 6.062 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -31.282 -6.626 4.561 1.00 0.00 H new ATOM 283 N LEU A 17 -26.173 -8.287 5.782 1.00 0.00 N ATOM 284 CA LEU A 17 -25.845 -9.702 5.433 1.00 0.00 C ATOM 285 C LEU A 17 -25.885 -10.568 6.700 1.00 0.00 C ATOM 286 O LEU A 17 -25.605 -10.097 7.787 1.00 0.00 O ATOM 287 CB LEU A 17 -24.443 -9.759 4.812 1.00 0.00 C ATOM 288 CG LEU A 17 -24.454 -9.069 3.445 1.00 0.00 C ATOM 289 CD1 LEU A 17 -23.016 -8.950 2.928 1.00 0.00 C ATOM 290 CD2 LEU A 17 -25.302 -9.875 2.443 1.00 0.00 C ATOM 0 H LEU A 17 -25.375 -7.717 6.062 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.575 -10.080 4.718 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.724 -9.272 5.470 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -24.125 -10.796 4.704 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.891 -8.076 3.550 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -23.019 -8.459 1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -22.425 -8.361 3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -22.581 -9.945 2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -25.300 -9.371 1.476 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -24.882 -10.875 2.332 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -26.325 -9.950 2.810 1.00 0.00 H new ATOM 302 N PRO A 18 -26.237 -11.825 6.566 1.00 0.00 N ATOM 303 CA PRO A 18 -26.326 -12.767 7.719 1.00 0.00 C ATOM 304 C PRO A 18 -24.957 -13.054 8.355 1.00 0.00 C ATOM 305 O PRO A 18 -23.949 -13.165 7.682 1.00 0.00 O ATOM 306 CB PRO A 18 -26.932 -14.042 7.101 1.00 0.00 C ATOM 307 CG PRO A 18 -26.581 -13.970 5.652 1.00 0.00 C ATOM 308 CD PRO A 18 -26.594 -12.488 5.298 1.00 0.00 C ATOM 0 HA PRO A 18 -26.923 -12.357 8.533 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -26.520 -14.939 7.563 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -28.012 -14.076 7.245 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -25.601 -14.409 5.464 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -27.299 -14.523 5.047 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -25.877 -12.258 4.510 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -27.573 -12.170 4.941 1.00 0.00 H new ATOM 316 N ARG A 19 -24.931 -13.177 9.654 1.00 0.00 N ATOM 317 CA ARG A 19 -23.654 -13.466 10.372 1.00 0.00 C ATOM 318 C ARG A 19 -23.417 -14.979 10.403 1.00 0.00 C ATOM 319 O ARG A 19 -22.355 -15.447 10.769 1.00 0.00 O ATOM 320 CB ARG A 19 -23.747 -12.937 11.805 1.00 0.00 C ATOM 321 CG ARG A 19 -23.684 -11.408 11.796 1.00 0.00 C ATOM 322 CD ARG A 19 -23.860 -10.870 13.219 1.00 0.00 C ATOM 323 NE ARG A 19 -25.268 -11.086 13.666 1.00 0.00 N ATOM 324 CZ ARG A 19 -25.551 -11.276 14.932 1.00 0.00 C ATOM 325 NH1 ARG A 19 -24.607 -11.260 15.834 1.00 0.00 N ATOM 326 NH2 ARG A 19 -26.788 -11.470 15.293 1.00 0.00 N ATOM 0 H ARG A 19 -25.749 -13.089 10.257 1.00 0.00 H new ATOM 0 HA ARG A 19 -22.827 -12.979 9.855 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -24.677 -13.269 12.266 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -22.932 -13.341 12.405 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -22.729 -11.077 11.389 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -24.463 -11.007 11.148 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -23.171 -11.374 13.897 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -23.617 -9.808 13.250 1.00 0.00 H new ATOM 0 HE ARG A 19 -26.020 -11.086 12.977 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -23.639 -11.099 15.556 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -24.838 -11.409 16.816 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -27.529 -11.473 14.592 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -27.015 -11.618 16.276 1.00 0.00 H new ATOM 340 N ASP A 20 -24.404 -15.746 10.025 1.00 0.00 N ATOM 341 CA ASP A 20 -24.249 -17.231 10.035 1.00 0.00 C ATOM 342 C ASP A 20 -23.474 -17.664 8.787 1.00 0.00 C ATOM 343 O ASP A 20 -23.231 -18.836 8.563 1.00 0.00 O ATOM 344 CB ASP A 20 -25.639 -17.879 10.030 1.00 0.00 C ATOM 345 CG ASP A 20 -26.338 -17.593 11.362 1.00 0.00 C ATOM 346 OD1 ASP A 20 -25.657 -17.196 12.292 1.00 0.00 O ATOM 347 OD2 ASP A 20 -27.543 -17.777 11.430 1.00 0.00 O ATOM 0 H ASP A 20 -25.313 -15.408 9.709 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.704 -17.544 10.926 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -26.232 -17.487 9.204 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.550 -18.955 9.877 1.00 0.00 H new ATOM 352 N GLU A 21 -23.086 -16.717 7.975 1.00 0.00 N ATOM 353 CA GLU A 21 -22.328 -17.048 6.733 1.00 0.00 C ATOM 354 C GLU A 21 -20.835 -17.150 7.056 1.00 0.00 C ATOM 355 O GLU A 21 -20.203 -16.192 7.463 1.00 0.00 O ATOM 356 CB GLU A 21 -22.567 -15.951 5.693 1.00 0.00 C ATOM 357 CG GLU A 21 -21.919 -16.353 4.366 1.00 0.00 C ATOM 358 CD GLU A 21 -22.296 -15.341 3.283 1.00 0.00 C ATOM 359 OE1 GLU A 21 -23.178 -14.534 3.532 1.00 0.00 O ATOM 360 OE2 GLU A 21 -21.699 -15.391 2.221 1.00 0.00 O ATOM 0 H GLU A 21 -23.263 -15.723 8.119 1.00 0.00 H new ATOM 0 HA GLU A 21 -22.669 -18.004 6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.637 -15.794 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -22.149 -15.007 6.042 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.835 -16.395 4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -22.249 -17.351 4.076 1.00 0.00 H new ATOM 367 N LYS A 22 -20.278 -18.316 6.876 1.00 0.00 N ATOM 368 CA LYS A 22 -18.832 -18.525 7.172 1.00 0.00 C ATOM 369 C LYS A 22 -17.974 -17.835 6.112 1.00 0.00 C ATOM 370 O LYS A 22 -18.255 -17.886 4.928 1.00 0.00 O ATOM 371 CB LYS A 22 -18.533 -20.028 7.182 1.00 0.00 C ATOM 372 CG LYS A 22 -17.079 -20.261 7.598 1.00 0.00 C ATOM 373 CD LYS A 22 -16.809 -21.764 7.703 1.00 0.00 C ATOM 374 CE LYS A 22 -15.363 -21.998 8.151 1.00 0.00 C ATOM 375 NZ LYS A 22 -14.430 -21.546 7.081 1.00 0.00 N ATOM 0 H LYS A 22 -20.768 -19.142 6.533 1.00 0.00 H new ATOM 0 HA LYS A 22 -18.597 -18.097 8.146 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -19.205 -20.538 7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -18.711 -20.451 6.193 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -16.405 -19.810 6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -16.882 -19.778 8.555 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.499 -22.218 8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.984 -22.243 6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.165 -21.454 9.074 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.204 -23.055 8.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.488 -21.956 7.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.786 -21.858 6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -14.363 -20.508 7.094 1.00 0.00 H new ATOM 389 N TRP A 23 -16.929 -17.180 6.542 1.00 0.00 N ATOM 390 CA TRP A 23 -16.027 -16.461 5.591 1.00 0.00 C ATOM 391 C TRP A 23 -14.786 -17.305 5.311 1.00 0.00 C ATOM 392 O TRP A 23 -14.378 -18.127 6.111 1.00 0.00 O ATOM 393 CB TRP A 23 -15.587 -15.129 6.212 1.00 0.00 C ATOM 394 CG TRP A 23 -16.683 -14.121 6.101 1.00 0.00 C ATOM 395 CD1 TRP A 23 -17.111 -13.564 4.946 1.00 0.00 C ATOM 396 CD2 TRP A 23 -17.488 -13.535 7.163 1.00 0.00 C ATOM 397 NE1 TRP A 23 -18.135 -12.677 5.231 1.00 0.00 N ATOM 398 CE2 TRP A 23 -18.406 -12.628 6.583 1.00 0.00 C ATOM 399 CE3 TRP A 23 -17.517 -13.711 8.556 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -19.311 -11.908 7.363 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -18.427 -12.989 9.345 1.00 0.00 C ATOM 402 CH2 TRP A 23 -19.327 -12.094 8.749 1.00 0.00 C ATOM 0 H TRP A 23 -16.657 -17.111 7.523 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.566 -16.281 4.661 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -15.324 -15.277 7.259 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -14.693 -14.762 5.708 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -16.719 -13.776 3.962 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -18.629 -12.127 4.528 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -16.835 -14.406 9.023 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -19.995 -11.212 6.900 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -18.434 -13.124 10.417 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -20.032 -11.549 9.360 1.00 0.00 H new ATOM 413 N GLU A 24 -14.178 -17.086 4.175 1.00 0.00 N ATOM 414 CA GLU A 24 -12.946 -17.842 3.801 1.00 0.00 C ATOM 415 C GLU A 24 -11.750 -16.893 3.862 1.00 0.00 C ATOM 416 O GLU A 24 -11.661 -15.932 3.122 1.00 0.00 O ATOM 417 CB GLU A 24 -13.099 -18.392 2.384 1.00 0.00 C ATOM 418 CG GLU A 24 -14.170 -19.485 2.380 1.00 0.00 C ATOM 419 CD GLU A 24 -14.391 -19.985 0.950 1.00 0.00 C ATOM 420 OE1 GLU A 24 -13.736 -19.476 0.057 1.00 0.00 O ATOM 421 OE2 GLU A 24 -15.211 -20.872 0.775 1.00 0.00 O ATOM 0 H GLU A 24 -14.487 -16.406 3.481 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.792 -18.672 4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.377 -17.591 1.699 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.149 -18.796 2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.863 -20.311 3.021 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.103 -19.095 2.788 1.00 0.00 H new ATOM 428 N CYS A 25 -10.839 -17.157 4.756 1.00 0.00 N ATOM 429 CA CYS A 25 -9.645 -16.279 4.911 1.00 0.00 C ATOM 430 C CYS A 25 -8.591 -16.612 3.856 1.00 0.00 C ATOM 431 O CYS A 25 -8.380 -17.757 3.499 1.00 0.00 O ATOM 432 CB CYS A 25 -9.047 -16.484 6.306 1.00 0.00 C ATOM 433 SG CYS A 25 -8.204 -18.088 6.385 1.00 0.00 S ATOM 0 H CYS A 25 -10.871 -17.953 5.393 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.953 -15.241 4.783 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.344 -15.682 6.531 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.834 -16.439 7.059 1.00 0.00 H new ATOM 0 HG CYS A 25 -7.980 -18.520 5.180 1.00 0.00 H new ATOM 439 N GLU A 26 -7.920 -15.604 3.368 1.00 0.00 N ATOM 440 CA GLU A 26 -6.858 -15.817 2.343 1.00 0.00 C ATOM 441 C GLU A 26 -5.698 -14.863 2.637 1.00 0.00 C ATOM 442 O GLU A 26 -5.706 -13.707 2.247 1.00 0.00 O ATOM 443 CB GLU A 26 -7.424 -15.540 0.951 1.00 0.00 C ATOM 444 CG GLU A 26 -6.355 -15.852 -0.095 1.00 0.00 C ATOM 445 CD GLU A 26 -6.927 -15.641 -1.498 1.00 0.00 C ATOM 446 OE1 GLU A 26 -8.136 -15.534 -1.615 1.00 0.00 O ATOM 447 OE2 GLU A 26 -6.145 -15.594 -2.433 1.00 0.00 O ATOM 0 H GLU A 26 -8.064 -14.631 3.639 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.505 -16.848 2.377 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.310 -16.151 0.777 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.735 -14.498 0.872 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.488 -15.209 0.055 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.012 -16.881 0.017 1.00 0.00 H new ATOM 454 N SER A 27 -4.712 -15.345 3.345 1.00 0.00 N ATOM 455 CA SER A 27 -3.542 -14.495 3.701 1.00 0.00 C ATOM 456 C SER A 27 -2.575 -14.395 2.524 1.00 0.00 C ATOM 457 O SER A 27 -2.231 -15.378 1.892 1.00 0.00 O ATOM 458 CB SER A 27 -2.826 -15.107 4.905 1.00 0.00 C ATOM 459 OG SER A 27 -3.782 -15.428 5.907 1.00 0.00 O ATOM 0 H SER A 27 -4.668 -16.302 3.695 1.00 0.00 H new ATOM 0 HA SER A 27 -3.892 -13.493 3.947 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.284 -16.003 4.603 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.090 -14.407 5.300 1.00 0.00 H new ATOM 0 HG SER A 27 -3.326 -15.822 6.680 1.00 0.00 H new ATOM 465 N ILE A 28 -2.134 -13.204 2.240 1.00 0.00 N ATOM 466 CA ILE A 28 -1.175 -12.989 1.120 1.00 0.00 C ATOM 467 C ILE A 28 -0.343 -11.738 1.411 1.00 0.00 C ATOM 468 O ILE A 28 -0.841 -10.750 1.919 1.00 0.00 O ATOM 469 CB ILE A 28 -1.937 -12.812 -0.196 1.00 0.00 C ATOM 470 CG1 ILE A 28 -0.931 -12.741 -1.348 1.00 0.00 C ATOM 471 CG2 ILE A 28 -2.760 -11.521 -0.154 1.00 0.00 C ATOM 472 CD1 ILE A 28 -1.671 -12.820 -2.684 1.00 0.00 C ATOM 0 H ILE A 28 -2.400 -12.357 2.743 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.519 -13.855 1.030 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.611 -13.656 -0.343 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.363 -11.813 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.215 -13.559 -1.269 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.299 -11.402 -1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.473 -11.570 0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.095 -10.670 -0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.952 -12.769 -3.502 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.220 -13.760 -2.741 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.370 -11.987 -2.763 1.00 0.00 H new ATOM 484 N GLU A 29 0.924 -11.780 1.099 1.00 0.00 N ATOM 485 CA GLU A 29 1.812 -10.606 1.357 1.00 0.00 C ATOM 486 C GLU A 29 1.915 -9.744 0.102 1.00 0.00 C ATOM 487 O GLU A 29 2.268 -10.213 -0.965 1.00 0.00 O ATOM 488 CB GLU A 29 3.202 -11.106 1.755 1.00 0.00 C ATOM 489 CG GLU A 29 3.118 -11.774 3.127 1.00 0.00 C ATOM 490 CD GLU A 29 4.488 -12.331 3.515 1.00 0.00 C ATOM 491 OE1 GLU A 29 5.415 -12.168 2.740 1.00 0.00 O ATOM 492 OE2 GLU A 29 4.589 -12.910 4.586 1.00 0.00 O ATOM 0 H GLU A 29 1.387 -12.583 0.673 1.00 0.00 H new ATOM 0 HA GLU A 29 1.393 -10.005 2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.574 -11.814 1.014 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.907 -10.275 1.784 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.783 -11.053 3.873 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.381 -12.577 3.107 1.00 0.00 H new ATOM 499 N GLU A 30 1.597 -8.481 0.226 1.00 0.00 N ATOM 500 CA GLU A 30 1.657 -7.564 -0.950 1.00 0.00 C ATOM 501 C GLU A 30 2.201 -6.198 -0.527 1.00 0.00 C ATOM 502 O GLU A 30 2.173 -5.830 0.632 1.00 0.00 O ATOM 503 CB GLU A 30 0.253 -7.392 -1.532 1.00 0.00 C ATOM 504 CG GLU A 30 -0.208 -8.715 -2.141 1.00 0.00 C ATOM 505 CD GLU A 30 -1.617 -8.555 -2.716 1.00 0.00 C ATOM 506 OE1 GLU A 30 -2.160 -7.469 -2.615 1.00 0.00 O ATOM 507 OE2 GLU A 30 -2.129 -9.526 -3.255 1.00 0.00 O ATOM 0 H GLU A 30 1.297 -8.044 1.097 1.00 0.00 H new ATOM 0 HA GLU A 30 2.319 -7.994 -1.702 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.440 -7.077 -0.752 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.255 -6.610 -2.292 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.482 -9.025 -2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.201 -9.498 -1.382 1.00 0.00 H new ATOM 514 N VAL A 31 2.693 -5.449 -1.478 1.00 0.00 N ATOM 515 CA VAL A 31 3.249 -4.100 -1.183 1.00 0.00 C ATOM 516 C VAL A 31 2.122 -3.145 -0.786 1.00 0.00 C ATOM 517 O VAL A 31 1.062 -3.122 -1.383 1.00 0.00 O ATOM 518 CB VAL A 31 3.966 -3.559 -2.425 1.00 0.00 C ATOM 519 CG1 VAL A 31 4.668 -2.244 -2.079 1.00 0.00 C ATOM 520 CG2 VAL A 31 5.008 -4.578 -2.901 1.00 0.00 C ATOM 0 H VAL A 31 2.733 -5.721 -2.460 1.00 0.00 H new ATOM 0 HA VAL A 31 3.957 -4.178 -0.358 1.00 0.00 H new ATOM 0 HB VAL A 31 3.236 -3.387 -3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.178 -1.860 -2.963 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.931 -1.516 -1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.396 -2.418 -1.287 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.517 -4.192 -3.784 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.736 -4.751 -2.109 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.512 -5.517 -3.149 1.00 0.00 H new ATOM 530 N ALA A 32 2.356 -2.356 0.227 1.00 0.00 N ATOM 531 CA ALA A 32 1.321 -1.389 0.695 1.00 0.00 C ATOM 532 C ALA A 32 0.893 -0.482 -0.462 1.00 0.00 C ATOM 533 O ALA A 32 -0.271 -0.166 -0.625 1.00 0.00 O ATOM 534 CB ALA A 32 1.922 -0.528 1.810 1.00 0.00 C ATOM 0 H ALA A 32 3.228 -2.340 0.756 1.00 0.00 H new ATOM 0 HA ALA A 32 0.452 -1.934 1.063 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.176 0.184 2.162 1.00 0.00 H new ATOM 0 HB2 ALA A 32 2.232 -1.167 2.637 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.787 0.013 1.426 1.00 0.00 H new ATOM 540 N ASP A 33 1.830 -0.048 -1.256 1.00 0.00 N ATOM 541 CA ASP A 33 1.493 0.851 -2.399 1.00 0.00 C ATOM 542 C ASP A 33 0.562 0.124 -3.382 1.00 0.00 C ATOM 543 O ASP A 33 -0.321 0.715 -3.975 1.00 0.00 O ATOM 544 CB ASP A 33 2.792 1.240 -3.125 1.00 0.00 C ATOM 545 CG ASP A 33 3.457 2.440 -2.445 1.00 0.00 C ATOM 546 OD1 ASP A 33 2.868 2.987 -1.527 1.00 0.00 O ATOM 547 OD2 ASP A 33 4.556 2.790 -2.852 1.00 0.00 O ATOM 0 H ASP A 33 2.820 -0.277 -1.164 1.00 0.00 H new ATOM 0 HA ASP A 33 0.990 1.742 -2.024 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.478 0.393 -3.131 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.574 1.481 -4.166 1.00 0.00 H new ATOM 552 N ASP A 34 0.773 -1.150 -3.574 1.00 0.00 N ATOM 553 CA ASP A 34 -0.077 -1.919 -4.536 1.00 0.00 C ATOM 554 C ASP A 34 -1.525 -2.001 -4.040 1.00 0.00 C ATOM 555 O ASP A 34 -2.460 -1.818 -4.800 1.00 0.00 O ATOM 556 CB ASP A 34 0.493 -3.338 -4.681 1.00 0.00 C ATOM 557 CG ASP A 34 1.611 -3.354 -5.727 1.00 0.00 C ATOM 558 OD1 ASP A 34 1.458 -2.692 -6.740 1.00 0.00 O ATOM 559 OD2 ASP A 34 2.596 -4.040 -5.502 1.00 0.00 O ATOM 0 H ASP A 34 1.498 -1.695 -3.107 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.071 -1.408 -5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.878 -3.683 -3.721 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.299 -4.028 -4.974 1.00 0.00 H new ATOM 564 N ILE A 35 -1.723 -2.287 -2.780 1.00 0.00 N ATOM 565 CA ILE A 35 -3.118 -2.398 -2.250 1.00 0.00 C ATOM 566 C ILE A 35 -3.535 -1.081 -1.607 1.00 0.00 C ATOM 567 O ILE A 35 -4.707 -0.852 -1.360 1.00 0.00 O ATOM 568 CB ILE A 35 -3.183 -3.523 -1.212 1.00 0.00 C ATOM 569 CG1 ILE A 35 -4.630 -3.687 -0.737 1.00 0.00 C ATOM 570 CG2 ILE A 35 -2.289 -3.188 -0.017 1.00 0.00 C ATOM 571 CD1 ILE A 35 -4.761 -4.978 0.072 1.00 0.00 C ATOM 0 H ILE A 35 -0.984 -2.448 -2.096 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.798 -2.623 -3.072 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.835 -4.451 -1.666 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.922 -2.832 -0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.304 -3.713 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.343 -3.994 0.715 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.259 -3.072 -0.354 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.627 -2.259 0.441 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.791 -5.093 0.409 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.486 -5.828 -0.552 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.099 -4.934 0.937 1.00 0.00 H new ATOM 583 N LEU A 36 -2.592 -0.205 -1.339 1.00 0.00 N ATOM 584 CA LEU A 36 -2.930 1.110 -0.722 1.00 0.00 C ATOM 585 C LEU A 36 -2.439 2.242 -1.638 1.00 0.00 C ATOM 586 O LEU A 36 -1.269 2.568 -1.643 1.00 0.00 O ATOM 587 CB LEU A 36 -2.256 1.217 0.662 1.00 0.00 C ATOM 588 CG LEU A 36 -3.274 1.739 1.690 1.00 0.00 C ATOM 589 CD1 LEU A 36 -3.864 3.083 1.209 1.00 0.00 C ATOM 590 CD2 LEU A 36 -4.410 0.698 1.889 1.00 0.00 C ATOM 0 H LEU A 36 -1.599 -0.350 -1.524 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.010 1.193 -0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.879 0.242 0.971 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.399 1.888 0.610 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.769 1.895 2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.584 3.447 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.062 3.812 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.363 2.939 0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.126 1.076 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.916 0.526 0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.986 -0.239 2.249 1.00 0.00 H new ATOM 602 N PRO A 37 -3.314 2.840 -2.403 1.00 0.00 N ATOM 603 CA PRO A 37 -2.932 3.943 -3.322 1.00 0.00 C ATOM 604 C PRO A 37 -2.058 5.002 -2.636 1.00 0.00 C ATOM 605 O PRO A 37 -2.009 5.104 -1.423 1.00 0.00 O ATOM 606 CB PRO A 37 -4.281 4.537 -3.755 1.00 0.00 C ATOM 607 CG PRO A 37 -5.258 3.411 -3.635 1.00 0.00 C ATOM 608 CD PRO A 37 -4.757 2.535 -2.490 1.00 0.00 C ATOM 0 HA PRO A 37 -2.329 3.587 -4.157 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.565 5.375 -3.119 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.236 4.913 -4.777 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.261 3.786 -3.429 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.314 2.843 -4.564 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.270 2.768 -1.557 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.929 1.478 -2.693 1.00 0.00 H new ATOM 616 N ASP A 38 -1.366 5.782 -3.420 1.00 0.00 N ATOM 617 CA ASP A 38 -0.481 6.839 -2.852 1.00 0.00 C ATOM 618 C ASP A 38 -1.337 7.865 -2.110 1.00 0.00 C ATOM 619 O ASP A 38 -0.853 8.629 -1.294 1.00 0.00 O ATOM 620 CB ASP A 38 0.265 7.535 -3.991 1.00 0.00 C ATOM 621 CG ASP A 38 1.320 6.590 -4.569 1.00 0.00 C ATOM 622 OD1 ASP A 38 1.598 5.586 -3.936 1.00 0.00 O ATOM 623 OD2 ASP A 38 1.833 6.889 -5.636 1.00 0.00 O ATOM 0 H ASP A 38 -1.376 5.732 -4.439 1.00 0.00 H new ATOM 0 HA ASP A 38 0.235 6.390 -2.163 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.437 7.832 -4.770 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.740 8.445 -3.625 1.00 0.00 H new ATOM 628 N GLN A 39 -2.611 7.879 -2.393 1.00 0.00 N ATOM 629 CA GLN A 39 -3.531 8.847 -1.724 1.00 0.00 C ATOM 630 C GLN A 39 -3.223 8.915 -0.227 1.00 0.00 C ATOM 631 O GLN A 39 -3.317 9.962 0.385 1.00 0.00 O ATOM 632 CB GLN A 39 -4.975 8.376 -1.923 1.00 0.00 C ATOM 633 CG GLN A 39 -5.948 9.426 -1.378 1.00 0.00 C ATOM 634 CD GLN A 39 -5.844 10.701 -2.217 1.00 0.00 C ATOM 635 OE1 GLN A 39 -5.696 10.640 -3.421 1.00 0.00 O ATOM 636 NE2 GLN A 39 -5.911 11.861 -1.625 1.00 0.00 N ATOM 0 H GLN A 39 -3.059 7.256 -3.065 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.395 9.837 -2.159 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.168 8.205 -2.982 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.130 7.425 -1.413 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -6.968 9.042 -1.406 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.718 9.644 -0.335 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.035 11.911 -0.614 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -5.839 12.718 -2.173 1.00 0.00 H new ATOM 645 N TYR A 40 -2.851 7.808 0.362 1.00 0.00 N ATOM 646 CA TYR A 40 -2.523 7.788 1.823 1.00 0.00 C ATOM 647 C TYR A 40 -1.077 7.331 2.007 1.00 0.00 C ATOM 648 O TYR A 40 -0.591 7.216 3.115 1.00 0.00 O ATOM 649 CB TYR A 40 -3.469 6.822 2.539 1.00 0.00 C ATOM 650 CG TYR A 40 -4.810 7.485 2.750 1.00 0.00 C ATOM 651 CD1 TYR A 40 -5.030 8.270 3.888 1.00 0.00 C ATOM 652 CD2 TYR A 40 -5.832 7.316 1.809 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.270 8.887 4.086 1.00 0.00 C ATOM 654 CE2 TYR A 40 -7.075 7.932 2.006 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.292 8.719 3.145 1.00 0.00 C ATOM 656 OH TYR A 40 -8.516 9.326 3.340 1.00 0.00 O ATOM 0 H TYR A 40 -2.759 6.908 -0.109 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.642 8.786 2.244 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.591 5.913 1.950 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.044 6.526 3.498 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.241 8.400 4.614 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.663 6.711 0.931 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.438 9.492 4.964 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.865 7.800 1.281 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.112 9.108 2.593 1.00 0.00 H new ATOM 666 N VAL A 41 -0.384 7.079 0.924 1.00 0.00 N ATOM 667 CA VAL A 41 1.041 6.636 1.017 1.00 0.00 C ATOM 668 C VAL A 41 1.892 7.521 0.103 1.00 0.00 C ATOM 669 O VAL A 41 2.499 7.063 -0.846 1.00 0.00 O ATOM 670 CB VAL A 41 1.161 5.170 0.594 1.00 0.00 C ATOM 671 CG1 VAL A 41 2.557 4.652 0.933 1.00 0.00 