USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=29 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 76 GLN :FLIP amide:sc= -0.661 F(o=-4.9,f=-3.8) USER MOD Set 1.2: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 1.3: A 95 HIS : no HD1:sc= -3.16! C(o=-3.8!,f=-10!) USER MOD Set 2.1: A 73 TYR OH : rot 165:sc=-0.00393 USER MOD Set 2.2: A 74 GLN : amide:sc=-0.00724 X(o=-0.011,f=-0.15!) USER MOD Set 3.1: A 65 ASN : amide:sc= -1.44 K(o=-1.4,f=-2.1!) USER MOD Set 3.2: A 67 TYR OH : rot 30:sc= 0 USER MOD Set 4.1: A 8 LYS NZ :NH3+ -149:sc= 1.5 (180deg=0.512) USER MOD Set 4.2: A 54 ASN :FLIP amide:sc= -0.111! F(o=0.59,f=2.2!) USER MOD Set 4.3: A 56 TYR OH : rot -78:sc= 0.833 USER MOD Single : A 2 THR OG1 : rot -36:sc= -0.903 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 9 HIS : no HE2:sc= -3.4! C(o=-3.4!,f=-5.3!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -100:sc= 0.407 USER MOD Single : A 13 ASN :FLIP amide:sc= -0.075 F(o=-1.3!,f=-0.075) USER MOD Single : A 16 ASN : amide:sc= -0.271 K(o=-0.27,f=-2!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot 37:sc= 0.226 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot -91:sc= 0.403 USER MOD Single : A 48 ASN : amide:sc= -0.768 K(o=-0.77,f=-5.7!) USER MOD Single : A 49 LYS NZ :NH3+ 177:sc= -1.51! (180deg=-1.59!) USER MOD Single : A 52 GLN : amide:sc= -0.501 K(o=-0.5,f=-1.8) USER MOD Single : A 53 THR OG1 : rot -34:sc= 0.856 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.649 USER MOD Single : A 58 SER OG : rot 142:sc= 0.365 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HE2:sc= -0.125! C(o=-0.13!,f=-6.2!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 83:sc= 0.0304 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 ASN : amide:sc= -0.0487 K(o=-0.049,f=-1.4!) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -1.07! C(o=-3.2!,f=-1.1!) USER MOD Single : A 89 MET CE :methyl 174:sc= -1 (180deg=-1.22) USER MOD Single : A 96 ASN : amide:sc= -2.4 K(o=-2.4,f=-5.2!) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 180:sc= -0.01 (180deg=-0.01) USER MOD Single : A 104 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.18) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -11.883 -5.795 19.557 1.00 0.00 N ATOM 21 CA THR A 2 -10.911 -6.057 18.454 1.00 0.00 C ATOM 22 C THR A 2 -11.430 -5.449 17.150 1.00 0.00 C ATOM 23 O THR A 2 -12.593 -5.564 16.815 1.00 0.00 O ATOM 24 CB THR A 2 -10.746 -7.569 18.285 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.027 -8.171 18.159 1.00 0.00 O ATOM 26 CG2 THR A 2 -10.025 -8.144 19.505 1.00 0.00 C ATOM 0 HA THR A 2 -9.950 -5.605 18.698 1.00 0.00 H new ATOM 0 HB THR A 2 -10.159 -7.775 17.390 1.00 0.00 H new ATOM 0 HG1 THR A 2 -12.668 -7.699 18.731 1.00 0.00 H new ATOM 0 HG21 THR A 2 -9.908 -9.221 19.384 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.043 -7.680 19.599 1.00 0.00 H new ATOM 0 HG23 THR A 2 -10.610 -7.941 20.402 1.00 0.00 H new ATOM 34 N LEU A 3 -10.568 -4.800 16.417 1.00 0.00 N ATOM 35 CA LEU A 3 -10.984 -4.175 15.129 1.00 0.00 C ATOM 36 C LEU A 3 -11.452 -5.263 14.161 1.00 0.00 C ATOM 37 O LEU A 3 -12.421 -5.095 13.445 1.00 0.00 O ATOM 38 CB LEU A 3 -9.788 -3.422 14.530 1.00 0.00 C ATOM 39 CG LEU A 3 -9.676 -2.035 15.172 1.00 0.00 C ATOM 40 CD1 LEU A 3 -9.568 -2.185 16.691 1.00 0.00 C ATOM 41 CD2 LEU A 3 -8.429 -1.319 14.639 1.00 0.00 C ATOM 0 H LEU A 3 -9.585 -4.675 16.657 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.804 -3.478 15.302 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.870 -3.986 14.697 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.910 -3.325 13.451 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.561 -1.449 14.925 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -9.488 -1.199 17.149 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -10.456 -2.691 17.071 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.683 -2.772 16.937 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -8.352 -0.333 15.097 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -7.542 -1.903 14.883 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.506 -1.211 13.557 1.00 0.00 H new ATOM 53 N GLU A 4 -10.767 -6.370 14.129 1.00 0.00 N ATOM 54 CA GLU A 4 -11.160 -7.467 13.204 1.00 0.00 C ATOM 55 C GLU A 4 -12.601 -7.886 13.502 1.00 0.00 C ATOM 56 O GLU A 4 -13.410 -8.042 12.607 1.00 0.00 O ATOM 57 CB GLU A 4 -10.223 -8.657 13.423 1.00 0.00 C ATOM 58 CG GLU A 4 -10.564 -9.776 12.441 1.00 0.00 C ATOM 59 CD GLU A 4 -9.584 -10.933 12.642 1.00 0.00 C ATOM 60 OE1 GLU A 4 -8.564 -10.713 13.276 1.00 0.00 O ATOM 61 OE2 GLU A 4 -9.868 -12.015 12.159 1.00 0.00 O ATOM 0 H GLU A 4 -9.948 -6.563 14.706 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.090 -7.129 12.170 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -9.187 -8.345 13.287 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -10.315 -9.020 14.447 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -11.587 -10.117 12.600 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -10.507 -9.408 11.417 1.00 0.00 H new ATOM 68 N LEU A 5 -12.923 -8.073 14.752 1.00 0.00 N ATOM 69 CA LEU A 5 -14.305 -8.486 15.118 1.00 0.00 C ATOM 70 C LEU A 5 -15.293 -7.382 14.733 1.00 0.00 C ATOM 71 O LEU A 5 -16.349 -7.639 14.185 1.00 0.00 O ATOM 72 CB LEU A 5 -14.363 -8.723 16.631 1.00 0.00 C ATOM 73 CG LEU A 5 -15.751 -9.229 17.042 1.00 0.00 C ATOM 74 CD1 LEU A 5 -16.028 -10.602 16.402 1.00 0.00 C ATOM 75 CD2 LEU A 5 -15.797 -9.349 18.569 1.00 0.00 C ATOM 0 H LEU A 5 -12.284 -7.957 15.539 1.00 0.00 H new ATOM 0 HA LEU A 5 -14.571 -9.400 14.587 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -13.604 -9.450 16.921 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -14.136 -7.797 17.159 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.512 -8.528 16.699 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -17.016 -10.950 16.702 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -15.989 -10.512 15.316 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -15.275 -11.317 16.734 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -16.779 -9.708 18.876 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -15.033 -10.052 18.902 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -15.611 -8.373 19.016 1.00 0.00 H new ATOM 87 N GLN A 6 -14.959 -6.155 15.024 1.00 0.00 N ATOM 88 CA GLN A 6 -15.872 -5.025 14.690 1.00 0.00 C ATOM 89 C GLN A 6 -15.985 -4.880 13.173 1.00 0.00 C ATOM 90 O GLN A 6 -17.024 -4.521 12.650 1.00 0.00 O ATOM 91 CB GLN A 6 -15.320 -3.732 15.291 1.00 0.00 C ATOM 92 CG GLN A 6 -15.381 -3.811 16.816 1.00 0.00 C ATOM 93 CD GLN A 6 -14.814 -2.524 17.417 1.00 0.00 C ATOM 94 OE1 GLN A 6 -15.188 -1.439 17.021 1.00 0.00 O ATOM 95 NE2 GLN A 6 -13.920 -2.599 18.365 1.00 0.00 N ATOM 0 H GLN A 6 -14.088 -5.885 15.481 1.00 0.00 H new ATOM 0 HA GLN A 6 -16.861 -5.226 15.103 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.291 -3.577 14.965 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -15.898 -2.878 14.937 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.411 -3.954 17.142 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -14.812 -4.671 17.169 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -13.605 -3.510 18.698 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -13.536 -1.746 18.773 1.00 0.00 H new ATOM 104 N LEU A 7 -14.922 -5.142 12.463 1.00 0.00 N ATOM 105 CA LEU A 7 -14.961 -5.006 10.981 1.00 0.00 C ATOM 106 C LEU A 7 -15.993 -5.977 10.409 1.00 0.00 C ATOM 107 O LEU A 7 -16.759 -5.637 9.528 1.00 0.00 O ATOM 108 CB LEU A 7 -13.575 -5.329 10.412 1.00 0.00 C ATOM 109 CG LEU A 7 -13.585 -5.231 8.880 1.00 0.00 C ATOM 110 CD1 LEU A 7 -14.023 -3.822 8.438 1.00 0.00 C ATOM 111 CD2 LEU A 7 -12.176 -5.521 8.356 1.00 0.00 C ATOM 0 H LEU A 7 -14.027 -5.445 12.847 1.00 0.00 H new ATOM 0 HA LEU A 7 -15.238 -3.987 10.709 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.838 -4.638 10.821 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.276 -6.332 10.716 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.290 -5.957 8.475 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -14.026 -3.767 7.349 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -15.025 -3.618 8.814 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.328 -3.083 8.837 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.171 -5.454 7.268 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.478 -4.792 8.767 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.874 -6.524 8.659 1.00 0.00 H new ATOM 123 N LYS A 8 -16.015 -7.185 10.898 1.00 0.00 N ATOM 124 CA LYS A 8 -16.992 -8.182 10.381 1.00 0.00 C ATOM 125 C LYS A 8 -18.408 -7.689 10.682 1.00 0.00 C ATOM 126 O LYS A 8 -19.294 -7.770 9.854 1.00 0.00 O ATOM 127 CB LYS A 8 -16.758 -9.524 11.084 1.00 0.00 C ATOM 128 CG LYS A 8 -15.338 -10.037 10.795 1.00 0.00 C ATOM 129 CD LYS A 8 -15.266 -10.659 9.395 1.00 0.00 C ATOM 130 CE LYS A 8 -13.894 -11.308 9.201 1.00 0.00 C ATOM 131 NZ LYS A 8 -12.843 -10.251 9.155 1.00 0.00 N ATOM 0 H LYS A 8 -15.397 -7.525 11.635 1.00 0.00 H new ATOM 0 HA LYS A 8 -16.867 -8.307 9.306 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.899 -9.409 12.159 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.492 -10.254 10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -14.626 -9.216 10.871 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -15.053 -10.777 11.543 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -16.053 -11.403 9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -15.430 -9.894 8.636 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -13.690 -12.002 10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.882 -11.888 8.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -12.065 -10.562 8.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -13.251 -9.372 8.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -12.479 -10.081 10.114 1.00 0.00 H new ATOM 145 N HIS A 9 -18.621 -7.181 11.864 1.00 0.00 N ATOM 146 CA HIS A 9 -19.974 -6.682 12.235 1.00 0.00 C ATOM 147 C HIS A 9 -20.321 -5.440 11.405 1.00 0.00 C ATOM 148 O HIS A 9 -21.441 -5.274 10.960 1.00 0.00 O ATOM 149 CB HIS A 9 -19.985 -6.322 13.725 1.00 0.00 C ATOM 150 CG HIS A 9 -20.033 -7.581 14.549 1.00 0.00 C ATOM 151 ND1 HIS A 9 -18.887 -8.204 15.021 1.00 0.00 N ATOM 152 CD2 HIS A 9 -21.084 -8.346 14.993 1.00 0.00 C ATOM 153 CE1 HIS A 9 -19.273 -9.293 15.713 1.00 0.00 C ATOM 154 NE2 HIS A 9 -20.602 -9.426 15.727 1.00 0.00 N ATOM 0 H HIS A 9 -17.912 -7.090 12.592 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.713 -7.458 12.036 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.095 -5.745 13.976 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -20.847 -5.694 13.951 1.00 0.00 H new ATOM 0 HD1 HIS A 9 -17.927 -7.894 14.871 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -22.127 -8.141 14.801 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -18.591 -9.976 16.198 1.00 0.00 H new ATOM 162 N TYR A 10 -19.375 -4.559 11.215 1.00 0.00 N ATOM 163 CA TYR A 10 -19.652 -3.315 10.440 1.00 0.00 C ATOM 164 C TYR A 10 -20.051 -3.657 9.000 1.00 0.00 C ATOM 165 O TYR A 10 -21.035 -3.159 8.486 1.00 0.00 O ATOM 166 CB TYR A 10 -18.393 -2.444 10.423 1.00 0.00 C ATOM 167 CG TYR A 10 -18.632 -1.223 9.569 1.00 0.00 C ATOM 168 CD1 TYR A 10 -19.279 -0.109 10.115 1.00 0.00 C ATOM 169 CD2 TYR A 10 -18.206 -1.203 8.236 1.00 0.00 C ATOM 170 CE1 TYR A 10 -19.502 1.026 9.328 1.00 0.00 C ATOM 171 CE2 TYR A 10 -18.429 -0.069 7.449 1.00 0.00 C ATOM 172 CZ TYR A 10 -19.077 1.047 7.995 1.00 0.00 C ATOM 173 OH TYR A 10 -19.296 2.166 7.218 1.00 0.00 O ATOM 0 H TYR A 10 -18.421 -4.648 11.564 1.00 0.00 H new ATOM 0 HA TYR A 10 -20.474 -2.778 10.914 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -18.132 -2.145 11.438 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -17.550 -3.014 10.032 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -19.606 -0.125 11.144 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -17.705 -2.063 7.816 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -20.002 1.886 9.749 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -18.102 -0.053 6.420 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.938 2.015 6.318 1.00 0.00 H new ATOM 183 N ILE A 11 -19.289 -4.485 8.341 1.00 0.00 N ATOM 184 CA ILE A 11 -19.616 -4.841 6.930 1.00 0.00 C ATOM 185 C ILE A 11 -20.943 -5.600 6.880 1.00 0.00 C ATOM 186 O ILE A 11 -21.776 -5.356 6.028 1.00 0.00 O ATOM 187 CB ILE A 11 -18.497 -5.720 6.358 1.00 0.00 C ATOM 188 CG1 ILE A 11 -17.217 -4.889 6.235 1.00 0.00 C ATOM 189 CG2 ILE A 11 -18.902 -6.241 4.974 1.00 0.00 C ATOM 190 CD1 ILE A 11 -16.040 -5.809 5.910 1.00 0.00 C ATOM 0 H ILE A 11 -18.453 -4.931 8.718 1.00 0.00 H new ATOM 0 HA ILE A 11 -19.705 -3.930 6.338 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.325 -6.566 7.023 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -17.332 -4.138 5.453 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -17.028 -4.354 7.165 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -18.104 -6.865 4.572 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -19.815 -6.831 5.060 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -19.076 -5.398 4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.129 -5.217 5.822 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -15.921 -6.543 6.707 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -16.230 -6.324 4.968 1.00 0.00 H new ATOM 202 N THR A 12 -21.131 -6.529 7.772 1.00 0.00 N ATOM 203 CA THR A 12 -22.391 -7.323 7.772 1.00 0.00 C ATOM 204 C THR A 12 -23.591 -6.426 8.078 1.00 0.00 C ATOM 205 O THR A 12 -24.603 -6.489 7.412 1.00 0.00 O ATOM 206 CB THR A 12 -22.283 -8.419 8.833 1.00 0.00 C ATOM 207 OG1 THR A 12 -21.885 -7.838 10.065 1.00 0.00 O ATOM 208 CG2 THR A 12 -21.244 -9.456 8.398 1.00 0.00 C ATOM 0 H THR A 12 -20.465 -6.774 8.504 1.00 0.00 H new ATOM 0 HA THR A 12 -22.536 -7.767 6.787 1.00 0.00 H new ATOM 0 HB THR A 12 -23.250 -8.908 8.952 1.00 0.00 H new ATOM 0 HG1 THR A 12 -20.925 -7.981 10.199 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.169 -10.236 9.156 1.00 0.00 H new ATOM 