USER MOD reduce.3.24.130724 H: found=0, std=0, add=1050, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 1054 hydrogens (16 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 79 HIS : no HD1:sc= -4.48! C(o=-5.9!,f=-7!) USER MOD Set 1.2: A 81 THR OG1 : rot -130:sc= -1.37 USER MOD Set 2.1: A 21 THR OG1 : rot -14:sc= 1.08 USER MOD Set 2.2: A 100 GLN :FLIP amide:sc= 0.818 F(o=0.11,f=1.9) USER MOD Single : A 1 MET CE :methyl -172:sc= 0 (180deg=-0.0666) USER MOD Single : A 1 MET N :NH3+ 152:sc= -0.234 (180deg=-0.888) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 13 ASN : amide:sc= -11.1! C(o=-11!,f=-25!) USER MOD Single : A 15 ASN : amide:sc= -0.722 X(o=-0.72,f=-0.81) USER MOD Single : A 16 ASN : amide:sc= -0.288 K(o=-0.29,f=-1.9!) USER MOD Single : A 28 HIS : no HD1:sc= -0.0682 X(o=-0.068,f=-0.2) USER MOD Single : A 29 MET CE :methyl 146:sc= -1.88 (180deg=-3.56!) USER MOD Single : A 31 ASN : amide:sc= -0.336 K(o=-0.34,f=-1.1) USER MOD Single : A 32 LYS NZ :NH3+ 166:sc= -0.0186 (180deg=-0.185) USER MOD Single : A 39 LYS NZ :NH3+ 159:sc= -1.91 (180deg=-3.1!) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 48 GLN : amide:sc= -4.08 K(o=-4.1,f=-5.5!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.0139 USER MOD Single : A 63 GLN : amide:sc= -1.7 X(o=-1.7,f=-2.2) USER MOD Single : A 64 HIS : no HD1:sc= -20.6! C(o=-21!,f=-25!) USER MOD Single : A 66 SER OG : rot 4:sc= -1.32 USER MOD Single : A 70 LYS NZ :NH3+ -131:sc= 1.52 (180deg=-0.903) USER MOD Single : A 73 TYR OH : rot 180:sc= -0.199 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0.124 USER MOD Single : A 111 ASN : amide:sc=-0.00361 X(o=-0.0036,f=0) USER MOD Single : A 119 ASN : amide:sc= -0.357 K(o=-0.36,f=-2.9!) USER MOD Single : A 125 LYS NZ :NH3+ 164:sc= 0.476 (180deg=0.128) USER MOD Single : A 127 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.183) USER MOD Single : A 131 8OG O3' : rot -67:sc= -0.0353! USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -24.875 -6.681 -2.329 1.00 0.00 N ATOM 2 CA MET A 1 -23.553 -7.356 -2.241 1.00 0.00 C ATOM 3 C MET A 1 -22.441 -6.460 -2.777 1.00 0.00 C ATOM 4 O MET A 1 -22.251 -6.348 -3.989 1.00 0.00 O ATOM 5 CB MET A 1 -23.615 -8.659 -3.041 1.00 0.00 C ATOM 6 CG MET A 1 -23.930 -8.454 -4.513 1.00 0.00 C ATOM 7 SD MET A 1 -24.615 -9.931 -5.289 1.00 0.00 S ATOM 8 CE MET A 1 -23.278 -11.095 -5.040 1.00 0.00 C ATOM 0 H1 MET A 1 -25.624 -7.396 -2.425 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.038 -6.122 -1.467 1.00 0.00 H new ATOM 0 H3 MET A 1 -24.889 -6.052 -3.157 1.00 0.00 H new ATOM 0 HA MET A 1 -23.328 -7.569 -1.196 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.660 -9.177 -2.951 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.372 -9.309 -2.603 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.638 -7.632 -4.618 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.021 -8.161 -5.038 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.489 -12.014 -5.588 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.346 -10.662 -5.403 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.184 -11.319 -3.977 1.00 0.00 H new ATOM 20 N LYS A 2 -21.710 -5.825 -1.869 1.00 0.00 N ATOM 21 CA LYS A 2 -20.617 -4.938 -2.251 1.00 0.00 C ATOM 22 C LYS A 2 -19.266 -5.572 -1.933 1.00 0.00 C ATOM 23 O LYS A 2 -19.066 -6.121 -0.849 1.00 0.00 O ATOM 24 CB LYS A 2 -20.744 -3.595 -1.530 1.00 0.00 C ATOM 25 CG LYS A 2 -20.134 -2.433 -2.297 1.00 0.00 C ATOM 26 CD LYS A 2 -20.934 -1.155 -2.103 1.00 0.00 C ATOM 27 CE LYS A 2 -20.509 -0.076 -3.085 1.00 0.00 C ATOM 28 NZ LYS A 2 -21.482 1.050 -3.130 1.00 0.00 N ATOM 0 H LYS A 2 -21.854 -5.907 -0.863 1.00 0.00 H new ATOM 0 HA LYS A 2 -20.678 -4.772 -3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -21.799 -3.387 -1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -20.263 -3.669 -0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.108 -2.275 -1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -20.091 -2.679 -3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -21.996 -1.366 -2.231 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -20.801 -0.793 -1.083 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -19.527 0.304 -2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -20.410 -0.510 -4.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -21.155 1.764 -3.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -22.414 0.692 -3.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -21.558 1.481 -2.187 1.00 0.00 H new ATOM 42 N LYS A 3 -18.341 -5.491 -2.884 1.00 0.00 N ATOM 43 CA LYS A 3 -17.009 -6.056 -2.705 1.00 0.00 C ATOM 44 C LYS A 3 -15.946 -5.133 -3.290 1.00 0.00 C ATOM 45 O LYS A 3 -16.131 -4.555 -4.360 1.00 0.00 O ATOM 46 CB LYS A 3 -16.923 -7.437 -3.357 1.00 0.00 C ATOM 47 CG LYS A 3 -17.163 -7.419 -4.858 1.00 0.00 C ATOM 48 CD LYS A 3 -18.609 -7.744 -5.196 1.00 0.00 C ATOM 49 CE LYS A 3 -19.116 -6.896 -6.352 1.00 0.00 C ATOM 50 NZ LYS A 3 -19.043 -7.625 -7.648 1.00 0.00 N ATOM 0 H LYS A 3 -18.490 -5.039 -3.786 1.00 0.00 H new ATOM 0 HA LYS A 3 -16.825 -6.159 -1.636 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -15.938 -7.861 -3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -17.654 -8.096 -2.889 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -16.907 -6.437 -5.256 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -16.504 -8.141 -5.341 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -18.695 -8.800 -5.453 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -19.235 -7.577 -4.319 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -20.147 -6.599 -6.160 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -18.528 -5.981 -6.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -19.397 -7.013 -8.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -18.056 -7.886 -7.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -19.625 -8.485 -7.596 1.00 0.00 H new ATOM 64 N LEU A 4 -14.833 -4.995 -2.577 1.00 0.00 N ATOM 65 CA LEU A 4 -13.743 -4.138 -3.023 1.00 0.00 C ATOM 66 C LEU A 4 -12.388 -4.709 -2.609 1.00 0.00 C ATOM 67 O LEU A 4 -12.142 -4.956 -1.429 1.00 0.00 O ATOM 68 CB LEU A 4 -13.919 -2.730 -2.449 1.00 0.00 C ATOM 69 CG LEU A 4 -13.676 -2.606 -0.943 1.00 0.00 C ATOM 70 CD1 LEU A 4 -12.250 -2.151 -0.669 1.00 0.00 C ATOM 71 CD2 LEU A 4 -14.673 -1.640 -0.320 1.00 0.00 C ATOM 0 H LEU A 4 -14.663 -5.466 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 4 -13.770 -4.090 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -13.238 -2.056 -2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -14.931 -2.390 -2.667 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.818 -3.587 -0.489 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -12.095 -2.068 0.407 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -11.550 -2.878 -1.082 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -12.082 -1.180 -1.136 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.485 -1.564 0.751 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -14.562 -0.657 -0.778 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -15.686 -2.006 -0.486 1.00 0.00 H new ATOM 83 N GLN A 5 -11.516 -4.921 -3.590 1.00 0.00 N ATOM 84 CA GLN A 5 -10.189 -5.467 -3.331 1.00 0.00 C ATOM 85 C GLN A 5 -9.121 -4.386 -3.372 1.00 0.00 C ATOM 86 O GLN A 5 -9.231 -3.410 -4.115 1.00 0.00 O ATOM 87 CB GLN A 5 -9.849 -6.545 -4.352 1.00 0.00 C ATOM 88 CG GLN A 5 -10.941 -7.578 -4.502 1.00 0.00 C ATOM 89 CD GLN A 5 -10.490 -8.807 -5.265 1.00 0.00 C ATOM 90 OE1 GLN A 5 -10.231 -8.746 -6.467 1.00 0.00 O ATOM 91 NE2 GLN A 5 -10.394 -9.934 -4.569 1.00 0.00 N ATOM 0 H GLN A 5 -11.705 -4.723 -4.572 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.207 -5.899 -2.330 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.663 -6.077 -5.319 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.925 -7.041 -4.055 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.289 -7.878 -3.513 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.791 -7.129 -5.016 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -10.618 -9.940 -3.574 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.096 -10.794 -5.029 1.00 0.00 H new ATOM 100 N ILE A 6 -8.081 -4.583 -2.579 1.00 0.00 N ATOM 101 CA ILE A 6 -6.969 -3.644 -2.522 1.00 0.00 C ATOM 102 C ILE A 6 -5.653 -4.373 -2.263 1.00 0.00 C ATOM 103 O ILE A 6 -5.523 -5.110 -1.287 1.00 0.00 O ATOM 104 CB ILE A 6 -7.202 -2.545 -1.454 1.00 0.00 C ATOM 105 CG1 ILE A 6 -6.642 -1.210 -1.946 1.00 0.00 C ATOM 106 CG2 ILE A 6 -6.594 -2.914 -0.107 1.00 0.00 C ATOM 107 CD1 ILE A 6 -7.517 -0.538 -2.980 1.00 0.00 C ATOM 0 H ILE A 6 -7.982 -5.389 -1.962 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.908 -3.154 -3.494 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.278 -2.453 -1.305 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.518 -0.540 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -5.651 -1.374 -2.370 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.783 -2.114 0.609 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -7.045 -3.838 0.255 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.519 -3.054 -0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -7.061 0.404 -3.286 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.621 -1.189 -3.848 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -8.501 -0.343 -2.553 1.00 0.00 H new ATOM 119 N ALA A 7 -4.677 -4.148 -3.132 1.00 0.00 N ATOM 120 CA ALA A 7 -3.369 -4.768 -2.981 1.00 0.00 C ATOM 121 C ALA A 7 -2.307 -3.693 -2.971 1.00 0.00 C ATOM 122 O ALA A 7 -2.251 -2.876 -3.881 1.00 0.00 O ATOM 123 CB ALA A 7 -3.108 -5.768 -4.096 1.00 0.00 C ATOM 0 H ALA A 7 -4.766 -3.542 -3.947 1.00 0.00 H new ATOM 0 HA ALA A 7 -3.341 -5.313 -2.037 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -2.124 -6.217 -3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -3.869 -6.548 -4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.143 -5.257 -5.058 1.00 0.00 H new ATOM 129 N VAL A 8 -1.478 -3.669 -1.947 1.00 0.00 N ATOM 130 CA VAL A 8 -0.452 -2.646 -1.865 1.00 0.00 C ATOM 131 C VAL A 8 0.918 -3.227 -1.559 1.00 0.00 C ATOM 132 O VAL A 8 1.043 -4.355 -1.087 1.00 0.00 O ATOM 133 CB VAL A 8 -0.812 -1.562 -0.816 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.250 -1.716 -0.338 1.00 0.00 C ATOM 135 CG2 VAL A 8 0.148 -1.593 0.367 1.00 0.00 C ATOM 0 H VAL A 8 -1.491 -4.332 -1.172 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.407 -2.180 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 8 -0.715 -0.593 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -2.474 -0.943 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.928 -1.618 -1.186 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.379 -2.698 0.118 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -0.132 -0.821 1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.100 -2.570 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.164 -1.411 0.016 1.00 0.00 H new ATOM 145 N GLY A 9 1.940 -2.429 -1.831 1.00 0.00 N ATOM 146 CA GLY A 9 3.299 -2.845 -1.579 1.00 0.00 C ATOM 147 C GLY A 9 4.141 -1.708 -1.046 1.00 0.00 C ATOM 148 O GLY A 9 4.437 -0.754 -1.767 1.00 0.00 O ATOM 0 H GLY A 9 1.848 -1.493 -2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 9 3.301 -3.667 -0.863 1.00 0.00 H new ATOM 0 HA3 GLY A 9 3.741 -3.224 -2.501 1.00 0.00 H new ATOM 152 N ILE A 10 4.533 -1.806 0.215 1.00 0.00 N ATOM 153 CA ILE A 10 5.352 -0.771 0.836 1.00 0.00 C ATOM 154 C ILE A 10 6.756 -0.811 0.247 1.00 0.00 C ATOM 155 O ILE A 10 7.508 -1.752 0.489 1.00 0.00 O ATOM 156 CB ILE A 10 5.441 -0.915 2.381 1.00 0.00 C ATOM 157 CG1 ILE A 10 4.680 -2.148 2.885 1.00 0.00 C ATOM 158 CG2 ILE A 10 4.908 0.342 3.055 1.00 0.00 C ATOM 159 CD1 ILE A 10 4.707 -2.303 4.390 1.00 0.00 C ATOM 0 H ILE A 10 4.300 -2.587 0.828 1.00 0.00 H new ATOM 0 HA ILE A 10 4.871 0.184 0.627 1.00 0.00 H new ATOM 0 HB ILE A 10 6.491 -1.048 2.640 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.644 -2.086 2.553 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.108 -3.040 2.428 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.975 0.231 4.137 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.500 1.202 2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.867 0.494 2.770 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.149 -3.195 4.674 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.739 -2.397 4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.252 -1.428 4.854 1.00 0.00 H new ATOM 171 N ILE A 11 7.093 0.203 -0.546 1.00 0.00 N ATOM 172 CA ILE A 11 8.400 0.259 -1.195 1.00 0.00 C ATOM 173 C ILE A 11 9.515 0.544 -0.197 1.00 0.00 C ATOM 174 O ILE A 11 9.477 1.528 0.536 1.00 0.00 O ATOM 175 CB ILE A 11 8.456 1.317 -2.318 1.00 0.00 C ATOM 176 CG1 ILE A 11 7.069 1.545 -2.934 1.00 0.00 C ATOM 177 CG2 ILE A 11 9.444 0.876 -3.388 1.00 0.00 C ATOM 178 CD1 ILE A 11 7.113 2.220 -4.289 1.00 0.00 C ATOM 0 H ILE A 11 6.483 0.993 -0.754 1.00 0.00 H new ATOM 0 HA ILE A 11 8.550 -0.727 -1.635 1.00 0.00 H new ATOM 0 HB ILE A 11 8.788 2.261 -1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 11 6.561 0.585 -3.031 1.00 0.00 H new ATOM 0 HG13 ILE A 11 6.473 2.153 -2.253 1.00 0.00 H new ATOM 0 HG21 ILE A 11 9.481 1.625 -4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 11 10.434 0.766 -2.946 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.125 -0.079 -3.806 1.00 0.00 H new ATOM 0 HD11 ILE A 11 6.098 2.349 -4.664 1.00 0.00 H new ATOM 0 HD12 ILE A 11 7.592 3.195 -4.195 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.681 1.603 -4.985 1.00 0.00 H new ATOM 190 N ARG A 12 10.508 -0.339 -0.185 1.00 0.00 N ATOM 191 CA ARG A 12 11.650 -0.213 0.717 1.00 0.00 C ATOM 192 C ARG A 12 12.766 0.610 0.090 1.00 0.00 C ATOM 193 O ARG A 12 13.296 0.245 -0.964 1.00 0.00 O ATOM 194 CB ARG A 12 12.196 -1.594 1.079 1.00 0.00 C ATOM 195 CG ARG A 12 11.842 -2.044 2.486 1.00 0.00 C ATOM 196 CD ARG A 12 13.082 -2.219 3.348 1.00 0.00 C ATOM 197 NE ARG A 12 12.749 -2.623 4.712 1.00 0.00 N ATOM 198 CZ ARG A 12 12.438 -3.870 5.061 1.00 0.00 C ATOM 199 NH1 ARG A 12 12.414 -4.836 4.150 1.00 0.00 N ATOM 200 NH2 ARG A 12 12.149 -4.152 6.323 1.00 0.00 N ATOM 0 H ARG A 12 10.546 -1.156 -0.794 1.00 0.00 H new ATOM 0 HA ARG A 12 11.300 0.296 1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.812 -2.324 0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 12 13.281 -1.585 0.973 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.179 -1.312 2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.295 -2.985 2.440 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.734 -2.967 2.897 1.00 0.00 H new ATOM 0 HD3 ARG A 12 13.641 -1.283 3.373 1.00 0.00 H new ATOM 0 HE ARG A 12 12.755 -1.908 5.440 1.00 0.00 H new ATOM 0 HH11 ARG A 12 12.635 -4.625 3.177 1.00 0.00 H new ATOM 0 HH12 ARG A 12 12.175 -5.789 4.424 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.165 -3.414 7.027 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.911 -5.107 6.590 1.00 0.00 H new ATOM 214 N ASN A 13 13.127 1.705 0.759 1.00 0.00 N ATOM 215 CA ASN A 13 14.202 2.573 0.279 1.00 0.00 C ATOM 216 C ASN A 13 15.570 2.013 0.662 1.00 0.00 C ATOM 217 O ASN A 13 15.682 0.891 1.157 1.00 0.00 O ATOM 218 CB ASN A 13 14.058 4.006 0.808 1.00 0.00 C ATOM 219 CG ASN A 13 13.660 4.067 2.261 1.00 0.00 C ATOM 220 OD1 ASN A 13 14.326 3.494 3.123 1.00 0.00 O ATOM 221 ND2 ASN A 13 12.566 4.766 2.539 1.00 0.00 N ATOM 0 H ASN A 13 12.694 2.011 1.630 1.00 0.00 H new ATOM 0 HA ASN A 13 14.123 2.604 -0.808 1.00 0.00 H new ATOM 0 HB2 ASN A 13 15.003 4.532 0.675 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.313 4.533 0.212 1.00 0.00 H new ATOM 0 HD21 ASN A 13 12.243 4.846 3.503 1.00 0.00 H new ATOM 0 HD22 ASN A 13 12.048 5.223 1.788 1.00 0.00 H new ATOM 228 N GLU A 14 16.607 2.800 0.400 1.00 0.00 N ATOM 229 CA GLU A 14 17.986 2.406 0.677 1.00 0.00 C ATOM 230 C GLU A 14 18.369 2.566 2.153 1.00 0.00 C ATOM 231 O GLU A 14 19.546 2.478 2.500 1.00 0.00 O ATOM 232 CB GLU A 14 18.921 3.251 -0.189 1.00 0.00 C ATOM 233 CG GLU A 14 20.397 2.937 0.004 1.00 0.00 