C ATOM 672 CG2 VAL A 41 0.116 4.337 1.339 1.00 0.00 C ATOM 0 H VAL A 41 -0.747 7.162 -0.026 1.00 0.00 H new ATOM 0 HA VAL A 41 1.391 6.728 2.045 1.00 0.00 H new ATOM 0 HB VAL A 41 0.994 5.089 -0.480 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.641 3.608 0.631 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.303 5.244 0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.725 4.734 2.007 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.201 3.293 1.038 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.283 4.420 2.413 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.882 4.704 1.097 1.00 0.00 H new ATOM 682 N ARG A 42 1.932 8.793 0.403 1.00 0.00 N ATOM 683 CA ARG A 42 2.735 9.746 -0.419 1.00 0.00 C ATOM 684 C ARG A 42 4.215 9.376 -0.329 1.00 0.00 C ATOM 685 O ARG A 42 4.921 9.353 -1.321 1.00 0.00 O ATOM 686 CB ARG A 42 2.529 11.162 0.130 1.00 0.00 C ATOM 687 CG ARG A 42 1.114 11.643 -0.202 1.00 0.00 C ATOM 688 CD ARG A 42 0.901 13.049 0.367 1.00 0.00 C ATOM 689 NE ARG A 42 0.885 12.993 1.858 1.00 0.00 N ATOM 690 CZ ARG A 42 -0.143 12.495 2.497 1.00 0.00 C ATOM 691 NH1 ARG A 42 -1.171 12.029 1.840 1.00 0.00 N ATOM 692 NH2 ARG A 42 -0.137 12.465 3.799 1.00 0.00 N ATOM 0 H ARG A 42 1.438 9.216 1.189 1.00 0.00 H new ATOM 0 HA ARG A 42 2.416 9.699 -1.460 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.682 11.170 1.209 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.265 11.840 -0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.966 11.651 -1.282 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.378 10.956 0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.696 13.713 0.027 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.038 13.462 -0.001 1.00 0.00 H new ATOM 0 HE ARG A 42 1.684 13.347 2.385 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.177 12.051 0.820 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.968 11.643 2.347 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.665 12.828 4.314 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.935 12.078 4.304 1.00 0.00 H new ATOM 706 N LEU A 43 4.687 9.087 0.857 1.00 0.00 N ATOM 707 CA LEU A 43 6.118 8.717 1.029 1.00 0.00 C ATOM 708 C LEU A 43 6.356 8.271 2.481 1.00 0.00 C ATOM 709 O LEU A 43 7.452 8.366 2.999 1.00 0.00 O ATOM 710 CB LEU A 43 6.998 9.934 0.710 1.00 0.00 C ATOM 711 CG LEU A 43 8.429 9.475 0.368 1.00 0.00 C ATOM 712 CD1 LEU A 43 8.522 9.101 -1.119 1.00 0.00 C ATOM 713 CD2 LEU A 43 9.410 10.609 0.666 1.00 0.00 C ATOM 0 H LEU A 43 4.137 9.092 1.716 1.00 0.00 H new ATOM 0 HA LEU A 43 6.372 7.900 0.354 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.575 10.489 -0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.019 10.612 1.563 1.00 0.00 H new ATOM 0 HG LEU A 43 8.677 8.602 0.972 1.00 0.00 H new ATOM 0 HD11 LEU A 43 9.537 8.778 -1.350 1.00 0.00 H new ATOM 0 HD12 LEU A 43 7.826 8.291 -1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.269 9.968 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.423 10.287 0.425 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.153 11.480 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.354 10.870 1.723 1.00 0.00 H new ATOM 725 N GLY A 44 5.330 7.800 3.135 1.00 0.00 N ATOM 726 CA GLY A 44 5.470 7.354 4.556 1.00 0.00 C ATOM 727 C GLY A 44 6.227 6.024 4.625 1.00 0.00 C ATOM 728 O GLY A 44 6.757 5.549 3.640 1.00 0.00 O ATOM 0 H GLY A 44 4.392 7.703 2.745 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.001 8.112 5.131 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.484 7.243 5.008 1.00 0.00 H new ATOM 732 N PRO A 45 6.277 5.429 5.792 1.00 0.00 N ATOM 733 CA PRO A 45 6.978 4.125 6.006 1.00 0.00 C ATOM 734 C PRO A 45 6.409 3.023 5.103 1.00 0.00 C ATOM 735 O PRO A 45 7.068 2.049 4.792 1.00 0.00 O ATOM 736 CB PRO A 45 6.722 3.802 7.491 1.00 0.00 C ATOM 737 CG PRO A 45 6.356 5.108 8.124 1.00 0.00 C ATOM 738 CD PRO A 45 5.668 5.928 7.034 1.00 0.00 C ATOM 0 HA PRO A 45 8.039 4.184 5.761 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.919 3.073 7.602 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.609 3.374 7.958 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.692 4.956 8.975 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.242 5.622 8.498 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.588 5.778 7.040 1.00 0.00 H new ATOM 0 HD3 PRO A 45 5.842 6.996 7.165 1.00 0.00 H new ATOM 746 N LEU A 46 5.183 3.184 4.685 1.00 0.00 N ATOM 747 CA LEU A 46 4.538 2.170 3.802 1.00 0.00 C ATOM 748 C LEU A 46 4.880 2.501 2.344 1.00 0.00 C ATOM 749 O LEU A 46 4.270 2.003 1.416 1.00 0.00 O ATOM 750 CB LEU A 46 3.020 2.206 4.004 1.00 0.00 C ATOM 751 CG LEU A 46 2.695 2.242 5.501 1.00 0.00 C ATOM 752 CD1 LEU A 46 1.180 2.135 5.702 1.00 0.00 C ATOM 753 CD2 LEU A 46 3.389 1.074 6.210 1.00 0.00 C ATOM 0 H LEU A 46 4.594 3.983 4.920 1.00 0.00 H new ATOM 0 HA LEU A 46 4.902 1.172 4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.599 3.082 3.510 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.562 1.330 3.544 1.00 0.00 H new ATOM 0 HG LEU A 46 3.051 3.182 5.922 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.952 2.161 6.767 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.687 2.970 5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.822 1.197 5.277 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.155 1.104 7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.039 0.132 5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.467 1.154 6.073 1.00 0.00 H new ATOM 765 N SER A 47 5.857 3.349 2.149 1.00 0.00 N ATOM 766 CA SER A 47 6.262 3.738 0.764 1.00 0.00 C ATOM 767 C SER A 47 6.582 2.481 -0.051 1.00 0.00 C ATOM 768 O SER A 47 6.254 2.386 -1.219 1.00 0.00 O ATOM 769 CB SER A 47 7.509 4.623 0.837 1.00 0.00 C ATOM 770 OG SER A 47 7.156 5.901 1.349 1.00 0.00 O ATOM 0 H SER A 47 6.395 3.791 2.894 1.00 0.00 H new ATOM 0 HA SER A 47 5.448 4.282 0.285 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.260 4.159 1.476 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.953 4.726 -0.153 1.00 0.00 H new ATOM 0 HG SER A 47 7.372 5.942 2.304 1.00 0.00 H new ATOM 776 N ASN A 48 7.218 1.518 0.558 1.00 0.00 N ATOM 777 CA ASN A 48 7.561 0.262 -0.172 1.00 0.00 C ATOM 778 C ASN A 48 7.643 -0.892 0.830 1.00 0.00 C ATOM 779 O ASN A 48 8.306 -1.886 0.600 1.00 0.00 O ATOM 780 CB ASN A 48 8.907 0.435 -0.880 1.00 0.00 C ATOM 781 CG ASN A 48 9.119 -0.723 -1.858 1.00 0.00 C ATOM 782 OD1 ASN A 48 8.172 -1.349 -2.292 1.00 0.00 O ATOM 783 ND2 ASN A 48 10.331 -1.032 -2.230 1.00 0.00 N ATOM 0 H ASN A 48 7.516 1.546 1.533 1.00 0.00 H new ATOM 0 HA ASN A 48 6.794 0.043 -0.915 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.930 1.385 -1.414 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.715 0.460 -0.148 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.484 -1.799 -2.885 1.00 0.00 H new ATOM 0 HD22 ASN A 48 11.126 -0.507 -1.866 1.00 0.00 H new ATOM 790 N LYS A 49 6.979 -0.757 1.948 1.00 0.00 N ATOM 791 CA LYS A 49 7.015 -1.835 2.981 1.00 0.00 C ATOM 792 C LYS A 49 5.977 -2.914 2.662 1.00 0.00 C ATOM 793 O LYS A 49 4.848 -2.630 2.307 1.00 0.00 O ATOM 794 CB LYS A 49 6.732 -1.233 4.364 1.00 0.00 C ATOM 795 CG LYS A 49 7.290 -2.157 5.455 1.00 0.00 C ATOM 796 CD LYS A 49 7.167 -1.485 6.826 1.00 0.00 C ATOM 797 CE LYS A 49 5.721 -1.567 7.325 1.00 0.00 C ATOM 798 NZ LYS A 49 5.666 -1.140 8.750 1.00 0.00 N ATOM 0 H LYS A 49 6.412 0.055 2.191 1.00 0.00 H new ATOM 0 HA LYS A 49 8.005 -2.292 2.980 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.188 -0.246 4.442 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.659 -1.100 4.501 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.747 -3.102 5.455 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.335 -2.389 5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.834 -1.970 7.539 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.478 -0.442 6.758 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.078 -0.930 6.718 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.347 -2.586 7.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.689 -0.885 8.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.986 -1.920 9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.285 -0.316 8.890 1.00 0.00 H new ATOM 812 N ILE A 50 6.367 -4.152 2.794 1.00 0.00 N ATOM 813 CA ILE A 50 5.434 -5.275 2.509 1.00 0.00 C ATOM 814 C ILE A 50 4.510 -5.498 3.705 1.00 0.00 C ATOM 815 O ILE A 50 4.952 -5.708 4.820 1.00 0.00 O ATOM 816 CB ILE A 50 6.250 -6.542 2.238 1.00 0.00 C ATOM 817 CG1 ILE A 50 6.995 -6.386 0.906 1.00 0.00 C ATOM 818 CG2 ILE A 50 5.318 -7.755 2.165 1.00 0.00 C ATOM 819 CD1 ILE A 50 8.037 -5.259 1.003 1.00 0.00 C ATOM 0 H ILE A 50 7.301 -4.435 3.090 1.00 0.00 H new ATOM 0 HA ILE A 50 4.826 -5.036 1.636 1.00 0.00 H new ATOM 0 HB ILE A 50 6.967 -6.692 3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.487 -7.323 0.645 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.285 -6.166 0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.904 -8.653 1.972 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.788 -7.864 3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.597 -7.612 1.360 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.557 -5.161 0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.537 -4.320 1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.757 -5.496 1.786 1.00 0.00 H new ATOM 831 N LEU A 51 3.225 -5.448 3.471 1.00 0.00 N ATOM 832 CA LEU A 51 2.233 -5.646 4.572 1.00 0.00 C ATOM 833 C LEU A 51 1.490 -6.966 4.376 1.00 0.00 C ATOM 834 O LEU A 51 1.025 -7.287 3.293 1.00 0.00 O ATOM 835 CB LEU A 51 1.232 -4.488 4.562 1.00 0.00 C ATOM 836 CG LEU A 51 1.987 -3.156 4.668 1.00 0.00 C ATOM 837 CD1 LEU A 51 0.986 -1.997 4.623 1.00 0.00 C ATOM 838 CD2 LEU A 51 2.773 -3.106 5.989 1.00 0.00 C ATOM 0 H LEU A 51 2.815 -5.276 2.553 1.00 0.00 H new ATOM 0 HA LEU A 51 2.756 -5.673 5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.642 -4.512 3.646 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.534 -4.590 5.393 1.00 0.00 H new ATOM 0 HG LEU A 51 2.683 -3.069 3.834 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.522 -1.051 4.698 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.435 -2.028 3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.288 -2.086 5.456 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.307 -2.158 6.059 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.082 -3.196 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.488 -3.928 6.018 1.00 0.00 H new ATOM 850 N GLN A 52 1.378 -7.731 5.429 1.00 0.00 N ATOM 851 CA GLN A 52 0.669 -9.038 5.345 1.00 0.00 C ATOM 852 C GLN A 52 -0.832 -8.788 5.240 1.00 0.00 C ATOM 853 O GLN A 52 -1.511 -8.553 6.225 1.00 0.00 O ATOM 854 CB GLN A 52 0.974 -9.859 6.599 1.00 0.00 C ATOM 855 CG GLN A 52 0.597 -11.326 6.367 1.00 0.00 C ATOM 856 CD GLN A 52 -0.929 -11.468 6.317 1.00 0.00 C ATOM 857 OE1 GLN A 52 -1.465 -12.015 5.374 1.00 0.00 O ATOM 858 NE2 GLN A 52 -1.654 -10.992 7.293 1.00 0.00 N ATOM 0 H GLN A 52 1.751 -7.503 6.351 1.00 0.00 H new ATOM 0 HA GLN A 52 1.005 -9.588 4.466 1.00 0.00 H new ATOM 0 HB2 GLN A 52 2.033 -9.781 6.846 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.418 -9.462 7.448 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.035 -11.681 5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.003 -11.946 7.166 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -1.205 -10.533 8.085 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -2.670 -11.080 7.263 1.00 0.00 H new ATOM 867 N THR A 53 -1.349 -8.828 4.047 1.00 0.00 N ATOM 868 CA THR A 53 -2.803 -8.583 3.847 1.00 0.00 C ATOM 869 C THR A 53 -3.596 -9.874 4.044 1.00 0.00 C ATOM 870 O THR A 53 -3.073 -10.970 3.949 1.00 0.00 O ATOM 871 CB THR A 53 -3.026 -8.062 2.420 1.00 0.00 C ATOM 872 OG1 THR A 53 -3.058 -9.158 1.514 1.00 0.00 O ATOM 873 CG2 THR A 53 -1.883 -7.118 2.026 1.00 0.00 C