0 HG22 THR A 12 -21.548 -9.899 7.450 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.275 -8.972 8.278 1.00 0.00 H new ATOM 216 N ASN A 13 -23.496 -5.604 9.087 1.00 0.00 N ATOM 217 CA ASN A 13 -24.641 -4.719 9.435 1.00 0.00 C ATOM 218 C ASN A 13 -24.880 -3.705 8.314 1.00 0.00 C ATOM 219 O ASN A 13 -26.006 -3.409 7.960 1.00 0.00 O ATOM 220 CB ASN A 13 -24.328 -3.972 10.733 1.00 0.00 C ATOM 221 CG ASN A 13 -24.315 -4.953 11.910 1.00 0.00 C ATOM 222 OD1 ASN A 13 -25.078 -6.013 11.878 1.00 0.00 O flip ATOM 223 ND2 ASN A 13 -23.603 -4.750 12.874 1.00 0.00 N flip ATOM 0 H ASN A 13 -22.675 -5.508 9.685 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.536 -5.328 9.564 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -23.361 -3.475 10.652 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -25.073 -3.195 10.904 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -23.006 -3.923 12.902 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -23.602 -5.406 13.655 1.00 0.00 H new ATOM 230 N LEU A 14 -23.829 -3.155 7.765 1.00 0.00 N ATOM 231 CA LEU A 14 -23.993 -2.144 6.682 1.00 0.00 C ATOM 232 C LEU A 14 -24.664 -2.780 5.468 1.00 0.00 C ATOM 233 O LEU A 14 -25.555 -2.208 4.870 1.00 0.00 O ATOM 234 CB LEU A 14 -22.614 -1.604 6.281 1.00 0.00 C ATOM 235 CG LEU A 14 -22.744 -0.606 5.119 1.00 0.00 C ATOM 236 CD1 LEU A 14 -23.708 0.531 5.499 1.00 0.00 C ATOM 237 CD2 LEU A 14 -21.361 -0.026 4.802 1.00 0.00 C ATOM 0 H LEU A 14 -22.864 -3.363 8.021 1.00 0.00 H new ATOM 0 HA LEU A 14 -24.618 -1.328 7.045 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -22.145 -1.117 7.136 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -21.965 -2.429 5.989 1.00 0.00 H new ATOM 0 HG LEU A 14 -23.140 -1.121 4.244 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -23.791 1.231 4.667 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -24.690 0.115 5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -23.326 1.054 6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -21.444 0.683 3.978 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -20.970 0.484 5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -20.684 -0.832 4.519 1.00 0.00 H new ATOM 249 N PHE A 15 -24.239 -3.953 5.094 1.00 0.00 N ATOM 250 CA PHE A 15 -24.841 -4.632 3.909 1.00 0.00 C ATOM 251 C PHE A 15 -25.900 -5.625 4.390 1.00 0.00 C ATOM 252 O PHE A 15 -26.557 -6.279 3.603 1.00 0.00 O ATOM 253 CB PHE A 15 -23.737 -5.366 3.141 1.00 0.00 C ATOM 254 CG PHE A 15 -22.894 -4.362 2.384 1.00 0.00 C ATOM 255 CD1 PHE A 15 -23.317 -3.898 1.133 1.00 0.00 C ATOM 256 CD2 PHE A 15 -21.692 -3.897 2.934 1.00 0.00 C ATOM 257 CE1 PHE A 15 -22.539 -2.970 0.430 1.00 0.00 C ATOM 258 CE2 PHE A 15 -20.913 -2.969 2.230 1.00 0.00 C ATOM 259 CZ PHE A 15 -21.338 -2.505 0.979 1.00 0.00 C ATOM 0 H PHE A 15 -23.497 -4.475 5.559 1.00 0.00 H new ATOM 0 HA PHE A 15 -25.309 -3.901 3.250 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -23.113 -5.932 3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -24.177 -6.083 2.448 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -24.244 -4.256 0.710 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -21.366 -4.254 3.900 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -22.865 -2.613 -0.536 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -19.985 -2.612 2.652 1.00 0.00 H new ATOM 0 HZ PHE A 15 -20.739 -1.788 0.437 1.00 0.00 H new ATOM 269 N ASN A 16 -26.072 -5.733 5.683 1.00 0.00 N ATOM 270 CA ASN A 16 -27.090 -6.674 6.234 1.00 0.00 C ATOM 271 C ASN A 16 -26.815 -8.086 5.719 1.00 0.00 C ATOM 272 O ASN A 16 -27.717 -8.795 5.317 1.00 0.00 O ATOM 273 CB ASN A 16 -28.487 -6.230 5.791 1.00 0.00 C ATOM 274 CG ASN A 16 -29.545 -7.004 6.582 1.00 0.00 C ATOM 275 OD1 ASN A 16 -29.292 -7.454 7.680 1.00 0.00 O ATOM 276 ND2 ASN A 16 -30.732 -7.176 6.065 1.00 0.00 N ATOM 0 H ASN A 16 -25.548 -5.207 6.383 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.035 -6.670 7.323 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -28.608 -5.159 5.953 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -28.615 -6.407 4.723 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -31.445 -7.688 6.584 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -30.946 -6.798 5.142 1.00 0.00 H new ATOM 283 N LEU A 17 -25.573 -8.499 5.717 1.00 0.00 N ATOM 284 CA LEU A 17 -25.239 -9.865 5.214 1.00 0.00 C ATOM 285 C LEU A 17 -25.359 -10.887 6.357 1.00 0.00 C ATOM 286 O LEU A 17 -25.144 -10.553 7.505 1.00 0.00 O ATOM 287 CB LEU A 17 -23.804 -9.861 4.677 1.00 0.00 C ATOM 288 CG LEU A 17 -23.686 -8.842 3.533 1.00 0.00 C ATOM 289 CD1 LEU A 17 -22.211 -8.517 3.286 1.00 0.00 C ATOM 290 CD2 LEU A 17 -24.301 -9.411 2.247 1.00 0.00 C ATOM 0 H LEU A 17 -24.777 -7.950 6.042 1.00 0.00 H new ATOM 0 HA LEU A 17 -25.931 -10.141 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.107 -9.609 5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.535 -10.856 4.321 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.222 -7.936 3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.129 -7.794 2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -21.774 -8.097 4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -21.678 -9.428 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -24.210 -8.678 1.445 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -23.776 -10.324 1.966 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.354 -9.636 2.416 1.00 0.00 H new ATOM 302 N PRO A 18 -25.686 -12.130 6.055 1.00 0.00 N ATOM 303 CA PRO A 18 -25.814 -13.190 7.100 1.00 0.00 C ATOM 304 C PRO A 18 -24.613 -13.222 8.056 1.00 0.00 C ATOM 305 O PRO A 18 -23.471 -13.252 7.637 1.00 0.00 O ATOM 306 CB PRO A 18 -25.877 -14.500 6.295 1.00 0.00 C ATOM 307 CG PRO A 18 -26.366 -14.121 4.929 1.00 0.00 C ATOM 308 CD PRO A 18 -25.984 -12.652 4.703 1.00 0.00 C ATOM 0 HA PRO A 18 -26.685 -13.019 7.732 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -24.896 -14.973 6.241 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -26.551 -15.216 6.766 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -25.914 -14.758 4.168 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -27.445 -14.254 4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -25.119 -12.564 4.045 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -26.798 -12.098 4.235 1.00 0.00 H new ATOM 316 N ARG A 19 -24.872 -13.222 9.338 1.00 0.00 N ATOM 317 CA ARG A 19 -23.767 -13.262 10.338 1.00 0.00 C ATOM 318 C ARG A 19 -23.455 -14.718 10.688 1.00 0.00 C ATOM 319 O ARG A 19 -22.377 -15.040 11.151 1.00 0.00 O ATOM 320 CB ARG A 19 -24.205 -12.515 11.604 1.00 0.00 C ATOM 321 CG ARG A 19 -22.987 -12.247 12.507 1.00 0.00 C ATOM 322 CD ARG A 19 -22.301 -10.940 12.092 1.00 0.00 C ATOM 323 NE ARG A 19 -21.068 -10.745 12.909 1.00 0.00 N ATOM 324 CZ ARG A 19 -19.938 -11.286 12.535 1.00 0.00 C ATOM 325 NH1 ARG A 19 -19.880 -12.005 11.446 1.00 0.00 N ATOM 326 NH2 ARG A 19 -18.861 -11.108 13.254 1.00 0.00 N ATOM 0 H ARG A 19 -25.810 -13.196 9.737 1.00 0.00 H new ATOM 0 HA ARG A 19 -22.877 -12.788 9.923 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -24.681 -11.573 11.333 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -24.946 -13.103 12.145 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -23.303 -12.186 13.548 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -22.282 -13.075 12.436 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -22.047 -10.970 11.032 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -22.980 -10.099 12.233 1.00 0.00 H new ATOM 0 HE ARG A 19 -21.107 -10.188 13.762 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -20.719 -12.147 10.883 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -18.996 -12.425 11.159 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -18.903 -10.548 14.105 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -17.979 -11.529 12.964 1.00 0.00 H new ATOM 340 N ASP A 20 -24.395 -15.598 10.477 1.00 0.00 N ATOM 341 CA ASP A 20 -24.163 -17.032 10.802 1.00 0.00 C ATOM 342 C ASP A 20 -23.408 -17.692 9.649 1.00 0.00 C ATOM 343 O ASP A 20 -23.199 -18.889 9.637 1.00 0.00 O ATOM 344 CB ASP A 20 -25.511 -17.733 10.998 1.00 0.00 C ATOM 345 CG ASP A 20 -26.388 -17.505 9.766 1.00 0.00 C ATOM 346 OD1 ASP A 20 -25.999 -16.712 8.925 1.00 0.00 O ATOM 347 OD2 ASP A 20 -27.435 -18.124 9.689 1.00 0.00 O ATOM 0 H ASP A 20 -25.315 -15.384 10.093 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.576 -17.112 11.717 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -25.358 -18.801 11.156 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -26.008 -17.347 11.888 1.00 0.00 H new ATOM 352 N GLU A 21 -22.998 -16.915 8.679 1.00 0.00 N ATOM 353 CA GLU A 21 -22.251 -17.478 7.514 1.00 0.00 C ATOM 354 C GLU A 21 -20.758 -17.183 7.674 1.00 0.00 C ATOM 355 O GLU A 21 -20.335 -16.043 7.699 1.00 0.00 O ATOM 356 CB GLU A 21 -22.765 -16.830 6.226 1.00 0.00 C ATOM 357 CG GLU A 21 -22.037 -17.426 5.021 1.00 0.00 C ATOM 358 CD GLU A 21 -22.615 -16.834 3.734 1.00 0.00 C ATOM 359 OE1 GLU A 21 -23.341 -15.858 3.828 1.00 0.00 O ATOM 360 OE2 GLU A 21 -22.324 -17.369 2.677 1.00 0.00 O ATOM 0 H GLU A 21 -23.150 -15.907 8.644 1.00 0.00 H new ATOM 0 HA GLU A 21 -22.403 -18.556 7.467 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.839 -16.991 6.130 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -22.606 -15.752 6.262 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -20.970 -17.213 5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -22.146 -18.511 5.016 1.00 0.00 H new ATOM 367 N LYS A 22 -19.958 -18.209 7.780 1.00 0.00 N ATOM 368 CA LYS A 22 -18.490 -18.012 7.939 1.00 0.00 C ATOM 369 C LYS A 22 -17.851 -17.835 6.562 1.00 0.00 C ATOM 370 O LYS A 22 -18.257 -18.448 5.595 1.00 0.00 O ATOM 371 CB LYS A 22 -17.891 -19.241 8.627 1.00 0.00 C ATOM 372 CG LYS A 22 -18.578 -19.475 9.979 1.00 0.00 C ATOM 373 CD LYS A 22 -18.293 -18.301 10.924 1.00 0.00 C ATOM 374 CE LYS A 22 -18.584 -18.719 12.365 1.00 0.00 C ATOM 375 NZ LYS A 22 -18.293 -17.577 13.276 1.00 0.00 N ATOM 0 H LYS A 22 -20.262 -19.183 7.763 1.00 0.00 H new ATOM 0 HA LYS A 22 -18.300 -17.125 8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -18.012 -20.118 7.992 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.820 -19.100 8.774 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -19.653 -19.584 9.836 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.220 -20.404 10.422 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -17.253 -17.989 10.828 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -18.909 -17.444 10.652 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -19.626 -19.022 12.465 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -17.974 -19.581 12.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -18.490 -17.857 14.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.292 -17.308 13.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -18.893 -16.767 13.020 1.00 0.00 H new ATOM 389 N TRP A 23 -16.856 -16.989 6.468 1.00 0.00 N ATOM 390 CA TRP A 23 -16.181 -16.746 5.154 1.00 0.00 C ATOM 391 C TRP A 23 -14.844 -17.481 5.123 1.00 0.00 C ATOM 392 O TRP A 23 -14.465 -18.139 6.071 1.00 0.00 O ATOM 393 CB TRP A 23 -15.933 -15.244 4.978 1.00 0.00 C ATOM 394 CG TRP A 23 -17.185 -14.474 5.278 1.00 0.00 C ATOM 395 CD1 TRP A 23 -18.445 -14.971 5.240 1.00 0.00 C ATOM 396 CD2 TRP A 23 -17.312 -13.073 5.659 1.00 0.00 C ATOM 397 NE1 TRP A 23 -19.332 -13.964 5.573 1.00 0.00 N ATOM 398 CE2 TRP A 23 -18.683 -12.777 5.839 1.00 0.00 C ATOM 399 CE3 TRP A 23 -16.379 -12.042 5.863 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -19.113 -11.504 6.209 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -16.808 -10.759 6.235 1.00 0.00 C ATOM 402 CH2 TRP A 23 -18.172 -10.490 6.408 1.00 0.00 C ATOM 0 H TRP A 23 -16.479 -16.452 7.249 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.818 -17.111 4.348 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -15.131 -14.920 5.641 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.607 -15.039 3.958 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -18.713 -15.987 4.990 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -20.344 -14.085 5.617 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -15.325 -12.239 5.733 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -20.166 -11.303 6.