C ATOM 234 CD GLU A 14 21.169 2.940 -1.300 1.00 0.00 C ATOM 235 OE1 GLU A 14 21.417 4.039 -1.841 1.00 0.00 O ATOM 236 OE2 GLU A 14 21.525 1.845 -1.782 1.00 0.00 O ATOM 0 H GLU A 14 16.517 3.729 -0.010 1.00 0.00 H new ATOM 0 HA GLU A 14 18.081 1.346 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.662 3.101 -1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.752 4.305 0.034 1.00 0.00 H new ATOM 0 HG2 GLU A 14 20.835 3.669 0.683 1.00 0.00 H new ATOM 0 HG3 GLU A 14 20.498 1.961 0.479 1.00 0.00 H new ATOM 243 N ASN A 15 17.393 2.810 3.025 1.00 0.00 N ATOM 244 CA ASN A 15 17.690 2.984 4.448 1.00 0.00 C ATOM 245 C ASN A 15 16.696 2.239 5.339 1.00 0.00 C ATOM 246 O ASN A 15 16.169 2.806 6.298 1.00 0.00 O ATOM 247 CB ASN A 15 17.694 4.471 4.803 1.00 0.00 C ATOM 248 CG ASN A 15 18.124 4.724 6.235 1.00 0.00 C ATOM 249 OD1 ASN A 15 17.348 5.222 7.050 1.00 0.00 O ATOM 250 ND2 ASN A 15 19.367 4.380 6.548 1.00 0.00 N ATOM 0 H ASN A 15 16.406 2.891 2.779 1.00 0.00 H new ATOM 0 HA ASN A 15 18.677 2.559 4.630 1.00 0.00 H new ATOM 0 HB2 ASN A 15 18.364 5.001 4.127 1.00 0.00 H new ATOM 0 HB3 ASN A 15 16.696 4.881 4.649 1.00 0.00 H new ATOM 0 HD21 ASN A 15 19.713 4.526 7.496 1.00 0.00 H new ATOM 0 HD22 ASN A 15 19.976 3.970 5.840 1.00 0.00 H new ATOM 257 N ASN A 16 16.442 0.969 5.025 1.00 0.00 N ATOM 258 CA ASN A 16 15.509 0.152 5.808 1.00 0.00 C ATOM 259 C ASN A 16 14.231 0.928 6.124 1.00 0.00 C ATOM 260 O ASN A 16 13.556 0.671 7.122 1.00 0.00 O ATOM 261 CB ASN A 16 16.171 -0.318 7.101 1.00 0.00 C ATOM 262 CG ASN A 16 16.284 -1.828 7.180 1.00 0.00 C ATOM 263 OD1 ASN A 16 15.535 -2.553 6.524 1.00 0.00 O ATOM 264 ND2 ASN A 16 17.224 -2.310 7.986 1.00 0.00 N ATOM 0 H ASN A 16 16.867 0.482 4.236 1.00 0.00 H new ATOM 0 HA ASN A 16 15.240 -0.719 5.210 1.00 0.00 H new ATOM 0 HB2 ASN A 16 17.165 0.122 7.177 1.00 0.00 H new ATOM 0 HB3 ASN A 16 15.596 0.045 7.953 1.00 0.00 H new ATOM 0 HD21 ASN A 16 17.347 -3.318 8.080 1.00 0.00 H new ATOM 0 HD22 ASN A 16 17.822 -1.672 8.511 1.00 0.00 H new ATOM 271 N GLU A 17 13.910 1.873 5.254 1.00 0.00 N ATOM 272 CA GLU A 17 12.726 2.700 5.401 1.00 0.00 C ATOM 273 C GLU A 17 11.859 2.549 4.160 1.00 0.00 C ATOM 274 O GLU A 17 12.328 2.065 3.134 1.00 0.00 O ATOM 275 CB GLU A 17 13.118 4.165 5.623 1.00 0.00 C ATOM 276 CG GLU A 17 13.604 4.458 7.032 1.00 0.00 C ATOM 277 CD GLU A 17 13.331 5.889 7.459 1.00 0.00 C ATOM 278 OE1 GLU A 17 12.859 6.681 6.617 1.00 0.00 O ATOM 279 OE2 GLU A 17 13.592 6.216 8.635 1.00 0.00 O ATOM 0 H GLU A 17 14.465 2.087 4.425 1.00 0.00 H new ATOM 0 HA GLU A 17 12.159 2.376 6.274 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.901 4.434 4.914 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.259 4.799 5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.117 3.776 7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.675 4.263 7.091 1.00 0.00 H new ATOM 286 N ILE A 18 10.592 2.920 4.252 1.00 0.00 N ATOM 287 CA ILE A 18 9.697 2.778 3.111 1.00 0.00 C ATOM 288 C ILE A 18 8.954 4.077 2.807 1.00 0.00 C ATOM 289 O ILE A 18 8.574 4.821 3.710 1.00 0.00 O ATOM 290 CB ILE A 18 8.693 1.635 3.355 1.00 0.00 C ATOM 291 CG1 ILE A 18 9.387 0.285 3.190 1.00 0.00 C ATOM 292 CG2 ILE A 18 7.487 1.734 2.427 1.00 0.00 C ATOM 293 CD1 ILE A 18 8.910 -0.766 4.168 1.00 0.00 C ATOM 0 H ILE A 18 10.164 3.315 5.089 1.00 0.00 H new ATOM 0 HA ILE A 18 10.310 2.537 2.243 1.00 0.00 H new ATOM 0 HB ILE A 18 8.325 1.725 4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 18 9.224 -0.076 2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 18 10.462 0.421 3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.803 0.910 2.630 1.00 0.00 H new ATOM 0 HG22 ILE A 18 6.975 2.681 2.596 1.00 0.00 H new ATOM 0 HG23 ILE A 18 7.820 1.681 1.391 1.00 0.00 H new ATOM 0 HD11 ILE A 18 9.447 -1.698 3.991 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.098 -0.427 5.187 1.00 0.00 H new ATOM 0 HD13 ILE A 18 7.841 -0.932 4.032 1.00 0.00 H new ATOM 305 N PHE A 19 8.751 4.330 1.517 1.00 0.00 N ATOM 306 CA PHE A 19 8.054 5.525 1.064 1.00 0.00 C ATOM 307 C PHE A 19 6.548 5.276 0.986 1.00 0.00 C ATOM 308 O PHE A 19 6.089 4.430 0.217 1.00 0.00 O ATOM 309 CB PHE A 19 8.598 5.964 -0.307 1.00 0.00 C ATOM 310 CG PHE A 19 7.543 6.123 -1.369 1.00 0.00 C ATOM 311 CD1 PHE A 19 6.836 7.308 -1.491 1.00 0.00 C ATOM 312 CD2 PHE A 19 7.257 5.084 -2.241 1.00 0.00 C ATOM 313 CE1 PHE A 19 5.864 7.453 -2.462 1.00 0.00 C ATOM 314 CE2 PHE A 19 6.286 5.225 -3.213 1.00 0.00 C ATOM 315 CZ PHE A 19 5.589 6.411 -3.324 1.00 0.00 C ATOM 0 H PHE A 19 9.063 3.717 0.764 1.00 0.00 H new ATOM 0 HA PHE A 19 8.229 6.324 1.785 1.00 0.00 H new ATOM 0 HB2 PHE A 19 9.125 6.911 -0.190 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.331 5.232 -0.646 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.047 8.127 -0.820 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.800 4.154 -2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.319 8.382 -2.546 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.072 4.408 -3.886 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.830 6.523 -4.084 1.00 0.00 H new ATOM 325 N ILE A 20 5.787 6.027 1.770 1.00 0.00 N ATOM 326 CA ILE A 20 4.337 5.900 1.775 1.00 0.00 C ATOM 327 C ILE A 20 3.700 7.215 1.336 1.00 0.00 C ATOM 328 O ILE A 20 4.225 8.290 1.624 1.00 0.00 O ATOM 329 CB ILE A 20 3.785 5.509 3.168 1.00 0.00 C ATOM 330 CG1 ILE A 20 4.911 5.420 4.204 1.00 0.00 C ATOM 331 CG2 ILE A 20 3.038 4.187 3.088 1.00 0.00 C ATOM 332 CD1 ILE A 20 4.414 5.354 5.631 1.00 0.00 C ATOM 0 H ILE A 20 6.151 6.732 2.412 1.00 0.00 H new ATOM 0 HA ILE A 20 4.082 5.102 1.078 1.00 0.00 H new ATOM 0 HB ILE A 20 3.093 6.288 3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 20 5.515 4.537 3.997 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.564 6.286 4.095 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.656 3.925 4.075 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.206 4.281 2.390 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.716 3.406 2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.264 5.293 6.310 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.834 6.249 5.856 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.785 4.473 5.757 1.00 0.00 H new ATOM 344 N THR A 21 2.576 7.129 0.638 1.00 0.00 N ATOM 345 CA THR A 21 1.890 8.326 0.167 1.00 0.00 C ATOM 346 C THR A 21 1.259 9.074 1.334 1.00 0.00 C ATOM 347 O THR A 21 0.313 8.590 1.952 1.00 0.00 O ATOM 348 CB THR A 21 0.817 7.966 -0.866 1.00 0.00 C ATOM 349 OG1 THR A 21 -0.402 7.626 -0.230 1.00 0.00 O ATOM 350 CG2 THR A 21 1.202 6.808 -1.761 1.00 0.00 C ATOM 0 H THR A 21 2.122 6.251 0.386 1.00 0.00 H new ATOM 0 HA THR A 21 2.627 8.973 -0.308 1.00 0.00 H new ATOM 0 HB THR A 21 0.708 8.859 -1.482 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.242 7.474 0.725 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.395 6.610 -2.467 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.110 7.058 -2.309 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.378 5.921 -1.153 1.00 0.00 H new ATOM 358 N ARG A 22 1.791 10.256 1.632 1.00 0.00 N ATOM 359 CA ARG A 22 1.281 11.068 2.731 1.00 0.00 C ATOM 360 C ARG A 22 0.858 12.447 2.239 1.00 0.00 C ATOM 361 O ARG A 22 1.655 13.178 1.650 1.00 0.00 O ATOM 362 CB ARG A 22 2.343 11.209 3.823 1.00 0.00 C ATOM 363 CG ARG A 22 1.775 11.613 5.175 1.00 0.00 C ATOM 364 CD ARG A 22 2.675 12.613 5.882 1.00 0.00 C ATOM 365 NE ARG A 22 2.838 13.844 5.112 1.00 0.00 N ATOM 366 CZ ARG A 22 3.768 14.761 5.368 1.00 0.00 C ATOM 367 NH1 ARG A 22 4.620 14.591 6.372 1.00 0.00 N ATOM 368 NH2 ARG A 22 3.847 15.851 4.618 1.00 0.00 N ATOM 0 H ARG A 22 2.574 10.672 1.128 1.00 0.00 H new ATOM 0 HA ARG A 22 0.407 10.566 3.145 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.872 10.262 3.929 1.00 0.00 H new ATOM 0 HB3 ARG A 22 3.078 11.951 3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 22 0.784 12.046 5.040 1.00 0.00 H new ATOM 0 HG3 ARG A 22 1.653 10.727 5.799 1.00 0.00 H new ATOM 0 HD2 ARG A 22 2.255 12.850 6.860 1.00 0.00 H new ATOM 0 HD3 ARG A 22 3.652 12.162 6.055 1.00 0.00 H new ATOM 0 HE ARG A 22 2.202 14.010 4.332 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.564 13.754 6.952 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.331 15.297 6.563 1.00 0.00 H new ATOM 0 HH21 ARG A 22 3.195 15.987 3.845 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.560 16.554 4.814 1.00 0.00 H new ATOM 382 N ARG A 23 -0.401 12.797 2.483 1.00 0.00 N ATOM 383 CA ARG A 23 -0.929 14.090 2.065 1.00 0.00 C ATOM 384 C ARG A 23 -0.683 14.324 0.573 1.00 0.00 C ATOM 385 O ARG A 23 -1.387 13.770 -0.272 1.00 0.00 O ATOM 386 CB ARG A 23 -0.314 15.210 2.914 1.00 0.00 C ATOM 387 CG ARG A 23 -0.770 16.604 2.511 1.00 0.00 C ATOM 388 CD ARG A 23 -1.057 17.470 3.727 1.00 0.00 C ATOM 389 NE ARG A 23 0.151 18.110 4.242 1.00 0.00 N ATOM 390 CZ ARG A 23 0.255 18.619 5.467 1.00 0.00 C ATOM 391 NH1 ARG A 23 -0.772 18.565 6.306 1.00 0.00 N ATOM 392 NH2 ARG A 23 1.391 19.184 5.855 1.00 0.00 N ATOM 0 H ARG A 23 -1.074 12.203 2.968 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.008 14.095 2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.569 15.042 3.960 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.772 15.157 2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.001 17.077 1.900 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.667 16.531 1.895 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.788 18.235 3.463 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.505 16.858 4.510 1.00 0.00 H new ATOM 0 HE ARG A 23 0.962 18.170 3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.648 18.131 6.013 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.686 18.957 7.244 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.184 19.228 5.214 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.472 19.575 6.794 1.00 0.00 H new ATOM 406 N ALA A 24 0.314 15.138 0.254 1.00 0.00 N ATOM 407 CA ALA A 24 0.651 15.437 -1.134 1.00 0.00 C ATOM 408 C ALA A 24 1.742 16.500 -1.214 1.00 0.00 C ATOM 409 O ALA A 24 2.870 16.217 -1.615 1.00 0.00 O ATOM 410 CB ALA A 24 -0.587 15.890 -1.900 1.00 0.00 C ATOM 0 H ALA A 24 0.907 15.606 0.940 1.00 0.00 H new ATOM 0 HA ALA A 24 1.030 14.524 -1.593 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.316 16.108 -2.933 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.336 15.099 -1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.995 16.787 -1.434 1.00 0.00 H new ATOM 416 N ALA A 25 1.396 17.725 -0.829 1.00 0.00 N ATOM 417 CA ALA A 25 2.344 18.832 -0.855 1.00 0.00 C ATOM 418 C ALA A 25 1.773 20.060 -0.154 1.00 0.00 C ATOM 419 O ALA A 25 2.474 20.740 0.596 1.00 0.00 O ATOM 420 CB ALA A 25 2.720 19.168 -2.291 1.00 0.00 C ATOM 0 H ALA A 25 0.465 17.975 -0.495 1.00 0.00 H new ATOM 0 HA ALA A 25 3.241 18.524 -0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.428 19.996 -2.297 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.176 18.297 -2.761 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.825 19.452 -2.845 1.00 0.00 H new ATOM 426 N ASP A 26 0.498 20.339 -0.402 1.00 0.00 N ATOM 427 CA ASP A 26 -0.166 21.486 0.206 1.00 0.00 C ATOM 428 C ASP A 26 -1.682 21.328 0.156 1.00 0.00 C ATOM 429 O ASP A 26 -2.410 22.295 -0.075 1.00 0.00 O ATOM 430 CB ASP A 26 0.249 22.777 -0.502 1.00 0.00 C ATOM 431 CG ASP A 26 -0.096 22.763 -1.978 1.00 0.00 C ATOM 432 OD1 ASP A 26 0.370 21.847 -2.689 1.00 0.00 O ATOM 433 OD2 ASP A 26 -0.831 23.669 -2.425 1.00 0.00 O ATOM 0 H ASP A 26 -0.096 19.786 -1.020 1.00 0.00 H new ATOM 0 HA ASP A 26 0.140 21.539 1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.243 23.624 -0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.323 22.924 -0.384 1.00 0.00 H new ATOM 438 N ALA A 27 -2.153 20.105 0.374 1.00 0.00 N ATOM 439 CA ALA A 27 -3.583 19.821 0.354 1.00 0.00 C ATOM 440 C ALA A 27 -3.992 18.984 1.561 1.00 0.00 C ATOM 441 O ALA A 27 -3.349 17.986 1.883 1.00 0.00 O ATOM 442 CB ALA A 27 -3.961 19.109 -0.936 1.00 0.00 C ATOM 0 H ALA A 27 -1.565 19.294 0.567 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.118 20.769 0.403 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.031 18.903 -0.938 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.712 19.742 -1.788 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.411 18.171 -1.008 1.00 0.00 H new ATOM 448 N HIS A 28 -5.065 19.400 2.227 1.00 0.00 N ATOM 449 CA HIS A 28 -5.560 18.688 3.400 1.00 0.00 C ATOM 450 C HIS A 28 -5.920 17.246 3.054 1.00 0.00 C ATOM 451 O HIS A 28 -7.067 16.945 2.725 1.00 0.00 O ATOM 452 CB HIS A 28 -6.780 19.405 3.981 1.00 0.00 C ATOM 453 CG HIS A 28 -6.882 19.302 5.471 1.00 0.00 C ATOM 454 ND1 HIS A 28 -6.174 18.378 6.212 1.00 0.00 N ATOM 455 CD2 HIS A 28 -7.614 20.013 6.361 1.00 0.00 C ATOM 456 CE1 HIS A 28 -6.468 18.525 7.492 1.00 0.00 C ATOM 457 NE2 HIS A 28 -7.338 19.510 7.608 1.00 0.00 N ATOM 0 H HIS A 28 -5.608 20.226 1.975 1.00 0.00 H new ATOM 0 HA HIS A 28 -4.765 18.674 4.146 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -6.741 20.457 3.700 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.683 18.989 3.534 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -8.289 20.824 6.132 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -6.065 17.939 8.305 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -7.741 19.844 8.484 1.00 0.00 H new ATOM 466 N MET A 29 -4.932 16.361 3.131 1.00 0.00 N ATOM 467 CA MET A 29 -5.144 14.950 2.826 1.00 0.00 C ATOM 468 C MET A 29 -4.115 14.079 3.543 1.00 0.00 C ATOM 469 O MET A 29 -3.764 12.999 3.068 1.00 0.00 O ATOM 470 CB MET A 29 -5.067 14.716 1.317 1.00 0.00 C ATOM 471 CG MET A 29 -6.424 14.725 0.630 1.00 0.00 C ATOM 472 SD MET A 29 -7.429 13.292 1.061 1.00 0.00 S ATOM 473 CE MET A 29 -8.397 13.951 2.416 1.00 0.00 C ATOM 0 H MET A 29 -3.977 16.595 3.402 1.00 0.00 H new ATOM 0 HA MET A 29 -6.137 14.672 3.178 1.00 0.00 H new ATOM 0 HB2 MET A 29 -4.438 15.485 0.870 1.00 0.00 H new ATOM 0 HB3 MET A 29 -4.581 13.758 1.130 1.00 0.00 H new ATOM 0 HG2 MET A 29 -6.959 15.635 0.903 1.00 0.00 H new ATOM 0 HG3 MET A 29 -6.280 14.752 -0.450 1.00 0.00 H new ATOM 0 HE1 MET A 29 -9.392 13.506 2.403 1.00 0.00 H new ATOM 0 HE2 MET A 29 -7.907 13.716 3.361 1.00 0.00 H new ATOM 0 HE3 MET A 29 -8.482 15.033 2.310 1.00 0.00 H new ATOM 483 N ALA A 30 -3.635 14.556 4.686 1.00 0.00 N ATOM 484 CA ALA A 30 -2.648 13.821 5.468 1.00 0.00 C ATOM 485 C ALA A 30 -3.277 12.629 6.187 1.00 0.00 C ATOM 486 O ALA A 30 -2.571 11.760 6.698 1.00 0.00 O ATOM 487 CB ALA A 30 -1.976 14.746 6.471 1.00 0.00 C ATOM 0 H ALA A 30 -3.914 15.449 5.092 1.00 0.00 H new ATOM 0 HA ALA A 30 -1.897 13.436 4.779 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.241 14.185 7.048 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.478 15.557 5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.727 15.160 7.144 1.00 0.00 H new ATOM 493 N ASN A 31 -4.607 12.591 6.226 1.00 0.00 N ATOM 494 CA ASN A 31 -5.321 11.504 6.886 1.00 0.00 C ATOM 495 C ASN A 31 -5.488 10.299 5.959 1.00 0.00 C ATOM 496 O ASN A 31 -6.137 9.317 6.321 1.00 0.00 O ATOM 497 CB ASN A 31 -6.693 11.985 7.363 1.00 0.00 C ATOM 498 CG ASN A 31 -7.355 10.999 8.305 1.00 0.00 C ATOM 499 OD1 ASN A 31 -6.682 10.252 9.014 1.00 0.00 O ATOM 500 ND2 ASN A 31 -8.683 10.992 8.316 1.00 0.00 N ATOM 0 H ASN A 31 -5.210 13.300 5.809 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.727 11.191 7.745 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.584 12.946 7.865 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -7.338 12.148 6.500 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.185 10.350 8.929 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.201 11.629 7.711 1.00 0.00 H new ATOM 507 N LYS A 32 -4.902 10.373 4.766 1.00 0.00 N ATOM 508 CA LYS A 32 -4.993 9.281 3.801 1.00 0.00 C ATOM 509 C LYS A 32 -3.632 8.646 3.559 1.00 0.00 C ATOM 510 O LYS A 32 -3.379 8.075 2.498 1.00 0.00 O ATOM 511 CB LYS A 32 -5.593 9.773 2.483 1.00 0.00 C ATOM 512 CG LYS A 32 -7.007 9.271 2.235 1.00 0.00 C ATOM 513 CD LYS A 32 -8.029 10.076 3.022 1.00 0.00 C ATOM 514 CE LYS A 32 -9.397 9.415 2.995 1.00 0.00 C ATOM 515 NZ LYS A 32 -9.425 8.162 3.799 1.00 0.00 N ATOM 0 H LYS A 32 -4.361 11.176 4.445 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.652 8.521 4.221 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.597 10.863 2.479 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.953 9.454 1.660 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.235 9.333 1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.076 8.220 2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.695 10.181 4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.101 11.081 2.606 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.143 10.110 3.380 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.672 9.191 1.