ATOM 0 H THR A 53 -0.823 -9.021 3.195 1.00 0.00 H new ATOM 0 HA THR A 53 -3.146 -7.849 4.576 1.00 0.00 H new ATOM 0 HB THR A 53 -3.972 -7.523 2.381 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.333 -9.782 1.729 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.047 -6.752 1.013 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.853 -6.275 2.716 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.936 -7.656 2.069 1.00 0.00 H new ATOM 881 N ASN A 54 -4.866 -9.738 4.309 1.00 0.00 N ATOM 882 CA ASN A 54 -5.736 -10.935 4.507 1.00 0.00 C ATOM 883 C ASN A 54 -7.145 -10.603 4.024 1.00 0.00 C ATOM 884 O ASN A 54 -7.901 -9.920 4.689 1.00 0.00 O ATOM 885 CB ASN A 54 -5.761 -11.324 5.988 1.00 0.00 C ATOM 886 CG ASN A 54 -6.120 -10.110 6.845 1.00 0.00 C ATOM 887 OD1 ASN A 54 -5.194 -9.236 7.140 1.00 0.00 O flip ATOM 888 ND2 ASN A 54 -7.253 -9.955 7.253 1.00 0.00 N flip ATOM 0 H ASN A 54 -5.344 -8.841 4.398 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.343 -11.777 3.937 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.487 -12.121 6.150 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.788 -11.714 6.286 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.976 -10.637 7.023 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.482 -9.143 7.826 1.00 0.00 H new ATOM 895 N THR A 55 -7.488 -11.077 2.853 1.00 0.00 N ATOM 896 CA THR A 55 -8.837 -10.800 2.277 1.00 0.00 C ATOM 897 C THR A 55 -9.789 -11.949 2.582 1.00 0.00 C ATOM 898 O THR A 55 -9.429 -13.112 2.521 1.00 0.00 O ATOM 899 CB THR A 55 -8.719 -10.631 0.762 1.00 0.00 C ATOM 900 OG1 THR A 55 -7.807 -9.580 0.476 1.00 0.00 O ATOM 901 CG2 THR A 55 -10.092 -10.288 0.176 1.00 0.00 C ATOM 0 H THR A 55 -6.883 -11.651 2.266 1.00 0.00 H new ATOM 0 HA THR A 55 -9.229 -9.886 2.723 1.00 0.00 H new ATOM 0 HB THR A 55 -8.358 -11.559 0.319 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.728 -9.471 -0.495 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.007 -10.168 -0.904 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.793 -11.092 0.397 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.454 -9.359 0.617 1.00 0.00 H new ATOM 909 N TYR A 56 -11.011 -11.621 2.903 1.00 0.00 N ATOM 910 CA TYR A 56 -12.033 -12.662 3.209 1.00 0.00 C ATOM 911 C TYR A 56 -12.996 -12.751 2.033 1.00 0.00 C ATOM 912 O TYR A 56 -13.421 -11.745 1.496 1.00 0.00 O ATOM 913 CB TYR A 56 -12.800 -12.266 4.470 1.00 0.00 C ATOM 914 CG TYR A 56 -11.866 -12.320 5.652 1.00 0.00 C ATOM 915 CD1 TYR A 56 -11.079 -11.208 5.976 1.00 0.00 C ATOM 916 CD2 TYR A 56 -11.781 -13.486 6.421 1.00 0.00 C ATOM 917 CE1 TYR A 56 -10.206 -11.264 7.068 1.00 0.00 C ATOM 918 CE2 TYR A 56 -10.910 -13.542 7.514 1.00 0.00 C ATOM 919 CZ TYR A 56 -10.122 -12.432 7.839 1.00 0.00 C ATOM 920 OH TYR A 56 -9.260 -12.487 8.915 1.00 0.00 O ATOM 0 H TYR A 56 -11.349 -10.661 2.967 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.552 -13.626 3.373 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -13.211 -11.262 4.361 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.642 -12.940 4.625 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -11.146 -10.308 5.383 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -12.388 -14.343 6.170 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -9.597 -10.408 7.317 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -10.846 -14.442 8.107 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.325 -13.367 9.342 1.00 0.00 H new ATOM 930 N TYR A 57 -13.327 -13.945 1.612 1.00 0.00 N ATOM 931 CA TYR A 57 -14.251 -14.108 0.447 1.00 0.00 C ATOM 932 C TYR A 57 -15.475 -14.928 0.841 1.00 0.00 C ATOM 933 O TYR A 57 -15.382 -15.998 1.417 1.00 0.00 O ATOM 934 CB TYR A 57 -13.510 -14.813 -0.688 1.00 0.00 C ATOM 935 CG TYR A 57 -12.432 -13.899 -1.214 1.00 0.00 C ATOM 936 CD1 TYR A 57 -12.771 -12.854 -2.081 1.00 0.00 C ATOM 937 CD2 TYR A 57 -11.098 -14.089 -0.835 1.00 0.00 C ATOM 938 CE1 TYR A 57 -11.777 -12.000 -2.571 1.00 0.00 C ATOM 939 CE2 TYR A 57 -10.102 -13.235 -1.325 1.00 0.00 C ATOM 940 CZ TYR A 57 -10.443 -12.189 -2.195 1.00 0.00 C ATOM 941 OH TYR A 57 -9.463 -11.349 -2.680 1.00 0.00 O ATOM 0 H TYR A 57 -12.997 -14.817 2.025 1.00 0.00 H new ATOM 0 HA TYR A 57 -14.583 -13.122 0.121 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -13.072 -15.745 -0.330 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -14.205 -15.074 -1.486 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -13.801 -12.707 -2.372 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -10.837 -14.894 -0.165 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -12.040 -11.194 -3.240 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -9.073 -13.382 -1.033 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.593 -11.619 -2.319 1.00 0.00 H new ATOM 951 N SER A 58 -16.626 -14.413 0.508 1.00 0.00 N ATOM 952 CA SER A 58 -17.912 -15.102 0.808 1.00 0.00 C ATOM 953 C SER A 58 -18.814 -15.018 -0.427 1.00 0.00 C ATOM 954 O SER A 58 -18.622 -14.190 -1.298 1.00 0.00 O ATOM 955 CB SER A 58 -18.592 -14.427 2.008 1.00 0.00 C ATOM 956 OG SER A 58 -18.376 -15.215 3.167 1.00 0.00 O ATOM 0 H SER A 58 -16.731 -13.519 0.028 1.00 0.00 H new ATOM 0 HA SER A 58 -17.728 -16.148 1.055 1.00 0.00 H new ATOM 0 HB2 SER A 58 -18.189 -13.425 2.154 1.00 0.00 H new ATOM 0 HB3 SER A 58 -19.660 -14.317 1.822 1.00 0.00 H new ATOM 0 HG SER A 58 -18.318 -14.632 3.953 1.00 0.00 H new ATOM 962 N ASP A 59 -19.795 -15.870 -0.498 1.00 0.00 N ATOM 963 CA ASP A 59 -20.725 -15.850 -1.661 1.00 0.00 C ATOM 964 C ASP A 59 -21.456 -14.505 -1.707 1.00 0.00 C ATOM 965 O ASP A 59 -21.536 -13.860 -2.734 1.00 0.00 O ATOM 966 CB ASP A 59 -21.751 -16.972 -1.501 1.00 0.00 C ATOM 967 CG ASP A 59 -22.733 -16.936 -2.672 1.00 0.00 C ATOM 968 OD1 ASP A 59 -22.287 -17.096 -3.796 1.00 0.00 O ATOM 969 OD2 ASP A 59 -23.914 -16.754 -2.425 1.00 0.00 O ATOM 0 H ASP A 59 -19.995 -16.584 0.203 1.00 0.00 H new ATOM 0 HA ASP A 59 -20.161 -15.991 -2.583 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.247 -17.938 -1.465 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -22.287 -16.857 -0.559 1.00 0.00 H new ATOM 974 N THR A 60 -21.988 -14.084 -0.591 1.00 0.00 N ATOM 975 CA THR A 60 -22.722 -12.785 -0.550 1.00 0.00 C ATOM 976 C THR A 60 -21.743 -11.630 -0.805 1.00 0.00 C ATOM 977 O THR A 60 -22.078 -10.641 -1.429 1.00 0.00 O ATOM 978 CB THR A 60 -23.367 -12.622 0.830 1.00 0.00 C ATOM 979 OG1 THR A 60 -22.379 -12.802 1.836 1.00 0.00 O ATOM 980 CG2 THR A 60 -24.472 -13.665 1.004 1.00 0.00 C ATOM 0 H THR A 60 -21.946 -14.585 0.297 1.00 0.00 H new ATOM 0 HA THR A 60 -23.493 -12.772 -1.320 1.00 0.00 H new ATOM 0 HB THR A 60 -23.796 -11.624 0.917 1.00 0.00 H new ATOM 0 HG1 THR A 60 -22.799 -13.155 2.648 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.931 -13.549 1.986 1.00 0.00 H new ATOM 0 HG22 THR A 60 -25.228 -13.526 0.231 1.00 0.00 H new ATOM 0 HG23 THR A 60 -24.046 -14.665 0.919 1.00 0.00 H new ATOM 988 N LEU A 61 -20.537 -11.756 -0.324 1.00 0.00 N ATOM 989 CA LEU A 61 -19.520 -10.679 -0.526 1.00 0.00 C ATOM 990 C LEU A 61 -19.214 -10.527 -2.013 1.00 0.00 C ATOM 991 O LEU A 61 -19.080 -9.431 -2.526 1.00 0.00 O ATOM 992 CB LEU A 61 -18.236 -11.052 0.232 1.00 0.00 C ATOM 993 CG LEU A 61 -18.336 -10.608 1.703 1.00 0.00 C ATOM 994 CD1 LEU A 61 -18.191 -9.078 1.807 1.00 0.00 C ATOM 995 CD2 LEU A 61 -19.691 -11.044 2.297 1.00 0.00 C ATOM 0 H LEU A 61 -20.208 -12.564 0.205 1.00 0.00 H new ATOM 0 HA LEU A 61 -19.909 -9.734 -0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -18.075 -12.129 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.376 -10.578 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 61 -17.531 -11.081 2.266 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -18.263 -8.776 2.852 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -17.222 -8.776 1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -18.984 -8.598 1.235 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -19.752 -10.725 3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -20.501 -10.586 1.729 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -19.779 -12.129 2.244 1.00 0.00 H new ATOM 1007 N HIS A 62 -19.101 -11.619 -2.702 1.00 0.00 N ATOM 1008 CA HIS A 62 -18.801 -11.554 -4.156 1.00 0.00 C ATOM 1009 C HIS A 62 -19.981 -10.914 -4.890 1.00 0.00 C ATOM 1010 O HIS A 62 -19.813 -10.096 -5.775 1.00 0.00 O ATOM 1011 CB HIS A 62 -18.583 -12.968 -4.687 1.00 0.00 C ATOM 1012 CG HIS A 62 -18.175 -12.897 -6.130 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -19.099 -12.778 -7.156 1.00 0.00 N ATOM 1014 CD2 HIS A 62 -16.944 -12.920 -6.736 1.00 0.00 C ATOM 1015 CE1 HIS A 62 -18.417 -12.733 -8.313 1.00 0.00 C ATOM 1016 NE2 HIS A 62 -17.097 -12.816 -8.114 1.00 0.00 N ATOM 0 H HIS A 62 -19.203 -12.560 -2.322 1.00 0.00 H new ATOM 0 HA HIS A 62 -17.903 -10.957 -4.319 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -17.813 -13.474 -4.104 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -19.497 -13.553 -4.584 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -15.999 -13.006 -6.220 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -18.879 -12.641 -9.285 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -16.361 -12.805 -8.821 1.00 0.00 H new ATOM 1024 N LYS A 63 -21.176 -11.292 -4.524 1.00 0.00 N ATOM 1025 CA LYS A 63 -22.385 -10.724 -5.190 1.00 0.00 C ATOM 1026 C LYS A 63 -22.480 -9.221 -4.911 1.00 0.00 C ATOM 1027 O LYS A 63 -22.801 -8.433 -5.782 1.00 0.00 O ATOM 1028 CB LYS A 63 -23.636 -11.419 -4.647 1.00 0.00 C ATOM 1029 CG LYS A 63 -23.640 -12.880 -5.096 1.00 0.00 C ATOM 1030 CD LYS A 63 -24.895 -13.580 -4.567 1.00 0.00 C ATOM 1031 CE LYS A 63 -24.903 -15.037 -5.035 1.00 0.00 C ATOM 1032 NZ LYS A 63 -26.125 -15.717 -4.519 1.00 0.00 N ATOM 0 H LYS A 63 -21.368 -11.973 -3.789 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.309 -10.884 -6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -23.654 -11.361 -3.559 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -24.532 -10.914 -5.008 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -23.612 -12.936 -6.184 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -22.747 -13.386 -4.728 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -24.917 -13.537 -3.478 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -25.788 -13.067 -4.924 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -24.882 -15.081 -6.124 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -24.010 -15.550 -4.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -26.131 -16.707 -4.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -26.126 -15.687 -3.