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -16.082 -9.974 6.389 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -18.496 -9.500 6.695 1.00 0.00 H new ATOM 413 N GLU A 24 -14.131 -17.376 4.029 1.00 0.00 N ATOM 414 CA GLU A 24 -12.813 -18.073 3.910 1.00 0.00 C ATOM 415 C GLU A 24 -11.689 -17.041 3.966 1.00 0.00 C ATOM 416 O GLU A 24 -11.597 -16.153 3.141 1.00 0.00 O ATOM 417 CB GLU A 24 -12.767 -18.819 2.577 1.00 0.00 C ATOM 418 CG GLU A 24 -13.755 -19.985 2.631 1.00 0.00 C ATOM 419 CD GLU A 24 -13.788 -20.697 1.279 1.00 0.00 C ATOM 420 OE1 GLU A 24 -13.085 -20.260 0.384 1.00 0.00 O ATOM 421 OE2 GLU A 24 -14.514 -21.671 1.164 1.00 0.00 O ATOM 0 H GLU A 24 -14.407 -16.835 3.209 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.688 -18.781 4.729 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.022 -18.146 1.759 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.759 -19.187 2.385 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.464 -20.685 3.414 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.750 -19.619 2.884 1.00 0.00 H new ATOM 428 N CYS A 25 -10.841 -17.153 4.951 1.00 0.00 N ATOM 429 CA CYS A 25 -9.718 -16.186 5.096 1.00 0.00 C ATOM 430 C CYS A 25 -8.549 -16.619 4.213 1.00 0.00 C ATOM 431 O CYS A 25 -8.233 -17.788 4.112 1.00 0.00 O ATOM 432 CB CYS A 25 -9.268 -16.162 6.559 1.00 0.00 C ATOM 433 SG CYS A 25 -9.229 -17.856 7.200 1.00 0.00 S ATOM 0 H CYS A 25 -10.879 -17.879 5.667 1.00 0.00 H new ATOM 0 HA CYS A 25 -10.048 -15.193 4.792 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.281 -15.707 6.641 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -9.950 -15.552 7.151 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.811 -18.662 6.270 1.00 0.00 H new ATOM 439 N GLU A 26 -7.893 -15.677 3.589 1.00 0.00 N ATOM 440 CA GLU A 26 -6.723 -16.007 2.720 1.00 0.00 C ATOM 441 C GLU A 26 -5.610 -14.999 3.003 1.00 0.00 C ATOM 442 O GLU A 26 -5.813 -13.802 2.945 1.00 0.00 O ATOM 443 CB GLU A 26 -7.135 -15.925 1.249 1.00 0.00 C ATOM 444 CG GLU A 26 -5.957 -16.340 0.367 1.00 0.00 C ATOM 445 CD GLU A 26 -6.388 -16.331 -1.101 1.00 0.00 C ATOM 446 OE1 GLU A 26 -7.453 -15.806 -1.381 1.00 0.00 O ATOM 447 OE2 GLU A 26 -5.646 -16.851 -1.918 1.00 0.00 O ATOM 0 H GLU A 26 -8.119 -14.684 3.644 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.373 -17.017 2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.990 -16.575 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.447 -14.910 1.004 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.120 -15.657 0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.611 -17.334 0.649 1.00 0.00 H new ATOM 454 N SER A 27 -4.437 -15.476 3.323 1.00 0.00 N ATOM 455 CA SER A 27 -3.307 -14.550 3.628 1.00 0.00 C ATOM 456 C SER A 27 -2.567 -14.207 2.337 1.00 0.00 C ATOM 457 O SER A 27 -2.098 -15.078 1.630 1.00 0.00 O ATOM 458 CB SER A 27 -2.343 -15.240 4.594 1.00 0.00 C ATOM 459 OG SER A 27 -1.417 -14.287 5.095 1.00 0.00 O ATOM 0 H SER A 27 -4.212 -16.469 3.387 1.00 0.00 H new ATOM 0 HA SER A 27 -3.693 -13.636 4.079 1.00 0.00 H new ATOM 0 HB2 SER A 27 -2.897 -15.693 5.416 1.00 0.00 H new ATOM 0 HB3 SER A 27 -1.814 -16.045 4.084 1.00 0.00 H new ATOM 0 HG SER A 27 -0.799 -14.726 5.716 1.00 0.00 H new ATOM 465 N ILE A 28 -2.455 -12.940 2.027 1.00 0.00 N ATOM 466 CA ILE A 28 -1.741 -12.522 0.781 1.00 0.00 C ATOM 467 C ILE A 28 -0.816 -11.350 1.116 1.00 0.00 C ATOM 468 O ILE A 28 -1.206 -10.406 1.772 1.00 0.00 O ATOM 469 CB ILE A 28 -2.769 -12.090 -0.270 1.00 0.00 C ATOM 470 CG1 ILE A 28 -3.757 -13.234 -0.500 1.00 0.00 C ATOM 471 CG2 ILE A 28 -2.063 -11.777 -1.592 1.00 0.00 C ATOM 472 CD1 ILE A 28 -4.847 -12.781 -1.471 1.00 0.00 C ATOM 0 H ILE A 28 -2.829 -12.173 2.586 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.154 -13.351 0.386 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.292 -11.201 0.083 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.236 -14.103 -0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.203 -13.539 0.447 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.800 -11.471 -2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.345 -10.971 -1.439 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.541 -12.666 -1.945 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.551 -13.597 -1.634 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.375 -11.925 -1.051 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.393 -12.498 -2.421 1.00 0.00 H new ATOM 484 N GLU A 29 0.411 -11.409 0.670 1.00 0.00 N ATOM 485 CA GLU A 29 1.379 -10.306 0.956 1.00 0.00 C ATOM 486 C GLU A 29 1.496 -9.403 -0.269 1.00 0.00 C ATOM 487 O GLU A 29 1.748 -9.862 -1.367 1.00 0.00 O ATOM 488 CB GLU A 29 2.744 -10.914 1.278 1.00 0.00 C ATOM 489 CG GLU A 29 2.661 -11.649 2.616 1.00 0.00 C ATOM 490 CD GLU A 29 4.002 -12.312 2.925 1.00 0.00 C ATOM 491 OE1 GLU A 29 4.906 -12.182 2.116 1.00 0.00 O ATOM 492 OE2 GLU A 29 4.106 -12.937 3.968 1.00 0.00 O ATOM 0 H GLU A 29 0.788 -12.178 0.116 1.00 0.00 H new ATOM 0 HA GLU A 29 1.030 -9.717 1.804 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.044 -11.603 0.489 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.502 -10.132 1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.399 -10.950 3.410 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.873 -12.401 2.580 1.00 0.00 H new ATOM 499 N GLU A 30 1.312 -8.117 -0.096 1.00 0.00 N ATOM 500 CA GLU A 30 1.412 -7.180 -1.262 1.00 0.00 C ATOM 501 C GLU A 30 2.065 -5.868 -0.830 1.00 0.00 C ATOM 502 O GLU A 30 2.056 -5.503 0.329 1.00 0.00 O ATOM 503 CB GLU A 30 0.019 -6.888 -1.820 1.00 0.00 C ATOM 504 CG GLU A 30 -0.528 -8.138 -2.508 1.00 0.00 C ATOM 505 CD GLU A 30 -1.938 -7.859 -3.034 1.00 0.00 C ATOM 506 OE1 GLU A 30 -2.391 -6.735 -2.889 1.00 0.00 O ATOM 507 OE2 GLU A 30 -2.538 -8.772 -3.577 1.00 0.00 O ATOM 0 H GLU A 30 1.098 -7.675 0.798 1.00 0.00 H new ATOM 0 HA GLU A 30 2.022 -7.651 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.649 -6.581 -1.016 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.066 -6.061 -2.529 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.127 -8.429 -3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.549 -8.972 -1.806 1.00 0.00 H new ATOM 514 N VAL A 31 2.627 -5.160 -1.769 1.00 0.00 N ATOM 515 CA VAL A 31 3.287 -3.867 -1.448 1.00 0.00 C ATOM 516 C VAL A 31 2.224 -2.803 -1.170 1.00 0.00 C ATOM 517 O VAL A 31 1.244 -2.687 -1.880 1.00 0.00 O ATOM 518 CB VAL A 31 4.158 -3.441 -2.627 1.00 0.00 C ATOM 519 CG1 VAL A 31 4.719 -2.043 -2.370 1.00 0.00 C ATOM 520 CG2 VAL A 31 5.312 -4.435 -2.781 1.00 0.00 C ATOM 0 H VAL A 31 2.657 -5.425 -2.753 1.00 0.00 H new ATOM 0 HA VAL A 31 3.911 -3.982 -0.562 1.00 0.00 H new ATOM 0 HB VAL A 31 3.561 -3.426 -3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.341 -1.740 -3.212 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.897 -1.337 -2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.320 -2.054 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.939 -4.137 -3.622 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.909 -4.444 -1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.911 -5.432 -2.963 1.00 0.00 H new ATOM 530 N ALA A 32 2.408 -2.032 -0.131 1.00 0.00 N ATOM 531 CA ALA A 32 1.407 -0.979 0.210 1.00 0.00 C ATOM 532 C ALA A 32 1.259 -0.010 -0.961 1.00 0.00 C ATOM 533 O ALA A 32 0.168 0.374 -1.333 1.00 0.00 O ATOM 534 CB ALA A 32 1.890 -0.209 1.441 1.00 0.00 C ATOM 0 H ALA A 32 3.210 -2.086 0.497 1.00 0.00 H new ATOM 0 HA ALA A 32 0.444 -1.447 0.417 1.00 0.00 H new ATOM 0 HB1 ALA A 32 1.163 0.562 1.696 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.999 -0.896 2.280 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.852 0.256 1.225 1.00 0.00 H new ATOM 540 N ASP A 33 2.352 0.391 -1.539 1.00 0.00 N ATOM 541 CA ASP A 33 2.288 1.344 -2.679 1.00 0.00 C ATOM 542 C ASP A 33 1.467 0.728 -3.816 1.00 0.00 C ATOM 543 O ASP A 33 1.216 1.360 -4.825 1.00 0.00 O ATOM 544 CB ASP A 33 3.713 1.624 -3.167 1.00 0.00 C ATOM 545 CG ASP A 33 3.703 2.775 -4.173 1.00 0.00 C ATOM 546 OD1 ASP A 33 2.721 3.498 -4.207 1.00 0.00 O ATOM 547 OD2 ASP A 33 4.679 2.912 -4.893 1.00 0.00 O ATOM 0 H ASP A 33 3.292 0.099 -1.271 1.00 0.00 H new ATOM 0 HA ASP A 33 1.816 2.273 -2.361 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.353 1.875 -2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.131 0.729 -3.629 1.00 0.00 H new ATOM 552 N ASP A 34 1.053 -0.506 -3.664 1.00 0.00 N ATOM 553 CA ASP A 34 0.256 -1.176 -4.738 1.00 0.00 C ATOM 554 C ASP A 34 -1.237 -1.071 -4.416 1.00 0.00 C ATOM 555 O ASP A 34 -2.019 -0.593 -5.215 1.00 0.00 O ATOM 556 CB ASP A 34 0.656 -2.652 -4.812 1.00 0.00 C ATOM 557 CG ASP A 34 0.123 -3.264 -6.109 1.00 0.00 C ATOM 558 OD1 ASP A 34 -0.621 -2.587 -6.799 1.00 0.00 O ATOM 559 OD2 ASP A 34 0.470 -4.400 -6.390 1.00 0.00 O ATOM 0 H ASP A 34 1.233 -1.080 -2.840 1.00 0.00 H new ATOM 0 HA ASP A 34 0.453 -0.690 -5.694 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.741 -2.748 -4.772 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.257 -3.191 -3.953 1.00 0.00 H new ATOM 564 N ILE A 35 -1.640 -1.521 -3.256 1.00 0.00 N ATOM 565 CA ILE A 35 -3.086 -1.454 -2.885 1.00 0.00 C ATOM 566 C ILE A 35 -3.344 -0.189 -2.069 1.00 0.00 C ATOM 567 O ILE A 35 -4.476 0.166 -1.804 1.00 0.00 O ATOM 568 CB ILE A 35 -3.461 -2.685 -2.057 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.473 -2.851 -0.900 1.00 0.00 C ATOM 570 CG2 ILE A 35 -3.418 -3.933 -2.943 1.00 0.00 C ATOM 571 CD1 ILE A 35 -2.985 -3.930 0.055 1.00 0.00 C ATOM 0 H ILE A 35 -1.030 -1.932 -2.549 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.692 -1.431 -3.791 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.467 -2.555 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.490 -3.126 -1.283 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.356 -1.906 -0.369 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.685 -4.809 -2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.125 -3.820 -3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.413 -4.060 -3.345 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.282 -4.049 0.880 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.959 -3.636 0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.080 -4.875 -0.480 1.00 0.00 H new ATOM 583 N LEU A 36 -2.297 0.502 -1.680 1.00 0.00 N ATOM 584 CA LEU A 36 -2.454 1.760 -0.894 1.00 0.00 C ATOM 585 C LEU A 36 -1.843 2.923 -1.701 1.00 0.00 C ATOM 586 O LEU A 36 -0.668 3.209 -1.587 1.00 0.00 O ATOM 587 CB LEU A 36 -1.729 1.600 0.465 1.00 0.00 C ATOM 588 CG LEU A 36 -2.745 1.699 1.620 1.00 0.00 C ATOM 589 CD1 LEU A 36 -3.425 3.086 1.603 1.00 0.00 C ATOM 590 CD2 LEU A 36 -3.807 0.582 1.481 1.00 0.00 C ATOM 0 H LEU A 36 -1.331 0.241 -1.878 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.507 1.969 -0.706 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.217 0.639 0.502 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.967 2.372 0.573 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.223 1.574 2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -4.142 3.150 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.670 3.863 1.721 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.944 3.225 0.655 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.523 0.656 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.330 0.693 0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.318 -0.391 1.514 1.00 0.00 H new ATOM 602 N PRO A 37 -2.637 3.586 -2.509 1.00 0.00 N ATOM 603 CA PRO A 37 -2.167 4.733 -3.346 1.00 0.00 C ATOM 604 C PRO A 37 -1.482 5.828 -2.518 1.00 0.00 C ATOM 605 O PRO A 37 -1.699 5.952 -1.328 1.00 0.00 O ATOM 606 CB PRO A 37 -3.454 5.273 -3.998 1.00 0.00 C ATOM 607 CG PRO A 37 -4.423 4.135 -3.960 1.00 0.00 C ATOM 608 CD PRO A 37 -4.071 3.313 -2.722 1.00 0.00 C ATOM 0 HA PRO A 37 -1.415 4.415 -4.069 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.839 6.135 -3.454 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.270 5.599 -5.022 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.449 4.500 -3.906 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.347 3.529 -4.863 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.667 3.614 -1.860 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.256 2.251 -2.882 1.00 0.00 H new ATOM 616 N ASP A 38 -0.653 6.618 -3.148 1.00 0.00 N ATOM 617 CA ASP A 38 0.060 7.706 -2.420 1.00 0.00 C ATOM 618 C ASP A 38 -0.950 8.554 -1.644 1.00 0.00 C ATOM 619 O ASP A 38 -0.585 9.417 -0.869 1.00 0.00 O ATOM 620 CB ASP A 38 0.803 8.582 -3.429 1.00 0.00 C ATOM 621 CG ASP A 38 -0.186 9.122 -4.462 1.00 0.00 C ATOM 622 OD1 ASP A 38 -1.341 8.732 -4.406 1.00 0.00 O ATOM 623 OD2 ASP A 38 0.229 9.911 -5.293 1.00 0.00 O ATOM 0 H ASP A 38 -0.438 6.555 -4.143 1.00 0.00 H new ATOM 0 HA ASP A 38 0.773 7.272 -1.719 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.296 9.408 -2.916 1.00 0.00 H new ATOM 0 HB3 ASP A 38 1.583 8.003 -3.924 1.00 0.00 H new ATOM 628 N GLN A 39 -2.217 8.314 -1.847 1.00 0.00 N ATOM 629 CA GLN A 39 -3.254 9.101 -1.124 1.00 0.00 C ATOM 630 C GLN A 39 -2.993 9.029 0.382 1.00 0.00 C ATOM 631 O GLN A 39 -3.139 10.008 1.087 1.00 0.00 O ATOM 632 CB GLN A 39 -4.635 8.518 -1.431 1.00 0.00 C ATOM 633 CG GLN A 39 -4.994 8.804 -2.889 1.00 0.00 C ATOM 634 CD GLN A 39 -6.329 8.140 -3.227 1.00 0.00 C ATOM 635 OE1 GLN A 39 -6.975 7.574 -2.367 1.00 0.00 O ATOM 636 NE2 GLN A 39 -6.774 8.185 -4.453 1.00 0.00 N ATOM 0 H GLN A 39 -2.579 7.605 -2.484 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.215 10.141 -1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.637 7.443 -1.249 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.382 8.955 -0.768 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.059 9.879 -3.054 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.212 8.427 -3.548 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.232 8.660 -5.175 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.664 7.745 -4.689 1.00 0.00 H new ATOM 645 N TYR A 40 -2.613 7.875 0.877 1.00 0.00 N ATOM 646 CA TYR A 40 -2.342 7.721 2.344 1.00 0.00 C ATOM 647 C TYR A 40 -0.875 7.344 2.566 1.00 0.00 C ATOM 648 O TYR A 40 -0.412 7.263 3.686 1.00 0.00 O ATOM 649 CB TYR A 40 -3.234 6.613 2.900 1.00 0.00 C ATOM 650 CG TYR A 40 -4.680 7.016 2.752 1.00 0.00 C ATOM 651 CD1 TYR A 40 -5.313 7.731 3.773 1.00 0.00 C ATOM 652 CD2 TYR A 40 -5.385 6.676 1.592 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.654 8.108 3.636 1.00 0.00 C ATOM 654 CE2 TYR A 40 -6.727 7.051 1.454 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.361 7.767 2.476 1.00 0.00 C ATOM 656 OH TYR A 40 -8.683 8.137 2.340 1.00 0.00 O ATOM 0 H TYR A 40 -2.478 7.028 0.325 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.552 8.662 2.852 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.048 5.680 2.368 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.000 6.434 3.949 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.767 7.992 4.668 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.894 6.125 0.804 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -7.143 8.661 4.424 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.272 6.788 0.560 1.00 0.00 H new ATOM 0 HH TYR A 40 -9.023 7.823 1.476 1.00 0.00 H new ATOM 666 N VAL A 41 -0.142 7.118 1.503 1.00 0.00 N ATOM 667 CA VAL A 41 1.303 6.748 1.632 1.00 0.00 C ATOM 668 C VAL A 41 2.165 7.898 1.104 1.00 0.00 C ATOM 669 O VAL A 41 2.401 8.020 -0.081 1.00 0.00 O ATOM 670 CB VAL A 41 1.572 5.480 0.813 1.00 0.00 C ATOM 671 CG1 VAL A 41 3.070 5.179 0.798 1.00 0.00 C ATOM 672 CG2 VAL A 41 0.831 4.302 1.446 1.00 0.00 C ATOM 0 H VAL A 41 -0.485 7.174 0.544 1.00 0.00 H new ATOM 0 HA VAL A 41 1.549 6.562 2.678 1.00 0.00 H new ATOM 0 HB VAL A 41 1.223 5.633 -0.208 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.254 4.277 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.605 6.016 0.350 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.421 