USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 836 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 GLN N :NH3+ -146:sc= -0.181 (180deg=-0.667) USER MOD Set 1.2: A 106 SER OG : rot -80:sc= 0.433 USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= 0.671 USER MOD Set 2.2: A 82 GLN : amide:sc= -2.49 K(o=-1.3,f=-3.3!) USER MOD Set 2.3: A 84 ASN :FLIP amide:sc= 0.519 F(o=-8.3,f=-1.3) USER MOD Set 3.1: A 83 MET CE :methyl 157:sc= -3.3 (180deg=-5.03!) USER MOD Set 3.2: A 94 TYR OH : rot 30:sc= -0.191 USER MOD Set 4.1: A 52 ASN : amide:sc= 0.00245 K(o=0.1,f=-2.3!) USER MOD Set 4.2: A 55 SER OG : rot 133:sc= 0.0996 USER MOD Set 5.1: A 32 TYR OH : rot -171:sc= -2.03 USER MOD Set 5.2: A 34 MET CE :methyl -134:sc= -1.86 (180deg=-6.51!) USER MOD Set 6.1: A 21 SER OG : rot 135:sc= -0.886 USER MOD Set 6.2: A 80 TYR OH : rot 180:sc= 0 USER MOD Set 7.1: A 3 GLN : amide:sc= 0 X(o=-0.9,f=-0.91) USER MOD Set 7.2: A 5 GLN : amide:sc= -0.9 K(o=-0.9,f=-3.1!) USER MOD Single : A 1 GLN : amide:sc= -0.771 X(o=-0.77,f=-0.81) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0.0273 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -169:sc= 1.01 USER MOD Single : A 30 SER OG : rot -53:sc= 0.103 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.229 USER MOD Single : A 39 GLN : amide:sc= -0.432 K(o=-0.43,f=-3.2!) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0679) USER MOD Single : A 47 SER OG : rot 69:sc= 0.946 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00384 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0.0666 USER MOD Single : A 63 SER OG : rot 180:sc= -0.292 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -2.65! C(o=-2.6!,f=-2.4!) USER MOD Single : A 76 LYS NZ :NH3+ -149:sc= 0 (180deg=-0.362) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.424 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot 170:sc= -0.984 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 111 THR OG1 : rot 150:sc= 0 USER MOD Single : A 112 GLN :FLIP amide:sc= -0.0425 F(o=-2.7!,f=-0.043) USER MOD Single : A 114 THR OG1 : rot -140:sc=-0.00862 USER MOD Single : A 116 SER OG : rot 180:sc=-0.00199 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 10.952 9.989 6.036 1.00 0.00 N ATOM 2 CA GLN A 1 11.516 11.269 5.533 1.00 0.00 C ATOM 3 C GLN A 1 11.234 11.449 4.046 1.00 0.00 C ATOM 4 O GLN A 1 10.835 12.527 3.605 1.00 0.00 O ATOM 5 CB GLN A 1 13.025 11.269 5.788 1.00 0.00 C ATOM 6 CG GLN A 1 13.395 11.096 7.252 1.00 0.00 C ATOM 7 CD GLN A 1 13.552 9.640 7.645 1.00 0.00 C ATOM 8 OE1 GLN A 1 12.857 9.146 8.532 1.00 0.00 O ATOM 9 NE2 GLN A 1 14.471 8.945 6.984 1.00 0.00 N ATOM 0 H1 GLN A 1 10.631 10.113 7.017 1.00 0.00 H new ATOM 0 H2 GLN A 1 10.147 9.707 5.441 1.00 0.00 H new ATOM 0 H3 GLN A 1 11.683 9.250 6.002 1.00 0.00 H new ATOM 0 HA GLN A 1 11.045 12.099 6.059 1.00 0.00 H new ATOM 0 HB2 GLN A 1 13.483 10.467 5.209 1.00 0.00 H new ATOM 0 HB3 GLN A 1 13.447 12.206 5.424 1.00 0.00 H new ATOM 0 HG2 GLN A 1 14.327 11.625 7.453 1.00 0.00 H new ATOM 0 HG3 GLN A 1 12.627 11.556 7.874 1.00 0.00 H new ATOM 0 HE21 GLN A 1 15.025 9.395 6.256 1.00 0.00 H new ATOM 0 HE22 GLN A 1 14.623 7.961 7.205 1.00 0.00 H new ATOM 20 N VAL