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -26.971 -15.232 -4.881 1.00 0.00 H new ATOM 1046 N SER A 64 -22.203 -8.820 -3.700 1.00 0.00 N ATOM 1047 CA SER A 64 -22.279 -7.369 -3.354 1.00 0.00 C ATOM 1048 C SER A 64 -21.124 -6.625 -4.023 1.00 0.00 C ATOM 1049 O SER A 64 -21.124 -5.412 -4.106 1.00 0.00 O ATOM 1050 CB SER A 64 -22.184 -7.208 -1.835 1.00 0.00 C ATOM 1051 OG SER A 64 -23.062 -8.131 -1.206 1.00 0.00 O ATOM 0 H SER A 64 -21.927 -9.434 -2.934 1.00 0.00 H new ATOM 0 HA SER A 64 -23.225 -6.956 -3.706 1.00 0.00 H new ATOM 0 HB2 SER A 64 -21.160 -7.380 -1.504 1.00 0.00 H new ATOM 0 HB3 SER A 64 -22.445 -6.189 -1.549 1.00 0.00 H new ATOM 0 HG SER A 64 -22.649 -9.019 -1.194 1.00 0.00 H new ATOM 1057 N ASN A 65 -20.151 -7.354 -4.504 1.00 0.00 N ATOM 1058 CA ASN A 65 -18.971 -6.729 -5.180 1.00 0.00 C ATOM 1059 C ASN A 65 -18.059 -6.084 -4.137 1.00 0.00 C ATOM 1060 O ASN A 65 -17.277 -5.203 -4.444 1.00 0.00 O ATOM 1061 CB ASN A 65 -19.440 -5.665 -6.186 1.00 0.00 C ATOM 1062 CG ASN A 65 -20.691 -6.168 -6.911 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -20.732 -7.403 -7.336 1.00 0.00 O flip ATOM 1064 ND2 ASN A 65 -21.641 -5.433 -7.091 1.00 0.00 N flip ATOM 0 H ASN A 65 -20.122 -8.373 -4.457 1.00 0.00 H new ATOM 0 HA ASN A 65 -18.419 -7.503 -5.713 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.657 -4.730 -5.669 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -18.649 -5.455 -6.906 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -21.610 -4.469 -6.760 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -22.470 -5.780 -7.574 1.00 0.00 H new ATOM 1071 N ILE A 66 -18.149 -6.521 -2.906 1.00 0.00 N ATOM 1072 CA ILE A 66 -17.286 -5.946 -1.825 1.00 0.00 C ATOM 1073 C ILE A 66 -16.258 -6.982 -1.394 1.00 0.00 C ATOM 1074 O ILE A 66 -16.578 -8.119 -1.103 1.00 0.00 O ATOM 1075 CB ILE A 66 -18.160 -5.535 -0.624 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -18.807 -4.169 -0.905 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -17.308 -5.438 0.651 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -19.864 -4.296 -2.007 1.00 0.00 C ATOM 0 H ILE A 66 -18.787 -7.256 -2.600 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.769 -5.064 -2.202 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.932 -6.290 -0.478 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -19.266 -3.783 0.005 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -18.043 -3.452 -1.206 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -17.940 -5.147 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.853 -6.406 0.859 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.526 -4.692 0.510 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.313 -3.321 -2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -19.395 -4.661 -2.921 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -20.637 -4.997 -1.691 1.00 0.00 H new ATOM 1090 N TYR A 67 -15.019 -6.568 -1.345 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.920 -7.487 -0.924 1.00 0.00 C ATOM 1092 C TYR A 67 -13.139 -6.838 0.233 1.00 0.00 C ATOM 1093 O TYR A 67 -12.313 -5.971 0.018 1.00 0.00 O ATOM 1094 CB TYR A 67 -12.983 -7.736 -2.097 1.00 0.00 C ATOM 1095 CG TYR A 67 -13.801 -8.180 -3.284 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -14.292 -9.492 -3.349 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -14.071 -7.280 -4.319 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -15.052 -9.901 -4.453 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -14.830 -7.689 -5.421 1.00 0.00 C ATOM 1100 CZ TYR A 67 -15.319 -8.999 -5.488 1.00 0.00 C ATOM 1101 OH TYR A 67 -16.065 -9.399 -6.578 1.00 0.00 O ATOM 0 H TYR A 67 -14.718 -5.622 -1.581 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.341 -8.437 -0.596 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.430 -6.828 -2.338 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.248 -8.498 -1.838 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -14.085 -10.187 -2.549 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -13.694 -6.269 -4.268 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -15.431 -10.911 -4.505 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -15.039 -6.994 -6.220 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.158 -8.650 -7.204 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.416 -7.228 1.455 1.00 0.00 N ATOM 1112 CA PRO A 68 -12.748 -6.663 2.662 1.00 0.00 C ATOM 1113 C PRO A 68 -11.389 -7.305 2.955 1.00 0.00 C ATOM 1114 O PRO A 68 -11.197 -8.496 2.792 1.00 0.00 O ATOM 1115 CB PRO A 68 -13.751 -6.969 3.777 1.00 0.00 C ATOM 1116 CG PRO A 68 -14.393 -8.253 3.363 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.402 -8.255 1.831 1.00 0.00 C ATOM 0 HA PRO A 68 -12.519 -5.604 2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.254 -7.067 4.742 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.487 -6.172 3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -13.838 -9.108 3.750 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.406 -8.326 3.758 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.128 -9.232 1.434 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.391 -8.018 1.440 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.451 -6.513 3.414 1.00 0.00 N ATOM 1126 CA PHE A 69 -9.103 -7.053 3.753 1.00 0.00 C ATOM 1127 C PHE A 69 -8.495 -6.220 4.873 1.00 0.00 C ATOM 1128 O PHE A 69 -8.887 -5.082 5.113 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.176 -7.030 2.531 1.00 0.00 C ATOM 1130 CG PHE A 69 -7.839 -5.606 2.141 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -6.735 -4.960 2.718 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -8.613 -4.941 1.183 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -6.412 -3.651 2.340 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -8.286 -3.633 0.803 1.00 0.00 C ATOM 1135 CZ PHE A 69 -7.187 -2.989 1.381 1.00 0.00 C ATOM 0 H PHE A 69 -10.564 -5.511 3.568 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.215 -8.088 4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.260 -7.578 2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.656 -7.537 1.694 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.134 -5.473 3.454 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -9.463 -5.436 0.737 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.565 -3.153 2.788 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -8.883 -3.121 0.063 1.00 0.00 H new ATOM 0 HZ PHE A 69 -6.936 -1.980 1.087 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.546 -6.789 5.570 1.00 0.00 N ATOM 1146 CA ILE A 70 -6.890 -6.067 6.698 1.00 0.00 C ATOM 1147 C ILE A 70 -5.375 -6.138 6.548 1.00 0.00 C ATOM 1148 O ILE A 70 -4.829 -7.098 6.028 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.301 -6.706 8.022 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -8.812 -6.542 8.209 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -6.559 -6.017 9.175 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -9.281 -7.406 9.378 1.00 0.00 C ATOM 0 H ILE A 70 -7.195 -7.732 5.403 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.203 -5.023 6.684 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.047 -7.766 8.015 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.054 -5.496 8.397 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.335 -6.831 7.297 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.852 -6.473 10.121 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.484 -6.131 9.035 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.813 -4.957 9.189 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.357 -7.288 9.509 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.053 -8.452 9.172 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.768 -7.096 10.288 1.00 0.00 H new ATOM 1164 N LEU A 71 -4.698 -5.115 6.998 1.00 0.00 N ATOM 1165 CA LEU A 71 -3.211 -5.073 6.894 1.00 0.00 C ATOM 1166 C LEU A 71 -2.600 -5.355 8.260 1.00 0.00 C ATOM 1167 O LEU A 71 -2.939 -4.730 9.251 1.00 0.00 O ATOM 1168 CB LEU A 71 -2.778 -3.680 6.428 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.500 -3.322 5.125 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -3.002 -1.964 4.620 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -3.226 -4.401 4.068 1.00 0.00 C ATOM 0 H LEU A 71 -5.118 -4.297 7.439 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.873 -5.824 6.180 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.007 -2.942 7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.699 -3.656 6.275 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.573 -3.267 5.310 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.516 -1.710 3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.207 -1.200 5.370 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.929 -2.015 4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.741 -4.143 3.143 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.154 -4.463 3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.588 -5.364 4.429 1.00 0.00 H new ATOM 1183 N TYR A 72 -1.697 -6.299 8.310 1.00 0.00 N ATOM 1184 CA TYR A 72 -1.033 -6.664 9.595 1.00 0.00 C ATOM 1185 C TYR A 72 0.476 -6.504 9.471 1.00 0.00 C ATOM 1186 O TYR A 72 1.070 -6.798 8.447 1.00 0.00 O ATOM 1187 CB TYR A 72 -1.356 -8.115 9.948 1.00 0.00 C ATOM 1188 CG TYR A 72 -2.797 -8.220 10.387 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -3.214 -7.588 11.566 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -3.716 -8.955 9.626 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -4.547 -7.688 11.980 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -5.050 -9.052 10.042 1.00 0.00 C ATOM 1193 CZ TYR A 72 -5.465 -8.418 11.220 1.00 0.00 C ATOM 1194 OH TYR A 72 -6.778 -8.514 11.630 1.00 0.00 O ATOM 0 H TYR A 72 -1.388 -6.840 7.503 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.402 -6.003 10.379 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.180 -8.758 9.085 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.697 -8.462 10.744 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.507 -7.024 12.155 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -3.396 -9.446 8.719 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.867 -7.200 12.889 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.759 -9.616 9.454 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.282 -9.056 10.988 1.00 0.00 H new ATOM 1204 N TYR A 73 1.093 -6.036 10.520 1.00 0.00 N ATOM 1205 CA TYR A 73 2.569 -5.841 10.517 1.00 0.00 C ATOM 1206 C TYR A 73 3.131 -6.231 11.884 1.00 0.00 C ATOM 1207 O TYR A 73 2.695 -5.743 12.910 1.00 0.00 O ATOM 1208 CB TYR A 73 2.897 -4.377 10.227 1.00 0.00 C ATOM 1209 CG TYR A 73 4.396 -4.202 10.188 1.00 0.00 C ATOM 1210 CD1 TYR A 73 5.116 -4.609 9.058 1.00 0.00 C ATOM 1211 CD2 TYR A 73 5.067 -3.632 11.277 1.00 0.00 C ATOM 1212 CE1 TYR A 73 6.506 -4.448 9.017 1.00 0.00 C ATOM 1213 CE2 TYR A 73 6.457 -3.471 11.236 1.00 0.00 C ATOM 1214 CZ TYR A 73 7.177 -3.879 10.107 1.00 0.00 C ATOM 1215 OH TYR A 73 8.547 -3.719 10.068 1.00 0.00 O ATOM 0 H TYR A 73 0.630 -5.777 11.391 1.00 0.00 H new ATOM 0 HA TYR A 73 3.016 -6.466 9.744 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.459 -4.075 9.276 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.464 -3.736 10.995 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.599 -5.047 8.218 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.512 -3.317 12.148 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.061 -4.762 8.145 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.974 -3.032 12.076 1.00 0.00 H new ATOM 0 HH TYR A 73 8.852 -3.308 10.904 1.00 0.00 H new ATOM 1225 N GLN A 74 4.097 -7.111 11.890 1.00 0.00 N ATOM 1226 CA GLN A 74 4.724 -7.565 13.167 1.00 0.00 C ATOM 1227 C GLN A 74 3.683 -8.290 14.020 1.00 0.00 C ATOM 1228 O GLN A 74 3.745 -9.490 14.217 1.00 0.00 O ATOM 1229 CB GLN A 74 5.263 -6.353 13.939 1.00 0.00 C ATOM 1230 CG GLN A 74 6.249 -6.817 15.014 1.00 0.00 C ATOM 1231 CD GLN A 74 7.529 -7.344 14.359 1.00 0.00 C ATOM 1232 OE1 GLN A 74 7.897 -8.486 14.552 1.00 0.00 O ATOM 1233 NE2 GLN A 74 8.227 -6.555 13.588 1.00 0.00 N ATOM 0 H GLN A 74 4.484 -7.541 11.050 1.00 0.00 H new ATOM 0 HA GLN A 74 5.546 -8.244 12.941 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.757 -5.664 13.253 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.439 -5.808 14.400 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.487 -5.989 15.682 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.794 -7.598 15.623 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.918 -5.596 13.426 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.081 -6.897 13.148 1.00 0.00 H new ATOM 1242 N LYS A 75 2.730 -7.563 14.521 1.00 0.00 N ATOM 1243 CA LYS A 75 1.669 -8.178 15.362 1.00 0.00 C ATOM 1244 C LYS A 75 0.476 -7.220 15.418 1.00 0.00 C ATOM 1245 O LYS A 75 -0.665 -7.630 15.475 1.00 0.00 O ATOM 1246 CB LYS A 75 2.207 -8.409 16.778 1.00 0.00 C ATOM 1247 CG LYS A 75 1.138 -9.103 17.627 1.00 0.00 C ATOM 1248 CD LYS A 75 1.688 -9.359 19.033 1.00 0.00 C ATOM 1249 CE LYS A 75 0.625 -10.067 19.877 1.00 0.00 C ATOM 1250 NZ LYS A 75 1.169 -10.337 21.240 1.00 0.00 N ATOM 0 H LYS A 75 2.639 -6.557 14.383 1.00 0.00 H new ATOM 0 HA LYS A 75 1.362 -9.134 14.937 1.00 0.00 H new ATOM 0 HB2 LYS A 75 3.109 -9.020 16.740 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.485 -7.458 17.232 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.243 -8.483 17.682 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.845 -10.045 17.163 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.589 -9.970 18.977 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.971 -8.416 19.501 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.270 -9.449 19.947 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.330 -11.002 19.