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.411 7.870 3.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.917 7.411 3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.966 8.328 4.717 1.00 0.00 H new ATOM 529 N LEU A 33 -2.764 8.754 4.551 1.00 0.00 N ATOM 530 CA LEU A 33 -1.419 8.194 4.468 1.00 0.00 C ATOM 531 C LEU A 33 -1.468 6.701 4.152 1.00 0.00 C ATOM 532 O LEU A 33 -1.454 5.868 5.056 1.00 0.00 O ATOM 533 CB LEU A 33 -0.669 8.429 5.782 1.00 0.00 C ATOM 534 CG LEU A 33 0.712 7.782 5.868 1.00 0.00 C ATOM 535 CD1 LEU A 33 1.548 8.140 4.648 1.00 0.00 C ATOM 536 CD2 LEU A 33 1.419 8.206 7.147 1.00 0.00 C ATOM 0 H LEU A 33 -2.966 9.228 5.431 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.889 8.697 3.659 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.559 9.503 5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.280 8.053 6.603 1.00 0.00 H new ATOM 0 HG LEU A 33 0.585 6.700 5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.528 7.670 4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.048 7.785 3.747 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.668 9.222 4.594 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.401 7.736 7.193 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.534 9.290 7.157 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.828 7.896 8.009 1.00 0.00 H new ATOM 548 N GLU A 34 -1.535 6.367 2.864 1.00 0.00 N ATOM 549 CA GLU A 34 -1.601 4.971 2.442 1.00 0.00 C ATOM 550 C GLU A 34 -0.412 4.585 1.565 1.00 0.00 C ATOM 551 O GLU A 34 0.550 5.340 1.431 1.00 0.00 O ATOM 552 CB GLU A 34 -2.910 4.704 1.696 1.00 0.00 C ATOM 553 CG GLU A 34 -3.585 3.403 2.100 1.00 0.00 C ATOM 554 CD GLU A 34 -4.398 2.794 0.974 1.00 0.00 C ATOM 555 OE1 GLU A 34 -5.413 3.405 0.578 1.00 0.00 O ATOM 556 OE2 GLU A 34 -4.020 1.709 0.488 1.00 0.00 O ATOM 0 H GLU A 34 -1.545 7.041 2.099 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.564 4.356 3.341 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.597 5.531 1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.710 4.683 0.625 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.827 2.690 2.423 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.236 3.586 2.955 1.00 0.00 H new ATOM 563 N PHE A 35 -0.488 3.390 0.982 1.00 0.00 N ATOM 564 CA PHE A 35 0.579 2.877 0.126 1.00 0.00 C ATOM 565 C PHE A 35 0.080 2.607 -1.297 1.00 0.00 C ATOM 566 O PHE A 35 -1.123 2.608 -1.557 1.00 0.00 O ATOM 567 CB PHE A 35 1.172 1.591 0.720 1.00 0.00 C ATOM 568 CG PHE A 35 0.844 1.366 2.172 1.00 0.00 C ATOM 569 CD1 PHE A 35 -0.447 1.053 2.567 1.00 0.00 C ATOM 570 CD2 PHE A 35 1.830 1.468 3.138 1.00 0.00 C ATOM 571 CE1 PHE A 35 -0.747 0.847 3.900 1.00 0.00 C ATOM 572 CE2 PHE A 35 1.537 1.263 4.472 1.00 0.00 C ATOM 573 CZ PHE A 35 0.246 0.952 4.853 1.00 0.00 C ATOM 0 H PHE A 35 -1.281 2.757 1.088 1.00 0.00 H new ATOM 0 HA PHE A 35 1.353 3.643 0.075 1.00 0.00 H new ATOM 0 HB2 PHE A 35 0.812 0.739 0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 35 2.256 1.619 0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.227 0.969 1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.841 1.711 2.845 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -1.757 0.604 4.196 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.316 1.346 5.216 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.014 0.791 5.895 1.00 0.00 H new ATOM 583 N PRO A 36 1.015 2.364 -2.238 1.00 0.00 N ATOM 584 CA PRO A 36 0.693 2.085 -3.645 1.00 0.00 C ATOM 585 C PRO A 36 0.076 0.703 -3.853 1.00 0.00 C ATOM 586 O PRO A 36 0.119 -0.143 -2.968 1.00 0.00 O ATOM 587 CB PRO A 36 2.050 2.165 -4.347 1.00 0.00 C ATOM 588 CG PRO A 36 3.043 1.828 -3.292 1.00 0.00 C ATOM 589 CD PRO A 36 2.473 2.345 -1.999 1.00 0.00 C ATOM 0 HA PRO A 36 -0.049 2.785 -4.028 1.00 0.00 H new ATOM 0 HB2 PRO A 36 2.106 1.465 -5.181 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.227 3.161 -4.754 1.00 0.00 H new ATOM 0 HG2 PRO A 36 3.208 0.752 -3.242 1.00 0.00 H new ATOM 0 HG3 PRO A 36 4.008 2.289 -3.504 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.732 1.698 -1.161 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.853 3.339 -1.764 1.00 0.00 H new ATOM 597 N GLY A 37 -0.483 0.489 -5.040 1.00 0.00 N ATOM 598 CA GLY A 37 -1.100 -0.784 -5.377 1.00 0.00 C ATOM 599 C GLY A 37 -2.620 -0.772 -5.298 1.00 0.00 C ATOM 600 O GLY A 37 -3.269 -1.738 -5.672 1.00 0.00 O ATOM 0 H GLY A 37 -0.520 1.185 -5.785 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -0.801 -1.066 -6.386 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.717 -1.552 -4.705 1.00 0.00 H new ATOM 604 N GLY A 38 -3.187 0.320 -4.832 1.00 0.00 N ATOM 605 CA GLY A 38 -4.630 0.433 -4.733 1.00 0.00 C ATOM 606 C GLY A 38 -5.334 0.339 -6.079 1.00 0.00 C ATOM 607 O GLY A 38 -4.853 0.888 -7.073 1.00 0.00 O ATOM 0 H GLY A 38 -2.673 1.142 -4.516 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.005 -0.354 -4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.882 1.384 -4.264 1.00 0.00 H new ATOM 611 N LYS A 39 -6.489 -0.346 -6.098 1.00 0.00 N ATOM 612 CA LYS A 39 -7.306 -0.510 -7.305 1.00 0.00 C ATOM 613 C LYS A 39 -7.038 -1.828 -8.025 1.00 0.00 C ATOM 614 O LYS A 39 -7.613 -2.087 -9.082 1.00 0.00 O ATOM 615 CB LYS A 39 -7.118 0.650 -8.277 1.00 0.00 C ATOM 616 CG LYS A 39 -8.138 0.650 -9.395 1.00 0.00 C ATOM 617 CD LYS A 39 -8.903 1.964 -9.452 1.00 0.00 C ATOM 618 CE LYS A 39 -9.934 2.058 -8.336 1.00 0.00 C ATOM 619 NZ LYS A 39 -9.301 2.262 -7.000 1.00 0.00 N ATOM 0 H LYS A 39 -6.881 -0.801 -5.274 1.00 0.00 H new ATOM 0 HA LYS A 39 -8.340 -0.520 -6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.185 1.591 -7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.117 0.601 -8.705 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.636 0.479 -10.347 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.837 -0.173 -9.251 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -8.204 2.797 -9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.401 2.055 -10.417 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.616 2.882 -8.543 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.531 1.147 -8.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -9.998 2.667 -6.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -8.968 1.349 -6.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -8.495 2.912 -7.094 1.00 0.00 H new ATOM 633 N ILE A 40 -6.182 -2.670 -7.456 1.00 0.00 N ATOM 634 CA ILE A 40 -5.881 -3.962 -8.070 1.00 0.00 C ATOM 635 C ILE A 40 -7.163 -4.719 -8.382 1.00 0.00 C ATOM 636 O ILE A 40 -7.217 -5.543 -9.294 1.00 0.00 O ATOM 637 CB ILE A 40 -4.977 -4.835 -7.177 1.00 0.00 C ATOM 638 CG1 ILE A 40 -5.776 -5.483 -6.033 1.00 0.00 C ATOM 639 CG2 ILE A 40 -3.836 -3.997 -6.631 1.00 0.00 C ATOM 640 CD1 ILE A 40 -5.405 -6.928 -5.775 1.00 0.00 C ATOM 0 H ILE A 40 -5.689 -2.487 -6.582 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.343 -3.752 -8.994 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.567 -5.642 -7.784 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -5.619 -4.908 -5.120 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.839 -5.426 -6.266 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.199 -4.617 -6.000 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.249 -3.598 -7.458 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.239 -3.173 -6.042 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -6.009 -7.318 -4.956 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.589 -7.517 -6.674 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.350 -6.991 -5.510 1.00 0.00 H new ATOM 652 N GLU A 41 -8.188 -4.419 -7.596 1.00 0.00 N ATOM 653 CA GLU A 41 -9.498 -5.041 -7.735 1.00 0.00 C ATOM 654 C GLU A 41 -9.875 -5.207 -9.200 1.00 0.00 C ATOM 655 O GLU A 41 -9.792 -6.308 -9.743 1.00 0.00 O ATOM 656 CB GLU A 41 -10.558 -4.206 -7.008 1.00 0.00 C ATOM 657 CG GLU A 41 -10.301 -2.701 -7.037 1.00 0.00 C ATOM 658 CD GLU A 41 -11.432 -1.924 -7.682 1.00 0.00 C ATOM 659 OE1 GLU A 41 -12.162 -2.510 -8.507 1.00 0.00 O ATOM 660 OE2 GLU A 41 -11.590 -0.727 -7.360 1.00 0.00 O ATOM 0 H GLU A 41 -8.134 -3.735 -6.841 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.452 -6.032 -7.284 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.531 -4.405 -7.457 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.613 -4.534 -5.970 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.155 -2.342 -6.018 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.376 -2.505 -7.580 1.00 0.00 H new ATOM 667 N MET A 42 -10.278 -4.101 -9.827 1.00 0.00 N ATOM 668 CA MET A 42 -10.667 -4.085 -11.243 1.00 0.00 C ATOM 669 C MET A 42 -11.140 -5.458 -11.732 1.00 0.00 C ATOM 670 O MET A 42 -12.336 -5.747 -11.733 1.00 0.00 O ATOM 671 CB MET A 42 -9.500 -3.594 -12.105 1.00 0.00 C ATOM 672 CG MET A 42 -9.194 -2.116 -11.929 1.00 0.00 C ATOM 673 SD MET A 42 -10.484 -1.055 -12.606 1.00 0.00 S ATOM 674 CE MET A 42 -9.780 -0.638 -14.198 1.00 0.00 C ATOM 0 H MET A 42 -10.345 -3.191 -9.371 1.00 0.00 H new ATOM 0 HA MET A 42 -11.508 -3.398 -11.339 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.609 -4.173 -11.860 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.727 -3.787 -13.153 1.00 0.00 H new ATOM 0 HG2 MET A 42 -9.070 -1.898 -10.868 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.246 -1.885 -12.415 1.00 0.00 H new ATOM 0 HE1 MET A 42 -10.464 0.017 -14.738 1.00 0.00 H new ATOM 0 HE2 MET A 42 -8.828 -0.127 -14.052 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.619 -1.549 -14.774 1.00 0.00 H new ATOM 684 N GLY A 43 -10.192 -6.299 -12.145 1.00 0.00 N ATOM 685 CA GLY A 43 -10.535 -7.624 -12.625 1.00 0.00 C ATOM 686 C GLY A 43 -9.320 -8.488 -12.880 1.00 0.00 C ATOM 687 O GLY A 43 -9.324 -9.334 -13.774 1.00 0.00 O ATOM 0 H GLY A 43 -9.195 -6.084 -12.155 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -11.177 -8.115 -11.894 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.111 -7.534 -13.546 1.00 0.00 H new ATOM 691 N GLU A 44 -8.281 -8.268 -12.096 1.00 0.00 N ATOM 692 CA GLU A 44 -7.042 -9.028 -12.236 1.00 0.00 C ATOM 693 C GLU A 44 -7.064 -10.285 -11.368 1.00 0.00 C ATOM 694 O GLU A 44 -8.089 -10.619 -10.772 1.00 0.00 O ATOM 695 CB GLU A 44 -5.844 -8.154 -11.864 1.00 0.00 C ATOM 696 CG GLU A 44 -5.180 -7.491 -13.060 1.00 0.00 C ATOM 697 CD GLU A 44 -6.157 -6.692 -13.900 1.00 0.00 C ATOM 698 OE1 GLU A 44 -6.833 -5.804 -13.338 1.00 0.00 O ATOM 699 OE2 GLU A 44 -6.244 -6.952 -15.118 1.00 0.00 O ATOM 0 H GLU A 44 -8.266 -7.569 -11.353 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.951 -9.337 -13.277 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.170 -7.383 -11.166 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.107 -8.765 -11.342 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.384 -6.833 -12.711 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.712 -8.255 -13.681 1.00 0.00 H new ATOM 706 N THR A 45 -5.929 -10.979 -11.301 1.00 0.00 N ATOM 707 CA THR A 45 -5.823 -12.195 -10.506 1.00 0.00 C ATOM 708 C THR A 45 -5.127 -11.904 -9.181 1.00 0.00 C ATOM 709 O THR A 45 -4.326 -10.978 -9.087 1.00 0.00 O ATOM 710 CB THR A 45 -5.050 -13.268 -11.282 1.00 0.00 C ATOM 711 OG1 THR A 45 -4.799 -12.847 -12.610 1.00 0.00 O ATOM 712 CG2 THR A 45 -5.772 -14.596 -11.353 1.00 0.00 C ATOM 0 H THR A 45 -5.072 -10.718 -11.788 1.00 0.00 H new ATOM 0 HA THR A 45 -6.828 -12.564 -10.299 1.00 0.00 H new ATOM 0 HB THR A 45 -4.121 -13.406 -10.729 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.304 -13.545 -13.086 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.169 -15.308 -11.916 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.935 -14.976 -10.344 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.733 -14.462 -11.850 1.00 0.00 H new ATOM 720 N PRO A 46 -5.414 -12.695 -8.135 1.00 0.00 N ATOM 721 CA PRO A 46 -4.803 -12.516 -6.817 1.00 0.00 C ATOM 722 C PRO A 46 -3.298 -12.258 -6.896 1.00 0.00 C ATOM 723 O PRO A 46 -2.715 -11.663 -5.990 1.00 0.00 O ATOM 724 CB PRO A 46 -5.087 -13.849 -6.099 1.00 0.00 C ATOM 725 CG PRO A 46 -5.728 -14.738 -7.119 1.00 0.00 C ATOM 726 CD PRO A 46 -6.343 -13.825 -8.137 1.00 0.00 C ATOM 0 HA PRO A 46 -5.209 -11.646 -6.301 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -4.166 -14.292 -5.719 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.745 -13.699 -5.243 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -4.992 -15.396 -7.580 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -6.484 -15.376 -6.660 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.411 -14.295 -9.118 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.352 -13.523 -7.857 1.00 0.00 H new ATOM 734 N GLU A 47 -2.672 -12.716 -7.977 1.00 0.00 N ATOM 735 CA GLU A 47 -1.236 -12.538 -8.160 1.00 0.00 C ATOM 736 C GLU A 47 -0.921 -11.425 -9.162 1.00 0.00 C ATOM 737 O GLU A 47 0.005 -10.641 -8.953 1.00 0.00 O ATOM 738 CB GLU A 47 -0.599 -13.850 -8.624 1.00 0.00 C ATOM 739 CG GLU A 47 0.165 -14.576 -7.529 1.00 0.00 C ATOM 740 CD GLU A 47 0.874 -15.816 -8.036 1.00 0.00 C ATOM 741 OE1 GLU A 47 1.808 -15.674 -8.854 1.00 0.00 O ATOM 742 OE2 GLU A 47 0.495 -16.930 -7.616 1.00 0.00 O ATOM 0 H GLU A 47 -3.136 -13.212 -8.738 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.817 -12.246 -7.197 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.379 -14.507 -9.008 1.00 0.00 H new ATOM 0 HB3 GLU A 47 0.079 -13.642 -9.452 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.897 -13.897 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.526 -14.857 -6.734 1.00 0.00 H new ATOM 749 N GLN A 48 -1.681 -11.365 -10.254 1.00 0.00 N ATOM 750 CA GLN A 48 -1.457 -10.352 -11.280 1.00 0.00 C ATOM 751 C GLN A 48 -2.067 -9.009 -10.887 1.00 0.00 C ATOM 752 O GLN A 48 -1.712 -7.973 -11.446 1.00 0.00 O ATOM 753 CB GLN A 48 -2.043 -10.818 -12.615 1.00 0.00 C ATOM 754 CG GLN A 48 -1.287 -11.981 -13.238 1.00 0.00 C ATOM 755 CD GLN A 48 -0.202 -11.526 -14.193 1.00 0.00 C ATOM 756 OE1 GLN A 48 0.610 -10.662 -13.863 1.00 0.00 O ATOM 757 NE2 GLN A 48 -0.183 -12.107 -15.388 1.00 0.00 N ATOM 0 H GLN A 48 -2.453 -12.003 -10.449 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.380 -10.215 -11.382 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -3.082 -11.110 -12.464 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.045 -9.981 -13.313 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -0.841 -12.584 -12.448 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.989 -12.622 -13.771 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.875 -12.819 -15.620 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.524 -11.841 -16.073 1.00 0.00 H new ATOM 766 N ALA A 49 -2.985 -9.034 -9.930 1.00 0.00 N ATOM 767 CA ALA A 49 -3.643 -7.818 -9.471 1.00 0.00 C ATOM 768 C ALA A 49 -2.631 -6.802 -8.959 1.00 0.00 C ATOM 769 O ALA A 49 -2.672 -5.630 -9.332 1.00 0.00 O ATOM 770 CB ALA A 49 -4.663 -8.150 -8.392 1.00 0.00 C ATOM 0 H ALA A 49 -3.291 -9.884 -9.456 1.00 0.00 H new ATOM 0 HA ALA A 49 -4.161 -7.370 -10.319 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -5.149 -7.234 -8.056 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.412 -8.831 -8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -4.160 -8.624 -7.549 1.00 0.00 H new ATOM 776 N VAL A 50 -1.721 -7.254 -8.104 1.00 0.00 N ATOM 777 CA VAL A 50 -0.700 -6.374 -7.550 1.00 0.00 C ATOM 778 C VAL A 50 0.416 -6.134 -8.563 1.00 0.00 C ATOM 779 O VAL A 50 0.847 -5.002 -8.774 1.00 0.00 O ATOM 780 CB VAL A 50 -0.096 -6.936 -6.234 1.00 0.00 C ATOM 781 CG1 VAL A 50 -1.122 -7.766 -5.475 1.00 0.00 C ATOM 782 CG2 VAL A 50 1.159 -7.760 -6.499 1.00 0.00 C ATOM 0 H VAL A 50 -1.669 -8.220 -7.781 1.00 0.00 H new ATOM 0 HA VAL A 50 -1.191 -5.428 -7.320 1.00 0.00 H new ATOM 0 HB VAL A 50 0.187 -6.082 -5.618 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.674 -8.148 -4.558 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.982 -7.144 -5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.445 -8.601 -6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.553 -8.136 -5.555 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.913 -8.599 -7.150 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.910 -7.134 -6.982 1.00 0.00 H new ATOM 792 N VAL A 51 0.885 -7.219 -9.176 1.00 0.00 N ATOM 793 CA VAL A 51 1.960 -7.148 -10.156 1.00 0.00 C ATOM 794 C VAL A 51 1.636 -6.158 -11.267 1.00 0.00 C ATOM 795 O VAL A 51 2.517 -5.446 -11.750 1.00 0.00 O ATOM 796 CB VAL A 51 2.245 -8.533 -10.773 1.00 0.00 C ATOM 797 CG1 VAL A 51 3.427 -8.470 -11.727 1.00 0.00 C ATOM 798 CG2 VAL A 51 2.490 -9.564 -9.680 1.00 0.00 C ATOM 0 H VAL A 51 0.533 -8.162 -9.008 1.00 0.00 H new ATOM 0 HA VAL A 51 2.849 -6.804 -9.627 1.00 0.00 H new ATOM 0 HB VAL A 51 1.368 -8.838 -11.344 1.00 0.00 H new ATOM 0 HG11 VAL A 51 3.607 -9.459 -12.149 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.209 -7.767 -12.531 1.00 0.00 H new ATOM 0 HG13 VAL A 51 4.314 -8.139 -11.186 1.00 0.00 H new ATOM 0 HG21 VAL A 51 2.689 -10.535 -10.134 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.348 -9.261 -9.080 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.608 -9.635 -9.043 1.00 0.00 H new ATOM 808 N ARG A 52 0.371 -6.111 -11.669 1.00 0.00 N ATOM 809 CA ARG A 52 -0.044 -5.198 -12.722 1.00 0.00 C ATOM 810 C ARG A 52 -0.187 -3.783 -12.177 1.00 0.00 C ATOM 811 O ARG A 52 0.384 -2.837 -12.720 1.00 0.00 O ATOM 812 CB ARG A 52 -1.361 -5.655 -13.352 1.00 0.00 C ATOM 813 CG ARG A 52 -1.179 -6.582 -14.542 1.00 0.00 C ATOM 814 CD ARG A 52 -0.293 -7.770 -14.196 1.00 0.00 C ATOM 815 NE ARG A 52 0.124 -8.508 -15.386 1.00 0.00 N ATOM 816 CZ ARG A 52 -0.692 -9.272 -16.110 1.00 0.00 C ATOM 817 NH1 ARG A 52 -1.967 -9.401 -15.769 1.00 0.00 N ATOM 818 NH2 ARG A 52 -0.229 -9.909 -17.177 1.00 0.00 N ATOM 0 H ARG A 52 -0.377 -6.689 -11.285 1.00 0.00 H new ATOM 0 HA ARG A 52 0.726 -5.201 -13.493 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.959 -6.163 -12.595 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.926 -4.778 -13.669 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -2.152 -6.939 -14.878 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.739 -6.028 -15.371 1.00 0.00 H new ATOM 0 HD2 ARG A 52 0.589 -7.420 -13.659 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -0.830 -8.439 -13.524 1.00 0.00 H new ATOM 0 HE ARG A 52 1.098 -8.434 -15.680 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.327 -8.914 -14.949 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.587 -9.987 -16.327 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.751 -9.814 -17.442 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -0.853 -10.494 -17.732 1.00 0.00 H new ATOM 832 N GLU A 53 -0.945 -3.647 -11.096 1.00 0.00 N ATOM 833 CA GLU A 53 -1.153 -2.348 -10.471 1.00 0.00 C ATOM 834 C GLU A 53 0.173 -1.764 -9.992 1.00 0.00 C ATOM 835 O GLU A 53 0.289 -0.558 -9.773 1.00 0.00 O ATOM 836 CB GLU A 53 -2.124 -2.475 -9.296 1.00 0.00 C ATOM 837 CG GLU A 53 -3.104 -1.318 -9.190 1.00 0.00 C ATOM 838 CD GLU A 53 -4.292 -1.473 -10.119 1.00 0.00 C ATOM 839 OE1 GLU A 53 -4.479 -2.579 -10.666 1.00 0.00 O ATOM 840 OE2 GLU A 53 -5.036 -0.486 -10.299 1.00 0.00 O ATOM 0 H GLU A 53 -1.425 -4.420 -10.635 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.582 -1.675 -11.213 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.683 -3.406 -9.396 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.554 -2.543 -8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.459 -1.240 -8.162 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.587 -0.386 -9.420 1.00 0.00 H new ATOM 847 N LEU A 54 1.173 -2.628 -9.827 1.00 0.00 N ATOM 848 CA LEU A 54 2.488 -2.198 -9.370 1.00 0.00 C ATOM 849 C LEU A 54 3.112 -1.213 -10.349 1.00 0.00 C ATOM 850 O LEU A 54 3.651 -0.182 -9.948 1.00 0.00 O ATOM 851 CB LEU A 54 3.402 -3.408 -9.202 1.00 0.00 C ATOM 852 CG LEU A 54 4.129 -3.483 -7.865 1.00 0.00 C ATOM 853 CD1 LEU A 54 3.191 -3.965 -6.767 1.00 0.00 C ATOM 854 CD2 LEU A 54 5.341 -4.386 -7.982 1.00 0.00 C ATOM 0 H LEU A 54 1.095 -3.630 -10.004 1.00 0.00 H new ATOM 0 HA LEU A 54 2.367 -1.697 -8.409 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.808 -4.313 -9.327 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.143 -3.399 -10.002 1.00 0.00 H new ATOM 0 HG LEU A 54 4.469 -2.483 -7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.731 -4.011 -5.821 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.354 -3.273 -6.674 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.815 -4.957 -7.019 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.854 -4.433 -7.021 1.00 0.00 H new ATOM 0 HD22 LEU A 54 5.022 -5.387 -8.273 1.00 0.00 H new ATOM 0 HD23 LEU A 54 6.020 -3.988 -8.736 1.00 0.00 H new ATOM 866 N GLN A 55 3.023 -1.528 -11.636 1.00 0.00 N ATOM 867 CA GLN A 55 3.569 -0.658 -12.667 1.00 0.00 C ATOM 868 C GLN A 55 2.746 0.620 -12.751 1.00 0.00 C ATOM 869 O GLN A 55 3.258 1.687 -13.088 1.00 0.00 O ATOM 870 CB GLN A 55 3.573 -1.371 -14.021 1.00 0.00 C ATOM 871 CG GLN A 55 4.121 -0.520 -15.156 1.00 0.00 C ATOM 872 CD GLN A 55 5.030 -1.301 -16.083 1.00 0.00 C ATOM 873 OE1 GLN A 55 4.621 -2.297 -16.679 1.00 0.00 O ATOM 874 NE2 GLN A 55 6.274 -0.851 -16.211 1.00 0.00 N ATOM 0 H GLN A 55 2.579 -2.376 -11.988 1.00 0.00 H new ATOM 0 HA GLN A 55 4.597 -0.406 -12.406 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.167 -2.281 -13.941 1.00 0.00 H new ATOM 0 HB3 GLN A 55 2.555 -1.675 -14.265 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.291 -0.108 -15.730 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.671 0.324 -14.740 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.571 -0.021 -15.698 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.931 -1.336 -16.822 1.00 0.00 H new ATOM 883 N GLU A 56 1.464 0.496 -12.428 1.00 0.00 N ATOM 884 CA GLU A 56 0.551 1.626 -12.450 1.00 0.00 C ATOM 885 C GLU A 56 0.746 2.509 -11.230 1.00 0.00 C ATOM 886 O GLU A 56 0.490 3.710 -11.282 1.00 0.00 O ATOM 887 CB GLU A 56 -0.895 1.134 -12.483 1.00 0.00 C ATOM 888 CG GLU A 56 -1.868 2.128 -13.097 1.00 0.00 C ATOM 889 CD GLU A 56 -3.224 2.114 -12.415 1.00 0.00 C ATOM 890 OE1 GLU A 56 -3.286 1.758 -11.218 1.00 0.00 O ATOM 891 OE2 GLU A 56 -4.224 2.459 -13.080 1.00 0.00 O ATOM 0 H GLU A 56 1.033 -0.385 -12.146 1.00 0.00 H new ATOM 0 HA GLU A 56 0.764 2.209 -13.346 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.939 0.202 -13.046 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.215 0.907 -11.466 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.445 3.131 -13.035 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.995 1.900 -14.155 1.00 0.00 H new ATOM 898 N GLU A 57 1.172 1.908 -10.121 1.00 0.00 N ATOM 899 CA GLU A 57 1.362 2.662 -8.891 1.00 0.00 C ATOM 900 C GLU A 57 2.837 2.836 -8.523 1.00 0.00 C ATOM 901 O GLU A 57 3.156 3.360 -7.456 1.00 0.00 O ATOM 902 CB GLU A 57 0.593 2.020 -7.742 1.00 0.00 C ATOM 903 CG GLU A 57 -0.678 2.779 -7.392 1.00 0.00 C ATOM 904 CD GLU A 57 -1.933 2.020 -7.770 1.00 0.00 C ATOM 905 OE1 GLU A 57 -2.027 0.822 -7.434 1.00 0.00 O ATOM 906 OE2 GLU A 57 -2.821 2.627 -8.403 1.00 0.00 O ATOM 0 H GLU A 57 1.389 0.914 -10.052 1.00 0.00 H new ATOM 0 HA GLU A 57 0.964 3.661 -9.071 1.00 0.00 H new ATOM 0 HB2 GLU A 57 0.337 0.995 -8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.236 1.970 -6.863 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.691 2.985 -6.322 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -0.673 3.743 -7.902 1.00 0.00 H new ATOM 913 N VAL A 58 3.732 2.416 -9.411 1.00 0.00 N ATOM 914 CA VAL A 58 5.162 2.552 -9.167 1.00 0.00 C ATOM 915 C VAL A 58 5.847 3.115 -10.401 1.00 0.00 C ATOM 916 O VAL A 58 6.669 4.027 -10.308 1.00 0.00 O ATOM 917 CB VAL A 58 5.810 1.201 -8.800 1.00 0.00 C ATOM 918 CG1 VAL A 58 7.281 1.381 -8.466 1.00 0.00 C ATOM 919 CG2 VAL A 58 5.080 0.551 -7.637 1.00 0.00 C ATOM 0 H VAL A 58 3.493 1.981 -10.302 1.00 0.00 H new ATOM 0 HA VAL A 58 5.288 3.232 -8.324 1.00 0.00 H new ATOM 0 HB VAL A 58 5.731 0.544 -9.667 1.00 0.00 H new ATOM 0 HG11 VAL A 58 7.717 0.415 -8.210 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.802 1.797 -9.328 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.381 2.060 -7.619 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.554 -0.400 -7.396 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.122 1.208 -6.768 1.00 0.00 H new ATOM 0 HG23 VAL A 58 4.039 0.378 -7.911 1.00 0.00 H new ATOM 929 N GLY A 59 5.479 2.579 -11.559 1.00 0.00 N ATOM 930 CA GLY A 59 6.035 3.040 -12.814 1.00 0.00 C ATOM 931 C GLY A 59 7.511 2.745 -12.986 1.00 0.00 C ATOM 932 O GLY A 59 7.961 2.402 -14.080 1.00 0.00 O ATOM 0 H GLY A 59 4.798 1.825 -11.649 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.486 2.577 -13.634 1.00 0.00 H new ATOM 0 HA3 GLY A 59 5.879 4.116 -12.894 1.00 0.00 H new ATOM 936 N ILE A 60 8.260 2.887 -11.914 1.00 0.00 N ATOM 937 CA ILE A 60 9.692 2.649 -11.939 1.00 0.00 C ATOM 938 C ILE A 60 10.006 1.161 -11.916 1.00 0.00 C ATOM 939 O ILE A 60 9.106 0.321 -11.930 1.00 0.00 O ATOM 940 CB ILE A 60 10.433 3.321 -10.755 1.00 0.00 C ATOM 941 CG1 ILE A 60 9.504 3.622 -9.577 1.00 0.00 C ATOM 942 CG2 ILE A 60 11.135 4.588 -11.214 1.00 0.00 C ATOM 943 CD1 ILE A 60 10.213 3.575 -8.240 1.00 0.00 C ATOM 0 H ILE A 60 7.898 3.169 -11.003 1.00 0.00 H new ATOM 0 HA ILE A 60 10.045 3.094 -12.869 1.00 0.00 H new ATOM 0 HB ILE A 60 11.178 2.608 -10.401 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.061 4.609 -9.713 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.685 2.903 -9.574 1.00 0.00 H new ATOM 0 HG21 ILE A 60 11.649 5.045 -10.369 1.00 0.00 H new ATOM 0 HG22 ILE A 60 11.860 4.342 -11.990 1.00 0.00 H new ATOM 0 HG23 ILE A 60 10.400 5.287 -11.613 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.503 3.797 -7.443 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.633 2.581 -8.086 1.00 0.00 H new ATOM 0 HD13 ILE A 60 11.015 4.313 -8.227 1.00 0.00 H new ATOM 955 N THR A 61 11.297 0.849 -11.885 1.00 0.00 N ATOM 956 CA THR A 61 11.763 -0.519 -11.859 1.00 0.00 C ATOM 957 C THR A 61 12.442 -0.812 -10.526 1.00 0.00 C ATOM 958 O THR A 61 13.643 -0.597 -10.375 1.00 0.00 O ATOM 959 CB THR A 61 12.754 -0.703 -12.992 1.00 0.00 C ATOM 960 OG1 THR A 61 13.450 0.507 -13.246 1.00 0.00 O ATOM 961 CG2 THR A 61 12.106 -1.135 -14.287 1.00 0.00 C ATOM 0 H THR A 61 12.045 1.543 -11.877 1.00 0.00 H new ATOM 0 HA THR A 61 10.923 -1.204 -11.977 1.00 0.00 H new ATOM 0 HB THR A 61 13.431 -1.491 -12.661 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.087 0.371 -13.978 1.00 0.00 H new ATOM 0 HG21 THR A 61 12.870 -1.248 -15.056 1.00 0.00 H new ATOM 0 HG22 THR A 61 11.596 -2.087 -14.139 1.00 0.00 H new ATOM 0 HG23 THR A 61 11.384 -0.382 -14.602 1.00 0.00 H new ATOM 969 N PRO A 62 11.673 -1.258 -9.522 1.00 0.00 N ATOM 970 CA PRO A 62 12.175 -1.523 -8.192 1.00 0.00 C ATOM 971 C PRO A 62 12.216 -2.995 -7.821 1.00 0.00 C ATOM 972 O PRO A 62 11.343 -3.764 -8.224 1.00 0.00 O ATOM 973 CB PRO A 62 11.077 -0.845 -7.389 1.00 0.00 C ATOM 974 CG PRO A 62 9.821 -1.230 -8.111 1.00 0.00 C ATOM 975 CD PRO A 62 10.219 -1.479 -9.552 1.00 0.00 C ATOM 0 HA PRO A 62 13.202 -1.188 -8.047 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.066 -1.189 -6.355 1.00 0.00 H new ATOM 0 HB3 PRO A 62 11.209 0.237 -7.364 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.377 -2.123 -7.670 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.076 -0.437 -8.045 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.969 -2.490 -9.874 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.718 -0.794 -10.236 1.00 0.00 H new ATOM 983 N GLN A 63 13.182 -3.375 -6.986 1.00 0.00 N ATOM 984 CA GLN A 63 13.230 -4.746 -6.517 1.00 0.00 C ATOM 985 C GLN A 63 12.123 -4.874 -5.489 1.00 0.00 C ATOM 986 O GLN A 63 12.342 -4.771 -4.282 1.00 0.00 O ATOM 987 CB GLN A 63 14.590 -5.077 -5.900 1.00 0.00 C ATOM 988 CG GLN A 63 15.763 -4.578 -6.725 1.00 0.00 C ATOM 989 CD GLN A 63 17.092 -4.751 -6.015 1.00 0.00 C ATOM 990 OE1 GLN A 63 17.185 -5.458 -5.011 1.00 0.00 O ATOM 991 NE2 GLN A 63 18.129 -4.105 -6.533 1.00 0.00 N ATOM 0 H GLN A 63 13.920 -2.767 -6.632 1.00 0.00 H new ATOM 0 HA GLN A 63 13.093 -5.447 -7.341 1.00 0.00 H new ATOM 0 HB2 GLN A 63 14.644 -4.640 -4.903 1.00 0.00 H new ATOM 0 HB3 GLN A 63 14.673 -6.157 -5.780 1.00 0.00 H new ATOM 0 HG2 GLN A 63 15.790 -5.115 -7.673 1.00 0.00 H new ATOM 0 HG3 GLN A 63 15.615 -3.524 -6.959 1.00 0.00 H new ATOM 0 HE21 GLN A 63 18.007 -3.530 -7.366 1.00 0.00 H new ATOM 0 HE22 GLN A 63 19.048 -4.184 -6.098 1.00 0.00 H new ATOM 1000 N HIS A 64 10.921 -5.034 -6.010 1.00 0.00 N ATOM 1001 CA HIS A 64 9.713 -5.108 -5.208 1.00 0.00 C ATOM 1002 C HIS A 64 8.965 -6.390 -5.528 1.00 0.00 C ATOM 1003 O HIS A 64 8.735 -6.698 -6.697 1.00 0.00 O ATOM 1004 CB HIS A 64 8.871 -3.873 -5.545 1.00 0.00 C ATOM 1005 CG HIS A 64 7.427 -3.935 -5.139 1.00 0.00 C ATOM 1006 ND1 HIS A 64 6.912 -4.874 -4.271 1.00 0.00 N ATOM 1007 CD2 HIS A 64 6.382 -3.151 -5.498 1.00 0.00 C ATOM 1008 CE1 HIS A 64 5.617 -4.668 -4.117 1.00 0.00 C ATOM 1009 NE2 HIS A 64 5.269 -3.627 -4.850 1.00 0.00 N ATOM 0 H HIS A 64 10.753 -5.117 -7.013 1.00 0.00 H new ATOM 0 HA HIS A 64 9.941 -5.122 -4.142 1.00 0.00 H new ATOM 0 HB2 HIS A 64 9.326 -3.005 -5.067 1.00 0.00 H new ATOM 0 HB3 HIS A 64 8.919 -3.706 -6.621 1.00 0.00 H new ATOM 0 HD2 HIS A 64 6.418 -2.307 -6.170 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.954 -5.253 -3.496 1.00 0.00 H new ATOM 0 HE2 HIS A 64 4.328 -3.240 -4.923 1.00 0.00 H new ATOM 1018 N PHE A 65 8.607 -7.160 -4.502 1.00 0.00 N ATOM 1019 CA PHE A 65 7.920 -8.414 -4.753 1.00 0.00 C ATOM 1020 C PHE A 65 7.446 -9.115 -3.489 1.00 0.00 C ATOM 1021 O PHE A 65 6.298 -9.550 -3.400 1.00 0.00 O ATOM 1022 CB PHE A 65 8.873 -9.324 -5.498 1.00 0.00 C ATOM 1023 CG PHE A 65 8.192 -10.315 -6.397 1.00 0.00 C ATOM 1024 CD1 PHE A 65 7.335 -11.271 -5.877 1.00 0.00 C ATOM 1025 CD2 PHE A 65 8.406 -10.284 -7.766 1.00 0.00 C ATOM 1026 CE1 PHE A 65 6.704 -12.180 -6.706 1.00 0.00 C ATOM 1027 CE2 PHE A 65 7.776 -11.188 -8.599 1.00 0.00 C ATOM 1028 CZ PHE A 65 6.924 -12.138 -8.069 1.00 0.00 C ATOM 0 H PHE A 65 8.777 -6.943 -3.520 1.00 0.00 H new ATOM 0 HA PHE A 65 7.024 -8.190 -5.332 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.551 -8.713 -6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.484 -9.864 -4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 65 7.158 -11.307 -4.812 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.072 -9.545 -8.186 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.040 -12.922 -6.288 1.00 0.00 H new ATOM 0 HE2 PHE A 65 7.949 -11.152 -9.664 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.431 -12.846 -8.719 1.00 0.00 H new ATOM 1038 N SER A 66 8.350 -9.252 -2.540 1.00 0.00 N ATOM 1039 CA SER A 66 8.071 -9.937 -1.275 1.00 0.00 C ATOM 1040 C SER A 66 6.663 -9.642 -0.765 1.00 0.00 C ATOM 1041 O SER A 66 6.042 -8.658 -1.163 1.00 0.00 O ATOM 1042 CB SER A 66 9.107 -9.549 -0.217 1.00 0.00 C ATOM 1043 OG SER A 66 9.489 -8.191 -0.346 1.00 0.00 O ATOM 0 H SER A 66 9.302 -8.894 -2.615 1.00 0.00 H new ATOM 0 HA SER A 66 8.136 -11.008 -1.465 1.00 0.00 H new ATOM 0 HB2 SER A 66 8.696 -9.721 0.778 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.985 -10.187 -0.314 1.00 0.00 H new ATOM 0 HG SER A 66 8.962 -7.769 -1.056 1.00 0.00 H new ATOM 1049 N LEU A 67 6.161 -10.507 0.113 1.00 0.00 N ATOM 1050 CA LEU A 67 4.825 -10.340 0.673 1.00 0.00 C