A 2 11.445 10.386 3.276 1.00 0.00 N ATOM 21 CA VAL A 2 11.218 10.419 1.846 1.00 0.00 C ATOM 22 C VAL A 2 9.729 10.508 1.525 1.00 0.00 C ATOM 23 O VAL A 2 8.887 10.098 2.324 1.00 0.00 O ATOM 24 CB VAL A 2 11.805 9.167 1.177 1.00 0.00 C ATOM 25 CG1 VAL A 2 13.320 9.262 1.095 1.00 0.00 C ATOM 26 CG2 VAL A 2 11.381 7.908 1.919 1.00 0.00 C ATOM 0 H VAL A 2 11.775 9.487 3.628 1.00 0.00 H new ATOM 0 HA VAL A 2 11.716 11.307 1.457 1.00 0.00 H new ATOM 0 HB VAL A 2 11.413 9.108 0.162 1.00 0.00 H new ATOM 0 HG11 VAL A 2 13.716 8.365 0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 2 13.598 10.138 0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 2 13.734 9.351 2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 2 11.809 7.034 1.427 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.737 7.955 2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.294 7.831 1.914 1.00 0.00 H new ATOM 36 N GLN A 3 9.412 11.046 0.352 1.00 0.00 N ATOM 37 CA GLN A 3 8.024 11.188 -0.073 1.00 0.00 C ATOM 38 C GLN A 3 7.576 9.971 -0.876 1.00 0.00 C ATOM 39 O GLN A 3 8.401 9.200 -1.365 1.00 0.00 O ATOM 40 CB GLN A 3 7.850 12.459 -0.906 1.00 0.00 C ATOM 41 CG GLN A 3 8.773 12.528 -2.112 1.00 0.00 C ATOM 42 CD GLN A 3 8.288 13.508 -3.162 1.00 0.00 C ATOM 43 OE1 GLN A 3 8.094 13.147 -4.322 1.00 0.00 O ATOM 44 NE2 GLN A 3 8.090 14.758 -2.758 1.00 0.00 N ATOM 0 H GLN A 3 10.097 11.391 -0.321 1.00 0.00 H new ATOM 0 HA GLN A 3 7.402 11.262 0.819 1.00 0.00 H new ATOM 0 HB2 GLN A 3 6.816 12.522 -1.246 1.00 0.00 H new ATOM 0 HB3 GLN A 3 8.030 13.327 -0.271 1.00 0.00 H new ATOM 0 HG2 GLN A 3 9.772 12.817 -1.784 1.00 0.00 H new ATOM 0 HG3 GLN A 3 8.858 11.537 -2.557 1.00 0.00 H new ATOM 0 HE21 GLN A 3 8.264 15.013 -1.786 1.00 0.00 H new ATOM 0 HE22 GLN A 3 7.764 15.462 -3.420 1.00 0.00 H new ATOM 53 N LEU A 4 6.263 9.805 -1.007 1.00 0.00 N ATOM 54 CA LEU A 4 5.707 8.681 -1.751 1.00 0.00 C ATOM 55 C LEU A 4 4.422 9.083 -2.469 1.00 0.00 C ATOM 56 O LEU A 4 3.522 9.670 -1.869 1.00 0.00 O ATOM 57 CB LEU A 4 5.432 7.506 -0.809 1.00 0.00 C ATOM 58 CG LEU A 4 6.668 6.921 -0.123 1.00 0.00 C ATOM 59 CD1 LEU A 4 6.875 7.560 1.242 1.00 0.00 C ATOM 60 CD2 LEU A 4 6.539 5.410 0.008 1.00 0.00 C ATOM 0 H LEU A 4 5.566 10.434 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 4 6.439 8.376 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 4 4.730 7.832 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.941 6.714 -1.375 1.00 0.00 H new ATOM 0 HG LEU A 4 7.540 7.140 -0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.759 7.131 1.714 1.00 0.00 H new ATOM 0 HD12 LEU A 4 7.012 8.635 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 4 6.002 7.373 1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 4 7.427 5.010 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 4 5.657 5.170 0.602 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.440 4.966 -0.983 1.00 0.00 H new ATOM 72 N GLN A 5 4.343 8.761 -3.757 1.00 0.00 N ATOM 73 CA GLN A 5 3.167 9.087 -4.556 1.00 0.00 C ATOM 74 C GLN A 5 2.501 7.819 -5.081 1.00 0.00 C ATOM 75 O GLN A 5 3.140 6.774 -5.188 1.00 0.00 O ATOM 76 CB GLN A 5 3.552 9.998 -5.723 1.00 0.00 C ATOM 77 CG GLN A 5 4.596 9.394 -6.648 1.00 