5.029 1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.020 3.399 0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.183 4.157 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.239 4.509 1.457 1.00 0.00 H new ATOM 682 N ARG A 42 2.634 8.742 1.985 1.00 0.00 N ATOM 683 CA ARG A 42 3.484 9.896 1.558 1.00 0.00 C ATOM 684 C ARG A 42 4.962 9.518 1.687 1.00 0.00 C ATOM 685 O ARG A 42 5.632 9.926 2.615 1.00 0.00 O ATOM 686 CB ARG A 42 3.179 11.103 2.455 1.00 0.00 C ATOM 687 CG ARG A 42 1.786 11.642 2.115 1.00 0.00 C ATOM 688 CD ARG A 42 1.446 12.823 3.027 1.00 0.00 C ATOM 689 NE ARG A 42 0.099 13.349 2.667 1.00 0.00 N ATOM 690 CZ ARG A 42 -0.441 14.310 3.367 1.00 0.00 C ATOM 691 NH1 ARG A 42 0.196 14.818 4.385 1.00 0.00 N ATOM 692 NH2 ARG A 42 -1.624 14.765 3.045 1.00 0.00 N ATOM 0 H ARG A 42 2.464 8.682 2.989 1.00 0.00 H new ATOM 0 HA ARG A 42 3.268 10.148 0.520 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.224 10.812 3.505 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.929 11.880 2.307 1.00 0.00 H new ATOM 0 HG2 ARG A 42 1.753 11.956 1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.043 10.854 2.234 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.459 12.508 4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.196 13.607 2.921 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.403 12.957 1.871 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.119 14.465 4.637 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.229 15.569 4.930 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -2.123 14.369 2.248 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.048 15.516 3.591 1.00 0.00 H new ATOM 706 N LEU A 43 5.469 8.745 0.752 1.00 0.00 N ATOM 707 CA LEU A 43 6.906 8.321 0.794 1.00 0.00 C ATOM 708 C LEU A 43 7.330 8.029 2.237 1.00 0.00 C ATOM 709 O LEU A 43 8.491 8.120 2.586 1.00 0.00 O ATOM 710 CB LEU A 43 7.785 9.436 0.209 1.00 0.00 C ATOM 711 CG LEU A 43 7.310 9.783 -1.210 1.00 0.00 C ATOM 712 CD1 LEU A 43 8.154 10.938 -1.759 1.00 0.00 C ATOM 713 CD2 LEU A 43 7.459 8.560 -2.131 1.00 0.00 C ATOM 0 H LEU A 43 4.942 8.387 -0.045 1.00 0.00 H new ATOM 0 HA LEU A 43 7.028 7.413 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 43 7.738 10.320 0.845 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.827 9.116 0.186 1.00 0.00 H new ATOM 0 HG LEU A 43 6.261 10.076 -1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.819 11.187 -2.766 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.042 11.809 -1.114 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.202 10.641 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 43 7.119 8.817 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 43 8.506 8.258 -2.168 1.00 0.00 H new ATOM 0 HD23 LEU A 43 6.858 7.738 -1.744 1.00 0.00 H new ATOM 725 N GLY A 44 6.391 7.678 3.074 1.00 0.00 N ATOM 726 CA GLY A 44 6.718 7.376 4.497 1.00 0.00 C ATOM 727 C GLY A 44 7.132 5.907 4.630 1.00 0.00 C ATOM 728 O GLY A 44 7.454 5.256 3.657 1.00 0.00 O ATOM 0 H GLY A 44 5.405 7.587 2.831 1.00 0.00 H new ATOM 0 HA2 GLY A 44 7.524 8.024 4.840 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.854 7.579 5.130 1.00 0.00 H new ATOM 732 N PRO A 45 7.119 5.392 5.834 1.00 0.00 N ATOM 733 CA PRO A 45 7.497 3.973 6.115 1.00 0.00 C ATOM 734 C PRO A 45 6.608 2.983 5.351 1.00 0.00 C ATOM 735 O PRO A 45 6.986 1.857 5.099 1.00 0.00 O ATOM 736 CB PRO A 45 7.291 3.828 7.638 1.00 0.00 C ATOM 737 CG PRO A 45 7.322 5.226 8.172 1.00 0.00 C ATOM 738 CD PRO A 45 6.751 6.109 7.065 1.00 0.00 C ATOM 0 HA PRO A 45 8.516 3.751 5.798 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.342 3.341 7.863 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.076 3.218 8.085 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.729 5.309 9.083 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.339 5.525 8.425 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.671 6.221 7.157 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.179 7.111 7.089 1.00 0.00 H new ATOM 746 N LEU A 46 5.424 3.399 5.000 1.00 0.00 N ATOM 747 CA LEU A 46 4.486 2.500 4.267 1.00 0.00 C ATOM 748 C LEU A 46 4.772 2.574 2.763 1.00 0.00 C ATOM 749 O LEU A 46 3.991 2.124 1.949 1.00 0.00 O ATOM 750 CB LEU A 46 3.049 2.948 4.550 1.00 0.00 C ATOM 751 CG LEU A 46 2.794 2.937 6.064 1.00 0.00 C ATOM 752 CD1 LEU A 46 1.375 3.437 6.345 1.00 0.00 C ATOM 753 CD2 LEU A 46 2.958 1.508 6.618 1.00 0.00 C ATOM 0 H LEU A 46 5.061 4.333 5.191 1.00 0.00 H new ATOM 0 HA LEU A 46 4.620 1.471 4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.884 3.949 4.151 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.345 2.284 4.048 1.00 0.00 H new ATOM 0 HG LEU A 46 3.516 3.591 6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.193 3.430 7.420 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.265 4.453 5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.655 2.785 5.850 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.775 1.511 7.693 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.244 0.844 6.130 1.00 0.00 H new ATOM 0 HD23 LEU A 46 3.971 1.156 6.424 1.00 0.00 H new ATOM 765 N SER A 47 5.888 3.149 2.395 1.00 0.00 N ATOM 766 CA SER A 47 6.241 3.268 0.949 1.00 0.00 C ATOM 767 C SER A 47 6.205 1.890 0.276 1.00 0.00 C ATOM 768 O SER A 47 5.151 1.342 0.013 1.00 0.00 O ATOM 769 CB SER A 47 7.650 3.851 0.830 1.00 0.00 C ATOM 770 OG SER A 47 8.572 2.986 1.482 1.00 0.00 O ATOM 0 H SER A 47 6.574 3.544 3.039 1.00 0.00 H new ATOM 0 HA SER A 47 5.519 3.919 0.456 1.00 0.00 H new ATOM 0 HB2 SER A 47 7.921 3.966 -0.219 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.685 4.844 1.279 1.00 0.00 H new ATOM 0 HG SER A 47 8.668 3.256 2.419 1.00 0.00 H new ATOM 776 N ASN A 48 7.353 1.337 -0.011 1.00 0.00 N ATOM 777 CA ASN A 48 7.417 0.002 -0.676 1.00 0.00 C ATOM 778 C ASN A 48 7.351 -1.099 0.383 1.00 0.00 C ATOM 779 O ASN A 48 7.637 -2.250 0.118 1.00 0.00 O ATOM 780 CB ASN A 48 8.734 -0.110 -1.452 1.00 0.00 C ATOM 781 CG ASN A 48 8.789 -1.446 -2.196 1.00 0.00 C ATOM 782 OD1 ASN A 48 7.769 -2.022 -2.516 1.00 0.00 O ATOM 783 ND2 ASN A 48 9.951 -1.963 -2.492 1.00 0.00 N ATOM 0 H ASN A 48 8.260 1.758 0.189 1.00 0.00 H new ATOM 0 HA ASN A 48 6.577 -0.108 -1.362 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.820 0.714 -2.160 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.578 -0.031 -0.767 1.00 0.00 H new ATOM 0 HD21 ASN A 48 10.002 -2.851 -2.992 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.808 -1.479 -2.223 1.00 0.00 H new ATOM 790 N LYS A 49 6.984 -0.746 1.584 1.00 0.00 N ATOM 791 CA LYS A 49 6.908 -1.756 2.677 1.00 0.00 C ATOM 792 C LYS A 49 5.834 -2.799 2.363 1.00 0.00 C ATOM 793 O LYS A 49 4.739 -2.478 1.946 1.00 0.00 O ATOM 794 CB LYS A 49 6.572 -1.050 3.991 1.00 0.00 C ATOM 795 CG LYS A 49 6.611 -2.055 5.141 1.00 0.00 C ATOM 796 CD LYS A 49 6.418 -1.316 6.468 1.00 0.00 C ATOM 797 CE LYS A 49 6.487 -2.314 7.623 1.00 0.00 C ATOM 798 NZ LYS A 49 5.289 -3.197 7.587 1.00 0.00 N ATOM 0 H LYS A 49 6.732 0.204 1.857 1.00 0.00 H new ATOM 0 HA LYS A 49 7.870 -2.261 2.765 1.00 0.00 H new ATOM 0 HB2 LYS A 49 7.284 -0.245 4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.584 -0.594 3.927 1.00 0.00 H new ATOM 0 HG2 LYS A 49 5.829 -2.803 5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.563 -2.586 5.143 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.187 -0.553 6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.456 -0.803 6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.395 -2.912 7.548 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.533 -1.783 8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.360 -3.909 8.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.432 -2.625 7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.237 -3.674 6.664 1.00 0.00 H new ATOM 812 N ILE A 50 6.152 -4.052 2.563 1.00 0.00 N ATOM 813 CA ILE A 50 5.167 -5.136 2.284 1.00 0.00 C ATOM 814 C ILE A 50 4.263 -5.332 3.500 1.00 0.00 C ATOM 815 O ILE A 50 4.728 -5.539 4.604 1.00 0.00 O ATOM 816 CB ILE A 50 5.921 -6.431 1.983 1.00 0.00 C ATOM 817 CG1 ILE A 50 6.728 -6.250 0.694 1.00 0.00 C ATOM 818 CG2 ILE A 50 4.924 -7.578 1.810 1.00 0.00 C ATOM 819 CD1 ILE A 50 7.681 -7.430 0.514 1.00 0.00 C ATOM 0 H ILE A 50 7.057 -4.371 2.909 1.00 0.00 H new ATOM 0 HA ILE A 50 4.553 -4.865 1.425 1.00 0.00 H new ATOM 0 HB ILE A 50 6.594 -6.666 2.808 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.055 -6.180 -0.161 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.291 -5.318 0.734 1.00 0.00 H new ATOM 0 HG21 ILE A 50 5.464 -8.500 1.595 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.347 -7.700 2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.249 -7.352 0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.254 -7.298 -0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.363 -7.480 1.363 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.108 -8.355 0.454 1.00 0.00 H new ATOM 831 N LEU A 51 2.970 -5.264 3.301 1.00 0.00 N ATOM 832 CA LEU A 51 2.007 -5.437 4.434 1.00 0.00 C ATOM 833 C LEU A 51 1.220 -6.734 4.253 1.00 0.00 C ATOM 834 O LEU A 51 0.929 -7.158 3.144 1.00 0.00 O ATOM 835 CB LEU A 51 1.035 -4.254 4.461 1.00 0.00 C ATOM 836 CG LEU A 51 1.819 -2.942 4.588 1.00 0.00 C ATOM 837 CD1 LEU A 51 0.838 -1.767 4.600 1.00 0.00 C ATOM 838 CD2 LEU A 51 2.646 -2.940 5.885 1.00 0.00 C ATOM 0 H LEU A 51 2.536 -5.094 2.394 1.00 0.00 H new ATOM 0 HA LEU A 51 2.561 -5.480 5.372 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.435 -4.243 3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.344 -4.358 5.297 1.00 0.00 H new ATOM 0 HG LEU A 51 2.497 -2.846 3.740 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.391 -0.832 4.690 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.265 -1.762 3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.158 -1.869 5.446 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.198 -2.003 5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.980 -3.041 6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.347 -3.774 5.871 1.00 0.00 H new ATOM 850 N GLN A 52 0.878 -7.366 5.343 1.00 0.00 N ATOM 851 CA GLN A 52 0.110 -8.635 5.268 1.00 0.00 C ATOM 852 C GLN A 52 -1.350 -8.308 4.966 1.00 0.00 C ATOM 853 O GLN A 52 -2.011 -7.628 5.729 1.00 0.00 O ATOM 854 CB GLN A 52 0.205 -9.354 6.614 1.00 0.00 C ATOM 855 CG GLN A 52 1.673 -9.446 7.039 1.00 0.00 C ATOM 856 CD GLN A 52 2.474 -10.172 5.958 1.00 0.00 C ATOM 857 OE1 GLN A 52 3.117 -9.545 5.140 1.00 0.00 O ATOM 858 NE2 GLN A 52 2.457 -11.476 5.918 1.00 0.00 N ATOM 0 H GLN A 52 1.101 -7.053 6.288 1.00 0.00 H new ATOM 0 HA GLN A 52 0.514 -9.275 4.484 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.370 -8.816 7.368 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.226 -10.352 6.537 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.079 -8.447 7.198 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.755 -9.978 7.987 1.00 0.00 H new ATOM 0 HE21 GLN A 52 1.916 -12.000 6.606 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.984 -11.971 5.199 1.00 0.00 H new ATOM 867 N THR A 53 -1.857 -8.781 3.857 1.00 0.00 N ATOM 868 CA THR A 53 -3.279 -8.497 3.487 1.00 0.00 C ATOM 869 C THR A 53 -4.103 -9.775 3.619 1.00 0.00 C ATOM 870 O THR A 53 -3.816 -10.777 2.997 1.00 0.00 O ATOM 871 CB THR A 53 -3.330 -8.008 2.036 1.00 0.00 C ATOM 872 OG1 THR A 53 -3.310 -9.128 1.161 1.00 0.00 O ATOM 873 CG2 THR A 53 -2.118 -7.120 1.752 1.00 0.00 C ATOM 0 H THR A 53 -1.345 -9.355 3.187 1.00 0.00 H new ATOM 0 HA THR A 53 -3.686 -7.733 4.149 1.00 0.00 H new ATOM 0 HB THR A 53 -4.244 -7.435 1.877 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.764 -9.841 1.554 1.00 0.00 H new ATOM 0 HG21 THR A 53 -2.155 -6.773 0.719 1.00 0.00 H new ATOM 0 HG22 THR A 53 -2.130 -6.262 2.424 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.203 -7.691 1.910 1.00 0.00 H new ATOM 881 N ASN A 54 -5.138 -9.735 4.418 1.00 0.00 N ATOM 882 CA ASN A 54 -6.013 -10.934 4.602 1.00 0.00 C ATOM 883 C ASN A 54 -7.368 -10.654 3.956 1.00 0.00 C ATOM 884 O ASN A 54 -8.175 -9.914 4.482 1.00 0.00 O ATOM 885 CB ASN A 54 -6.200 -11.207 6.095 1.00 0.00 C ATOM 886 CG ASN A 54 -7.023 -12.481 6.282 1.00 0.00 C ATOM 887 OD1 ASN A 54 -7.711 -12.639 7.380 1.00 0.00 O flip ATOM 888 ND2 ASN A 54 -7.038 -13.342 5.426 1.00 0.00 N flip ATOM 0 H ASN A 54 -5.418 -8.915 4.957 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.554 -11.806 4.137 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.230 -11.314 6.580 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.702 -10.364 6.569 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.500 -13.218 4.568 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.588 -14.189 5.565 1.00 0.00 H new ATOM 895 N THR A 55 -7.614 -11.231 2.811 1.00 0.00 N ATOM 896 CA THR A 55 -8.909 -10.998 2.104 1.00 0.00 C ATOM 897 C THR A 55 -9.880 -12.141 2.398 1.00 0.00 C ATOM 898 O THR A 55 -9.499 -13.295 2.458 1.00 0.00 O ATOM 899 CB THR A 55 -8.655 -10.926 0.598 1.00 0.00 C ATOM 900 OG1 THR A 55 -7.703 -9.907 0.328 1.00 0.00 O ATOM 901 CG2 THR A 55 -9.962 -10.607 -0.128 1.00 0.00 C ATOM 0 H THR A 55 -6.969 -11.859 2.331 1.00 0.00 H new ATOM 0 HA THR A 55 -9.344 -10.061 2.453 1.00 0.00 H new ATOM 0 HB THR A 55 -8.272 -11.885 0.249 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.538 -9.861 -0.637 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.779 -10.556 -1.201 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.693 -11.389 0.079 1.00 0.00 H new ATOM 0 HG23 THR A 55 -10.347 -9.649 0.220 1.00 0.00 H new ATOM 909 N TYR A 56 -11.136 -11.822 2.578 1.00 0.00 N ATOM 910 CA TYR A 56 -12.163 -12.873 2.862 1.00 0.00 C ATOM 911 C TYR A 56 -13.010 -13.089 1.610 1.00 0.00 C ATOM 912 O TYR A 56 -13.397 -12.145 0.950 1.00 0.00 O ATOM 913 CB TYR A 56 -13.069 -12.401 4.000 1.00 0.00 C ATOM 914 CG TYR A 56 -12.265 -12.298 5.271 1.00 0.00 C ATOM 915 CD1 TYR A 56 -11.524 -11.141 5.539 1.00 0.00 C ATOM 916 CD2 TYR A 56 -12.260 -13.361 6.181 1.00 0.00 C ATOM 917 CE1 TYR A 56 -10.778 -11.048 6.720 1.00 0.00 C ATOM 918 CE2 TYR A 56 -11.514 -13.268 7.361 1.00 0.00 C ATOM 919 CZ TYR A 56 -10.773 -12.111 7.630 1.00 0.00 C ATOM 920 OH TYR A 56 -10.037 -12.021 8.793 1.00 0.00 O ATOM 0 H TYR A 56 -11.499 -10.869 2.540 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.670 -13.803 3.146 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -13.506 -11.433 3.754 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.895 -13.099 4.135 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -11.528 -10.321 4.836 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -12.832 -14.253 5.973 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -10.206 -10.156 6.929 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -11.510 -14.088 8.064 1.00 0.00 H new ATOM 0 HH TYR A 56 -9.092 -12.189 8.596 1.00 0.00 H new ATOM 930 N TYR A 57 -13.298 -14.323 1.274 1.00 0.00 N ATOM 931 CA TYR A 57 -14.123 -14.608 0.054 1.00 0.00 C ATOM 932 C TYR A 57 -15.320 -15.487 0.419 1.00 0.00 C ATOM 933 O TYR A 57 -15.180 -16.563 0.973 1.00 0.00 O ATOM 934 CB TYR A 57 -13.257 -15.327 -0.984 1.00 0.00 C ATOM 935 CG TYR A 57 -12.245 -14.355 -1.547 1.00 0.00 C ATOM 936 CD1 TYR A 57 -12.640 -13.420 -2.510 1.00 0.00 C ATOM 937 CD2 TYR A 57 -10.916 -14.389 -1.107 1.00 0.00 C ATOM 938 CE1 TYR A 57 -11.709 -12.518 -3.034 1.00 0.00 C ATOM 939 CE2 TYR A 57 -9.983 -13.486 -1.631 1.00 0.00 C ATOM 940 CZ TYR A 57 -10.380 -12.552 -2.595 1.00 0.00 C ATOM 941 OH TYR A 57 -9.460 -11.662 -3.113 1.00 0.00 O ATOM 0 H TYR A 57 -12.997 -15.148 1.792 1.00 0.00 H new ATOM 0 HA TYR A 57 -14.489 -13.668 -0.358 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.748 -16.175 -0.526 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -13.882 -15.724 -1.784 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -13.665 -13.395 -2.849 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -10.611 -15.111 -0.364 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -12.015 -11.796 -3.777 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -8.958 -13.510 -1.292 1.00 0.00 H new ATOM 0 HH TYR A 57 -8.585 -11.819 -2.701 1.00 0.00 H new ATOM 951 N SER A 58 -16.500 -15.026 0.094 1.00 0.00 N ATOM 952 CA SER A 58 -17.744 -15.803 0.380 1.00 0.00 C ATOM 953 C SER A 58 -18.681 -15.701 -0.829 1.00 0.00 C ATOM 954 O SER A 58 -18.523 -14.851 -1.682 1.00 0.00 O ATOM 955 CB SER A 58 -18.423 -15.241 1.634 1.00 0.00 C ATOM 956 OG SER A 58 -18.044 -16.025 2.750 1.00 0.00 O ATOM 0 H SER A 58 -16.657 -14.129 -0.365 1.00 0.00 H new ATOM 0 HA SER A 58 -17.500 -16.850 0.558 1.00 0.00 H new ATOM 0 HB2 SER A 58 -18.132 -14.202 1.787 1.00 0.00 H new ATOM 0 HB3 SER A 58 -19.506 -15.254 1.514 1.00 0.00 H new ATOM 0 HG SER A 58 -17.917 -15.445 3.529 1.00 0.00 H new ATOM 962 N ASP A 59 -19.657 -16.560 -0.900 1.00 0.00 N ATOM 963 CA ASP A 59 -20.612 -16.518 -2.043 1.00 0.00 C ATOM 964 C ASP A 59 -21.378 -15.192 -2.025 1.00 0.00 C ATOM 965 O ASP A 59 -21.620 -14.589 -3.054 1.00 0.00 O ATOM 966 CB ASP A 59 -21.599 -17.678 -1.907 1.00 0.00 C ATOM 967 CG ASP A 59 -22.575 -17.666 -3.084 1.00 0.00 C ATOM 968 OD1 ASP A 59 -22.532 -16.721 -3.855 1.00 0.00 O ATOM 969 OD2 ASP A 59 -23.350 -18.602 -3.194 1.00 0.00 O ATOM 0 H ASP A 59 -19.836 -17.293 -0.213 1.00 0.00 H new ATOM 0 HA ASP A 59 -20.066 -16.604 -2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.060 -18.625 -1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -22.146 -17.594 -0.968 1.00 0.00 H new ATOM 974 N THR A 60 -21.769 -14.743 -0.864 1.00 0.00 N ATOM 975 CA THR A 60 -22.530 -13.464 -0.769 1.00 0.00 C ATOM 976 C THR A 60 -21.661 -12.303 -1.260 1.00 0.00 C ATOM 977 O THR A 60 -22.134 -11.396 -1.918 1.00 0.00 O ATOM 978 CB THR A 60 -22.927 -13.226 0.691 1.00 0.00 C ATOM 979 OG1 THR A 60 -21.780 -13.368 1.518 1.00 0.00 O ATOM 980 CG2 THR A 60 -23.986 -14.245 1.112 1.00 0.00 C ATOM 0 H THR A 60 -21.594 -15.208 0.027 1.00 0.00 H new ATOM 0 HA THR A 60 -23.424 -13.525 -1.390 1.00 0.00 H new ATOM 0 HB THR A 60 -23.334 -12.220 0.796 1.00 0.00 H new ATOM 0 HG1 THR A 60 -22.030 -13.215 2.453 1.00 0.00 H new ATOM 0 HG21 THR A 60 -24.265 -14.071 2.151 1.00 0.00 H new ATOM 0 HG22 THR A 60 -24.866 -14.139 0.477 1.00 0.00 H new ATOM 0 HG23 THR A 60 -23.583 -15.252 1.008 1.00 0.00 H new ATOM 988 N LEU A 61 -20.397 -12.324 -0.939 1.00 0.00 N ATOM 989 CA LEU A 61 -19.490 -11.224 -1.380 1.00 0.00 C ATOM 990 C LEU A 61 -19.416 -11.202 -2.908 1.00 0.00 C ATOM 991 O LEU A 61 -19.431 -10.151 -3.522 1.00 0.00 O ATOM 992 CB LEU A 61 -18.091 -11.455 -0.785 1.00 0.00 C ATOM 993 CG LEU A 61 -18.025 -10.885 0.638 1.00 0.00 C ATOM 994 CD1 LEU A 61 -19.206 -11.405 1.472 1.00 0.00 C ATOM 995 CD2 LEU A 61 -16.706 -11.313 1.287 1.00 0.00 C ATOM 0 H LEU A 61 -19.951 -13.058 -0.388 1.00 0.00 H new ATOM 0 HA LEU A 61 -19.875 -10.265 -1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -17.865 -12.521 -0.769 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -17.337 -10.979 -1.412 1.00 0.00 H new ATOM 0 HG LEU A 61 -18.080 -9.797 0.595 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -19.149 -10.994 2.480 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -20.143 -11.097 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -19.166 -12.493 1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -16.651 -10.912 2.299 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -16.655 -12.401 1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -15.871 -10.931 0.700 1.00 0.00 H new ATOM 1007 N HIS A 62 -19.335 -12.347 -3.526 1.00 0.00 N ATOM 1008 CA HIS A 62 -19.258 -12.385 -5.012 1.00 0.00 C ATOM 1009 C HIS A 62 -20.497 -11.700 -5.587 1.00 0.00 C ATOM 1010 O HIS A 62 -20.409 -10.888 -6.490 1.00 0.00 O ATOM 1011 CB HIS A 62 -19.213 -13.843 -5.475 1.00 0.00 C ATOM 1012 CG HIS A 62 -17.884 -14.446 -5.111 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -17.699 -15.185 -3.954 1.00 0.00 N ATOM 1014 CD2 HIS A 62 -16.666 -14.427 -5.743 1.00 0.00 C ATOM 1015 CE1 HIS A 62 -16.412 -15.579 -3.925 1.00 0.00 C ATOM 1016 NE2 HIS A 62 -15.737 -15.144 -4.993 1.00 0.00 N ATOM 0 H HIS A 62 -19.319 -13.257 -3.066 1.00 0.00 H new ATOM 0 HA HIS A 62 -18.361 -11.870 -5.356 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -20.020 -14.408 -5.009 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -19.366 -13.898 -6.553 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -18.409 -15.393 -3.252 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -16.459 -13.931 -6.680 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -15.978 -16.174 -3.135 1.00 0.00 H new ATOM 1024 N LYS A 63 -21.648 -12.022 -5.067 1.00 0.00 N ATOM 1025 CA LYS A 63 -22.904 -11.397 -5.566 1.00 0.00 C ATOM 1026 C LYS A 63 -22.882 -9.898 -5.268 1.00 0.00 C ATOM 1027 O LYS A 63 -23.282 -9.086 -6.079 1.00 0.00 O ATOM 1028 CB LYS A 63 -24.099 -12.044 -4.864 1.00 0.00 C ATOM 1029 CG LYS A 63 -24.234 -13.498 -5.320 1.00 0.00 C ATOM 1030 CD LYS A 63 -25.410 -14.152 -4.593 1.00 0.00 C ATOM 1031 CE LYS A 63 -25.556 -15.602 -5.055 1.00 0.00 C ATOM 1032 NZ LYS A 63 -26.700 -16.238 -4.339 1.00 0.00 N ATOM 0 H LYS A 63 -21.773 -12.696 -4.312 1.00 0.00 H new ATOM 0 HA LYS A 63 -22.987 -11.547 -6.642 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -23.966 -12.002 -3.783 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -25.011 -11.493 -5.094 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -24.390 -13.539 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -23.314 -14.043 -5.110 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -25.249 -14.117 -3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -26.328 -13.601 -4.796 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -25.722 -15.637 -6.132 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -24.637 -16.153 -4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -26.800 -17.225 -4.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -26.523 -16.217 -3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -27.575 -15.717 -4.550 1.00 0.00 H new ATOM 1046 N SER A 64 -22.428 -9.531 -4.101 1.00 0.00 N ATOM 1047 CA SER A 64 -22.382 -8.088 -3.729 1.00 0.00 C ATOM 1048 C SER A 64 -21.111 -7.452 -4.290 1.00 0.00 C ATOM 1049 O SER A 64 -20.935 -6.249 -4.240 1.00 0.00 O ATOM 1050 CB SER A 64 -22.385 -7.966 -2.205 1.00 0.00 C ATOM 1051 OG SER A 64 -23.573 -8.555 -1.692 1.00 0.00 O ATOM 0 H SER A 64 -22.085 -10.172 -3.385 1.00 0.00 H new ATOM 0 HA SER A 64 -23.251 -7.575 -4.142 1.00 0.00 H new ATOM 0 HB2 SER A 64 -21.509 -8.462 -1.787 1.00 0.00 H new ATOM 0 HB3 SER A 64 -22.328 -6.918 -1.912 1.00 0.00 H new ATOM 0 HG SER A 64 -23.451 -9.524 -1.615 1.00 0.00 H new ATOM 1057 N ASN A 65 -20.225 -8.251 -4.820 1.00 0.00 N ATOM 1058 CA ASN A 65 -18.955 -7.708 -5.385 1.00 0.00 C ATOM 1059 C ASN A 65 -18.190 -6.946 -4.302 1.00 0.00 C ATOM 1060 O ASN A 65 -17.598 -5.915 -4.560 1.00 0.00 O ATOM 1061 CB ASN A 65 -19.259 -6.764 -6.553 1.00 0.00 C ATOM 1062 CG ASN A 65 -17.958 -6.433 -7.288 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -17.249 -5.519 -6.913 1.00 0.00 O ATOM 1064 ND2 ASN A 65 -17.609 -7.142 -8.327 1.00 0.00 N ATOM 0 H ASN A 65 -20.327 -9.264 -4.887 1.00 0.00 H new ATOM 0 HA ASN A 65 -18.347 -8.539 -5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -19.968 -7.230 -7.237 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -19.725 -5.850 -6.185 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -16.743 -6.929 -8.822 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.202 -7.909 -8.643 1.00 0.00 H new ATOM 1071 N ILE A 66 -18.187 -7.453 -3.091 1.00 0.00 N ATOM 1072 CA ILE A 66 -17.450 -6.774 -1.974 1.00 0.00 C ATOM 1073 C ILE A 66 -16.261 -7.644 -1.566 1.00 0.00 C ATOM 1074 O ILE A 66 -16.399 -8.830 -1.344 1.00 0.00 O ATOM 1075 CB ILE A 66 -18.386 -6.589 -0.775 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -19.572 -5.714 -1.195 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -17.625 -5.912 0.375 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -20.633 -5.712 -0.092 1.00 0.00 C ATOM 0 H ILE A 66 -18.666 -8.314 -2.826 1.00 0.00 H new ATOM 0 HA ILE A 66 -17.098 -5.797 -2.305 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.748 -7.561 -0.439 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -19.234 -4.696 -1.388 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -20.001 -6.089 -2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.293 -5.782 1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.780 -6.535 0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.261 -4.938 0.047 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -21.473 -5.088 -0.397 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -20.981 -6.731 0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -20.202 -5.316 0.827 1.00 0.00 H new ATOM 1090 N TYR A 67 -15.088 -7.064 -1.490 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.864 -7.846 -1.120 1.00 0.00 C ATOM 1092 C TYR A 67 -13.192 -7.225 0.113 1.00 0.00 C ATOM 1093 O TYR A 67 -12.300 -6.406 -0.010 1.00 0.00 O ATOM 1094 CB TYR A 67 -12.886 -7.808 -2.297 1.00 0.00 C ATOM 1095 CG TYR A 67 -13.618 -8.208 -3.559 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -13.987 -9.543 -3.758 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -13.932 -7.243 -4.525 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -14.671 -9.915 -4.921 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -14.614 -7.615 -5.688 1.00 0.00 C ATOM 1100 CZ TYR A 67 -14.984 -8.951 -5.887 1.00 0.00 C ATOM 1101 OH TYR A 67 -15.660 -9.316 -7.033 1.00 0.00 O ATOM 0 H TYR A 67 -14.924 -6.074 -1.670 1.00 0.00 H new ATOM 0 HA TYR A 67 -14.145 -8.874 -0.890 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.467 -6.808 -2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -12.052 -8.485 -2.115 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -13.744 -10.287 -3.014 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -13.648 -6.212 -4.372 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -14.957 -10.945 -5.073 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.855 -6.871 -6.433 1.00 0.00 H new ATOM 0 HH TYR A 67 -16.242 -10.081 -6.840 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.606 -7.619 1.296 1.00 0.00 N ATOM 1112 CA PRO A 68 -13.014 -7.101 2.567 1.00 0.00 C ATOM 1113 C PRO A 68 -11.534 -7.482 2.702 1.00 0.00 C ATOM 1114 O PRO A 68 -11.122 -8.547 2.290 1.00 0.00 O ATOM 1115 CB PRO A 68 -13.854 -7.764 3.679 1.00 0.00 C ATOM 1116 CG PRO A 68 -15.085 -8.283 3.001 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.682 -8.586 1.559 1.00 0.00 C ATOM 0 HA PRO A 68 -13.040 -6.012 2.611 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.301 -8.572 4.159 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.109 -7.046 4.458 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -15.455 -9.180 3.498 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.888 -7.546 3.034 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.336 -9.613 1.446 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.518 -8.454 0.872 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.739 -6.625 3.291 1.00 0.00 N ATOM 1126 CA PHE A 69 -9.292 -6.948 3.469 1.00 0.00 C ATOM 1127 C PHE A 69 -8.779 -6.304 4.757 1.00 0.00 C ATOM 1128 O PHE A 69 -9.266 -5.276 5.192 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.490 -6.422 2.275 1.00 0.00 C ATOM 1130 CG PHE A 69 -8.568 -4.915 2.220 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -9.614 -4.295 1.526 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -7.590 -4.137 2.852 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -9.683 -2.898 1.465 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -7.660 -2.740 2.792 1.00 0.00 C ATOM 1135 CZ PHE A 69 -8.706 -2.121 2.099 1.00 0.00 C ATOM 0 H PHE A 69 -11.029 -5.718 3.655 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.171 -8.029 3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.450 -6.737 2.359 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.879 -6.848 1.350 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.368 -4.895 1.038 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.782 -4.615 3.386 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -10.490 -2.420 0.929 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.907 -2.140 3.281 1.00 0.00 H new ATOM 0 HZ PHE A 69 -8.760 -1.043 2.053 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.790 -6.909 5.366 1.00 0.00 N ATOM 1146 CA ILE A 70 -7.213 -6.359 6.631 1.00 0.00 C ATOM 1147 C ILE A 70 -5.702 -6.222 6.476 1.00 0.00 C ATOM 1148 O ILE A 70 -5.027 -7.132 6.036 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.515 -7.309 7.791 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -9.031 -7.387 7.999 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -6.840 -6.787 9.064 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -9.360 -8.494 9.003 1.00 0.00 C ATOM 0 H ILE A 70 -7.353 -7.770 5.037 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.655 -5.384 6.836 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.131 -8.304 7.564 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.407 -6.431 8.362 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.528 -7.585 7.049 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.054 -7.462 9.892 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.762 -6.733 8.909 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -7.223 -5.794 9.298 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.439 -8.545 9.147 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -8.999 -9.449 8.622 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.876 -8.277 9.955 1.00 0.00 H new ATOM 1164 N LEU A 71 -5.168 -5.085 6.835 1.00 0.00 N ATOM 1165 CA LEU A 71 -3.695 -4.863 6.716 1.00 0.00 C ATOM 1166 C LEU A 71 -3.073 -4.881 8.112 1.00 0.00 C ATOM 1167 O LEU A 71 -3.498 -4.172 9.003 1.00 0.00 O ATOM 1168 CB LEU A 71 -3.448 -3.500 6.062 1.00 0.00 C ATOM 1169 CG LEU A 71 -4.204 -3.426 4.729 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -3.958 -2.063 4.077 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -3.720 -4.539 3.789 1.00 0.00 C ATOM 0 H LEU A 71 -5.692 -4.294 7.209 1.00 0.00 H new ATOM 0 HA LEU A 71 -3.246 -5.648 6.107 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.780 -2.701 6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.381 -3.353 5.895 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.270 -3.555 4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -4.495 -2.010 3.130 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.313 -1.273 4.740 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.891 -1.933 3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.262 -4.479 2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.653 -4.420 3.603 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.901 -5.510 4.251 1.00 0.00 H new ATOM 1183 N TYR A 72 -2.069 -5.693 8.309 1.00 0.00 N ATOM 1184 CA TYR A 72 -1.415 -5.767 9.647 1.00 0.00 C ATOM 1185 C TYR A 72 0.055 -6.133 9.475 1.00 0.00 C ATOM 1186 O TYR A 72 0.459 -6.661 8.457 1.00 0.00 O ATOM 1187 CB TYR A 72 -2.109 -6.828 10.500 1.00 0.00 C ATOM 1188 CG TYR A 72 -1.962 -8.179 9.848 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -2.882 -8.590 8.880 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -0.909 -9.023 10.216 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -2.752 -9.845 8.277 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -0.776 -10.279 9.612 1.00 0.00 C ATOM 1193 CZ TYR A 72 -1.698 -10.690 8.643 1.00 0.00 C ATOM 1194 OH TYR A 72 -1.569 -11.928 8.049 1.00 0.00 O ATOM 0 H TYR A 72 -1.673 -6.309 7.599 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.493 -4.799 10.142 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.674 -6.846 11.499 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.165 -6.582 10.616 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.695 -7.937 8.597 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.199 -8.706 10.966 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.464 -10.162 7.530 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.038 -10.930 9.894 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.784 -12.387 8.416 1.00 0.00 H new ATOM 1204 N TYR A 73 0.855 -5.846 10.469 1.00 0.00 N ATOM 1205 CA TYR A 73 2.313 -6.161 10.394 1.00 0.00 C ATOM 1206 C TYR A 73 2.668 -7.188 11.464 1.00 0.00 C ATOM 1207 O TYR A 73 1.942 -7.388 12.419 1.00 0.00 O ATOM 1208 CB TYR A 73 3.126 -4.885 10.621 1.00 0.00 C ATOM 1209 CG TYR A 73 4.572 -5.156 10.278 1.00 0.00 C ATOM 1210 CD1 TYR A 73 4.927 -5.452 8.956 1.00 0.00 C ATOM 1211 CD2 TYR A 73 5.557 -5.117 11.274 1.00 0.00 C ATOM 1212 CE1 TYR A 73 6.260 -5.711 8.629 1.00 0.00 C ATOM 1213 CE2 TYR A 73 6.893 -5.374 10.945 1.00 0.00 C ATOM 1214 CZ TYR A 73 7.245 -5.672 9.622 1.00 0.00 C ATOM 1215 OH TYR A 73 8.561 -5.932 9.298 1.00 0.00 O ATOM 0 H TYR A 73 0.557 -5.402 11.338 1.00 0.00 H new ATOM 0 HA TYR A 73 2.545 -6.567 9.409 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.738 -4.076 10.002 1.00 0.00 H new ATOM 0 HB3 TYR A 73 3.039 -4.563 11.659 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.168 -5.480 8.188 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.286 -4.889 12.294 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.531 -5.941 7.609 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.653 -5.343 11.712 1.00 0.00 H new ATOM 0 HH TYR A 73 9.142 -5.638 10.030 1.00 0.00 H new ATOM 1225 N GLN A 74 3.782 -7.844 11.303 1.00 0.00 N ATOM 1226 CA GLN A 74 4.207 -8.873 12.293 1.00 0.00 C ATOM 1227 C GLN A 74 4.384 -8.239 13.681 1.00 0.00 C ATOM 1228 O GLN A 74 4.923 -8.852 14.582 1.00 0.00 O ATOM 1229 CB GLN A 74 5.524 -9.507 11.833 1.00 0.00 C ATOM 1230 CG GLN A 74 6.517 -8.414 11.434 1.00 0.00 C ATOM 1231 CD GLN A 74 7.833 -9.059 10.993 1.00 0.00 C ATOM 1232 OE1 GLN A 74 7.881 -10.242 10.719 1.00 0.00 O ATOM 1233 NE2 GLN A 74 8.906 -8.325 10.909 1.00 0.00 N ATOM 0 H GLN A 74 4.423 -7.710 10.521 1.00 0.00 H new ATOM 0 HA GLN A 74 3.438 -9.642 12.361 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.943 -10.117 12.633 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.342 -10.171 10.988 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.105 -7.811 10.624 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.692 -7.742 12.274 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.864 -7.332 11.139 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.788 -8.743 10.613 1.00 0.00 H new ATOM 1242 N LYS A 75 3.927 -7.020 13.859 1.00 0.00 N ATOM 1243 CA LYS A 75 4.045 -6.335 15.185 1.00 0.00 C ATOM 1244 C LYS A 75 2.641 -6.023 15.711 1.00 0.00 C ATOM 1245 O LYS A 75 2.353 -6.195 16.880 1.00 0.00 O ATOM 1246 CB LYS A 75 4.825 -5.030 15.013 1.00 0.00 C ATOM 1247 CG LYS A 75 5.044 -4.382 16.379 1.00 0.00 C ATOM 1248 CD LYS A 75 5.879 -3.112 16.212 1.00 0.00 C ATOM 1249 CE LYS A 75 6.111 -2.474 17.581 1.00 0.00 C ATOM 1250 NZ LYS A 75 6.953 -1.254 17.426 1.00 0.00 N ATOM 0 H LYS A 75 3.473 -6.466 13.133 1.00 0.00 H new ATOM 0 HA LYS A 75 4.568 -6.980 15.890 1.00 0.00 H new ATOM 0 HB2 LYS A 75 5.784 -5.228 14.535 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.278 -4.350 14.360 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.085 -4.142 16.838 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.551 -5.078 17.047 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.834 -3.350 15.743 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.367 -2.411 15.554 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.157 -2.214 18.039 1.00 0.00 H new ATOM 0 HE3 LYS A 75 6.601 -3.185 18.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.111 -0.820 18.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.868 -1.515 17.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.469 -0.574 16.805 1.00 0.00 H new ATOM 1264 N GLN A 76 1.764 -5.571 14.852 1.00 0.00 N ATOM 1265 CA GLN A 76 0.375 -5.250 15.293 1.00 0.00 C ATOM 1266 C GLN A 76 -0.493 -4.899 14.080 1.00 0.00 C ATOM 1267 O GLN A 76 -0.054 -4.954 12.948 1.00 0.00 O ATOM 1268 CB GLN A 76 0.403 -4.063 16.257 1.00 0.00 C ATOM 1269 CG GLN A 76 1.065 -2.862 15.579 1.00 0.00 C ATOM 1270 CD GLN A 76 1.129 -1.696 16.565 1.00 0.00 C ATOM 1271 OE1 GLN A 76 0.835 -0.493 16.153 1.00 0.00 O flip ATOM 1272 NE2 GLN A 76 1.451 -1.880 17.722 1.00 0.00 N flip ATOM 0 H GLN A 76 1.951 -5.410 13.862 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.046 -6.120 15.796 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.611 -3.807 16.562 1.00 0.00 H new ATOM 0 HB3 GLN A 76 0.950 -4.330 17.161 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.068 -3.126 15.245 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.500 -2.573 14.693 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.681 -2.820 18.044 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.492 -1.094 18.371 1.00 0.00 H new ATOM 1281 N LEU A 77 -1.725 -4.538 14.321 1.00 0.00 N ATOM 1282 CA LEU A 77 -2.649 -4.179 13.205 1.00 0.00 C ATOM 1283 C LEU A 77 -2.176 -2.882 12.544 1.00 0.00 C ATOM 1284 O LEU A 77 -1.768 -1.947 13.205 1.00 0.00 O ATOM 1285 CB LEU A 77 -4.063 -3.977 13.761 1.00 0.00 C ATOM 1286 CG LEU A 77 -5.078 -3.845 12.605 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -5.555 -5.236 12.155 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -6.285 -3.027 13.076 1.00 0.00 C ATOM 0 H LEU A 77 -2.135 -4.476 15.253 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.655 -4.982 12.468 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.334 -4.819 14.398 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.092 -3.083 14.384 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.594 -3.344 11.767 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.270 -5.129 11.339 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.701 -5.821 11.814 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.033 -5.745 12.992 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.002 -2.934 12.260 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -6.758 -3.530 13.919 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -5.954 -2.035 13.384 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.233 -2.823 11.236 1.00 0.00 N ATOM 1301 CA ILE A 78 -1.794 -1.598 10.500 1.00 0.00 C ATOM 1302 C ILE A 78 -3.019 -0.810 10.029 1.00 0.00 C ATOM 1303 O ILE A 78 -3.131 0.375 10.268 1.00 0.00 O ATOM 1304 CB ILE A 78 -0.956 -2.023 9.282 1.00 0.00 C ATOM 1305 CG1 ILE A 78 0.378 -2.652 9.751 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.686 -0.810 8.381 1.00 0.00 C ATOM 1307 CD1 ILE A 78 1.431 -1.572 10.051 1.00 0.00 C ATOM 0 H ILE A 78 -2.569 -3.580 10.641 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.198 -0.967 11.159 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.511 -2.766 8.710 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.205 -3.252 10.644 1.00 0.00 H new ATOM 0 HG13 ILE A 78 0.755 -3.326 8.982 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -0.092 -1.120 7.521 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.633 -0.394 8.037 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.141 -0.053 8.944 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.356 -2.047 10.378 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.621 -0.989 9.150 1.00 0.00 H new ATOM 0 HD13 ILE A 78 1.063 -0.914 10.838 1.00 0.00 H new ATOM 1319 N ALA A 79 -3.936 -1.452 9.353 1.00 0.00 N ATOM 1320 CA ALA A 79 -5.138 -0.718 8.867 1.00 0.00 C ATOM 1321 C ALA A 79 -6.219 -1.708 8.426 1.00 0.00 C ATOM 1322 O ALA A 79 -5.943 -2.846 8.103 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.739 0.161 7.681 1.00 0.00 C ATOM 0 H ALA A 79 -3.904 -2.444 9.119 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.533 -0.101 9.674 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.613 0.702 7.319 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.976 0.873 7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.343 -0.465 6.881 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.450 -1.265 8.401 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.579 -2.147 7.970 1.00 0.00 C ATOM 1331 C ILE A 80 -9.418 -1.418 6.922 1.00 0.00 C ATOM 1332 O ILE A 80 -9.543 -0.210 6.942 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.452 -2.484 9.183 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -9.689 -1.214 10.012 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -8.753 -3.541 10.043 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -10.777 -1.473 11.063 1.00 0.00 C ATOM 0 H ILE A 80 -7.725 -0.319 8.664 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.183 -3.068 7.542 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.410 -2.876 8.842 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.763 -0.910 10.501 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.989 -0.394 9.360 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.376 -3.779 10.905 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -8.592 -4.443 9.452 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.793 -3.155 10.385 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -10.941 -0.568 11.648 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.704 -1.755 10.565 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.460 -2.280 11.724 1.00 0.00 H new ATOM 1348 N GLY A 81 -9.994 -2.145 6.005 1.00 0.00 N ATOM 1349 CA GLY A 81 -10.824 -1.489 4.956 1.00 0.00 C ATOM 1350 C GLY A 81 -11.465 -2.557 4.071 1.00 0.00 C ATOM 1351 O GLY A 81 -11.211 -3.736 4.219 1.00 0.00 O ATOM 0 H GLY A 81 -9.926 -3.160 5.936 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.596 -0.875 5.420 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.207 -0.824 4.352 1.00 0.00 H new ATOM 1355 N PHE A 82 -12.286 -2.150 3.141 1.00 0.00 N ATOM 1356 CA PHE A 82 -12.939 -3.138 2.233 1.00 0.00 C ATOM 1357 C PHE A 82 -13.263 -2.469 0.900 1.00 0.00 C ATOM 1358 O PHE A 82 -13.364 -1.261 0.812 1.00 0.00 O ATOM 1359 CB PHE A 82 -14.227 -3.668 2.876 1.00 0.00 C ATOM 1360 CG PHE A 82 -15.213 -2.545 3.082 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -15.150 -1.758 4.237 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -16.202 -2.300 2.121 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -16.074 -0.723 4.429 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -17.126 -1.269 2.314 1.00 0.00 C ATOM 1365 CZ PHE A 82 -17.063 -0.480 3.468 1.00 0.00 C ATOM 0 H PHE A 82 -12.533 -1.175 2.970 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.259 -3.973 2.062 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.669 -4.436 2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.997 -4.138 3.832 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -14.390 -1.948 4.980 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -16.251 -2.908 1.230 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -16.024 -0.112 5.318 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.888 -1.081 1.573 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.777 0.316 3.617 1.00 0.00 H new ATOM 1375 N ILE A 83 -13.422 -3.249 -0.140 1.00 0.00 N ATOM 1376 CA ILE A 83 -13.739 -2.669 -1.485 1.00 0.00 C ATOM 1377 C ILE A 83 -15.208 -2.931 -1.814 1.00 0.00 C ATOM 1378 O ILE A 83 -15.678 -4.047 -1.748 1.00 0.00 O ATOM 1379 CB ILE A 83 -12.847 -3.326 -2.538 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -11.383 -3.031 -2.204 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -13.186 -2.763 -3.919 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -10.469 -3.851 -3.115 1.00 0.00 C ATOM 0 H ILE A 83 -13.346 -4.266 -0.117 1.00 0.00 H new ATOM 0 HA ILE A 83 -13.558 -1.594 -1.478 1.00 0.00 H new ATOM 0 HB ILE A 83 -13.012 -4.403 -2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -11.179 -1.968 -2.330 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -11.183 -3.272 -1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -12.549 -3.232 -4.669 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -14.231 -2.969 -4.149 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -13.019 -1.686 -3.924 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -9.428 -3.637 -2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -10.665 -4.913 -2.967 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -10.661 -3.588 -4.155 1.00 0.00 H new ATOM 1394 N ASP A 84 -15.940 -1.903 -2.159 1.00 0.00 N ATOM 1395 CA ASP A 84 -17.390 -2.077 -2.483 1.00 0.00 C ATOM 1396 C ASP A 84 -17.573 -2.300 -3.986 1.00 0.00 C ATOM 1397 O ASP A 84 -16.621 -2.349 -4.741 1.00 0.00 O ATOM 1398 CB ASP A 84 -18.158 -0.824 -2.057 1.00 0.00 C ATOM 1399 CG ASP A 84 -17.638 0.395 -2.826 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -16.923 0.204 -3.795 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -17.967 1.502 -2.433 1.00 0.00 O ATOM 0 H ASP A 84 -15.595 -0.946 -2.231 1.00 0.00 H new ATOM 0 HA ASP A 84 -17.773 -2.946 -1.947 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -19.223 -0.958 -2.248 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -18.044 -0.664 -0.985 1.00 0.00 H new ATOM 1406 N GLU A 85 -18.797 -2.438 -4.418 1.00 0.00 N ATOM 1407 CA GLU A 85 -19.067 -2.663 -5.866 1.00 0.00 C ATOM 1408 C GLU A 85 -18.662 -1.422 -6.664 1.00 0.00 C ATOM 1409 O GLU A 85 -18.403 -1.492 -7.850 1.00 0.00 O ATOM 1410 CB GLU A 85 -20.561 -2.945 -6.062 1.00 0.00 C ATOM 1411 CG GLU A 85 -21.384 -1.749 -5.577 1.00 0.00 C ATOM 1412 CD GLU A 85 -22.872 -2.059 -5.732 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -23.232 -2.658 -6.734 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -23.630 -1.692 -4.850 1.00 0.00 O ATOM 0 H GLU A 85 -19.627 -2.404 -3.826 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.488 -3.516 -6.219 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -20.769 -3.138 -7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -20.846 -3.841 -5.511 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -21.153 -1.534 -4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -21.125 -0.859 -6.151 1.00 0.00 H new ATOM 1421 N ASN A 86 -18.606 -0.284 -6.023 1.00 0.00 N ATOM 1422 CA ASN A 86 -18.217 0.968 -6.739 1.00 0.00 C ATOM 1423 C ASN A 86 -16.699 1.144 -6.652 1.00 0.00 C ATOM 1424 O ASN A 86 -16.164 2.170 -7.017 1.00 0.00 O ATOM 1425 CB ASN A 86 -18.913 2.167 -6.091 1.00 0.00 C ATOM 1426 CG ASN A 86 -20.417 2.084 -6.358 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -20.837 1.594 -7.387 1.00 0.00 O ATOM 1428 ND2 ASN A 86 -21.252 2.544 -5.466 1.00 0.00 N ATOM 0 H ASN A 86 -18.814 -0.167 -5.031 1.00 0.00 H new ATOM 0 HA ASN A 86 -18.518 0.902 -7.784 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -18.723 2.176 -5.018 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -18.511 3.097 -6.494 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -22.257 2.492 -5.633 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -20.900 2.956 -4.602 1.00 0.00 H new ATOM 1435 N HIS A 87 -16.013 0.135 -6.174 1.00 0.00 N ATOM 1436 CA HIS A 87 -14.527 0.190 -6.057 1.00 0.00 C ATOM 1437 C HIS A 87 -14.122 1.153 -4.939 1.00 0.00 C ATOM 1438 O HIS A 87 -14.767 1.240 -3.912 1.00 0.00 O ATOM 1439 CB HIS A 87 -13.912 0.657 -7.388 1.00 0.00 C ATOM 1440 CG HIS A 87 -12.471 0.227 -7.461 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -11.296 0.936 -7.404 1.00 0.00 N flip ATOM 1442 CD2 HIS A 87 -12.105 -1.101 -7.616 1.00 0.00 C flip ATOM 1443 CE1 HIS A 87 -10.217 0.065 -7.520 1.00 0.00 C flip ATOM 1444 NE2 HIS A 87 -10.760 -1.150 -7.645 1.00 0.00 N flip ATOM 0 H HIS A 87 -16.430 -0.739 -5.855 1.00 0.00 H new ATOM 0 HA HIS A 87 -14.157 -0.808 -5.820 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -14.470 0.236 -8.225 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -13.982 1.742 -7.471 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -12.776 -1.943 -7.698 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -9.167 0.317 -7.511 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -10.221 -2.010 -7.750 1.00 0.00 H new ATOM 1452 N ASP A 88 -13.047 1.864 -5.149 1.00 0.00 N ATOM 1453 CA ASP A 88 -12.544 2.836 -4.133 1.00 0.00 C ATOM 1454 C ASP A 88 -12.246 2.116 -2.816 1.00 0.00 C ATOM 1455 O ASP A 88 -13.033 1.329 -2.328 1.00 0.00 O ATOM 1456 CB ASP A 88 -13.580 3.937 -3.902 1.00 0.00 C ATOM 1457 CG ASP A 88 -13.021 4.960 -2.912 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -12.029 5.589 -3.238 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -13.594 5.094 -1.844 1.00 0.00 O ATOM 0 H ASP A 88 -12.485 1.811 -5.998 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.624 3.287 -4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -13.826 4.424 -4.846 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.504 3.507 -3.515 1.00 0.00 H new ATOM 1464 N MET A 89 -11.102 2.381 -2.243 1.00 0.00 N ATOM 1465 CA MET A 89 -10.727 1.716 -0.964 1.00 0.00 C ATOM 1466 C MET A 89 -11.411 2.424 0.206 1.00 0.00 C ATOM 1467 O MET A 89 -11.301 3.624 0.373 1.00 0.00 O ATOM 1468 CB MET A 89 -9.208 1.801 -0.788 1.00 0.00 C ATOM 1469 CG MET A 89 -8.514 1.017 -1.906 1.00 0.00 C ATOM 1470 SD MET A 89 -8.889 -0.744 -1.736 1.00 0.00 S ATOM 1471 CE MET A 89 -7.461 -1.181 -0.712 1.00 0.00 C ATOM 0 H MET A 89 -10.409 3.033 -2.609 1.00 0.00 H new ATOM 0 HA MET A 89 -11.043 0.673 -0.987 1.00 0.00 H new ATOM 0 HB2 MET A 89 -8.888 2.843 -0.808 1.00 0.00 H new ATOM 0 HB3 MET A 89 -8.922 1.398 0.184 1.00 0.00 H new ATOM 0 HG2 MET A 89 -8.848 1.378 -2.879 1.00 0.00 H new ATOM 0 HG3 MET A 89 -7.437 1.176 -1.860 1.00 0.00 H new ATOM 0 HE1 MET A 89 -7.546 -2.220 -0.393 1.00 0.00 H new ATOM 0 HE2 MET A 89 -6.546 -1.052 -1.290 1.00 0.00 H new ATOM 0 HE3 MET A 89 -7.430 -0.534 0.165 1.00 0.00 H new ATOM 1481 N ASP A 90 -12.110 1.682 1.024 1.00 0.00 N ATOM 1482 CA ASP A 90 -12.807 2.285 2.201 1.00 0.00 C ATOM 1483 C ASP A 90 -11.972 2.042 3.459 1.00 0.00 C ATOM 1484 O ASP A 90 -11.842 0.925 3.923 1.00 0.00 O ATOM 1485 CB ASP A 90 -14.179 1.626 2.363 1.00 0.00 C ATOM 1486 CG ASP A 90 -15.024 2.427 3.355 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -14.697 3.580 3.588 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -15.984 1.874 3.867 1.00 0.00 O ATOM 0 H ASP A 90 -12.230 0.674 0.927 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.932 3.357 2.049 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -14.684 1.575 1.399 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -14.061 0.601 2.716 1.00 0.00 H new ATOM 1493 N PHE A 91 -11.398 3.083 4.008 1.00 0.00 N ATOM 1494 CA PHE A 91 -10.557 2.931 5.237 1.00 0.00 C ATOM 1495 C PHE A 91 -11.356 3.360 6.467 1.00 0.00 C ATOM 1496 O PHE A 91 -11.864 4.462 6.538 1.00 0.00 O ATOM 1497 CB PHE A 91 -9.316 3.815 5.104 1.00 0.00 C ATOM 1498 CG PHE A 91 -8.550 3.407 3.867 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -7.826 2.209 3.859 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -8.569 4.221 2.728 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.119 1.825 2.714 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -7.861 3.837 1.583 1.00 0.00 C ATOM 1503 CZ PHE A 91 -7.137 2.639 1.576 1.00 0.00 C ATOM 0 H PHE A 91 -11.476 4.037 3.656 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.260 1.888 5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.606 4.864 5.038 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.686 3.714 5.987 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.813 1.581 4.737 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.129 5.144 2.733 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.560 0.901 2.709 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -7.873 4.465 0.705 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.592 2.343 0.692 1.00 0.00 H new ATOM 1513 N LEU A 92 -11.467 2.492 7.439 1.00 0.00 N ATOM 1514 CA LEU A 92 -12.231 2.835 8.679 1.00 0.00 C ATOM 1515 C LEU A 92 -11.248 3.194 9.791 1.00 0.00 C ATOM 1516 O LEU A 92 -11.573 3.918 10.713 1.00 0.00 O ATOM 1517 CB LEU A 92 -13.056 1.621 9.105 1.00 0.00 C ATOM 1518 CG LEU A 92 -13.989 1.203 7.963 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -14.764 -0.048 8.381 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -14.974 2.341 7.641 1.00 0.00 C ATOM 0 H LEU A 92 -11.060 1.557 7.429 1.00 0.00 H new ATOM 0 HA LEU A 92 -12.891 3.681 8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -12.396 0.795 9.369 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -13.639 1.859 9.995 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.397 0.989 7.073 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -15.430 -0.351 7.573 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -14.064 -0.855 8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -15.352 0.169 9.273 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -15.632 2.034 6.828 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -15.570 2.567 8.525 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -14.418 3.229 7.341 1.00 0.00 H new ATOM 1532 N TYR A 93 -10.044 2.702 9.702 1.00 0.00 N ATOM 1533 CA TYR A 93 -9.021 3.015 10.736 1.00 0.00 C ATOM 1534 C TYR A 93 -7.629 2.801 10.140 1.00 0.00 C ATOM 1535 O TYR A 93 -7.276 1.705 9.745 1.00 0.00 O ATOM 1536 CB TYR A 93 -9.220 2.093 11.943 1.00 0.00 C ATOM 1537 CG TYR A 93 -8.077 2.270 12.917 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -7.958 3.458 13.650 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -7.135 1.247 13.088 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -6.900 3.621 14.551 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -6.077 1.410 13.990 1.00 0.00 C ATOM 1542 CZ TYR A 93 -5.959 2.598 14.721 1.00 0.00 C ATOM 1543 OH TYR A 93 -4.915 2.760 15.608 1.00 0.00 O ATOM 0 H TYR A 93 -9.723 2.091 8.951 1.00 0.00 H new ATOM 0 HA TYR A 93 -9.122 4.051 11.059 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.166 2.320 12.434 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.272 1.055 11.615 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -8.683 4.248 13.520 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.225 0.331 12.523 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.809 4.537 15.116 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.352 0.620 14.122 1.00 0.00 H new ATOM 0 HH TYR A 93 -4.355 1.956 15.605 1.00 0.00 H new ATOM 1553 N LEU A 94 -6.837 3.842 10.077 1.00 0.00 N ATOM 1554 CA LEU A 94 -5.456 3.726 9.511 1.00 0.00 C ATOM 1555 C LEU A 94 -4.434 3.908 10.628 1.00 0.00 C ATOM 1556 O LEU A 94 -4.455 4.886 11.350 1.00 0.00 O ATOM 1557 CB LEU A 94 -5.247 4.808 8.442 1.00 0.00 C ATOM 1558 CG LEU A 94 -3.788 4.801 7.954 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -3.393 3.396 7.475 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -3.647 5.793 6.796 1.00 0.00 C ATOM 0 H LEU A 94 -7.090 4.777 10.397 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.329 2.742 9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.919 4.634 7.602 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.496 5.787 8.852 1.00 0.00 H new ATOM 0 HG LEU A 94 -3.132 5.088 8.776 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.358 3.406 7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.496 2.689 8.298 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.044 3.095 6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.616 5.796 6.443 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.309 5.498 5.982 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.916 6.792 7.138 1.00 0.00 H new ATOM 1572 N HIS A 95 -3.527 2.976 10.757 1.00 0.00 N ATOM 1573 CA HIS A 95 -2.470 3.073 11.807 1.00 0.00 C ATOM 1574 C HIS A 95 -1.112 2.795 11.168 1.00 0.00 C ATOM 1575 O HIS A 95 -0.832 1.698 10.730 1.00 0.00 O ATOM 1576 CB HIS A 95 -2.741 2.054 12.912 1.00 0.00 C ATOM 1577 CG HIS A 95 -1.676 2.173 13.967 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -0.517 2.909 13.768 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -1.576 1.652 15.233 1.00 0.00 C ATOM 1580 CE1 HIS A 95 0.225 2.808 14.885 1.00 0.00 C ATOM 1581 NE2 HIS A 95 -0.374 2.054 15.812 1.00 0.00 N ATOM 0 H HIS A 95 -3.473 2.142 10.173 1.00 0.00 H new ATOM 0 HA HIS A 95 -2.475 4.072 12.242 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -3.724 2.227 13.350 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.749 1.045 12.499 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -2.316 1.026 15.708 1.00 0.00 H new ATOM 0 HE1 HIS A 95 1.188 3.279 15.017 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.026 1.823 16.743 1.00 0.00 H new ATOM 1589 N ASN A 96 -0.268 3.789 