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.447 -10.818 21.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.011 -10.943 21.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.429 -9.438 21.694 1.00 0.00 H new ATOM 1264 N GLN A 76 0.745 -5.937 15.404 1.00 0.00 N ATOM 1265 CA GLN A 76 -0.358 -4.930 15.466 1.00 0.00 C ATOM 1266 C GLN A 76 -0.854 -4.596 14.057 1.00 0.00 C ATOM 1267 O GLN A 76 -0.118 -4.648 13.089 1.00 0.00 O ATOM 1268 CB GLN A 76 0.152 -3.655 16.143 1.00 0.00 C ATOM 1269 CG GLN A 76 -0.991 -2.644 16.259 1.00 0.00 C ATOM 1270 CD GLN A 76 -0.514 -1.412 17.032 1.00 0.00 C ATOM 1271 OE1 GLN A 76 0.384 -0.717 16.600 1.00 0.00 O ATOM 1272 NE2 GLN A 76 -1.083 -1.113 18.168 1.00 0.00 N ATOM 0 H GLN A 76 1.685 -5.544 15.352 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.184 -5.347 16.041 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.546 -3.889 17.132 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.972 -3.228 15.566 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.333 -2.352 15.266 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.841 -3.098 16.768 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.837 -1.697 18.530 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.774 -0.295 18.694 1.00 0.00 H new ATOM 1281 N LEU A 77 -2.110 -4.259 13.946 1.00 0.00 N ATOM 1282 CA LEU A 77 -2.694 -3.921 12.620 1.00 0.00 C ATOM 1283 C LEU A 77 -2.253 -2.529 12.176 1.00 0.00 C ATOM 1284 O LEU A 77 -1.975 -1.658 12.981 1.00 0.00 O ATOM 1285 CB LEU A 77 -4.220 -3.962 12.720 1.00 0.00 C ATOM 1286 CG LEU A 77 -4.734 -2.800 13.616 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -5.320 -1.682 12.744 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -5.824 -3.314 14.567 1.00 0.00 C ATOM 0 H LEU A 77 -2.763 -4.203 14.728 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.345 -4.647 11.886 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.659 -3.884 11.725 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.538 -4.918 13.135 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.896 -2.411 14.194 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.677 -0.873 13.381 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.550 -1.302 12.073 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.150 -2.075 12.157 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.179 -2.494 15.191 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.655 -3.713 13.986 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.413 -4.100 15.200 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.194 -2.319 10.888 1.00 0.00 N ATOM 1301 CA ILE A 78 -1.782 -0.991 10.347 1.00 0.00 C ATOM 1302 C ILE A 78 -3.023 -0.220 9.901 1.00 0.00 C ATOM 1303 O ILE A 78 -3.225 0.921 10.268 1.00 0.00 O ATOM 1304 CB ILE A 78 -0.867 -1.204 9.139 1.00 0.00 C ATOM 1305 CG1 ILE A 78 0.390 -1.978 9.564 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.471 0.149 8.546 1.00 0.00 C ATOM 1307 CD1 ILE A 78 1.142 -1.230 10.679 1.00 0.00 C ATOM 0 H ILE A 78 -2.416 -3.019 10.180 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.256 -0.428 11.118 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.400 -1.782 8.384 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.110 -2.972 9.912 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.046 -2.114 8.705 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.180 -0.007 7.686 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.367 0.684 8.230 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.056 0.736 9.298 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.028 -1.797 10.964 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.441 -0.246 10.319 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.490 -1.117 11.545 1.00 0.00 H new ATOM 1319 N ALA A 79 -3.855 -0.836 9.105 1.00 0.00 N ATOM 1320 CA ALA A 79 -5.082 -0.135 8.627 1.00 0.00 C ATOM 1321 C ALA A 79 -6.142 -1.152 8.221 1.00 0.00 C ATOM 1322 O ALA A 79 -5.852 -2.310 7.978 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.743 0.735 7.420 1.00 0.00 C ATOM 0 H ALA A 79 -3.739 -1.791 8.766 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.465 0.487 9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.642 1.245 7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.993 1.474 7.703 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.351 0.109 6.619 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.373 -0.720 8.152 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.489 -1.637 7.769 1.00 0.00 C ATOM 1331 C ILE A 80 -9.348 -0.983 6.691 1.00 0.00 C ATOM 1332 O ILE A 80 -9.660 0.193 6.758 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.346 -1.933 8.998 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -8.496 -2.674 10.032 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -10.535 -2.807 8.586 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -9.209 -2.683 11.382 1.00 0.00 C ATOM 0 H ILE A 80 -7.657 0.240 8.347 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.075 -2.567 7.380 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.714 -1.002 9.428 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.314 -3.696 9.700 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.523 -2.192 10.128 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.150 -3.021 9.460 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.133 -2.281 7.842 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.169 -3.742 8.162 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.598 -3.212 12.113 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.368 -1.658 11.716 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.171 -3.185 11.282 1.00 0.00 H new ATOM 1348 N GLY A 81 -9.726 -1.737 5.694 1.00 0.00 N ATOM 1349 CA GLY A 81 -10.561 -1.156 4.605 1.00 0.00 C ATOM 1350 C GLY A 81 -11.081 -2.259 3.687 1.00 0.00 C ATOM 1351 O GLY A 81 -10.813 -3.432 3.884 1.00 0.00 O ATOM 0 H GLY A 81 -9.494 -2.725 5.587 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.399 -0.606 5.034 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.973 -0.442 4.029 1.00 0.00 H new ATOM 1355 N PHE A 82 -11.828 -1.881 2.682 1.00 0.00 N ATOM 1356 CA PHE A 82 -12.386 -2.884 1.727 1.00 0.00 C ATOM 1357 C PHE A 82 -12.437 -2.285 0.321 1.00 0.00 C ATOM 1358 O PHE A 82 -12.368 -1.080 0.140 1.00 0.00 O ATOM 1359 CB PHE A 82 -13.791 -3.319 2.179 1.00 0.00 C ATOM 1360 CG PHE A 82 -14.764 -2.159 2.128 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -14.897 -1.302 3.231 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -15.551 -1.957 0.988 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -15.815 -0.244 3.188 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -16.466 -0.898 0.946 1.00 0.00 C ATOM 1365 CZ PHE A 82 -16.598 -0.042 2.045 1.00 0.00 C ATOM 0 H PHE A 82 -12.077 -0.913 2.481 1.00 0.00 H new ATOM 0 HA PHE A 82 -11.741 -3.763 1.711 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.149 -4.126 1.539 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.744 -3.714 3.194 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -14.292 -1.458 4.112 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -15.452 -2.619 0.140 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -15.919 0.416 4.037 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.070 -0.742 0.065 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.304 0.775 2.012 1.00 0.00 H new ATOM 1375 N ILE A 83 -12.538 -3.128 -0.678 1.00 0.00 N ATOM 1376 CA ILE A 83 -12.575 -2.639 -2.088 1.00 0.00 C ATOM 1377 C ILE A 83 -14.023 -2.483 -2.543 1.00 0.00 C ATOM 1378 O ILE A 83 -14.807 -3.420 -2.513 1.00 0.00 O ATOM 1379 CB ILE A 83 -11.868 -3.646 -3.003 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -10.417 -3.834 -2.551 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -11.871 -3.116 -4.437 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -9.797 -5.016 -3.298 1.00 0.00 C ATOM 0 H ILE A 83 -12.597 -4.141 -0.574 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.069 -1.675 -2.142 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.393 -4.600 -2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -9.844 -2.927 -2.745 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.380 -4.010 -1.476 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.369 -3.830 -5.090 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -12.899 -2.979 -4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -11.347 -2.161 -4.473 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.764 -5.149 -2.976 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.364 -5.921 -3.081 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.820 -4.821 -4.370 1.00 0.00 H new ATOM 1394 N ASP A 84 -14.373 -1.299 -2.968 1.00 0.00 N ATOM 1395 CA ASP A 84 -15.759 -1.039 -3.438 1.00 0.00 C ATOM 1396 C ASP A 84 -15.883 -1.440 -4.907 1.00 0.00 C ATOM 1397 O ASP A 84 -14.992 -1.212 -5.706 1.00 0.00 O ATOM 1398 CB ASP A 84 -16.076 0.453 -3.290 1.00 0.00 C ATOM 1399 CG ASP A 84 -15.983 0.857 -1.817 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -15.231 0.223 -1.094 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -16.668 1.792 -1.435 1.00 0.00 O ATOM 0 H ASP A 84 -13.749 -0.493 -3.009 1.00 0.00 H new ATOM 0 HA ASP A 84 -16.460 -1.622 -2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -15.378 1.043 -3.884 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.075 0.662 -3.672 1.00 0.00 H new ATOM 1406 N GLU A 85 -16.989 -2.033 -5.261 1.00 0.00 N ATOM 1407 CA GLU A 85 -17.205 -2.461 -6.672 1.00 0.00 C ATOM 1408 C GLU A 85 -15.966 -3.190 -7.187 1.00 0.00 C ATOM 1409 O GLU A 85 -15.844 -4.396 -7.074 1.00 0.00 O ATOM 1410 CB GLU A 85 -17.471 -1.233 -7.547 1.00 0.00 C ATOM 1411 CG GLU A 85 -18.795 -0.582 -7.136 1.00 0.00 C ATOM 1412 CD GLU A 85 -19.956 -1.524 -7.460 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -19.763 -2.412 -8.276 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -21.019 -1.343 -6.889 1.00 0.00 O ATOM 0 H GLU A 85 -17.760 -2.242 -4.627 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.063 -3.132 -6.714 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -16.655 -0.517 -7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -17.508 -1.524 -8.597 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -18.784 -0.356 -6.070 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -18.924 0.364 -7.661 1.00 0.00 H new ATOM 1421 N ASN A 86 -15.047 -2.462 -7.757 1.00 0.00 N ATOM 1422 CA ASN A 86 -13.805 -3.086 -8.291 1.00 0.00 C ATOM 1423 C ASN A 86 -12.657 -2.073 -8.181 1.00 0.00 C ATOM 1424 O ASN A 86 -11.602 -2.249 -8.758 1.00 0.00 O ATOM 1425 CB ASN A 86 -14.022 -3.477 -9.756 1.00 0.00 C ATOM 1426 CG ASN A 86 -12.849 -4.336 -10.234 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -12.326 -5.141 -9.490 1.00 0.00 O ATOM 1428 ND2 ASN A 86 -12.413 -4.197 -11.457 1.00 0.00 N ATOM 0 H ASN A 86 -15.104 -1.451 -7.877 1.00 0.00 H new ATOM 0 HA ASN A 86 -13.557 -3.981 -7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -14.957 -4.028 -9.862 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -14.107 -2.583 -10.373 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -11.633 -4.765 -11.788 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -12.853 -3.521 -12.081 1.00 0.00 H new ATOM 1435 N HIS A 87 -12.863 -1.013 -7.437 1.00 0.00 N ATOM 1436 CA HIS A 87 -11.787 0.014 -7.279 1.00 0.00 C ATOM 1437 C HIS A 87 -12.157 0.998 -6.161 1.00 0.00 C ATOM 1438 O HIS A 87 -13.223 0.930 -5.579 1.00 0.00 O ATOM 1439 CB HIS A 87 -11.597 0.786 -8.587 1.00 0.00 C ATOM 1440 CG HIS A 87 -10.448 1.746 -8.434 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -10.386 3.119 -8.465 1.00 0.00 N flip ATOM 1442 CD2 HIS A 87 -9.147 1.315 -8.218 1.00 0.00 C flip ATOM 1443 CE1 HIS A 87 -9.070 3.533 -8.273 1.00 0.00 C flip ATOM 1444 NE2 HIS A 87 -8.366 2.407 -8.129 1.00 0.00 N flip ATOM 0 H HIS A 87 -13.728 -0.815 -6.934 1.00 0.00 H new ATOM 0 HA HIS A 87 -10.858 -0.496 -7.022 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -11.401 0.094 -9.406 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -12.508 1.328 -8.839 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -8.820 0.289 -8.136 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -8.699 4.547 -8.246 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -7.359 2.378 -7.971 1.00 0.00 H new ATOM 1452 N ASP A 88 -11.261 1.907 -5.864 1.00 0.00 N ATOM 1453 CA ASP A 88 -11.508 2.913 -4.789 1.00 0.00 C ATOM 1454 C ASP A 88 -11.833 2.192 -3.482 1.00 0.00 C ATOM 1455 O ASP A 88 -12.972 1.870 -3.196 1.00 0.00 O ATOM 1456 CB ASP A 88 -12.656 3.841 -5.186 1.00 0.00 C ATOM 1457 CG ASP A 88 -12.180 4.787 -6.293 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -10.980 4.882 -6.492 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -13.024 5.401 -6.924 1.00 0.00 O ATOM 0 H ASP A 88 -10.357 1.994 -6.328 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.612 3.518 -4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.509 3.257 -5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.992 4.414 -4.322 1.00 0.00 H new ATOM 1464 N MET A 89 -10.826 1.929 -2.693 1.00 0.00 N ATOM 1465 CA MET A 89 -11.045 1.220 -1.402 1.00 0.00 C ATOM 1466 C MET A 89 -11.389 2.224 -0.301 1.00 0.00 C ATOM 1467 O MET A 89 -10.757 3.253 -0.150 1.00 0.00 O ATOM 1468 CB MET A 89 -9.777 0.437 -1.037 1.00 0.00 C ATOM 1469 CG MET A 89 -9.239 -0.280 -2.284 1.00 0.00 C ATOM 1470 SD MET A 89 -8.230 0.865 -3.260 1.00 0.00 S ATOM 1471 CE MET A 89 -7.684 -0.326 -4.512 1.00 0.00 C ATOM 0 H MET A 89 -9.856 2.177 -2.890 1.00 0.00 H new ATOM 0 HA MET A 89 -11.880 0.526 -1.503 1.00 0.00 H new ATOM 0 HB2 MET A 89 -9.021 1.114 -0.640 1.00 0.00 H new ATOM 0 HB3 MET A 89 -9.998 -0.289 -0.254 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.644 -1.144 -1.990 1.00 0.00 H new ATOM 0 HG3 MET A 89 -10.067 -0.654 -2.886 1.00 0.00 H new ATOM 0 HE1 MET A 89 -7.036 0.174 -5.232 1.00 0.00 H new ATOM 0 HE2 MET A 89 -7.134 -1.134 -4.030 1.00 0.00 H new ATOM 0 HE3 MET A 89 -8.552 -0.735 -5.028 1.00 0.00 H new ATOM 1481 N ASP A 90 -12.414 1.924 0.454 1.00 0.00 N ATOM 1482 CA ASP A 90 -12.858 2.834 1.552 1.00 0.00 C ATOM 1483 C ASP A 90 -12.107 2.507 2.842 1.00 0.00 C ATOM 1484 O ASP A 90 -11.809 1.361 3.138 1.00 0.00 O ATOM 1485 CB ASP A 90 -14.366 2.666 1.766 1.00 0.00 C ATOM 1486 CG ASP A 90 -15.135 3.397 0.659 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -14.524 4.188 -0.041 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -16.322 3.153 0.530 1.00 0.00 O ATOM 0 H ASP A 90 -12.970 1.075 0.355 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.642 3.866 1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.627 1.608 1.764 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -14.650 3.062 2.741 1.00 0.00 H new ATOM 1493 N PHE A 91 -11.785 3.522 3.601 1.00 0.00 N ATOM 1494 CA PHE A 91 -11.026 3.323 4.871 1.00 0.00 C ATOM 1495 C PHE A 91 -11.955 3.352 6.094 1.00 0.00 C ATOM 1496 O PHE A 91 -12.861 4.160 6.200 1.00 0.00 O ATOM 1497 CB PHE A 91 -9.986 4.442 4.995 1.00 0.00 C ATOM 1498 CG PHE A 91 -9.051 4.397 3.807 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -7.901 3.600 3.853 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -9.327 5.158 2.661 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.029 3.561 2.761 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -8.454 5.115 1.565 1.00 0.00 C ATOM 1503 CZ PHE A 91 -7.305 4.317 1.616 1.00 0.00 C ATOM 0 H PHE A 91 -12.019 4.493 3.392 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.544 2.346 4.842 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.483 5.411 5.043 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.421 4.327 5.920 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.687 3.014 4.734 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.212 5.777 2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.141 2.947 2.801 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.668 5.698 0.681 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.632 4.285 0.772 1.00 0.00 H new ATOM 1513 N LEU A 92 -11.693 2.472 7.028 1.00 0.00 N ATOM 1514 CA LEU A 92 -12.487 2.397 8.290 1.00 0.00 C ATOM 1515 C LEU A 92 -11.553 2.763 9.443 1.00 0.00 C ATOM 1516 O LEU A 92 -11.943 3.375 10.419 1.00 0.00 O ATOM 1517 CB LEU A 92 -12.989 0.959 8.485 1.00 0.00 C ATOM 1518 CG LEU A 92 -13.814 0.526 7.266 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -14.312 -0.912 7.464 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -15.015 1.468 7.092 1.00 0.00 C ATOM 0 H LEU A 92 -10.942 1.785 6.965 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.341 3.074 8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -12.144 0.285 8.622 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.597 0.896 9.388 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.188 0.572 6.375 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -14.898 -1.217 6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -13.458 -1.580 7.579 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -14.934 -0.962 8.358 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -15.598 1.157 6.225 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -15.641 1.428 7.984 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.659 2.488 6.943 1.00 0.00 H new ATOM 1532 N TYR A 93 -10.309 2.388 9.315 1.00 0.00 N ATOM 1533 CA TYR A 93 -9.303 2.697 10.371 1.00 0.00 C ATOM 1534 C TYR A 93 -7.956 2.911 9.694 1.00 0.00 C ATOM 1535 O TYR A 93 -7.497 2.070 8.940 1.00 0.00 O ATOM 1536 CB TYR A 93 -9.216 1.524 11.350 1.00 0.00 C ATOM 1537 CG TYR A 93 -8.307 1.884 12.502 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -8.782 2.702 13.534 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -6.994 1.397 12.544 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -7.946 3.036 14.605 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -6.157 1.732 13.617 1.00 0.00 C ATOM 1542 CZ TYR A 93 -6.634 2.552 14.647 1.00 0.00 C ATOM 1543 OH TYR A 93 -5.809 2.883 15.704 1.00 0.00 O ATOM 0 H TYR A 93 -9.943 1.874 8.514 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.590 3.592 10.923 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.210 1.275 11.723 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.837 0.639 10.839 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -9.795 3.076 13.503 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -6.627 0.764 11.750 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -8.314 3.668 15.400 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.144 1.358 13.649 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.932 2.464 15.578 1.00 0.00 H new ATOM 1553 N LEU A 94 -7.331 4.038 9.932 1.00 0.00 N ATOM 1554 CA LEU A 94 -6.015 4.317 9.280 1.00 0.00 C ATOM 1555 C LEU A 94 -4.964 4.625 10.341 1.00 0.00 C ATOM 1556 O LEU A 94 -5.024 5.626 11.034 1.00 0.00 O ATOM 1557 CB LEU A 94 -6.161 5.516 8.325 1.00 0.00 C ATOM 1558 CG LEU A 94 -5.112 5.421 7.201 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -3.709 5.300 7.812 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -5.405 4.184 6.314 1.00 0.00 C ATOM 0 H LEU A 94 -7.675 4.775 10.548 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.699 3.440 8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.164 5.532 7.898 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.034 6.448 8.875 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.161 6.321 6.588 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.969 5.233 7.014 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.503 6.177 8.426 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -3.658 4.404 8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.661 4.121 5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.363 3.281 6.923 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.398 4.279 5.874 1.00 0.00 H new ATOM 1572 N HIS A 95 -3.991 3.769 10.444 1.00 0.00 N ATOM 1573 CA HIS A 95 -2.890 3.969 11.424 1.00 0.00 C ATOM 1574 C HIS A 95 -1.574 3.542 10.776 1.00 0.00 C ATOM 1575 O HIS A 95 -1.284 2.367 10.648 1.00 0.00 O ATOM 1576 CB HIS A 95 -3.157 3.122 12.667 1.00 0.00 C ATOM 1577 CG HIS A 95 -1.988 3.237 13.603 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -1.011 2.260 13.689 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -1.623 4.214 14.494 1.00 0.00 C ATOM 1580 CE1 HIS A 95 -0.112 2.666 14.605 1.00 0.00 C ATOM 1581 NE2 HIS A 95 -0.437 3.852 15.127 1.00 0.00 N ATOM 0 H HIS A 95 -3.910 2.923 9.880 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.832 5.018 11.716 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.069 3.458 13.162 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.312 2.080 12.386 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -0.978 1.391 13.156 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.172 5.126 14.677 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.765 2.101 14.884 1.00 0.00 H new ATOM 1589 N ASN A 96 -0.776 4.492 10.367 1.00 0.00 N ATOM 1590 CA ASN A 96 0.530 4.157 9.727 1.00 0.00 C ATOM 1591 C ASN A 96 1.632 4.237 10.775 1.00 0.00 C ATOM 1592 O ASN A 96 2.138 5.303 11.075 1.00 0.00 O ATOM 1593 CB ASN A 96 0.823 5.152 8.605 1.00 0.00 C ATOM 1594 CG ASN A 96 -0.080 4.851 7.409 1.00 0.00 C ATOM 1595 OD1 ASN A 96 -0.663 3.789 7.323 1.00 0.00 O ATOM 1596 ND2 ASN A 96 -0.215 5.746 6.469 1.00 0.00 N ATOM 0 H ASN A 96 -0.973 5.489 10.449 1.00 0.00 H new ATOM 0 HA ASN A 96 0.486 3.150 9.312 1.00 0.00 H new ATOM 0 HB2 ASN A 96 0.654 6.171 8.954 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.870 5.086 8.310 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.810 5.553 5.663 1.00 0.00 H new ATOM 0 HD22 ASN A 96 0.274 6.638 6.540 1.00 0.00 H new ATOM 1603 N THR A 97 2.007 3.103 11.316 1.00 0.00 N ATOM 1604 CA THR A 97 3.087 3.038 12.353 1.00 0.00 C ATOM 1605 C THR A 97 3.117 4.322 13.193 1.00 0.00 C ATOM 1606 O THR A 97 3.815 5.273 12.885 1.00 0.00 O ATOM 1607 CB THR A 97 4.436 2.826 11.663 1.00 0.00 C ATOM 1608 OG1 THR A 97 4.740 3.962 10.867 1.00 0.00 O ATOM 1609 CG2 THR A 97 4.368 1.579 10.774 1.00 0.00 C ATOM 0 H THR A 97 1.600 2.199 11.077 1.00 0.00 H new ATOM 0 HA THR A 97 2.884 2.203 13.024 1.00 0.00 H new ATOM 0 HB THR A 97 5.213 2.690 12.415 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.711 4.768 11.423 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.330 1.429 10.283 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.134 0.708 11.386 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.592 1.712 10.020 1.00 0.00 H new ATOM 1617 N VAL A 98 2.357 4.345 14.251 1.00 0.00 N ATOM 1618 CA VAL A 98 2.312 5.547 15.133 1.00 0.00 C ATOM 1619 C VAL A 98 1.942 6.791 14.317 1.00 0.00 C ATOM 1620 O VAL A 98 2.681 7.756 14.264 1.00 0.00 O ATOM 1621 CB VAL A 98 3.676 5.745 15.804 1.00 0.00 C ATOM 1622 CG1 VAL A 98 3.561 6.792 16.921 1.00 0.00 C ATOM 1623 CG2 VAL A 98 4.139 4.414 16.402 1.00 0.00 C ATOM 0 H VAL A 98 1.758 3.574 14.547 1.00 0.00 H new ATOM 0 HA VAL A 98 1.553 5.396 15.900 1.00 0.00 H new ATOM 0 HB VAL A 98 4.397 6.090 15.063 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.534 6.928 17.394 