0.00 C ATOM 78 CD GLN A 5 6.012 9.613 -6.151 1.00 0.00 C ATOM 79 OE1 GLN A 5 6.648 8.697 -5.630 1.00 0.00 O ATOM 80 NE2 GLN A 5 6.514 10.832 -6.311 1.00 0.00 N ATOM 0 H GLN A 5 5.079 8.275 -4.269 1.00 0.00 H new ATOM 0 HA GLN A 5 2.457 9.612 -3.917 1.00 0.00 H new ATOM 0 HB2 GLN A 5 2.658 10.231 -6.301 1.00 0.00 H new ATOM 0 HB3 GLN A 5 3.931 10.940 -5.328 1.00 0.00 H new ATOM 0 HG2 GLN A 5 4.412 8.324 -6.749 1.00 0.00 H new ATOM 0 HG3 GLN A 5 4.492 9.830 -7.641 1.00 0.00 H new ATOM 0 HE21 GLN A 5 5.951 11.562 -6.748 1.00 0.00 H new ATOM 0 HE22 GLN A 5 7.462 11.038 -5.997 1.00 0.00 H new ATOM 89 N GLU A 6 1.214 7.917 -5.402 1.00 0.00 N ATOM 90 CA GLU A 6 0.461 6.773 -5.912 1.00 0.00 C ATOM 91 C GLU A 6 0.197 6.913 -7.406 1.00 0.00 C ATOM 92 O GLU A 6 0.406 7.977 -7.989 1.00 0.00 O ATOM 93 CB GLU A 6 -0.869 6.629 -5.166 1.00 0.00 C ATOM 94 CG GLU A 6 -0.811 7.072 -3.712 1.00 0.00 C ATOM 95 CD GLU A 6 -1.022 8.565 -3.551 1.00 0.00 C ATOM 96 OE1 GLU A 6 -1.990 9.094 -4.137 1.00 0.00 O ATOM 97 OE2 GLU A 6 -0.220 9.204 -2.839 1.00 0.00 O ATOM 0 H GLU A 6 0.670 8.776 -5.318 1.00 0.00 H new ATOM 0 HA GLU A 6 1.063 5.880 -5.747 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -1.630 7.213 -5.684 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -1.186 5.587 -5.206 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -1.571 6.537 -3.142 1.00 0.00 H new ATOM 0 HG3 GLU A 6 0.156 6.797 -3.290 1.00 0.00 H new ATOM 104 N SER A 7 -0.264 5.828 -8.019 1.00 0.00 N ATOM 105 CA SER A 7 -0.560 5.825 -9.447 1.00 0.00 C ATOM 106 C SER A 7 -1.523 4.695 -9.803 1.00 0.00 C ATOM 107 O SER A 7 -1.325 3.548 -9.401 1.00 0.00 O ATOM 108 CB SER A 7 0.732 5.686 -10.256 1.00 0.00 C ATOM 109 OG SER A 7 0.805 6.670 -11.274 1.00 0.00 O ATOM 0 H SER A 7 -0.441 4.940 -7.550 1.00 0.00 H new ATOM 0 HA SER A 7 -1.036 6.773 -9.696 1.00 0.00 H new ATOM 0 HB2 SER A 7 1.592 5.780 -9.593 1.00 0.00 H new ATOM 0 HB3 SER A 7 0.780 4.693 -10.702 1.00 0.00 H new ATOM 0 HG SER A 7 1.640 6.561 -11.775 1.00 0.00 H new ATOM 115 N GLY A 8 -2.563 5.028 -10.561 1.00 0.00 N ATOM 116 CA GLY A 8 -3.539 4.031 -10.961 1.00 0.00 C ATOM 117 C GLY A 8 -4.745 3.989 -10.042 1.00 0.00 C ATOM 118 O GLY A 8 -5.794 3.459 -10.410 1.00 0.00 O ATOM 0 H GLY A 8 -2.747 5.970 -10.905 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.870 4.240 -11.978 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.065 3.050 -10.976 1.00 0.00 H new ATOM 122 N GLY A 9 -4.598 4.542 -8.840 1.00 0.00 N ATOM 123 CA GLY A 9 -5.685 4.550 -7.887 1.00 0.00 C ATOM 124 C GLY A 9 -6.969 5.105 -8.464 1.00 0.00 C ATOM 125 O GLY A 9 -6.960 6.102 -9.186 1.00 0.00 O ATOM 0 H GLY A 9 -3.740 4.985 -8.512 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.860 3.534 -7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.396 5.143 -7.019 1.00 0.00 H new ATOM 129 N GLY A 10 -8.072 4.454 -8.136 1.00 0.00 N ATOM 130 CA GLY A 10 -9.366 4.884 -8.621 1.00 0.00 C ATOM 131 C GLY A 10 -10.494 4.017 -8.104 1.00 0.00 C ATOM 132 O GLY A 10 -10.299 3.196 -7.207 1.00 0.00 O ATOM 0 H GLY A 10 -8.095 3.628 -7.537 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.539 5.917 -8.320 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -9.367 