11.108 1.00 0.00 N ATOM 1590 CA ASN A 96 1.076 3.600 10.492 1.00 0.00 C ATOM 1591 C ASN A 96 2.083 3.220 11.579 1.00 0.00 C ATOM 1592 O ASN A 96 1.977 3.639 12.716 1.00 0.00 O ATOM 1593 CB ASN A 96 1.512 4.905 9.823 1.00 0.00 C ATOM 1594 CG ASN A 96 0.451 5.333 8.805 1.00 0.00 C ATOM 1595 OD1 ASN A 96 -0.442 4.574 8.485 1.00 0.00 O ATOM 1596 ND2 ASN A 96 0.515 6.525 8.277 1.00 0.00 N ATOM 0 H ASN A 96 -0.453 4.728 11.461 1.00 0.00 H new ATOM 0 HA ASN A 96 1.031 2.806 9.747 1.00 0.00 H new ATOM 0 HB2 ASN A 96 1.647 5.684 10.573 1.00 0.00 H new ATOM 0 HB3 ASN A 96 2.473 4.769 9.328 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.185 6.819 7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.265 7.162 8.546 1.00 0.00 H new ATOM 1603 N THR A 97 3.056 2.424 11.235 1.00 0.00 N ATOM 1604 CA THR A 97 4.077 1.999 12.234 1.00 0.00 C ATOM 1605 C THR A 97 4.618 3.222 12.975 1.00 0.00 C ATOM 1606 O THR A 97 5.257 3.101 14.003 1.00 0.00 O ATOM 1607 CB THR A 97 5.220 1.291 11.505 1.00 0.00 C ATOM 1608 OG1 THR A 97 5.618 2.071 10.385 1.00 0.00 O ATOM 1609 CG2 THR A 97 4.745 -0.082 11.029 1.00 0.00 C ATOM 0 H THR A 97 3.189 2.046 10.297 1.00 0.00 H new ATOM 0 HA THR A 97 3.623 1.320 12.956 1.00 0.00 H new ATOM 0 HB THR A 97 6.066 1.168 12.182 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.352 1.621 9.917 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.558 -0.588 10.509 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.437 -0.678 11.888 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.901 0.040 10.350 1.00 0.00 H new ATOM 1617 N VAL A 98 4.372 4.399 12.457 1.00 0.00 N ATOM 1618 CA VAL A 98 4.870 5.649 13.119 1.00 0.00 C ATOM 1619 C VAL A 98 3.717 6.339 13.858 1.00 0.00 C ATOM 1620 O VAL A 98 3.825 6.651 15.028 1.00 0.00 O ATOM 1621 CB VAL A 98 5.463 6.594 12.061 1.00 0.00 C ATOM 1622 CG1 VAL A 98 4.455 6.843 10.935 1.00 0.00 C ATOM 1623 CG2 VAL A 98 5.824 7.929 12.719 1.00 0.00 C ATOM 0 H VAL A 98 3.844 4.551 11.598 1.00 0.00 H new ATOM 0 HA VAL A 98 5.647 5.392 13.839 1.00 0.00 H new ATOM 0 HB VAL A 98 6.355 6.131 11.639 1.00 0.00 H new ATOM 0 HG11 VAL A 98 4.893 7.514 10.196 1.00 0.00 H new ATOM 0 HG12 VAL A 98 4.200 5.896 10.459 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.554 7.296 11.347 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.245 8.601 11.971 1.00 0.00 H new ATOM 0 HG22 VAL A 98 4.928 8.378 13.147 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.557 7.759 13.508 1.00 0.00 H new ATOM 1633 N MET A 99 2.615 6.572 13.192 1.00 0.00 N ATOM 1634 CA MET A 99 1.462 7.237 13.866 1.00 0.00 C ATOM 1635 C MET A 99 0.236 7.212 12.935 1.00 0.00 C ATOM 1636 O MET A 99 0.371 7.312 11.731 1.00 0.00 O ATOM 1637 CB MET A 99 1.829 8.692 14.201 1.00 0.00 C ATOM 1638 CG MET A 99 1.841 9.561 12.926 1.00 0.00 C ATOM 1639 SD MET A 99 0.231 10.360 12.714 1.00 0.00 S ATOM 1640 CE MET A 99 0.789 11.711 11.646 1.00 0.00 C ATOM 0 H MET A 99 2.465 6.331 12.212 1.00 0.00 H new ATOM 0 HA MET A 99 1.226 6.705 14.787 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.113 9.097 14.916 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.809 8.724 14.678 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.625 10.315 12.996 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.069 8.944 12.057 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.060 12.344 11.386 1.00 0.00 H new ATOM 0 HE2 MET A 99 1.537 12.305 12.171 1.00 0.00 H new ATOM 0 HE3 MET A 99 1.226 11.299 10.737 1.00 0.00 H new ATOM 1650 N PRO A 100 -0.952 7.086 13.484 1.00 0.00 N ATOM 1651 CA PRO A 100 -2.210 7.056 12.675 1.00 0.00 C ATOM 1652 C PRO A 100 -2.545 8.416 12.054 1.00 0.00 C ATOM 1653 O PRO A 100 -2.309 9.453 12.639 1.00 0.00 O ATOM 1654 CB PRO A 100 -3.284 6.637 13.694 1.00 0.00 C ATOM 1655 CG PRO A 100 -2.755 7.103 15.012 1.00 0.00 C ATOM 1656 CD PRO A 100 -1.235 6.962 14.926 1.00 0.00 C ATOM 0 HA PRO A 100 -2.129 6.379 11.825 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.246 7.097 13.468 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.437 5.558 13.687 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -3.041 8.137 15.204 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -3.157 6.504 15.829 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.728 7.737 15.501 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.899 6.002 15.319 1.00 0.00 H new ATOM 1664 N LEU A 101 -3.105 8.408 10.870 1.00 0.00 N ATOM 1665 CA LEU A 101 -3.473 9.689 10.198 1.00 0.00 C ATOM 1666 C LEU A 101 -4.946 9.998 10.473 1.00 0.00 C ATOM 1667 O LEU A 101 -5.287 11.068 10.939 1.00 0.00 O ATOM 1668 CB LEU A 101 -3.268 9.548 8.687 1.00 0.00 C ATOM 1669 CG LEU A 101 -1.849 9.046 8.398 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -1.672 8.872 6.886 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -0.818 10.056 8.926 1.00 0.00 C ATOM 0 H LEU A 101 -3.323 7.565 10.339 1.00 0.00 H new ATOM 0 HA LEU A 101 -2.846 10.494 10.582 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.000 8.853 8.275 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -3.430 10.509 8.198 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.696 8.089 8.897 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -0.664 8.515 6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.398 8.148 6.516 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -1.829 9.829 6.389 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.188 9.692 8.717 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.966 11.017 8.434 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.944 10.176 10.002 1.00 0.00 H new ATOM 1683 N LEU A 102 -5.818 9.064 10.180 1.00 0.00 N ATOM 1684 CA LEU A 102 -7.283 9.278 10.408 1.00 0.00 C ATOM 1685 C LEU A 102 -7.831 8.180 11.318 1.00 0.00 C ATOM 1686 O LEU A 102 -7.544 7.010 11.147 1.00 0.00 O ATOM 1687 CB LEU A 102 -8.012 9.230 9.064 1.00 0.00 C ATOM 1688 CG LEU A 102 -7.440 10.300 8.127 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -8.131 10.199 6.763 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -7.674 11.700 8.723 1.00 0.00 C ATOM 0 H LEU A 102 -5.576 8.154 9.789 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.438 10.248 10.881 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -7.902 8.243 8.615 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.079 9.395 9.212 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.368 10.140 8.008 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.727 10.958 6.093 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -7.956 9.210 6.339 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.203 10.356 6.885 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.265 12.454 8.051 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.744 11.868 8.849 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.180 11.770 9.692 1.00 0.00 H new ATOM 1702 N ASP A 103 -8.626 8.553 12.283 1.00 0.00 N ATOM 1703 CA ASP A 103 -9.216 7.551 13.217 1.00 0.00 C ATOM 1704 C ASP A 103 -10.597 8.034 13.664 1.00 0.00 C ATOM 1705 O ASP A 103 -10.729 8.736 14.648 1.00 0.00 O ATOM 1706 CB ASP A 103 -8.306 7.400 14.438 1.00 0.00 C ATOM 1707 CG ASP A 103 -8.890 6.353 15.387 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -10.002 5.915 15.142 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -8.215 6.006 16.343 1.00 0.00 O ATOM 0 H ASP A 103 -8.895 9.520 12.466 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.311 6.588 12.715 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -7.305 7.103 14.124 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -8.208 8.356 14.952 1.00 0.00 H new ATOM 1714 N GLN A 104 -11.628 7.663 12.941 1.00 0.00 N ATOM 1715 CA GLN A 104 -13.017 8.093 13.308 1.00 0.00 C ATOM 1716 C GLN A 104 -13.824 6.883 13.782 1.00 0.00 C ATOM 1717 O GLN A 104 -14.085 5.959 13.035 1.00 0.00 O ATOM 1718 CB GLN A 104 -13.694 8.710 12.080 1.00 0.00 C ATOM 1719 CG GLN A 104 -13.003 10.029 11.716 1.00 0.00 C ATOM 1720 CD GLN A 104 -13.220 11.052 12.833 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -14.342 11.367 13.176 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -12.184 11.586 13.422 1.00 0.00 N ATOM 0 H GLN A 104 -11.567 7.078 12.108 1.00 0.00 H new ATOM 0 HA GLN A 104 -12.970 8.829 14.111 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.644 8.018 11.239 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.750 8.886 12.285 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -11.936 9.862 11.565 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -13.402 10.412 10.777 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -11.242 11.322 13.135 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -12.317 12.267 14.170 1.00 0.00 H new ATOM 1731 N ARG A 105 -14.220 6.893 15.023 1.00 0.00 N ATOM 1732 CA ARG A 105 -15.015 5.761 15.575 1.00 0.00 C ATOM 1733 C ARG A 105 -16.384 5.713 14.897 1.00 0.00 C ATOM 1734 O ARG A 105 -16.948 4.656 14.686 1.00 0.00 O ATOM 1735 CB ARG A 105 -15.198 5.955 17.084 1.00 0.00 C ATOM 1736 CG ARG A 105 -13.849 5.805 17.789 1.00 0.00 C ATOM 1737 CD ARG A 105 -14.021 6.083 19.283 1.00 0.00 C ATOM 1738 NE ARG A 105 -14.935 5.062 19.877 1.00 0.00 N ATOM 1739 CZ ARG A 105 -14.460 3.921 20.308 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -13.184 3.663 20.221 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -15.269 3.036 20.828 1.00 0.00 N ATOM 0 H ARG A 105 -14.025 7.644 15.685 1.00 0.00 H new ATOM 0 HA ARG A 105 -14.488 4.825 15.388 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -15.617 6.941 17.286 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -15.906 5.222 17.472 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -13.458 4.799 17.638 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.124 6.497 17.361 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.053 6.055 19.783 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -14.428 7.083 19.433 1.00 0.00 H new ATOM 0 HE ARG A 105 -15.934 5.255 19.947 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -12.551 4.352 19.815 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -12.820 2.772 20.559 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -16.267 3.236 20.897 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -14.902 2.146 21.165 1.00 0.00 H new ATOM 1755 N TYR A 106 -16.934 6.854 14.579 1.00 0.00 N ATOM 1756 CA TYR A 106 -18.280 6.888 13.942 1.00 0.00 C ATOM 1757 C TYR A 106 -18.274 6.009 12.690 1.00 0.00 C ATOM 1758 O TYR A 106 -19.139 5.178 12.500 1.00 0.00 O ATOM 1759 CB TYR A 106 -18.605 8.328 13.540 1.00 0.00 C ATOM 1760 CG TYR A 106 -18.283 9.257 14.686 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -19.200 9.437 15.729 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -17.063 9.944 14.701 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -18.894 10.304 16.787 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -16.758 10.810 15.757 1.00 0.00 C ATOM 1765 CZ TYR A 106 -17.674 10.990 16.801 1.00 0.00 C ATOM 1766 OH TYR A 106 -17.373 11.846 17.841 1.00 0.00 O ATOM 0 H TYR A 106 -16.506 7.767 14.734 1.00 0.00 H new ATOM 0 HA TYR A 106 -19.027 6.519 14.644 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -18.030 8.609 12.658 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.659 8.413 13.274 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.142 8.908 15.718 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -16.356 9.805 13.896 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -19.600 10.443 17.592 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -15.817 11.339 15.767 1.00 0.00 H new ATOM 0 HH TYR A 106 -16.487 12.239 17.695 1.00 0.00 H new ATOM 1776 N LEU A 107 -17.305 6.192 11.837 1.00 0.00 N ATOM 1777 CA LEU A 107 -17.236 5.373 10.596 1.00 0.00 C ATOM 1778 C LEU A 107 -16.983 3.908 10.965 1.00 0.00 C ATOM 1779 O LEU A 107 -17.535 3.002 10.369 1.00 0.00 O ATOM 1780 CB LEU A 107 -16.095 5.896 9.709 1.00 0.00 C ATOM 1781 CG LEU A 107 -16.573 7.121 8.924 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -17.072 8.192 9.897 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -15.410 7.684 8.105 1.00 0.00 C ATOM 0 H LEU A 107 -16.556 6.876 11.947 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.178 5.445 10.052 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -15.234 6.159 10.324 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -15.769 5.116 9.021 1.00 0.00 H new ATOM 0 HG LEU A 107 -17.385 6.830 8.257 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.412 9.063 9.336 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -17.899 7.793 10.484 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -16.261 8.484 10.564 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -15.748 8.556 7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -14.600 7.974 8.775 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -15.052 6.924 7.411 1.00 0.00 H new ATOM 1795 N LEU A 108 -16.131 3.671 11.927 1.00 0.00 N ATOM 1796 CA LEU A 108 -15.812 2.269 12.324 1.00 0.00 C ATOM 1797 C LEU A 108 -17.080 1.578 12.841 1.00 0.00 C ATOM 1798 O LEU A 108 -17.377 0.453 12.487 1.00 0.00 O ATOM 1799 CB LEU A 108 -14.746 2.306 13.432 1.00 0.00 C ATOM 1800 CG LEU A 108 -13.953 0.994 13.460 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -12.849 1.103 14.514 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -14.880 -0.187 13.795 1.00 0.00 C ATOM 0 H LEU A 108 -15.640 4.391 12.457 1.00 0.00 H new ATOM 0 HA LEU A 108 -15.435 1.712 11.466 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.069 3.143 13.265 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.223 2.470 14.398 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.513 0.818 12.478 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.279 0.174 14.541 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.184 1.929 14.261 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.296 1.284 15.492 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -14.301 -1.111 13.811 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -15.335 -0.027 14.773 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -15.662 -0.262 13.039 1.00 0.00 H new