ATOM 1051 C LEU A 67 4.886 -10.189 2.190 1.00 0.00 C ATOM 1052 O LEU A 67 5.300 -11.104 2.900 1.00 0.00 O ATOM 1053 CB LEU A 67 3.941 -11.532 0.305 1.00 0.00 C ATOM 1054 CG LEU A 67 2.540 -11.509 0.921 1.00 0.00 C ATOM 1055 CD1 LEU A 67 1.513 -12.058 -0.056 1.00 0.00 C ATOM 1056 CD2 LEU A 67 2.519 -12.297 2.221 1.00 0.00 C ATOM 0 H LEU A 67 6.660 -11.330 0.451 1.00 0.00 H new ATOM 0 HA LEU A 67 4.393 -9.432 0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.845 -11.573 -0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.444 -12.448 0.615 1.00 0.00 H new ATOM 0 HG LEU A 67 2.279 -10.474 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.524 -12.032 0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.509 -11.449 -0.960 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.768 -13.086 -0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.516 -12.271 2.646 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.803 -13.331 2.024 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.223 -11.855 2.926 1.00 0.00 H new ATOM 1068 N PHE A 68 4.463 -9.027 2.680 1.00 0.00 N ATOM 1069 CA PHE A 68 4.461 -8.756 4.112 1.00 0.00 C ATOM 1070 C PHE A 68 3.286 -9.464 4.780 1.00 0.00 C ATOM 1071 O PHE A 68 3.462 -10.230 5.727 1.00 0.00 O ATOM 1072 CB PHE A 68 4.408 -7.236 4.354 1.00 0.00 C ATOM 1073 CG PHE A 68 3.535 -6.800 5.505 1.00 0.00 C ATOM 1074 CD1 PHE A 68 2.165 -6.671 5.343 1.00 0.00 C ATOM 1075 CD2 PHE A 68 4.088 -6.509 6.742 1.00 0.00 C ATOM 1076 CE1 PHE A 68 1.363 -6.262 6.390 1.00 0.00 C ATOM 1077 CE2 PHE A 68 3.290 -6.101 7.795 1.00 0.00 C ATOM 1078 CZ PHE A 68 1.925 -5.978 7.618 1.00 0.00 C ATOM 0 H PHE A 68 4.117 -8.259 2.105 1.00 0.00 H new ATOM 0 HA PHE A 68 5.379 -9.141 4.555 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.422 -6.877 4.531 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.052 -6.751 3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.718 -6.893 4.385 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.154 -6.602 6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.297 -6.164 6.248 1.00 0.00 H new ATOM 0 HE2 PHE A 68 3.733 -5.879 8.755 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.299 -5.660 8.439 1.00 0.00 H new ATOM 1088 N GLU A 69 2.088 -9.201 4.273 1.00 0.00 N ATOM 1089 CA GLU A 69 0.877 -9.808 4.806 1.00 0.00 C ATOM 1090 C GLU A 69 -0.316 -9.490 3.912 1.00 0.00 C ATOM 1091 O GLU A 69 -0.428 -8.386 3.386 1.00 0.00 O ATOM 1092 CB GLU A 69 0.614 -9.316 6.231 1.00 0.00 C ATOM 1093 CG GLU A 69 0.368 -10.438 7.226 1.00 0.00 C ATOM 1094 CD GLU A 69 -0.283 -9.950 8.505 1.00 0.00 C ATOM 1095 OE1 GLU A 69 -1.529 -9.860 8.541 1.00 0.00 O ATOM 1096 OE2 GLU A 69 0.452 -9.660 9.473 1.00 0.00 O ATOM 0 H GLU A 69 1.930 -8.568 3.489 1.00 0.00 H new ATOM 0 HA GLU A 69 1.017 -10.889 4.830 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.467 -8.725 6.566 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.250 -8.652 6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.267 -11.195 6.765 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.316 -10.920 7.466 1.00 0.00 H new ATOM 1103 N LYS A 70 -1.207 -10.457 3.748 1.00 0.00 N ATOM 1104 CA LYS A 70 -2.389 -10.264 2.919 1.00 0.00 C ATOM 1105 C LYS A 70 -3.608 -10.912 3.570 1.00 0.00 C ATOM 1106 O LYS A 70 -3.759 -12.133 3.543 1.00 0.00 O ATOM 1107 CB LYS A 70 -2.165 -10.857 1.526 1.00 0.00 C ATOM 1108 CG LYS A 70 -1.729 -12.313 1.549 1.00 0.00 C ATOM 1109 CD LYS A 70 -2.876 -13.247 1.199 1.00 0.00 C ATOM 1110 CE LYS A 70 -2.804 -13.701 -0.250 1.00 0.00 C ATOM 1111 NZ LYS A 70 -4.057 -14.378 -0.683 1.00 0.00 N ATOM 0 H LYS A 70 -1.135 -11.380 4.176 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.569 -9.193 2.822 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -3.087 -10.771 0.951 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.409 -10.268 1.006 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -0.911 -12.460 0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -1.345 -12.563 2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -2.851 -14.117 1.855 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -3.825 -12.741 1.376 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.617 -12.840 -0.891 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.962 -14.381 -0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.822 -15.276 -1.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -4.654 -14.567 0.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -4.571 -13.765 -1.347 1.00 0.00 H new ATOM 1125 N LEU A 71 -4.471 -10.090 4.159 1.00 0.00 N ATOM 1126 CA LEU A 71 -5.670 -10.596 4.821 1.00 0.00 C ATOM 1127 C LEU A 71 -6.930 -10.193 4.062 1.00 0.00 C ATOM 1128 O LEU A 71 -6.912 -9.262 3.257 1.00 0.00 O ATOM 1129 CB LEU A 71 -5.741 -10.083 6.262 1.00 0.00 C ATOM 1130 CG LEU A 71 -5.507 -8.581 6.432 1.00 0.00 C ATOM 1131 CD1 LEU A 71 -6.650 -7.789 5.814 1.00 0.00 C ATOM 1132 CD2 LEU A 71 -5.345 -8.231 7.906 1.00 0.00 C ATOM 0 H LEU A 71 -4.364 -9.076 4.192 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.611 -11.684 4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -6.721 -10.330 6.671 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.003 -10.619 6.858 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.587 -8.314 5.913 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.466 -6.723 5.945 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -6.718 -8.018 4.750 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.586 -8.058 6.304 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.179 -7.159 8.009 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.248 -8.513 8.448 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.492 -8.771 8.317 1.00 0.00 H new ATOM 1144 N GLU A 72 -8.021 -10.904 4.326 1.00 0.00 N ATOM 1145 CA GLU A 72 -9.291 -10.630 3.674 1.00 0.00 C ATOM 1146 C GLU A 72 -10.432 -10.642 4.690 1.00 0.00 C ATOM 1147 O GLU A 72 -10.800 -11.693 5.214 1.00 0.00 O ATOM 1148 CB GLU A 72 -9.543 -11.666 2.573 1.00 0.00 C ATOM 1149 CG GLU A 72 -11.006 -11.821 2.189 1.00 0.00 C ATOM 1150 CD GLU A 72 -11.190 -12.481 0.837 1.00 0.00 C ATOM 1151 OE1 GLU A 72 -10.242 -13.144 0.366 1.00 0.00 O ATOM 1152 OE2 GLU A 72 -12.282 -12.335 0.249 1.00 0.00 O ATOM 0 H GLU A 72 -8.048 -11.677 4.991 1.00 0.00 H new ATOM 0 HA GLU A 72 -9.248 -9.638 3.225 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.974 -11.384 1.687 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.161 -12.632 2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -11.516 -12.412 2.950 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -11.480 -10.840 2.177 1.00 0.00 H new ATOM 1159 N TYR A 73 -10.988 -9.465 4.960 1.00 0.00 N ATOM 1160 CA TYR A 73 -12.089 -9.336 5.908 1.00 0.00 C ATOM 1161 C TYR A 73 -13.236 -8.549 5.284 1.00 0.00 C ATOM 1162 O TYR A 73 -13.052 -7.419 4.835 1.00 0.00 O ATOM 1163 CB TYR A 73 -11.613 -8.642 7.186 1.00 0.00 C ATOM 1164 CG TYR A 73 -11.136 -7.224 6.963 1.00 0.00 C ATOM 1165 CD1 TYR A 73 -9.978 -6.965 6.242 1.00 0.00 C ATOM 1166 CD2 TYR A 73 -11.845 -6.144 7.476 1.00 0.00 C ATOM 1167 CE1 TYR A 73 -9.538 -5.671 6.037 1.00 0.00 C ATOM 1168 CE2 TYR A 73 -11.412 -4.847 7.275 1.00 0.00 C ATOM 1169 CZ TYR A 73 -10.259 -4.617 6.555 1.00 0.00 C ATOM 1170 OH TYR A 73 -9.826 -3.326 6.354 1.00 0.00 O ATOM 0 H TYR A 73 -10.694 -8.586 4.535 1.00 0.00 H new ATOM 0 HA TYR A 73 -12.444 -10.335 6.162 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -12.428 -8.633 7.910 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.803 -9.224 7.626 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -9.411 -7.789 5.834 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -12.748 -6.321 8.041 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.635 -5.487 5.474 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -11.974 -4.018 7.680 1.00 0.00 H new ATOM 0 HH TYR A 73 -10.448 -2.702 6.783 1.00 0.00 H new ATOM 1180 N GLU A 74 -14.421 -9.151 5.253 1.00 0.00 N ATOM 1181 CA GLU A 74 -15.586 -8.495 4.671 1.00 0.00 C ATOM 1182 C GLU A 74 -16.603 -8.108 5.737 1.00 0.00 C ATOM 1183 O GLU A 74 -16.948 -8.906 6.608 1.00 0.00 O ATOM 1184 CB GLU A 74 -16.251 -9.399 3.631 1.00 0.00 C ATOM 1185 CG GLU A 74 -16.560 -10.796 4.142 1.00 0.00 C ATOM 1186 CD GLU A 74 -16.954 -11.749 3.030 1.00 0.00 C ATOM 1187 OE1 GLU A 74 -17.983 -11.496 2.369 1.00 0.00 O ATOM 1188 OE2 GLU A 74 -16.235 -12.749 2.822 1.00 0.00 O ATOM 0 H GLU A 74 -14.599 -10.085 5.621 1.00 0.00 H new ATOM 0 HA GLU A 74 -15.235 -7.584 4.186 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -17.177 -8.932 3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -15.600 -9.476 2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -15.687 -11.190 4.661 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -17.367 -10.742 4.872 1.00 0.00 H new ATOM 1195 N PHE A 75 -17.091 -6.878 5.640 1.00 0.00 N ATOM 1196 CA PHE A 75 -18.084 -6.363 6.563 1.00 0.00 C ATOM 1197 C PHE A 75 -19.448 -6.975 6.253 1.00 0.00 C ATOM 1198 O PHE A 75 -19.651 -7.534 5.175 1.00 0.00 O ATOM 1199 CB PHE A 75 -18.148 -4.838 6.466 1.00 0.00 C ATOM 1200 CG PHE A 75 -17.375 -4.130 7.542 1.00 0.00 C ATOM 1201 CD1 PHE A 75 -15.990 -4.099 7.511 1.00 0.00 C ATOM 1202 CD2 PHE A 75 -18.032 -3.494 8.584 1.00 0.00 C ATOM 1203 CE1 PHE A 75 -15.275 -3.448 8.497 1.00 0.00 C ATOM 1204 CE2 PHE A 75 -17.322 -2.841 9.574 1.00 0.00 C ATOM 1205 CZ PHE A 75 -15.941 -2.819 9.531 1.00 0.00 C ATOM 0 H PHE A 75 -16.808 -6.214 4.920 1.00 0.00 H new ATOM 0 HA PHE A 75 -17.802 -6.635 7.580 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -17.766 -4.529 5.493 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -19.191 -4.523 6.513 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -15.463 -4.590 6.706 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -19.111 -3.509 8.623 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -14.196 -3.431 8.460 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -17.846 -2.349 10.380 1.00 0.00 H new ATOM 0 HZ PHE A 75 -15.384 -2.311 10.304 1.00 0.00 H new ATOM 1215 N PRO A 76 -20.403 -6.880 7.194 1.00 0.00 N ATOM 1216 CA PRO A 76 -21.757 -7.418 7.034 1.00 0.00 C ATOM 1217 C PRO A 76 -22.301 -7.265 5.618 1.00 0.00 C ATOM 1218 O PRO A 76 -23.114 -8.068 5.160 1.00 0.00 O ATOM 1219 CB PRO A 76 -22.590 -6.590 8.032 1.00 0.00 C ATOM 1220 CG PRO A 76 -21.627 -5.634 8.676 1.00 0.00 C ATOM 1221 CD PRO A 76 -20.263 -6.228 8.492 1.00 0.00 C ATOM 0 HA PRO A 76 -21.785 -8.492 7.218 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -23.391 -6.054 7.523 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -23.060 -7.233 8.777 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -21.688 -4.649 8.213 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -21.856 -5.504 9.734 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -19.482 -5.468 8.487 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -20.014 -6.936 9.282 1.00 0.00 H new ATOM 1229 N ASP A 77 -21.841 -6.233 4.938 1.00 0.00 N ATOM 1230 CA ASP A 77 -22.266 -5.959 3.568 1.00 0.00 C ATOM 1231 C ASP A 77 -21.089 -5.501 2.709 1.00 0.00 C ATOM 1232 O ASP A 77 -20.976 -5.876 1.542 1.00 0.00 O ATOM 1233 CB ASP A 77 -23.366 -4.896 3.557 1.00 0.00 C ATOM 1234 CG ASP A 77 -24.067 -4.804 2.217 1.00 0.00 C ATOM 1235 OD1 ASP A 77 -25.038 -5.559 2.002 1.00 0.00 O ATOM 1236 OD2 ASP A 77 -23.645 -3.976 1.382 1.00 0.00 O ATOM 0 H ASP A 77 -21.168 -5.563 5.310 1.00 0.00 H new ATOM 0 HA ASP A 77 -22.659 -6.884 3.146 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -24.098 -5.126 4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -22.933 -3.927 3.805 1.00 0.00 H new ATOM 1241 N ARG A 78 -20.222 -4.681 3.292 1.00 0.00 N ATOM 1242 CA ARG A 78 -19.056 -4.158 2.586 1.00 0.00 C ATOM 1243 C ARG A 78 -17.885 -5.141 2.645 1.00 0.00 C ATOM 1244 O ARG A 78 -17.221 -5.266 3.670 1.00 0.00 O ATOM 1245 CB ARG A 78 -18.648 -2.817 3.199 1.00 0.00 C ATOM 1246 CG ARG A 78 -17.863 -1.922 2.254 1.00 0.00 C ATOM 1247 CD ARG A 78 -18.083 -0.450 2.570 1.00 0.00 C ATOM 1248 NE ARG A 78 -17.005 0.104 3.390 1.00 0.00 N ATOM 1249 CZ ARG A 78 -16.962 0.021 4.719 1.00 0.00 C ATOM 1250 NH1 ARG A 78 -17.926 -0.600 5.388 1.00 0.00 N ATOM 1251 NH2 ARG A 78 -15.948 0.562 5.384 1.00 0.00 N ATOM 0 H ARG A 78 -20.305 -4.362 4.257 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.321 -4.017 1.538 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.545 -2.289 3.523 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.048 -3.003 4.090 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -16.801 -2.156 2.327 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -18.164 -2.124 1.226 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -18.156 0.113 1.640 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -19.033 -0.330 3.091 1.00 0.00 H new ATOM 0 HE ARG A 78 -16.240 0.583 2.915 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -18.708 -1.019 4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -17.885 -0.659 6.405 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.203 1.040 4.877 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.914 0.499 6.401 1.00 0.00 H new ATOM 1265 N HIS A 79 -17.631 -5.832 1.537 1.00 0.00 N ATOM 1266 CA HIS A 79 -16.537 -6.795 1.476 1.00 0.00 C ATOM 1267 C HIS A 79 -15.246 -6.113 1.027 1.00 0.00 C ATOM 1268 O HIS A 79 -15.132 -5.672 -0.115 1.00 0.00 O ATOM 1269 CB HIS A 79 -16.897 -7.943 0.524 1.00 0.00 C ATOM 1270 CG HIS A 79 -15.732 -8.799 0.121 1.00 0.00 C ATOM 1271 ND1 HIS A 79 -14.551 -8.850 0.832 1.00 0.00 N ATOM 1272 CD2 HIS A 79 -15.572 -9.640 -0.928 1.00 0.00 C ATOM 1273 CE1 HIS A 79 -13.716 -9.684 0.237 1.00 0.00 C ATOM 1274 NE2 HIS A 79 -14.312 -10.177 -0.833 1.00 0.00 N ATOM 0 H HIS A 79 -18.166 -5.743 0.673 1.00 0.00 H new ATOM 0 HA HIS A 79 -16.378 -7.205 2.473 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -17.648 -8.573 1.001 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -17.354 -7.526 -0.373 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -16.301 -9.850 -1.697 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -12.716 -9.922 0.569 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -13.903 -10.848 -1.483 1.00 0.00 H new ATOM 1283 N ILE A 80 -14.280 -6.029 1.935 1.00 0.00 N ATOM 1284 CA ILE A 80 -13.006 -5.402 1.636 1.00 0.00 C ATOM 1285 C ILE A 80 -11.856 -6.395 1.773 1.00 0.00 C ATOM 1286 O ILE A 80 -11.712 -7.060 2.799 1.00 0.00 O ATOM 1287 CB ILE A 80 -12.743 -4.197 2.569 1.00 0.00 C ATOM 1288 CG1 ILE A 80 -11.288 -3.745 2.463 1.00 0.00 C ATOM 1289 CG2 ILE A 80 -13.080 -4.557 4.008 1.00 0.00 C ATOM 1290 CD1 ILE A 80 -10.952 -2.558 3.338 1.00 0.00 C ATOM 0 H ILE A 80 -14.359 -6.390 2.886 1.00 0.00 H new ATOM 0 HA ILE A 80 -13.059 -5.053 0.605 1.00 0.00 H new ATOM 0 HB ILE A 80 -13.385 -3.373 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.638 -4.578 2.731 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.070 -3.493 1.425 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -12.889 -3.698 4.652 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -14.131 -4.836 4.077 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -12.461 -5.395 4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.902 -2.296 3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -11.575 -1.710 3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.136 -2.812 4.382 1.00 0.00 H new ATOM 1302 N THR A 81 -11.027 -6.468 0.742 1.00 0.00 N ATOM 1303 CA THR A 81 -9.870 -7.350 0.750 1.00 0.00 C ATOM 1304 C THR A 81 -8.600 -6.512 0.741 1.00 0.00 C ATOM 1305 O THR A 81 -8.368 -5.737 -0.187 1.00 0.00 O ATOM 1306 CB THR A 81 -9.902 -8.284 -0.464 1.00 0.00 C ATOM 1307 OG1 THR A 81 -10.974 -7.951 -1.326 1.00 0.00 O ATOM 1308 CG2 THR A 81 -10.051 -9.742 -0.091 1.00 0.00 C ATOM 0 H THR A 81 -11.135 -5.924 -0.114 1.00 0.00 H new ATOM 0 HA THR A 81 -9.891 -7.963 1.651 1.00 0.00 H new ATOM 0 HB THR A 81 -8.941 -8.147 -0.959 1.00 0.00 H new ATOM 0 HG1 THR A 81 -11.486 -8.759 -1.539 1.00 0.00 H new ATOM 0 HG21 THR A 81 -10.067 -10.349 -0.996 1.00 0.00 H new ATOM 0 HG22 THR A 81 -9.212 -10.045 0.535 1.00 0.00 H new ATOM 0 HG23 THR A 81 -10.982 -9.884 0.457 1.00 0.00 H new ATOM 1316 N LEU A 82 -7.785 -6.644 1.784 1.00 0.00 N ATOM 1317 CA LEU A 82 -6.559 -5.861 1.875 1.00 0.00 C ATOM 1318 C LEU A 82 -5.316 -6.736 1.801 1.00 0.00 C ATOM 1319 O LEU A 82 -5.047 -7.536 2.697 1.00 0.00 O ATOM 1320 CB LEU A 82 -6.546 -5.048 3.172 1.00 0.00 C ATOM 1321 CG LEU A 82 -6.144 -3.580 3.010 1.00 0.00 C ATOM 1322 CD1 LEU A 82 -7.378 -2.697 2.898 1.00 0.00 C ATOM 1323 CD2 LEU A 82 -5.273 -3.132 4.174 1.00 0.00 C ATOM 0 H LEU A 82 -7.949 -7.277 2.567 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.541 -5.186 1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.539 -5.090 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.860 -5.522 3.874 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.566 -3.483 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.072 -1.657 2.783 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.965 -3.000 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -7.982 -2.800 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.997 -2.086 4.041 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.825 -3.246 5.107 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.371 -3.743 4.210 1.00 0.00 H new ATOM 1335 N TRP A 83 -4.553 -6.559 0.728 1.00 0.00 N ATOM 1336 CA TRP A 83 -3.321 -7.312 0.537 1.00 0.00 C ATOM 1337 C TRP A 83 -2.117 -6.395 0.684 1.00 0.00 C ATOM 1338 O TRP A 83 -1.984 -5.407 -0.038 1.00 0.00 O ATOM 1339 CB TRP A 83 -3.292 -7.974 -0.843 1.00 0.00 C ATOM 1340 CG TRP A 83 -4.363 -8.999 -1.031 1.00 0.00 C ATOM 1341 CD1 TRP A 83 -5.628 -8.949 -0.535 1.00 0.00 C ATOM 1342 CD2 TRP A 83 -4.265 -10.225 -1.765 1.00 0.00 C ATOM 1343 NE1 TRP A 83 -6.329 -10.065 -0.913 1.00 0.00 N ATOM 1344 CE2 TRP A 83 -5.514 -10.867 -1.669 1.00 0.00 C ATOM 1345 CE3 TRP A 83 -3.244 -10.842 -2.494 1.00 0.00 C ATOM 1346 CZ2 TRP A 83 -5.769 -12.094 -2.274 1.00 0.00 C ATOM 1347 CZ3 TRP A 83 -3.499 -12.062 -3.093 1.00 0.00 C ATOM 1348 CH2 TRP A 83 -4.752 -12.675 -2.981 1.00 0.00 C ATOM 0 H TRP A 83 -4.766 -5.901 -0.022 1.00 0.00 H new ATOM 0 HA TRP A 83 -3.281 -8.090 1.299 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -3.396 -7.205 -1.609 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -2.320 -8.443 -0.993 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -6.023 -8.146 0.069 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -7.299 -10.266 -0.671 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -2.275 -10.375 -2.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -6.735 -12.570 -2.189 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -2.718 -12.550 -3.657 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.920 -13.627 -3.463 1.00 0.00 H new ATOM 1359 N PHE A 84 -1.241 -6.733 1.617 1.00 0.00 N ATOM 1360 CA PHE A 84 -0.039 -5.939 1.856 1.00 0.00 C ATOM 1361 C PHE A 84 1.212 -6.720 1.458 1.00 0.00 C ATOM 1362 O PHE A 84 1.559 -7.723 2.082 1.00 0.00 O ATOM 1363 CB PHE A 84 0.042 -5.496 3.324 1.00 0.00 C ATOM 1364 CG PHE A 84 -0.755 -4.254 3.646 1.00 0.00 C ATOM 1365 CD1 PHE A 84 -1.667 -3.733 2.738 1.00 0.00 C ATOM 1366 CD2 PHE A 84 -0.591 -3.606 4.865 1.00 0.00 C ATOM 1367 CE1 PHE A 84 -2.395 -2.597 3.036 1.00 0.00 C ATOM 1368 CE2 PHE A 84 -1.317 -2.469 5.165 1.00 0.00 C ATOM 1369 CZ PHE A 84 -2.220 -1.965 4.250 1.00 0.00 C ATOM 0 H PHE A 84 -1.336 -7.549 2.221 1.00 0.00 H new ATOM 0 HA PHE A 84 -0.096 -5.045 1.236 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -0.308 -6.312 3.957 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.087 -5.319 3.580 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.809 -4.222 1.786 1.00 0.00 H new ATOM 0 HD2 PHE A 84 0.112 -3.996 5.586 1.00 0.00 H new ATOM 0 HE1 PHE A 84 -3.101 -2.204 2.319 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.178 -1.975 6.115 1.00 0.00 H new ATOM 0 HZ PHE A 84 -2.789 -1.077 4.484 1.00 0.00 H new ATOM 1379 N TRP A 85 1.875 -6.257 0.400 1.00 0.00 N ATOM 1380 CA TRP A 85 3.079 -6.909 -0.110 1.00 0.00 C ATOM 1381 C TRP A 85 4.347 -6.189 0.344 1.00 0.00 C ATOM 1382 O TRP A 85 4.352 -4.975 0.542 1.00 0.00 O ATOM 1383 CB TRP A 85 3.032 -6.977 -1.637 1.00 0.00 C ATOM 1384 CG TRP A 85 1.899 -7.810 -2.155 1.00 0.00 C ATOM 1385 CD1 TRP A 85 0.568 -7.621 -1.918 1.00 0.00 C ATOM 1386 CD2 TRP A 85 1.998 -8.966 -2.994 1.00 0.00 C ATOM 1387 NE1 TRP A 85 -0.167 -8.588 -2.559 1.00 0.00 N ATOM 1388 CE2 TRP A 85 0.687 -9.425 -3.227 1.00 0.00 C ATOM 1389 CE3 TRP A 85 3.065 -9.657 -3.573 1.00 0.00 C ATOM 1390 CZ2 TRP A 85 0.418 -10.543 -4.013 1.00 0.00 C ATOM 1391 CZ3 TRP A 85 2.798 -10.766 -4.353 1.00 0.00 C ATOM 1392 CH2 TRP A 85 1.484 -11.199 -4.567 1.00 0.00 C ATOM 0 H TRP A 85 1.596 -5.427 -0.124 1.00 0.00 H new ATOM 0 HA TRP A 85 3.107 -7.920 0.298 1.00 0.00 H new ATOM 0 HB2 TRP A 85 2.945 -5.967 -2.037 1.00 0.00 H new ATOM 0 HB3 TRP A 85 3.973 -7.385 -2.005 1.00 0.00 H new ATOM 0 HD1 TRP A 85 0.153 -6.827 -1.315 1.00 0.00 H new ATOM 0 HE1 TRP A 85 -1.184 -8.670 -2.541 1.00 0.00 H new ATOM 0 HE3 TRP A 85 4.082 -9.330 -3.414 1.00 0.00 H new ATOM 0 HZ2 TRP A 85 -0.595 -10.880 -4.179 1.00 0.00 H new ATOM 0 HZ3 TRP A 85 3.616 -11.307 -4.805 1.00 0.00 H new ATOM 0 HH2 TRP A 85 1.308 -12.069 -5.182 1.00 0.00 H new ATOM 1403 N LEU A 86 5.420 -6.958 0.513 1.00 0.00 N ATOM 1404 CA LEU A 86 6.700 -6.421 0.948 1.00 0.00 C ATOM 1405 C LEU A 86 7.602 -6.087 -0.242 1.00 0.00 C ATOM 1406 O LEU A 86 7.674 -6.832 -1.219 1.00 0.00 O ATOM 1407 CB LEU A 86 7.400 -7.413 1.878 1.00 0.00 C ATOM 1408 CG LEU A 86 8.825 -7.031 2.286 1.00 0.00 C ATOM 1409 CD1 LEU A 86 8.812 -5.808 3.189 1.00 0.00 C ATOM 1410 CD2 LEU A 86 9.512 -8.199 2.976 1.00 0.00 C ATOM 0 H LEU A 86 5.424 -7.965 0.352 1.00 0.00 H new ATOM 0 HA LEU A 86 6.506 -5.496 1.490 1.00 0.00 H new ATOM 0 HB2 LEU A 86 6.799 -7.526 2.780 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.428 -8.387 1.389 1.00 0.00 H new ATOM 0 HG LEU A 86 9.387 -6.785 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 86 9.834 -5.551 3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 86 8.359 -4.970 2.660 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.234 -6.025 4.087 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.524 -7.910 3.259 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.950 -8.476 3.868 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.555 -9.050 2.296 1.00 0.00 H new ATOM 1422 N VAL A 87 8.276 -4.954 -0.137 1.00 0.00 N ATOM 1423 CA VAL A 87 9.185 -4.467 -1.171 1.00 0.00 C ATOM 1424 C VAL A 87 10.574 -4.323 -0.612 1.00 0.00 C ATOM 1425 O VAL A 87 10.730 -4.007 0.566 1.00 0.00 O ATOM 1426 CB VAL A 87 8.757 -3.102 -1.683 1.00 0.00 C ATOM 1427 CG1 VAL A 87 9.652 -2.639 -2.824 1.00 0.00 C ATOM 1428 CG2 VAL A 87 7.299 -3.141 -2.100 1.00 0.00 C ATOM 0 H VAL A 87 8.210 -4.338 0.674 1.00 0.00 H new ATOM 0 HA VAL A 87 9.164 -5.191 -1.985 1.00 0.00 H new ATOM 0 HB VAL A 87 8.864 -2.376 -0.877 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.322 -1.660 -3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 87 10.682 -2.572 -2.474 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.593 -3.353 -3.645 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.999 -2.159 -2.466 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.166 -3.879 -2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.683 -3.413 -1.243 1.00 0.00 H new ATOM 1438 N GLU A 88 11.587 -4.578 -1.424 1.00 0.00 N ATOM 1439 CA GLU A 88 12.943 -4.475 -0.909 1.00 0.00 C ATOM 1440 C GLU A 88 13.755 -3.302 -1.481 1.00 0.00 C ATOM 1441 O GLU A 88 14.705 -2.855 -0.839 1.00 0.00 O ATOM 1442 CB GLU A 88 13.704 -5.785 -1.132 1.00 0.00 C ATOM 1443 CG GLU A 88 12.815 -7.019 -1.150 1.00 0.00 C ATOM 1444 CD GLU A 88 13.600 -8.301 -1.350 1.00 0.00 C ATOM 1445 OE1 GLU A 88 14.488 -8.588 -0.520 1.00 0.00 O ATOM 1446 OE2 GLU A 88 13.324 -9.017 -2.335 1.00 0.00 O ATOM 0 H GLU A 88 11.505 -4.848 -2.404 1.00 0.00 H new ATOM 0 HA GLU A 88 12.830 -4.276 0.157 1.00 0.00 H new ATOM 0 HB2 GLU A 88 14.243 -5.724 -2.077 1.00 0.00 H new ATOM 0 HB3 GLU A 88 14.450 -5.898 -0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 88 12.263 -7.078 -0.212 1.00 0.00 H new ATOM 0 HG3 GLU A 88 12.079 -6.920 -1.948 1.00 0.00 H new ATOM 1453 N ARG A 89 13.422 -2.807 -2.674 1.00 0.00 N ATOM 1454 CA ARG A 89 14.193 -1.706 -3.253 1.00 0.00 C ATOM 1455 C ARG A 89 13.436 -1.032 -4.393 1.00 0.00 C ATOM 1456 O ARG A 89 12.477 -1.590 -4.922 1.00 0.00 O ATOM 1457 CB ARG A 89 15.566 -2.237 -3.714 1.00 0.00 C ATOM 1458 CG ARG A 89 16.128 -1.613 -4.990 1.00 0.00 C ATOM 1459 CD ARG A 89 17.001 -0.406 -4.685 1.00 0.00 C ATOM 1460 NE ARG A 89 17.291 0.376 -5.885 1.00 0.00 N ATOM 1461 CZ ARG A 89 18.170 0.007 -6.815 1.00 0.00 C ATOM 1462 NH1 ARG A 89 18.841 -1.131 -6.689 1.00 0.00 N ATOM 1463 NH2 ARG A 89 18.378 0.778 -7.873 1.00 0.00 N ATOM 0 H ARG A 89 12.645 -3.140 -3.245 1.00 0.00 H new ATOM 0 HA ARG A 89 14.348 -0.941 -2.493 1.00 0.00 H new ATOM 0 HB2 ARG A 89 16.284 -2.080 -2.909 1.00 0.00 H new ATOM 0 HB3 ARG A 89 15.486 -3.314 -3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 89 16.711 -2.357 -5.533 1.00 0.00 H new ATOM 0 HG3 ARG A 89 15.307 -1.314 -5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 89 16.501 0.227 -3.952 1.00 0.00 H new ATOM 0 HD3 ARG A 89 17.936 -0.739 -4.234 1.00 0.00 H new ATOM 0 HE ARG A 89 16.791 1.255 -6.018 1.00 0.00 H new ATOM 0 HH11 ARG A 89 18.685 -1.728 -5.877 1.00 0.00 H new ATOM 0 HH12 ARG A 89 19.513 -1.409 -7.404 1.00 0.00 H new ATOM 0 HH21 ARG A 89 17.865 1.654 -7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 89 19.051 0.496 -8.585 1.00 0.00 H new ATOM 1477 N TRP A 90 13.891 0.158 -4.785 1.00 0.00 N ATOM 1478 CA TRP A 90 13.272 0.885 -5.885 1.00 0.00 C ATOM 1479 C TRP A 90 14.244 1.888 -6.505 1.00 0.00 C ATOM 1480 O TRP A 90 14.788 2.751 -5.816 1.00 0.00 O ATOM 1481 CB TRP A 90 11.975 1.562 -5.420 1.00 0.00 C ATOM 1482 CG TRP A 90 12.127 2.965 -4.919 1.00 0.00 C ATOM 1483 CD1 TRP A 90 12.436 4.073 -5.653 1.00 0.00 C ATOM 1484 CD2 TRP A 90 11.937 3.409 -3.575 1.00 0.00 C ATOM 1485 NE1 TRP A 90 12.454 5.181 -4.843 1.00 0.00 N ATOM 1486 CE2 TRP A 90 12.149 4.800 -3.564 1.00 0.00 C ATOM 1487 CE3 TRP A 90 11.609 2.763 -2.380 1.00 0.00 C ATOM 1488 CZ2 TRP A 90 12.038 5.558 -2.405 1.00 0.00 C ATOM 1489 CZ3 TRP A 90 11.500 3.519 -1.228 1.00 0.00 C ATOM 1490 CH2 TRP A 90 11.711 4.905 -1.250 1.00 0.00 C ATOM 0 H TRP A 90 14.684 0.635 -4.356 1.00 0.00 H new ATOM 0 HA TRP A 90 13.013 0.169 -6.665 1.00 0.00 H new ATOM 0 HB2 TRP A 90 11.269 1.565 -6.250 1.00 0.00 H new ATOM 0 HB3 TRP A 90 11.533 0.957 -4.628 1.00 0.00 H new ATOM 0 HD1 TRP A 90 12.637 4.078 -6.714 1.00 0.00 H new ATOM 0 HE1 TRP A 90 12.661 6.133 -5.145 1.00 0.00 H new ATOM 0 HE3 TRP A 90 11.444 1.696 -2.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 12.204 6.625 -2.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 11.248 3.034 -0.296 1.00 0.00 H new ATOM 0 HH2 TRP A 90 11.613 5.469 -0.334 1.00 0.00 H new ATOM 1501 N GLU A 91 14.464 1.757 -7.814 1.00 0.00 N ATOM 1502 CA GLU A 91 15.377 2.645 -8.526 1.00 0.00 C ATOM 1503 C GLU A 91 14.740 4.009 -8.765 1.00 0.00 C ATOM 1504 O GLU A 91 13.519 4.128 -8.871 1.00 0.00 O ATOM 1505 CB GLU A 91 15.787 2.020 -9.862 1.00 0.00 C ATOM 1506 CG GLU A 91 16.764 2.871 -10.657 1.00 0.00 C ATOM 1507 CD GLU A 91 17.751 2.038 -11.450 1.00 0.00 C ATOM 1508 OE1 GLU A 91 18.252 1.032 -10.903 1.00 0.00 O ATOM 1509 OE2 GLU A 91 18.025 2.391 -12.616 1.00 0.00 O ATOM 0 H GLU A 91 14.023 1.047 -8.399 1.00 0.00 H new ATOM 0 HA GLU A 91 16.263 2.784 -7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.236 1.045 -9.675 1.00 0.00 H new ATOM 0 HB3 GLU A 91 14.894 1.849 -10.463 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.208 3.515 -11.338 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.310 3.523 -9.975 1.00 0.00 H new ATOM 1516 N GLY A 92 15.577 5.039 -8.849 1.00 0.00 N ATOM 1517 CA GLY A 92 15.081 6.385 -9.074 1.00 0.00 C ATOM 1518 C GLY A 92 14.065 6.812 -8.033 1.00 0.00 C ATOM 1519 O GLY A 92 14.352 6.805 -6.837 1.00 0.00 O ATOM 0 H GLY A 92 16.591 4.965 -8.765 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.918 7.083 -9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.628 6.441 -10.064 1.00 0.00 H new ATOM 1523 N GLU A 93 12.874 7.180 -8.491 1.00 0.00 N ATOM 1524 CA GLU A 93 11.810 7.610 -7.592 1.00 0.00 C ATOM 1525 C GLU A 93 10.497 6.908 -7.932 1.00 0.00 C ATOM 1526 O GLU A 93 10.231 6.609 -9.097 1.00 0.00 O ATOM 1527 CB GLU A 93 11.628 9.127 -7.671 1.00 0.00 C ATOM 1528 CG GLU A 93 12.935 9.899 -7.633 1.00 0.00 C ATOM 1529 CD GLU A 93 12.776 11.337 -8.087 1.00 0.00 C ATOM 1530 OE1 GLU A 93 12.403 12.186 -7.250 1.00 0.00 O ATOM 1531 OE2 GLU A 93 13.025 11.614 -9.279 1.00 0.00 O ATOM 0 H GLU A 93 12.621 7.189 -9.479 1.00 0.00 H new ATOM 0 HA GLU A 93 12.094 7.340 -6.575 1.00 0.00 H new ATOM 0 HB2 GLU A 93 11.097 9.373 -8.590 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.999 9.453 -6.842 1.00 0.00 H new ATOM 0 HG2 GLU A 93 13.332 9.884 -6.618 1.00 0.00 H new ATOM 0 HG3 GLU A 93 13.666 9.400 -8.269 1.00 0.00 H new ATOM 1538 N PRO A 94 9.648 6.645 -6.922 1.00 0.00 N ATOM 1539 CA PRO A 94 8.357 5.991 -7.122 1.00 0.00 C ATOM 1540 C PRO A 94 7.337 6.955 -7.702 1.00 0.00 C ATOM 1541 O PRO A 94 7.149 8.052 -7.176 1.00 0.00 O ATOM 1542 CB PRO A 94 7.939 5.555 -5.704 1.00 0.00 C ATOM 1543 CG PRO A 94 9.086 5.903 -4.810 1.00 0.00 C ATOM 1544 CD PRO A 94 9.858 6.980 -5.513 1.00 0.00 C ATOM 0 HA PRO A 94 8.419 5.159 -7.824 1.00 0.00 H new ATOM 0 HB2 PRO A 94 7.030 6.068 -5.390 1.00 0.00 H new ATOM 0 HB3 PRO A 94 7.729 4.486 -5.671 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.731 6.250 -3.840 1.00 0.00 H new ATOM 0 HG3 PRO A 94 9.714 5.031 -4.627 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.482 7.974 -5.271 1.00 0.00 H new ATOM 0 HD3 PRO A 94 10.914 6.965 -5.244 1.00 0.00 H new ATOM 1552 N TRP A 95 6.676 6.558 -8.784 1.00 0.00 N ATOM 1553 CA TRP A 95 5.687 7.430 -9.396 1.00 0.00 C ATOM 1554 C TRP A 95 4.401 6.698 -9.745 1.00 0.00 C ATOM 1555 O TRP A 95 3.340 7.003 -9.202 1.00 0.00 O ATOM 1556 CB TRP A 95 6.246 8.116 -10.648 1.00 0.00 C ATOM 1557 CG TRP A 95 6.925 7.207 -11.642 1.00 0.00 C ATOM 1558 CD1 TRP A 95 8.239 6.848 -11.653 1.00 0.00 C ATOM 1559 CD2 TRP A 95 6.331 6.569 -12.787 1.00 0.00 C ATOM 1560 NE1 TRP A 95 8.509 6.047 -12.741 1.00 0.00 N ATOM 1561 CE2 TRP A 95 7.355 5.863 -13.451 1.00 0.00 C ATOM 1562 CE3 TRP A 95 5.037 6.527 -13.315 1.00 0.00 C ATOM 1563 CZ2 TRP A 95 7.125 5.138 -14.619 1.00 0.00 C ATOM 1564 CZ3 TRP A 95 4.810 5.801 -14.470 1.00 0.00 C ATOM 1565 CH2 TRP A 95 5.851 5.120 -15.113 1.00 0.00 C ATOM 0 H TRP A 95 6.804 5.657 -9.245 1.00 0.00 H new ATOM 0 HA TRP A 95 5.449 8.187 -8.649 1.00 0.00 H new ATOM 0 HB2 TRP A 95 5.429 8.631 -11.153 1.00 0.00 H new ATOM 0 HB3 TRP A 95 6.959 8.879 -10.335 1.00 0.00 H new ATOM 0 HD1 TRP A 95 8.966 7.149 -10.913 1.00 0.00 H new ATOM 0 HE1 TRP A 95 9.421 5.655 -12.978 1.00 0.00 H new ATOM 0 HE3 TRP A 95 4.228 7.053 -12.829 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 7.925 4.609 -15.116 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 3.813 5.759 -14.883 1.00 0.00 H new ATOM 0 HH2 TRP A 95 5.643 4.569 -16.018 1.00 0.00 H new ATOM 1576 N GLY A 96 4.500 5.747 -10.662 1.00 0.00 N ATOM 1577 CA GLY A 96 3.331 4.995 -11.088 1.00 0.00 C ATOM 1578 C GLY A 96 2.091 5.860 -11.252 1.00 0.00 C ATOM 1579 O GLY A 96 1.895 6.487 -12.293 1.00 0.00 O ATOM 0 H GLY A 96 5.370 5.480 -11.122 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.550 4.501 -12.035 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.126 4.211 -10.359 1.00 0.00 H new ATOM 1583 N LYS A 97 1.252 5.887 -10.215 1.00 0.00 N ATOM 1584 CA LYS A 97 0.019 6.674 -10.235 1.00 0.00 C ATOM 1585 C LYS A 97 -0.828 6.396 -8.989 1.00 0.00 C ATOM 1586 O LYS A 97 -2.055 6.327 -9.066 1.00 0.00 O ATOM 1587 CB LYS A 97 -0.795 6.365 -11.497 1.00 0.00 C ATOM 1588 CG LYS A 97 -1.209 7.607 -12.270 1.00 0.00 C ATOM 1589 CD LYS A 97 -2.589 7.447 -12.885 1.00 0.00 C ATOM 1590 CE LYS A 97 -3.405 8.724 -12.766 1.00 0.00 C ATOM 1591 NZ LYS A 97 -3.043 9.714 -13.818 1.00 0.00 N ATOM 0 H LYS A 97 1.405 5.371 -9.349 1.00 0.00 H new ATOM 0 HA LYS A 97 0.295 7.729 -10.239 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -0.208 5.719 -12.150 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -1.688 5.807 -11.216 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -1.204 8.470 -11.604 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -0.481 7.807 -13.056 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -2.491 7.174 -13.936 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -3.116 6.630 -12.391 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -4.466 8.485 -12.842 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.247 9.166 -11.