4.865 -9.711 1.00 0.00 H new ATOM 136 N LEU A 11 -11.677 4.210 -8.666 1.00 0.00 N ATOM 137 CA LEU A 11 -12.853 3.461 -8.265 1.00 0.00 C ATOM 138 C LEU A 11 -12.756 1.998 -8.684 1.00 0.00 C ATOM 139 O LEU A 11 -12.064 1.660 -9.644 1.00 0.00 O ATOM 140 CB LEU A 11 -14.099 4.097 -8.869 1.00 0.00 C ATOM 141 CG LEU A 11 -14.218 5.590 -8.589 1.00 0.00 C ATOM 142 CD1 LEU A 11 -13.981 6.397 -9.857 1.00 0.00 C ATOM 143 CD2 LEU A 11 -15.574 5.924 -7.980 1.00 0.00 C ATOM 0 H LEU A 11 -11.847 4.887 -9.409 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.918 3.491 -7.177 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -14.092 3.937 -9.947 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -14.981 3.591 -8.478 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.449 5.860 -7.865 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.071 7.460 -9.634 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.981 6.190 -10.239 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.721 6.120 -10.608 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -15.633 6.996 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -16.365 5.634 -8.672 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -15.695 5.382 -7.042 1.00 0.00 H new ATOM 155 N VAL A 12 -13.458 1.136 -7.956 1.00 0.00 N ATOM 156 CA VAL A 12 -13.457 -0.292 -8.249 1.00 0.00 C ATOM 157 C VAL A 12 -14.737 -0.952 -7.747 1.00 0.00 C ATOM 158 O VAL A 12 -14.982 -1.017 -6.543 1.00 0.00 O ATOM 159 CB VAL A 12 -12.242 -0.995 -7.616 1.00 0.00 C ATOM 160 CG1 VAL A 12 -12.235 -0.802 -6.108 1.00 0.00 C ATOM 161 CG2 VAL A 12 -12.229 -2.475 -7.974 1.00 0.00 C ATOM 0 H VAL A 12 -14.035 1.402 -7.158 1.00 0.00 H new ATOM 0 HA VAL A 12 -13.398 -0.396 -9.332 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.337 -0.542 -8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.368 -1.307 -5.681 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.185 0.262 -5.878 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.146 -1.223 -5.683 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -11.362 -2.952 -7.517 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -13.140 -2.947 -7.605 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.175 -2.587 -9.057 1.00 0.00 H new ATOM 171 N GLN A 13 -15.553 -1.437 -8.679 1.00 0.00 N ATOM 172 CA GLN A 13 -16.808 -2.088 -8.340 1.00 0.00 C ATOM 173 C GLN A 13 -16.608 -3.161 -7.270 1.00 0.00 C ATOM 174 O GLN A 13 -15.586 -3.848 -7.248 1.00 0.00 O ATOM 175 CB GLN A 13 -17.423 -2.696 -9.603 1.00 0.00 C ATOM 176 CG GLN A 13 -16.841 -4.048 -9.990 1.00 0.00 C ATOM 177 CD GLN A 13 -16.630 -4.185 -11.485 1.00 0.00 C ATOM 178 OE1 GLN A 13 -17.587 -4.286 -12.252 1.00 0.00 O ATOM 179 NE2 GLN A 13 -15.371 -4.191 -11.906 1.00 0.00 N ATOM 0 H GLN A 13 -15.363 -1.389 -9.680 1.00 0.00 H new ATOM 0 HA GLN A 13 -17.487 -1.341 -7.929 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -18.497 -2.804 -9.455 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -17.284 -2.002 -10.432 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -15.889 -4.190 -9.478 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -17.508 -4.838 -9.647 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.608 -4.105 -11.234 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.166 -4.282 -12.901 1.00 0.00 H new ATOM 188 N ALA A 14 -17.590 -3.296 -6.384 1.00 0.00 N ATOM 189 CA ALA A 14 -17.529 -4.278 -5.309 1.00 0.00 C ATOM 190 C ALA A 14 -17.162 -5.661 -5.841 1.00 0.00 C ATOM 191 O ALA A 14 -17.857 -6.214 -6.692 1.00 0.00 O ATOM 192 CB ALA A 14 -18.857 -4.329 -4.568 1.00 0.00 C ATOM 0 H ALA A 14 -18.441 -2.734 -6.391 1.00 0.00 H new ATOM 0 HA ALA A 14 -16.747 -3.970 -4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -18.799 -5.066 -3.767 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -19.075 -3.349 -4.144 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.650 -4.608 -5.262 1.00 0.00 H new ATOM 198 N GLY A 15 -16.063 -6.213 -5.334 1.00 0.00 N ATOM 199 CA GLY A 15 -15.623 -7.523 -5.772 1.00 0.00 C ATOM 200 C GLY A 15 -14.684 -7.455 -6.963 1.00 0.00 C ATOM 201 O GLY A 15 -14.442 -8.462 -7.627 1.00 0.00 O ATOM 0 H GLY A 15 -15.471 -5.776 -4.628 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -15.121 -8.028 -4.947 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -16.493 -8.126 -6.034 1.00 0.00 H new ATOM 205 N GLY A 16 -14.153 -6.265 -7.232 1.00 0.00 N ATOM 206 CA GLY A 16 -13.242 -6.096 -8.349 1.00 0.00 C ATOM 207 C GLY A 16 -11.816 -5.846 -7.898 1.00 0.00 C ATOM 208 O GLY A 16 -11.572 -5.029 -7.011 1.00 0.00 O ATOM 0 H GLY A 16 -14.338 -5.417 -6.697 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -13.271 -6.987 -8.976 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -13.577 -5.261 -8.965 1.00 0.00 H new ATOM 212 N SER A 17 -10.872 -6.554 -8.509 1.00 0.00 N ATOM 213 CA SER A 17 -9.467 -6.410 -8.169 1.00 0.00 C ATOM 214 C SER A 17 -8.920 -5.072 -8.652 1.00 0.00 C ATOM 215 O SER A 17 -9.036 -4.730 -9.829 1.00 0.00 O ATOM 216 CB SER A 17 -8.668 -7.554 -8.780 1.00 0.00 C ATOM 217 OG SER A 17 -9.446 -8.736 -8.860 1.00 0.00 O ATOM 0 H SER A 17 -11.059 -7.235 -9.245 1.00 0.00 H new ATOM 0 HA SER A 17 -9.372 -6.442 -7.084 1.00 0.00 H new ATOM 0 HB2 SER A 17 -8.327 -7.272 -9.776 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.778 -7.741 -8.179 1.00 0.00 H new ATOM 0 HG SER A 17 -8.910 -9.454 -9.257 1.00 0.00 H new ATOM 223 N LEU A 18 -8.321 -4.318 -7.735 1.00 0.00 N ATOM 224 CA LEU A 18 -7.754 -3.018 -8.065 1.00 0.00 C ATOM 225 C LEU A 18 -6.260 -2.993 -7.759 1.00 0.00 C ATOM 226 O LEU A 18 -5.833 -3.399 -6.679 1.00 0.00 O ATOM 227 CB LEU A 18 -8.472 -1.918 -7.283 1.00 0.00 C ATOM 228 CG LEU A 18 -7.985 -0.501 -7.574 1.00 0.00 C ATOM 229 CD1 LEU A 18 -8.808 0.130 -8.687 1.00 0.00 C ATOM 230 CD2 LEU A 18 -8.045 0.352 -6.315 1.00 0.00 C ATOM 0 H LEU A 18 -8.217 -4.587 -6.757 1.00 0.00 H new ATOM 0 HA LEU A 18 -7.891 -2.840 -9.132 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.538 -1.973 -7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -8.356 -2.115 -6.217 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.948 -0.555 -7.904 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.446 1.140 -8.880 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.714 -0.468 -9.593 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.855 0.171 -8.387 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.694 