1.00 0.00 H new ATOM 0 HG12 VAL A 98 3.227 7.740 16.498 1.00 0.00 H new ATOM 0 HG13 VAL A 98 2.840 6.453 17.665 1.00 0.00 H new ATOM 0 HG21 VAL A 98 5.109 4.548 16.881 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.413 4.075 17.141 1.00 0.00 H new ATOM 0 HG23 VAL A 98 4.225 3.670 15.610 1.00 0.00 H new ATOM 1633 N MET A 99 0.792 6.776 13.691 1.00 0.00 N ATOM 1634 CA MET A 99 0.360 7.960 12.889 1.00 0.00 C ATOM 1635 C MET A 99 -1.097 7.784 12.410 1.00 0.00 C ATOM 1636 O MET A 99 -1.339 7.401 11.281 1.00 0.00 O ATOM 1637 CB MET A 99 1.281 8.121 11.669 1.00 0.00 C ATOM 1638 CG MET A 99 1.132 9.534 11.090 1.00 0.00 C ATOM 1639 SD MET A 99 1.782 10.754 12.262 1.00 0.00 S ATOM 1640 CE MET A 99 3.502 10.716 11.708 1.00 0.00 C ATOM 0 H MET A 99 0.135 5.996 13.701 1.00 0.00 H new ATOM 0 HA MET A 99 0.421 8.848 13.517 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.317 7.943 11.958 1.00 0.00 H new ATOM 0 HB3 MET A 99 1.030 7.379 10.911 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.667 9.606 10.143 1.00 0.00 H new ATOM 0 HG3 MET A 99 0.083 9.742 10.880 1.00 0.00 H new ATOM 0 HE1 MET A 99 4.093 11.409 12.307 1.00 0.00 H new ATOM 0 HE2 MET A 99 3.899 9.707 11.823 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.553 11.009 10.659 1.00 0.00 H new ATOM 1650 N PRO A 100 -2.059 8.070 13.261 1.00 0.00 N ATOM 1651 CA PRO A 100 -3.507 7.943 12.915 1.00 0.00 C ATOM 1652 C PRO A 100 -3.990 9.113 12.048 1.00 0.00 C ATOM 1653 O PRO A 100 -4.091 10.239 12.497 1.00 0.00 O ATOM 1654 CB PRO A 100 -4.203 7.938 14.283 1.00 0.00 C ATOM 1655 CG PRO A 100 -3.294 8.712 15.189 1.00 0.00 C ATOM 1656 CD PRO A 100 -1.869 8.539 14.646 1.00 0.00 C ATOM 0 HA PRO A 100 -3.719 7.051 12.326 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -5.188 8.400 14.225 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -4.349 6.921 14.647 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.574 9.765 15.209 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.364 8.344 16.213 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.316 9.478 14.675 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.304 7.817 15.236 1.00 0.00 H new ATOM 1664 N LEU A 101 -4.277 8.845 10.801 1.00 0.00 N ATOM 1665 CA LEU A 101 -4.741 9.928 9.884 1.00 0.00 C ATOM 1666 C LEU A 101 -6.269 10.051 9.959 1.00 0.00 C ATOM 1667 O LEU A 101 -6.851 10.982 9.433 1.00 0.00 O ATOM 1668 CB LEU A 101 -4.329 9.574 8.448 1.00 0.00 C ATOM 1669 CG LEU A 101 -2.867 9.107 8.423 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -2.428 8.862 6.974 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -1.967 10.175 9.050 1.00 0.00 C ATOM 0 H LEU A 101 -4.210 7.920 10.377 1.00 0.00 H new ATOM 0 HA LEU A 101 -4.290 10.876 10.179 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.977 8.789 8.058 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.454 10.442 7.800 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.781 8.182 8.993 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.390 8.531 6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.060 8.095 6.527 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.522 9.786 6.404 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.931 9.836 9.029 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.057 11.103 8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.271 10.347 10.082 1.00 0.00 H new ATOM 1683 N LEU A 102 -6.926 9.123 10.613 1.00 0.00 N ATOM 1684 CA LEU A 102 -8.421 9.188 10.729 1.00 0.00 C ATOM 1685 C LEU A 102 -8.848 8.696 12.112 1.00 0.00 C ATOM 1686 O LEU A 102 -9.271 9.463 12.957 1.00 0.00 O ATOM 1687 CB LEU A 102 -9.069 8.294 9.663 1.00 0.00 C ATOM 1688 CG LEU A 102 -8.854 8.897 8.266 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -9.345 7.905 7.205 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -9.627 10.226 8.131 1.00 0.00 C ATOM 0 H LEU A 102 -6.493 8.322 11.072 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.742 10.220 10.584 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.639 7.293 9.706 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -10.136 8.191 9.863 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.792 9.094 8.123 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -9.194 8.329 6.212 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.785 6.974 7.291 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -10.406 7.705 7.357 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.465 10.642 7.136 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -10.691 10.045 8.280 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -9.271 10.932 8.881 1.00 0.00 H new ATOM 1702 N ASP A 103 -8.738 7.415 12.337 1.00 0.00 N ATOM 1703 CA ASP A 103 -9.135 6.836 13.655 1.00 0.00 C ATOM 1704 C ASP A 103 -10.585 7.221 13.961 1.00 0.00 C ATOM 1705 O ASP A 103 -10.962 7.432 15.101 1.00 0.00 O ATOM 1706 CB ASP A 103 -8.204 7.364 14.749 1.00 0.00 C ATOM 1707 CG ASP A 103 -8.421 6.565 16.037 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -9.343 5.768 16.068 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -7.656 6.759 16.967 1.00 0.00 O ATOM 0 H ASP A 103 -8.387 6.738 11.659 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.055 5.750 13.620 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.166 7.281 14.428 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.399 8.421 14.928 1.00 0.00 H new ATOM 1714 N GLN A 104 -11.401 7.311 12.943 1.00 0.00 N ATOM 1715 CA GLN A 104 -12.830 7.681 13.154 1.00 0.00 C ATOM 1716 C GLN A 104 -13.563 6.542 13.862 1.00 0.00 C ATOM 1717 O GLN A 104 -13.729 5.456 13.335 1.00 0.00 O ATOM 1718 CB GLN A 104 -13.481 7.957 11.799 1.00 0.00 C ATOM 1719 CG GLN A 104 -12.902 9.247 11.218 1.00 0.00 C ATOM 1720 CD GLN A 104 -13.480 9.493 9.823 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -14.320 8.748 9.358 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -13.064 10.520 9.132 1.00 0.00 N ATOM 0 H GLN A 104 -11.137 7.143 11.972 1.00 0.00 H new ATOM 0 HA GLN A 104 -12.888 8.575 13.775 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.301 7.124 11.119 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.561 8.048 11.913 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -13.135 10.088 11.872 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -11.816 9.177 11.164 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -12.359 11.145 9.522 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -13.444 10.697 8.202 1.00 0.00 H new ATOM 1731 N ARG A 105 -14.000 6.798 15.058 1.00 0.00 N ATOM 1732 CA ARG A 105 -14.728 5.763 15.843 1.00 0.00 C ATOM 1733 C ARG A 105 -16.156 5.610 15.318 1.00 0.00 C ATOM 1734 O ARG A 105 -16.675 4.515 15.205 1.00 0.00 O ATOM 1735 CB ARG A 105 -14.761 6.202 17.306 1.00 0.00 C ATOM 1736 CG ARG A 105 -13.329 6.366 17.839 1.00 0.00 C ATOM 1737 CD ARG A 105 -12.722 4.994 18.167 1.00 0.00 C ATOM 1738 NE ARG A 105 -13.606 4.288 19.135 1.00 0.00 N ATOM 1739 CZ ARG A 105 -13.368 3.048 19.475 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -12.350 2.407 18.967 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -14.157 2.447 20.320 1.00 0.00 N ATOM 0 H ARG A 105 -13.883 7.692 15.534 1.00 0.00 H new ATOM 0 HA ARG A 105 -14.220 4.803 15.748 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -15.302 7.143 17.399 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -15.298 5.465 17.903 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.714 6.876 17.097 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.335 6.991 18.732 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -12.614 4.404 17.257 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -11.724 5.116 18.589 1.00 0.00 H new ATOM 0 HE ARG A 105 -14.406 4.777 19.537 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.735 2.873 18.301 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.170 1.440 19.237 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -14.956 2.944 20.713 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -13.975 1.480 20.588 1.00 0.00 H new ATOM 1755 N TYR A 106 -16.796 6.702 15.004 1.00 0.00 N ATOM 1756 CA TYR A 106 -18.196 6.630 14.495 1.00 0.00 C ATOM 1757 C TYR A 106 -18.224 5.838 13.189 1.00 0.00 C ATOM 1758 O TYR A 106 -19.079 4.998 12.971 1.00 0.00 O ATOM 1759 CB TYR A 106 -18.723 8.045 14.246 1.00 0.00 C ATOM 1760 CG TYR A 106 -17.966 8.689 13.106 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -18.383 8.482 11.785 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -16.853 9.497 13.369 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -17.687 9.082 10.728 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -16.159 10.098 12.311 1.00 0.00 C ATOM 1765 CZ TYR A 106 -16.576 9.889 10.991 1.00 0.00 C ATOM 1766 OH TYR A 106 -15.894 10.484 9.949 1.00 0.00 O ATOM 0 H TYR A 106 -16.410 7.643 15.078 1.00 0.00 H new ATOM 0 HA TYR A 106 -18.825 6.134 15.234 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -19.787 8.009 14.012 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -18.616 8.646 15.149 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -19.242 7.859 11.581 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -16.530 9.657 14.387 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -18.009 8.921 9.710 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -15.302 10.723 12.514 1.00 0.00 H new ATOM 0 HH TYR A 106 -15.655 9.805 9.284 1.00 0.00 H new ATOM 1776 N LEU A 107 -17.293 6.103 12.321 1.00 0.00 N ATOM 1777 CA LEU A 107 -17.248 5.375 11.025 1.00 0.00 C ATOM 1778 C LEU A 107 -16.979 3.893 11.286 1.00 0.00 C ATOM 1779 O LEU A 107 -17.514 3.021 10.624 1.00 0.00 O ATOM 1780 CB LEU A 107 -16.123 5.951 10.156 1.00 0.00 C ATOM 1781 CG LEU A 107 -16.046 5.200 8.817 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -17.387 5.313 8.073 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -14.926 5.804 7.963 1.00 0.00 C ATOM 0 H LEU A 107 -16.557 6.796 12.453 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.202 5.488 10.509 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -16.300 7.011 9.976 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -15.171 5.871 10.681 1.00 0.00 H new ATOM 0 HG LEU A 107 -15.835 4.147 9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.324 4.778 7.125 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -18.179 4.878 8.683 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.610 6.363 7.883 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -14.868 5.274 7.012 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -15.136 6.858 7.779 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -13.976 5.710 8.489 1.00 0.00 H new ATOM 1795 N LEU A 108 -16.126 3.607 12.231 1.00 0.00 N ATOM 1796 CA LEU A 108 -15.778 2.188 12.527 1.00 0.00 C ATOM 1797 C LEU A 108 -17.033 1.416 12.960 1.00 0.00 C ATOM 1798 O LEU A 108 -17.286 0.316 12.503 1.00 0.00 O ATOM 1799 CB LEU A 108 -14.742 2.163 13.666 1.00 0.00 C ATOM 1800 CG LEU A 108 -13.866 0.912 13.546 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -12.823 0.904 14.665 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -14.734 -0.351 13.632 1.00 0.00 C ATOM 0 H LEU A 108 -15.653 4.298 12.813 1.00 0.00 H new ATOM 0 HA LEU A 108 -15.368 1.718 11.633 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.121 3.058 13.624 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.249 2.171 14.631 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.359 0.925 12.581 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.202 0.013 14.577 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.197 1.793 14.585 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.327 0.901 15.632 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -14.101 -1.234 13.546 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -15.255 -0.370 14.589 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -15.464 -0.347 12.822 1.00 0.00 H new