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -3.621 10.571 -13.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.037 9.961 -13.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -3.218 9.302 -14.757 1.00 0.00 H new ATOM 1605 N GLU A 98 -0.166 6.244 -7.846 1.00 0.00 N ATOM 1606 CA GLU A 98 -0.856 5.980 -6.585 1.00 0.00 C ATOM 1607 C GLU A 98 -1.849 7.093 -6.266 1.00 0.00 C ATOM 1608 O GLU A 98 -3.010 6.829 -5.955 1.00 0.00 O ATOM 1609 CB GLU A 98 0.162 5.848 -5.449 1.00 0.00 C ATOM 1610 CG GLU A 98 1.124 7.022 -5.358 1.00 0.00 C ATOM 1611 CD GLU A 98 2.345 6.715 -4.514 1.00 0.00 C ATOM 1612 OE1 GLU A 98 2.724 5.527 -4.429 1.00 0.00 O ATOM 1613 OE2 GLU A 98 2.922 7.661 -3.938 1.00 0.00 O ATOM 0 H GLU A 98 0.849 6.299 -7.766 1.00 0.00 H new ATOM 0 HA GLU A 98 -1.407 5.045 -6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -0.371 5.751 -4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 98 0.733 4.930 -5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.443 7.304 -6.362 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.603 7.881 -4.936 1.00 0.00 H new ATOM 1620 N GLY A 99 -1.387 8.338 -6.349 1.00 0.00 N ATOM 1621 CA GLY A 99 -2.256 9.465 -6.068 1.00 0.00 C ATOM 1622 C GLY A 99 -1.500 10.690 -5.584 1.00 0.00 C ATOM 1623 O GLY A 99 -1.512 11.731 -6.241 1.00 0.00 O ATOM 0 H GLY A 99 -0.431 8.585 -6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -2.813 9.721 -6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -2.987 9.174 -5.313 1.00 0.00 H new ATOM 1627 N GLN A 100 -0.854 10.571 -4.429 1.00 0.00 N ATOM 1628 CA GLN A 100 -0.102 11.684 -3.856 1.00 0.00 C ATOM 1629 C GLN A 100 1.343 11.298 -3.572 1.00 0.00 C ATOM 1630 O GLN A 100 1.614 10.383 -2.793 1.00 0.00 O ATOM 1631 CB GLN A 100 -0.774 12.171 -2.570 1.00 0.00 C ATOM 1632 CG GLN A 100 -1.038 11.062 -1.563 1.00 0.00 C ATOM 1633 CD GLN A 100 -2.489 11.002 -1.126 1.00 0.00 C ATOM 1634 OE1 GLN A 100 -3.064 9.805 -1.148 1.00 0.00 O flip ATOM 1635 NE2 GLN A 100 -3.085 12.019 -0.774 1.00 0.00 N flip ATOM 0 H GLN A 100 -0.835 9.717 -3.871 1.00 0.00 H new ATOM 0 HA GLN A 100 -0.096 12.490 -4.589 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -0.144 12.930 -2.106 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -1.718 12.653 -2.823 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -0.755 10.105 -2.000 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -0.405 11.213 -0.688 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -2.603 12.918 -0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -4.061 11.963 -0.483 1.00 0.00 H new ATOM 1644 N PRO A 101 2.294 12.008 -4.201 1.00 0.00 N ATOM 1645 CA PRO A 101 3.726 11.762 -4.021 1.00 0.00 C ATOM 1646 C PRO A 101 4.105 11.537 -2.559 1.00 0.00 C ATOM 1647 O PRO A 101 3.507 12.122 -1.657 1.00 0.00 O ATOM 1648 CB PRO A 101 4.337 13.059 -4.536 1.00 0.00 C ATOM 1649 CG PRO A 101 3.424 13.480 -5.626 1.00 0.00 C ATOM 1650 CD PRO A 101 2.047 13.121 -5.145 1.00 0.00 C ATOM 0 HA PRO A 101 4.065 10.862 -4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 101 4.394 13.812 -3.750 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.351 12.904 -4.903 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.508 14.550 -5.819 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.661 12.968 -6.559 1.00 0.00 H new ATOM 0 HD2 PRO A 101 1.560 13.964 -4.654 1.00 0.00 H new ATOM 0 HD3 PRO A 101 1.401 12.815 -5.968 1.00 0.00 H new ATOM 1658 N GLY A 102 5.097 10.681 -2.334 1.00 0.00 N ATOM 1659 CA GLY A 102 5.533 10.389 -0.980 1.00 0.00 C ATOM 1660 C GLY A 102 7.022 10.609 -0.779 1.00 0.00 C ATOM 1661 O GLY A 102 7.742 10.942 -1.722 1.00 0.00 O ATOM 0 H GLY A 102 5.607 10.184 -3.065 1.00 0.00 H new ATOM 0 HA2 GLY A 102 4.980 11.018 -0.282 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.288 9.354 -0.740 1.00 0.00 H new ATOM 1665 N GLU A 103 7.482 10.418 0.455 1.00 0.00 N ATOM 1666 CA GLU A 103 8.894 10.591 0.789 1.00 0.00 C ATOM 1667 C GLU A 103 9.413 9.379 1.559 1.00 0.00 C ATOM 1668 O GLU A 103 8.635 8.644 2.166 1.00 0.00 O ATOM 1669 CB GLU A 103 9.092 11.861 1.619 1.00 0.00 C ATOM 1670 CG GLU A 103 10.472 12.478 1.466 1.00 0.00 C ATOM 1671 CD GLU A 103 10.489 13.958 1.799 1.00 0.00 C ATOM 1672 OE1 GLU A 103 9.709 14.713 1.184 1.00 0.00 O ATOM 1673 OE2 GLU A 103 11.283 14.359 2.677 1.00 0.00 O ATOM 0 H GLU A 103 6.896 10.142 1.243 1.00 0.00 H new ATOM 0 HA GLU A 103 9.458 10.684 -0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.341 12.595 1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.922 11.628 2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 103 11.174 11.955 2.116 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.818 12.336 0.442 1.00 0.00 H new ATOM 1680 N TRP A 104 10.728 9.168 1.529 1.00 0.00 N ATOM 1681 CA TRP A 104 11.321 8.031 2.231 1.00 0.00 C ATOM 1682 C TRP A 104 11.134 8.184 3.738 1.00 0.00 C ATOM 1683 O TRP A 104 11.801 8.996 4.379 1.00 0.00 O ATOM 1684 CB TRP A 104 12.820 7.911 1.900 1.00 0.00 C ATOM 1685 CG TRP A 104 13.169 8.332 0.503 1.00 0.00 C ATOM 1686 CD1 TRP A 104 12.368 8.265 -0.599 1.00 0.00 C ATOM 1687 CD2 TRP A 104 14.415 8.886 0.062 1.00 0.00 C ATOM 1688 NE1 TRP A 104 13.037 8.742 -1.700 1.00 0.00 N ATOM 1689 CE2 TRP A 104 14.296 9.129 -1.320 1.00 0.00 C ATOM 1690 CE3 TRP A 104 15.618 9.199 0.700 1.00 0.00 C ATOM 1691 CZ2 TRP A 104 15.335 9.672 -2.072 1.00 0.00 C ATOM 1692 CZ3 TRP A 104 16.648 9.737 -0.049 1.00 0.00 C ATOM 1693 CH2 TRP A 104 16.501 9.969 -1.422 1.00 0.00 C ATOM 0 H TRP A 104 11.395 9.760 1.034 1.00 0.00 H new ATOM 0 HA TRP A 104 10.816 7.124 1.900 1.00 0.00 H new ATOM 0 HB2 TRP A 104 13.388 8.519 2.605 1.00 0.00 H new ATOM 0 HB3 TRP A 104 13.133 6.877 2.046 1.00 0.00 H new ATOM 0 HD1 TRP A 104 11.355 7.891 -0.605 1.00 0.00 H new ATOM 0 HE1 TRP A 104 12.659 8.799 -2.646 1.00 0.00 H new ATOM 0 HE3 TRP A 104 15.741 9.024 1.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 15.224 9.852 -3.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 17.583 9.983 0.433 1.00 0.00 H new ATOM 0 HH2 TRP A 104 17.325 10.391 -1.979 1.00 0.00 H new ATOM 1704 N MET A 105 10.221 7.394 4.301 1.00 0.00 N ATOM 1705 CA MET A 105 9.948 7.437 5.735 1.00 0.00 C ATOM 1706 C MET A 105 10.195 6.082 6.384 1.00 0.00 C ATOM 1707 O MET A 105 10.257 5.058 5.706 1.00 0.00 O ATOM 1708 CB MET A 105 8.511 7.886 6.005 1.00 0.00 C ATOM 1709 CG MET A 105 8.055 9.043 5.128 1.00 0.00 C ATOM 1710 SD MET A 105 6.422 8.779 4.412 1.00 0.00 S ATOM 1711 CE MET A 105 5.375 9.092 5.830 1.00 0.00 C ATOM 0 H MET A 105 9.659 6.717 3.785 1.00 0.00 H new ATOM 0 HA MET A 105 10.632 8.163 6.175 1.00 0.00 H new ATOM 0 HB2 MET A 105 7.841 7.040 5.852 1.00 0.00 H new ATOM 0 HB3 MET A 105 8.422 8.178 7.051 1.00 0.00 H new ATOM 0 HG2 MET A 105 8.043 9.958 5.720 1.00 0.00 H new ATOM 0 HG3 MET A 105 8.778 9.191 4.326 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.330 8.968 5.545 1.00 0.00 H new ATOM 0 HE2 MET A 105 5.620 8.389 6.626 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.536 10.110 6.183 1.00 0.00 H new ATOM 1721 N SER A 106 10.316 6.084 7.705 1.00 0.00 N ATOM 1722 CA SER A 106 10.543 4.855 8.456 1.00 0.00 C ATOM 1723 C SER A 106 9.251 4.059 8.594 1.00 0.00 C ATOM 1724 O SER A 106 8.292 4.515 9.218 1.00 0.00 O ATOM 1725 CB SER A 106 11.112 5.174 9.841 1.00 0.00 C ATOM 1726 OG SER A 106 10.893 6.531 10.185 1.00 0.00 O ATOM 0 H SER A 106 10.261 6.925 8.280 1.00 0.00 H new ATOM 0 HA SER A 106 11.265 4.251 7.907 1.00 0.00 H new ATOM 0 HB2 SER A 106 10.647 4.528 10.586 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.181 4.960 9.856 1.00 0.00 H new ATOM 0 HG SER A 106 11.265 6.707 11.074 1.00 0.00 H new ATOM 1732 N LEU A 107 9.229 2.868 8.004 1.00 0.00 N ATOM 1733 CA LEU A 107 8.048 2.012 8.061 1.00 0.00 C ATOM 1734 C LEU A 107 7.964 1.264 9.390 1.00 0.00 C ATOM 1735 O LEU A 107 6.900 0.777 9.770 1.00 0.00 O ATOM 1736 CB LEU A 107 8.049 1.021 6.896 1.00 0.00 C ATOM 1737 CG LEU A 107 6.745 0.966 6.096 1.00 0.00 C ATOM 1738 CD1 LEU A 107 5.652 0.288 6.906 1.00 0.00 C ATOM 1739 CD2 LEU A 107 6.312 2.365 5.680 1.00 0.00 C ATOM 0 H LEU A 107 10.012 2.474 7.483 1.00 0.00 H new ATOM 0 HA LEU A 107 7.170 2.653 7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 107 8.863 1.279 6.219 1.00 0.00 H new ATOM 0 HB3 LEU A 107 8.262 0.025 7.285 1.00 0.00 H new ATOM 0 HG LEU A 107 6.920 0.379 5.194 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.732 0.258 6.322 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.959 -0.728 7.152 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.480 0.848 7.825 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.383 2.305 5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.155 2.977 6.569 1.00 0.00 H new ATOM 0 HD23 LEU A 107 7.087 2.817 5.061 1.00 0.00 H new ATOM 1751 N VAL A 108 9.089 1.177 10.094 1.00 0.00 N ATOM 1752 CA VAL A 108 9.133 0.490 11.380 1.00 0.00 C ATOM 1753 C VAL A 108 8.171 1.120 12.388 1.00 0.00 C ATOM 1754 O VAL A 108 7.898 0.541 13.439 1.00 0.00 O ATOM 1755 CB VAL A 108 10.556 0.503 11.973 1.00 0.00 C ATOM 1756 CG1 VAL A 108 10.631 -0.387 13.204 1.00 0.00 C ATOM 1757 CG2 VAL A 108 11.573 0.070 10.930 1.00 0.00 C ATOM 0 H VAL A 108 9.980 1.573 9.796 1.00 0.00 H new ATOM 0 HA VAL A 108 8.828 -0.540 11.193 1.00 0.00 H new ATOM 0 HB VAL A 108 10.793 1.523 12.277 1.00 0.00 H new ATOM 0 HG11 VAL A 108 11.643 -0.365 13.608 1.00 0.00 H new ATOM 0 HG12 VAL A 108 9.931 -0.025 13.958 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.372 -1.410 12.930 1.00 0.00 H new ATOM 0 HG21 VAL A 108 12.571 0.085 11.367 1.00 0.00 H new ATOM 0 HG22 VAL A 108 11.340 -0.940 10.592 1.00 0.00 H new ATOM 0 HG23 VAL A 108 11.538 0.753 10.082 1.00 0.00 H new ATOM 1767 N GLY A 109 7.657 2.305 12.062 1.00 0.00 N ATOM 1768 CA GLY A 109 6.734 2.983 12.948 1.00 0.00 C ATOM 1769 C GLY A 109 5.617 3.668 12.187 1.00 0.00 C ATOM 1770 O GLY A 109 5.395 4.869 12.337 1.00 0.00 O ATOM 0 H GLY A 109 7.866 2.805 11.198 1.00 0.00 H new ATOM 0 HA2 GLY A 109 6.308 2.264 13.648 1.00 0.00 H new ATOM 0 HA3 GLY A 109 7.275 3.721 13.540 1.00 0.00 H new ATOM 1774 N LEU A 110 4.918 2.896 11.363 1.00 0.00 N ATOM 1775 CA LEU A 110 3.815 3.422 10.564 1.00 0.00 C ATOM 1776 C LEU A 110 2.707 3.960 11.468 1.00 0.00 C ATOM 1777 O LEU A 110 2.535 3.497 12.595 1.00 0.00 O ATOM 1778 CB LEU A 110 3.266 2.336 9.639 1.00 0.00 C ATOM 1779 CG LEU A 110 1.948 2.679 8.947 1.00 0.00 C ATOM 1780 CD1 LEU A 110 1.878 2.023 7.577 1.00 0.00 C ATOM 1781 CD2 LEU A 110 0.773 2.249 9.813 1.00 0.00 C ATOM 0 H LEU A 110 5.095 1.900 11.230 1.00 0.00 H new ATOM 0 HA LEU A 110 4.191 4.243 9.954 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.013 2.119 8.876 1.00 0.00 H new ATOM 0 HB3 LEU A 110 3.127 1.423 10.218 1.00 0.00 H new ATOM 0 HG LEU A 110 1.897 3.759 8.808 1.00 0.00 H new ATOM 0 HD11 LEU A 110 0.932 2.279 7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.704 2.379 6.961 1.00 0.00 H new ATOM 0 HD13 LEU A 110 1.948 0.941 7.688 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.161 2.499 9.309 1.00 0.00 H new ATOM 0 HD22 LEU A 110 0.819 1.173 9.980 1.00 0.00 H new ATOM 0 HD23 LEU A 110 0.818 2.767 10.771 1.00 0.00 H new ATOM 1793 N ASN A 111 1.979 4.959 10.976 1.00 0.00 N ATOM 1794 CA ASN A 111 0.913 5.580 11.756 1.00 0.00 C ATOM 1795 C ASN A 111 -0.475 5.091 11.360 1.00 0.00 C ATOM 1796 O ASN A 111 -0.994 5.443 10.301 1.00 0.00 O ATOM 1797 CB ASN A 111 0.985 7.103 11.623 1.00 0.00 C ATOM 1798 CG ASN A 111 1.377 7.779 12.922 1.00 0.00 C ATOM 1799 OD1 ASN A 111 0.662 8.645 13.425 1.00 0.00 O ATOM 1800 ND2 ASN A 111 2.520 7.386 13.471 1.00 0.00 N ATOM 0 H ASN A 111 2.107 5.354 10.045 1.00 0.00 H new ATOM 0 HA ASN A 111 1.070 5.287 12.794 1.00 0.00 H new ATOM 0 HB2 ASN A 111 1.707 7.364 10.849 1.00 0.00 H new ATOM 0 HB3 ASN A 111 0.017 7.483 11.297 1.00 0.00 H new ATOM 0 HD21 ASN A 111 2.837 7.806 14.345 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.081 6.664 13.019 1.00 0.00 H new ATOM 1807 N ALA A 112 -1.084 4.304 12.245 1.00 0.00 N ATOM 1808 CA ALA A 112 -2.430 3.798 12.015 1.00 0.00 C ATOM 1809 C ALA A 112 -3.450 4.928 12.174 1.00 0.00 C ATOM 1810 O ALA A 112 -4.595 4.816 11.737 1.00 0.00 O ATOM 1811 CB ALA A 112 -2.751 2.656 12.970 1.00 0.00 C ATOM 0 H ALA A 112 -0.665 4.005 13.126 1.00 0.00 H new ATOM 0 HA ALA A 112 -2.484 3.413 10.997 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -3.762 2.295 12.779 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -2.040 1.844 12.818 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -2.681 3.011 13.998 1.00 0.00 H new ATOM 1817 N ASP A 113 -3.021 6.018 12.811 1.00 0.00 N ATOM 1818 CA ASP A 113 -3.881 7.175 13.032 1.00 0.00 C ATOM 1819 C ASP A 113 -3.989 8.031 11.772 1.00 0.00 C ATOM 1820 O ASP A 113 -5.083 8.437 11.378 1.00 0.00 O ATOM 1821 CB ASP A 113 -3.346 8.019 14.190 1.00 0.00 C ATOM 1822 CG ASP A 113 -4.260 9.180 14.530 1.00 0.00 C ATOM 1823 OD1 ASP A 113 -5.477 8.951 14.687 1.00 0.00 O ATOM 1824 OD2 ASP A 113 -3.757 10.319 14.639 1.00 0.00 O ATOM 0 H ASP A 113 -2.077 6.121 13.184 1.00 0.00 H new ATOM 0 HA ASP A 113 -4.877 6.809 13.284 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -3.223 7.387 15.070 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -2.359 8.401 13.931 1.00 0.00 H new ATOM 1829 N ASP A 114 -2.845 8.308 11.148 1.00 0.00 N ATOM 1830 CA ASP A 114 -2.810 9.125 9.938 1.00 0.00 C ATOM 1831 C ASP A 114 -3.492 8.411 8.778 1.00 0.00 C ATOM 1832 O ASP A 114 -4.218 9.026 7.999 1.00 0.00 O ATOM 1833 CB ASP A 114 -1.367 9.461 9.565 1.00 0.00 C ATOM 1834 CG ASP A 114 -1.060 10.939 9.706 1.00 0.00 C ATOM 1835 OD1 ASP A 114 -1.777 11.624 10.467 1.00 0.00 O ATOM 1836 OD2 ASP A 114 -0.104 11.411 9.056 1.00 0.00 O ATOM 0 H ASP A 114 -1.932 7.979 11.461 1.00 0.00 H new ATOM 0 HA ASP A 114 -3.351 10.049 10.141 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.689 8.890 10.199 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -1.179 9.151 8.537 1.00 0.00 H new ATOM 1841 N PHE A 115 -3.257 7.110 8.675 1.00 0.00 N ATOM 1842 CA PHE A 115 -3.853 6.311 7.615 1.00 0.00 C ATOM 1843 C PHE A 115 -5.311 5.993 7.967 1.00 0.00 C ATOM 1844 O PHE A 115 -5.768 6.325 9.060 1.00 0.00 O ATOM 1845 CB PHE A 115 -3.007 5.041 7.396 1.00 0.00 C ATOM 1846 CG PHE A 115 -3.583 3.780 7.966 1.00 0.00 C ATOM 1847 CD1 PHE A 115 -4.047 3.751 9.263 1.00 0.00 C ATOM 1848 CD2 PHE A 115 -3.641 2.622 7.208 1.00 0.00 C ATOM 1849 CE1 PHE A 115 -4.560 2.592 9.805 1.00 0.00 C ATOM 1850 CE2 PHE A 115 -4.156 1.459 7.741 1.00 0.00 C ATOM 1851 CZ PHE A 115 -4.614 1.445 9.042 1.00 0.00 C ATOM 0 H PHE A 115 -2.658 6.586 9.313 1.00 0.00 H new ATOM 0 HA PHE A 115 -3.862 6.865 6.677 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -2.861 4.902 6.325 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -2.022 5.201 7.834 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -4.008 4.648 9.863 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -3.280 2.630 6.190 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -4.918 2.583 10.824 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -4.201 0.562 7.141 1.00 0.00 H new ATOM 0 HZ PHE A 115 -5.015 0.535 9.463 1.00 0.00 H new ATOM 1861 N PRO A 116 -6.074 5.364 7.054 1.00 0.00 N ATOM 1862 CA PRO A 116 -7.481 5.042 7.310 1.00 0.00 C ATOM 1863 C PRO A 116 -7.668 4.238 8.598 