1.359 -6.541 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.073 0.398 -5.955 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.411 -0.089 -5.546 1.00 0.00 H new ATOM 242 N ARG A 19 -5.467 -2.525 -8.718 1.00 0.00 N ATOM 243 CA ARG A 19 -4.019 -2.465 -8.545 1.00 0.00 C ATOM 244 C ARG A 19 -3.527 -1.026 -8.422 1.00 0.00 C ATOM 245 O ARG A 19 -3.741 -0.206 -9.315 1.00 0.00 O ATOM 246 CB ARG A 19 -3.317 -3.154 -9.716 1.00 0.00 C ATOM 247 CG ARG A 19 -1.846 -3.442 -9.461 1.00 0.00 C ATOM 248 CD ARG A 19 -1.119 -3.828 -10.740 1.00 0.00 C ATOM 249 NE ARG A 19 -0.670 -5.218 -10.716 1.00 0.00 N ATOM 250 CZ ARG A 19 -0.326 -5.904 -11.804 1.00 0.00 C ATOM 251 NH1 ARG A 19 -0.379 -5.334 -13.001 1.00 0.00 N ATOM 252 NH2 ARG A 19 0.073 -7.164 -11.693 1.00 0.00 N ATOM 0 H ARG A 19 -5.800 -2.183 -9.619 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.776 -2.985 -7.619 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.829 -4.091 -9.935 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.407 -2.526 -10.603 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -1.373 -2.562 -9.025 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -1.754 -4.248 -8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -1.780 -3.675 -11.593 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.260 -3.172 -10.881 1.00 0.00 H new ATOM 0 HE ARG A 19 -0.617 -5.690 -9.813 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.685 -4.365 -13.091 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -0.114 -5.865 -13.831 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.116 -7.606 -10.775 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.337 -7.691 -12.526 1.00 0.00 H new ATOM 266 N LEU A 20 -2.855 -0.734 -7.313 1.00 0.00 N ATOM 267 CA LEU A 20 -2.314 0.595 -7.068 1.00 0.00 C ATOM 268 C LEU A 20 -0.791 0.552 -7.073 1.00 0.00 C ATOM 269 O LEU A 20 -0.187 -0.369 -6.524 1.00 0.00 O ATOM 270 CB LEU A 20 -2.816 1.139 -5.729 1.00 0.00 C ATOM 271 CG LEU A 20 -4.254 0.759 -5.380 1.00 0.00 C ATOM 272 CD1 LEU A 20 -4.619 1.255 -3.989 1.00 0.00 C ATOM 273 CD2 LEU A 20 -5.212 1.316 -6.421 1.00 0.00 C ATOM 0 H LEU A 20 -2.672 -1.405 -6.567 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.653 1.258 -7.864 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.158 0.780 -4.938 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.735 2.226 -5.742 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.336 -0.328 -5.381 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.647 0.974 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.949 0.807 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.523 2.340 -3.953 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -6.233 1.038 -6.161 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.127 2.402 -6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -4.963 0.907 -7.400 1.00 0.00 H new ATOM 285 N SER A 21 -0.176 1.547 -7.696 1.00 0.00 N ATOM 286 CA SER A 21 1.278 1.614 -7.773 1.00 0.00 C ATOM 287 C SER A 21 1.797 2.902 -7.153 1.00 0.00 C ATOM 288 O SER A 21 1.478 3.996 -7.617 1.00 0.00 O ATOM 289 CB SER A 21 1.739 1.519 -9.228 1.00 0.00 C ATOM 290 OG SER A 21 3.100 1.891 -9.359 1.00 