1.00 0.00 C ATOM 1864 O PRO A 116 -7.016 3.214 8.799 1.00 0.00 O ATOM 1865 CB PRO A 116 -7.901 4.210 6.088 1.00 0.00 C ATOM 1866 CG PRO A 116 -6.629 3.842 5.396 1.00 0.00 C ATOM 1867 CD PRO A 116 -5.649 4.933 5.715 1.00 0.00 C ATOM 0 HA PRO A 116 -8.081 5.942 7.446 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -8.454 3.321 6.391 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -8.554 4.783 5.429 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -6.263 2.876 5.743 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -6.781 3.758 4.320 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -4.622 4.568 5.714 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -5.699 5.747 4.992 1.00 0.00 H new ATOM 1875 N PRO A 117 -8.562 4.700 9.496 1.00 0.00 N ATOM 1876 CA PRO A 117 -8.826 4.022 10.772 1.00 0.00 C ATOM 1877 C PRO A 117 -9.533 2.685 10.590 1.00 0.00 C ATOM 1878 O PRO A 117 -9.254 1.723 11.304 1.00 0.00 O ATOM 1879 CB PRO A 117 -9.729 5.006 11.520 1.00 0.00 C ATOM 1880 CG PRO A 117 -10.390 5.802 10.450 1.00 0.00 C ATOM 1881 CD PRO A 117 -9.381 5.918 9.342 1.00 0.00 C ATOM 0 HA PRO A 117 -7.903 3.783 11.300 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -10.462 4.482 12.134 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -9.151 5.644 12.188 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.298 5.310 10.102 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -10.681 6.786 10.818 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.861 5.958 8.364 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -8.779 6.822 9.439 1.00 0.00 H new ATOM 1889 N ALA A 118 -10.447 2.628 9.628 1.00 0.00 N ATOM 1890 CA ALA A 118 -11.188 1.403 9.353 1.00 0.00 C ATOM 1891 C ALA A 118 -10.296 0.341 8.723 1.00 0.00 C ATOM 1892 O ALA A 118 -10.694 -0.815 8.576 1.00 0.00 O ATOM 1893 CB ALA A 118 -12.383 1.699 8.458 1.00 0.00 C ATOM 0 H ALA A 118 -10.692 3.414 9.026 1.00 0.00 H new ATOM 0 HA ALA A 118 -11.549 1.009 10.303 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.927 0.776 8.261 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -13.043 2.410 8.955 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -12.036 2.124 7.516 1.00 0.00 H new ATOM 1899 N ASN A 119 -9.092 0.745 8.351 1.00 0.00 N ATOM 1900 CA ASN A 119 -8.133 -0.151 7.731 1.00 0.00 C ATOM 1901 C ASN A 119 -7.037 -0.547 8.724 1.00 0.00 C ATOM 1902 O ASN A 119 -5.940 -0.940 8.328 1.00 0.00 O ATOM 1903 CB ASN A 119 -7.528 0.562 6.526 1.00 0.00 C ATOM 1904 CG ASN A 119 -8.308 0.306 5.249 1.00 0.00 C ATOM 1905 OD1 ASN A 119 -9.249 -0.489 5.229 1.00 0.00 O ATOM 1906 ND2 ASN A 119 -7.929 0.990 4.174 1.00 0.00 N ATOM 0 H ASN A 119 -8.754 1.700 8.470 1.00 0.00 H new ATOM 0 HA ASN A 119 -8.634 -1.066 7.415 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -7.496 1.634 6.720 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -6.498 0.232 6.392 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -8.423 0.866 3.290 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -7.144 1.639 4.233 1.00 0.00 H new ATOM 1913 N GLU A 120 -7.345 -0.422 10.017 1.00 0.00 N ATOM 1914 CA GLU A 120 -6.394 -0.738 11.086 1.00 0.00 C ATOM 1915 C GLU A 120 -6.132 -2.240 11.255 1.00 0.00 C ATOM 1916 O GLU A 120 -5.041 -2.621 11.659 1.00 0.00 O ATOM 1917 CB GLU A 120 -6.878 -0.145 12.413 1.00 0.00 C ATOM 1918 CG GLU A 120 -5.917 0.870 13.009 1.00 0.00 C ATOM 1919 CD GLU A 120 -6.180 1.129 14.479 1.00 0.00 C ATOM 1920 OE1 GLU A 120 -6.446 0.156 15.215 1.00 0.00 O ATOM 1921 OE2 GLU A 120 -6.121 2.305 14.895 1.00 0.00 O ATOM 0 H GLU A 120 -8.254 -0.101 10.351 1.00 0.00 H new ATOM 0 HA GLU A 120 -5.446 -0.289 10.791 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -7.846 0.331 12.258 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -7.031 -0.953 13.129 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -4.895 0.514 12.884 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -5.997 1.807 12.459 1.00 0.00 H new ATOM 1928 N PRO A 121 -7.111 -3.122 10.982 1.00 0.00 N ATOM 1929 CA PRO A 121 -6.921 -4.570 11.153 1.00 0.00 C ATOM 1930 C PRO A 121 -5.579 -5.069 10.615 1.00 0.00 C ATOM 1931 O PRO A 121 -4.955 -5.948 11.209 1.00 0.00 O ATOM 1932 CB PRO A 121 -8.082 -5.159 10.357 1.00 0.00 C ATOM 1933 CG PRO A 121 -9.164 -4.142 10.480 1.00 0.00 C ATOM 1934 CD PRO A 121 -8.476 -2.801 10.517 1.00 0.00 C ATOM 0 HA PRO A 121 -6.908 -4.859 12.204 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -7.807 -5.324 9.315 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -8.393 -6.122 10.761 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.854 -4.203 9.638 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.750 -4.304 11.385 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -8.464 -2.330 9.534 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -8.979 -2.111 11.195 1.00 0.00 H new ATOM 1942 N VAL A 122 -5.134 -4.501 9.501 1.00 0.00 N ATOM 1943 CA VAL A 122 -3.859 -4.886 8.907 1.00 0.00 C ATOM 1944 C VAL A 122 -2.701 -4.255 9.667 1.00 0.00 C ATOM 1945 O VAL A 122 -1.753 -4.934 10.060 1.00 0.00 O ATOM 1946 CB VAL A 122 -3.771 -4.470 7.424 1.00 0.00 C ATOM 1947 CG1 VAL A 122 -2.440 -4.901 6.823 1.00 0.00 C ATOM 1948 CG2 VAL A 122 -4.931 -5.055 6.632 1.00 0.00 C ATOM 0 H VAL A 122 -5.636 -3.774 8.991 1.00 0.00 H new ATOM 0 HA VAL A 122 -3.794 -5.972 8.970 1.00 0.00 H new ATOM 0 HB VAL A 122 -3.834 -3.383 7.371 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -2.398 -4.598 5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -1.624 -4.429 7.370 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -2.344 -5.985 6.891 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -4.850 -4.750 5.589 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -4.903 -6.143 6.695 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -5.873 -4.692 7.044 1.00 0.00 H new ATOM 1958 N ILE A 123 -2.788 -2.944 9.864 1.00 0.00 N ATOM 1959 CA ILE A 123 -1.753 -2.203 10.568 1.00 0.00 C ATOM 1960 C ILE A 123 -1.664 -2.627 12.028 1.00 0.00 C ATOM 1961 O ILE A 123 -0.595 -2.586 12.626 1.00 0.00 O ATOM 1962 CB ILE A 123 -2.000 -0.684 10.488 1.00 0.00 C ATOM 1963 CG1 ILE A 123 -1.916 -0.219 9.039 1.00 0.00 C ATOM 1964 CG2 ILE A 123 -0.989 0.069 11.338 1.00 0.00 C ATOM 1965 CD1 ILE A 123 -0.555 -0.449 8.425 1.00 0.00 C ATOM 0 H ILE A 123 -3.569 -2.372 9.544 1.00 0.00 H new ATOM 0 HA ILE A 123 -0.808 -2.433 10.077 1.00 0.00 H new ATOM 0 HB ILE A 123 -2.998 -0.474 10.873 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -2.668 -0.744 8.450 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -2.157 0.843 8.989 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -1.180 1.140 11.268 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -1.079 -0.248 12.377 1.00 0.00 H new ATOM 0 HG23 ILE A 123 0.018 -0.144 10.979 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -0.557 -0.098 7.393 1.00 0.00 H new ATOM 0 HD12 ILE A 123 0.198 0.098 8.993 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -0.322 -1.514 8.445 1.00 0.00 H new ATOM 1977 N ALA A 124 -2.788 -3.038 12.599 1.00 0.00 N ATOM 1978 CA ALA A 124 -2.815 -3.472 13.989 1.00 0.00 C ATOM 1979 C ALA A 124 -1.792 -4.574 14.223 1.00 0.00 C ATOM 1980 O ALA A 124 -1.258 -4.723 15.321 1.00 0.00 O ATOM 1981 CB ALA A 124 -4.210 -3.948 14.368 1.00 0.00 C ATOM 0 H ALA A 124 -3.689 -3.080 12.124 1.00 0.00 H new ATOM 0 HA ALA A 124 -2.556 -2.624 14.622 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -4.214 -4.269 15.410 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.921 -3.132 14.237 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -4.495 -4.784 13.729 1.00 0.00 H new ATOM 1987 N LYS A 125 -1.526 -5.348 13.175 1.00 0.00 N ATOM 1988 CA LYS A 125 -0.563 -6.443 13.259 1.00 0.00 C ATOM 1989 C LYS A 125 0.879 -5.933 13.187 1.00 0.00 C ATOM 1990 O LYS A 125 1.710 -6.277 14.026 1.00 0.00 O ATOM 1991 CB LYS A 125 -0.813 -7.453 12.138 1.00 0.00 C ATOM 1992 CG LYS A 125 -2.059 -8.298 12.348 1.00 0.00 C ATOM 1993 CD LYS A 125 -2.772 -8.575 11.034 1.00 0.00 C ATOM 1994 CE LYS A 125 -3.370 -9.971 11.008 1.00 0.00 C ATOM 1995 NZ LYS A 125 -2.320 -11.022 10.910 1.00 0.00 N ATOM 0 H LYS A 125 -1.962 -5.238 12.259 1.00 0.00 H new ATOM 0 HA LYS A 125 -0.700 -6.930 14.224 1.00 0.00 H new ATOM 0 HB2 LYS A 125 -0.901 -6.919 11.192 1.00 0.00 H new ATOM 0 HB3 LYS A 125 0.052 -8.111 12.053 1.00 0.00 H new ATOM 0 HG2 LYS A 125 -1.785 -9.241 12.820 1.00 0.00 H new ATOM 0 HG3 LYS A 125 -2.737 -7.785 13.030 1.00 0.00 H new ATOM 0 HD2 LYS A 125 -3.561 -7.838 10.884 1.00 0.00 H new ATOM 0 HD3 LYS A 125 -2.070 -8.463 10.208 1.00 0.00 H new ATOM 0 HE2 LYS A 125 -3.960 -10.130 11.910 1.00 0.00 H new ATOM 0 HE3 LYS A 125 -4.052 -10.058 10.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 -2.727 -11.944 11.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 -1.957 -11.060 9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 -1.541 -10.796 11.561 1.00 0.00 H new ATOM 2009 N LEU A 126 1.169 -5.122 12.173 1.00 0.00 N ATOM 2010 CA LEU A 126 2.511 -4.573 11.978 1.00 0.00 C ATOM 2011 C LEU A 126 2.788 -3.403 12.920 1.00 0.00 C ATOM 2012 O LEU A 126 3.941 -3.049 13.162 1.00 0.00 O ATOM 2013 CB LEU A 126 2.690 -4.125 10.525 1.00 0.00 C ATOM 2014 CG LEU A 126 4.123 -3.768 10.114 1.00 0.00 C ATOM 2015 CD1 LEU A 126 4.483 -2.367 10.585 1.00 0.00 C ATOM 2016 CD2 LEU A 126 5.110 -4.790 10.662 1.00 0.00 C ATOM 0 H LEU A 126 0.491 -4.829 11.470 1.00 0.00 H new ATOM 0 HA LEU A 126 3.226 -5.363 12.208 1.00 0.00 H new ATOM 0 HB2 LEU A 126 2.331 -4.920 9.872 1.00 0.00 H new ATOM 0 HB3 LEU A 126 2.054 -3.257 10.350 1.00 0.00 H new ATOM 0 HG LEU A 126 4.181 -3.788 9.026 1.00 0.00 H new ATOM 0 HD11 LEU A 126 5.504 -2.133 10.283 1.00 0.00 H new ATOM 0 HD12 LEU A 126 3.798 -1.646 10.139 1.00 0.00 H new ATOM 0 HD13 LEU A 126 4.405 -2.317 11.671 1.00 0.00 H new ATOM 0 HD21 LEU A 126 6.121 -4.518 10.359 1.00 0.00 H new ATOM 0 HD22 LEU A 126 5.050 -4.807 11.750 1.00 0.00 H new ATOM 0 HD23 LEU A 126 4.867 -5.777 10.270 1.00 0.00 H new ATOM 2028 N LYS A 127 1.730 -2.801 13.445 1.00 0.00 N ATOM 2029 CA LYS A 127 1.868 -1.671 14.354 1.00 0.00 C ATOM 2030 C LYS A 127 2.318 -2.142 15.722 1.00 0.00 C ATOM 2031 O LYS A 127 3.192 -1.540 16.346 1.00 0.00 O ATOM 2032 CB LYS A 127 0.544 -0.941 14.481 1.00 0.00 C ATOM 2033 CG LYS A 127 0.630 0.344 15.286 1.00 0.00 C ATOM 2034 CD LYS A 127 -0.530 1.276 14.978 1.00 0.00 C ATOM 2035 CE LYS A 127 -1.658 1.115 15.985 1.00 0.00 C ATOM 2036 NZ LYS A 127 -2.529 -0.049 15.663 1.00 0.00 N ATOM 0 H LYS A 127 0.766 -3.076 13.257 1.00 0.00 H new ATOM 0 HA LYS A 127 2.619 -0.993 13.948 1.00 0.00 H new ATOM 0 HB2 LYS A 127 0.169 -0.710 13.484 1.00 0.00 H new ATOM 0 HB3 LYS A 127 -0.183 -1.605 14.949 1.00 0.00 H new ATOM 0 HG2 LYS A 127 0.635 0.108 16.350 1.00 0.00 H new ATOM 0 HG3 LYS A 127 1.571 0.849 15.067 1.00 0.00 H new ATOM 0 HD2 LYS A 127 -0.180 2.308 14.984 1.00 0.00 H new ATOM 0 HD3 LYS A 127 -0.905 1.073 13.975 1.00 0.00 H new ATOM 0 HE2 LYS A 127 -1.238 0.989 16.983 1.00 0.00 H new ATOM 0 HE3 LYS A 127 -2.259 2.024 16.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 -3.392 -0.008 16.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 -2.786 -0.022 14.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 -2.018 -0.932 15.866 1.00 0.00 H new ATOM 2050 N ARG A 128 1.725 -3.238 16.175 1.00 0.00 N ATOM 2051 CA ARG A 128 2.074 -3.811 17.461 1.00 0.00 C ATOM 2052 C ARG A 128 3.492 -4.367 17.417 1.00 0.00 C ATOM 2053 O ARG A 128 4.053 -4.744 18.445 1.00 0.00 O ATOM 2054 CB ARG A 128 1.084 -4.914 17.838 1.00 0.00 C ATOM 2055 CG ARG A 128 1.411 -5.608 19.151 1.00 0.00 C ATOM 2056 CD ARG A 128 0.360 -6.646 19.513 1.00 0.00 C ATOM 2057 NE ARG A 128 -0.882 -6.030 19.977 1.00 0.00 N ATOM 2058 CZ ARG A 128 -1.881 -5.669 19.174 1.00 0.00 C ATOM 2059 NH1 ARG A 128 -1.793 -5.854 17.862 1.00 0.00 N ATOM 2060 NH2 ARG A 128 -2.974 -5.119 19.685 1.00 0.00 N ATOM 0 H ARG A 128 1.000 -3.746 15.668 1.00 0.00 H new ATOM 0 HA ARG A 128 2.026 -3.029 18.218 1.00 0.00 H new ATOM 0 HB2 ARG A 128 0.084 -4.485 17.903 1.00 0.00 H new ATOM 0 HB3 ARG A 128 1.061 -5.657 17.041 1.00 0.00 H new ATOM 0 HG2 ARG A 128 2.387 -6.088 19.076 1.00 0.00 H new ATOM 0 HG3 ARG A 128 1.481 -4.867 19.947 1.00 0.00 H new ATOM 0 HD2 ARG A 128 0.152 -7.270 18.644 1.00 0.00 H new ATOM 0 HD3 ARG A 128 0.751 -7.302 20.290 1.00 0.00 H new ATOM 0 HE ARG A 128 -0.990 -5.867 20.978 1.00 0.00 H new ATOM 0 HH11 ARG A 128 -0.955 -6.276 17.462 1.00 0.00 H new ATOM 0 HH12 ARG A 128 -2.563 -5.574 17.255 1.00 0.00 H new ATOM 0 HH21 ARG A 128 -3.049 -4.973 20.692 1.00 0.00 H new ATOM 0 HH22 ARG A 128 -3.740 -4.842 19.071 1.00 0.00 H new ATOM 2074 N LEU A 129 4.074 -4.412 16.216 1.00 0.00 N ATOM 2075 CA LEU A 129 5.433 -4.921 16.055 1.00 0.00 C ATOM 2076 C LEU A 129 6.418 -4.095 16.883 1.00 0.00 C ATOM 2077 O LEU A 129 6.587 -4.330 18.080 1.00 0.00 O ATOM 2078 CB LEU A 129 5.835 -4.927 14.572 1.00 0.00 C ATOM 2079 CG LEU A 129 6.962 -3.964 14.182 1.00 0.00 C ATOM 2080 CD1 LEU A 129 7.476 -4.279 12.786 1.00 0.00 C ATOM 2081 CD2 LEU A 129 6.486 -2.521 14.268 1.00 0.00 C ATOM 0 H LEU A 129 3.629 -4.105 15.351 1.00 0.00 H new ATOM 0 HA LEU A 129 5.462 -5.948 16.419 1.00 0.00 H new ATOM 0 HB2 LEU A 129 6.137 -5.939 14.301 1.00 0.00 H new ATOM 0 HB3 LEU A 129 4.955 -4.687 13.976 1.00 0.00 H new ATOM 0 HG LEU A 129 7.784 -4.095 14.885 1.00 0.00 H new ATOM 0 HD11 LEU A 129 8.275 -3.585 12.527 1.00 0.00 H new ATOM 0 HD12 LEU A 129 7.859 -5.299 12.761 1.00 0.00 H new ATOM 0 HD13 LEU A 129 6.662 -4.179 12.068 1.00 0.00 H new ATOM 0 HD21 LEU A 129 7.300 -1.852 13.988 1.00 0.00 H new ATOM 0 HD22 LEU A 129 5.645 -2.374 13.590 1.00 0.00 H new ATOM 0 HD23 LEU A 129 6.171 -2.302 15.288 1.00 0.00 H new TER 2093 LEU A 129 HETATM 2094 MG MG A 130 -4.842 1.729 -9.352 1.00 0.00 MG HETATM 2095 OP3 8OG A 131 -7.109 3.379 -2.972 1.00 20.00 O HETATM 2096 P 8OG A 131 -8.355 2.908 -2.065 1.00 20.00 P HETATM 2097 OP1 8OG A 131 -9.465 2.529 -2.967 1.00 20.00 O HETATM 2098 OP2 8OG A 131 -8.584 3.939 -1.027 1.00 20.00 O HETATM 2099 O5' 8OG A 131 -7.774 1.582 -1.362 1.00 20.00 O HETATM 2100 C5' 8OG A 131 -8.435 0.988 -0.240 1.00 20.00 C HETATM 2101 C4' 8OG A 131 -9.898 0.658 -0.544 1.00 20.00 C HETATM 2102 O4' 8OG A 131 -10.653 -0.149 0.368 1.00 20.00 O HETATM 2103 C3' 8OG A 131 -10.786 1.895 -0.696 1.00 20.00 C HETATM 2104 O3' 8OG A 131 -11.275 2.032 -2.034 1.00 20.00 O HETATM 2105 C2' 8OG A 131 -11.937 1.749 0.304 1.00 20.00 C HETATM 2106 C1' 8OG A 131 -11.761 0.432 1.067 1.00 20.00 C HETATM 2107 N9 8OG A 131 -11.943 0.488 2.535 1.00 20.00 N HETATM 2108 C8 8OG A 131 -11.265 1.380 3.324 1.00 20.00 C HETATM 2109 N7 8OG A 131 -11.723 1.134 4.592 1.00 20.00 N HETATM 2110 C5 8OG A 131 -12.655 0.130 4.601 1.00 20.00 C HETATM 2111 C6 8OG A 131 -13.395 -0.484 5.549 1.00 20.00 C HETATM 2112 O6 8OG A 131 -13.279 -0.093 6.763 1.00 20.00 O HETATM 2113 N1 8OG A 131 -14.289 -1.511 5.268 1.00 20.00 N HETATM 2114 C2 8OG A 131 -14.409 -1.905 3.962 1.00 20.00 C HETATM 2115 N2 8OG A 131 -15.259 -2.906 3.695 1.00 20.00 N HETATM 2116 N3 8OG A 131 -13.691 -1.334 2.906 1.00 20.00 N HETATM 2117 C4 8OG A 131 -12.806 -0.293 3.295 1.00 20.00 C HETATM 2118 O8 8OG A 131 -10.402 2.254 2.966 1.00 20.00 O HETATM 0 HO3' 8OG A 131 -10.527 2.226 -2.637 1.00 20.00 H new HETATM 0 H5'' 8OG A 131 -7.911 0.077 0.049 1.00 20.00 H new HETATM 0 H2'' 8OG A 131 -11.944 2.590 0.998 1.00 20.00 H new HETATM 0 H7 8OG A 131 -11.410 1.635 5.424 1.00 20.00 H new HETATM 0 H5' 8OG A 131 -8.386 1.668 0.611 1.00 20.00 H new HETATM 0 H4' 8OG A 131 -9.711 0.088 -1.454 1.00 20.00 H new HETATM 0 H3' 8OG A 131 -10.212 2.799 -0.492 1.00 20.00 H new HETATM 0 H22 8OG A 131 -15.379 -3.231 2.736 1.00 20.00 H new HETATM 0 H21 8OG A 131 -15.786 -3.343 4.451 1.00 20.00 H new HETATM 0 H2' 8OG A 131 -12.894 1.759 -0.217 1.00 20.00 H new HETATM 0 H1' 8OG A 131 -12.564 -0.306 1.058 1.00 20.00 H new HETATM 0 H1 8OG A 131 -14.835 -1.954 6.007 1.00 20.00 H new HETATM 2131 O HOH A5095 -5.730 3.217 -8.144 1.00 0.00 O HETATM 2132 O HOH A5096 -6.224 2.198 -10.879 1.00 0.00 O