0.00 O ATOM 0 H SER A 21 -0.660 2.319 -8.155 1.00 0.00 H new ATOM 0 HA SER A 21 1.683 0.771 -7.213 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.601 0.500 -9.590 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.121 2.165 -9.851 1.00 0.00 H new ATOM 0 HG SER A 21 3.563 1.241 -9.928 1.00 0.00 H new ATOM 296 N CYS A 22 2.604 2.772 -6.106 1.00 0.00 N ATOM 297 CA CYS A 22 3.161 3.943 -5.439 1.00 0.00 C ATOM 298 C CYS A 22 4.680 3.849 -5.338 1.00 0.00 C ATOM 299 O CYS A 22 5.227 2.813 -4.961 1.00 0.00 O ATOM 300 CB CYS A 22 2.537 4.122 -4.049 1.00 0.00 C ATOM 301 SG CYS A 22 3.266 3.079 -2.743 1.00 0.00 S ATOM 0 H CYS A 22 2.885 1.878 -5.704 1.00 0.00 H new ATOM 0 HA CYS A 22 2.919 4.818 -6.042 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.633 5.167 -3.755 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.471 3.906 -4.114 1.00 0.00 H new ATOM 306 N ALA A 23 5.355 4.941 -5.681 1.00 0.00 N ATOM 307 CA ALA A 23 6.810 4.988 -5.632 1.00 0.00 C ATOM 308 C ALA A 23 7.295 5.969 -4.572 1.00 0.00 C ATOM 309 O ALA A 23 6.501 6.699 -3.978 1.00 0.00 O ATOM 310 CB ALA A 23 7.372 5.364 -6.995 1.00 0.00 C ATOM 0 H ALA A 23 4.916 5.806 -5.996 1.00 0.00 H new ATOM 0 HA ALA A 23 7.170 3.995 -5.362 1.00 0.00 H new ATOM 0 HB1 ALA A 23 8.460 5.395 -6.944 1.00 0.00 H new ATOM 0 HB2 ALA A 23 7.065 4.622 -7.732 1.00 0.00 H new ATOM 0 HB3 ALA A 23 6.994 6.344 -7.287 1.00 0.00 H new ATOM 316 N ALA A 24 8.603 5.982 -4.341 1.00 0.00 N ATOM 317 CA ALA A 24 9.196 6.874 -3.354 1.00 0.00 C ATOM 318 C ALA A 24 10.492 7.482 -3.876 1.00 0.00 C ATOM 319 O ALA A 24 11.437 6.765 -4.205 1.00 0.00 O ATOM 320 CB ALA A 24 9.446 6.129 -2.052 1.00 0.00 C ATOM 0 H ALA A 24 9.273 5.384 -4.825 1.00 0.00 H new ATOM 0 HA ALA A 24 8.494 7.686 -3.165 1.00 0.00 H new ATOM 0 HB1 ALA A 24 9.889 6.808 -1.324 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.502 5.747 -1.664 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.126 5.297 -2.234 1.00 0.00 H new ATOM 326 N SER A 25 10.530 8.808 -3.950 1.00 0.00 N ATOM 327 CA SER A 25 11.711 9.513 -4.433 1.00 0.00 C ATOM 328 C SER A 25 12.742 9.674 -3.321 1.00 0.00 C ATOM 329 O SER A 25 12.533 10.429 -2.371 1.00 0.00 O ATOM 330 CB SER A 25 11.321 10.885 -4.985 1.00 0.00 C ATOM 331 OG SER A 25 12.468 11.673 -5.252 1.00 0.00 O ATOM 0 H SER A 25 9.756 9.416 -3.682 1.00 0.00 H new ATOM 0 HA SER A 25 12.155 8.920 -5.232 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.741 10.761 -5.899 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.681 11.400 -4.269 1.00 0.00 H new ATOM 0 HG SER A 25 12.191 12.544 -5.605 1.00 0.00 H new ATOM 337 N GLY A 26 13.854 8.958 -3.447 1.00 0.00 N ATOM 338 CA GLY A 26 14.903 9.032 -2.447 1.00 0.00 C ATOM 339 C GLY A 26 15.895 7.891 -2.563 1.00 0.00 C ATOM 340 O GLY A 26 15.799 7.067 -3.473 1.00 0.00 O ATOM 0 H GLY A 26 14.048 8.327 -4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.431 9.980 -2.548 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.455 9.021 -1.453 1.00 0.00 H new ATOM 344 N ARG A 27 16.850 7.840 -1.640 1.00 0.00 N ATOM 345 CA ARG A 27 17.863 6.790 -1.646 1.00 0.00 C ATOM 346 C ARG A 27 17.617 5.789 -0.522 1.00 0.00 C ATOM 347 O ARG A 27 17.299 6.171 0.604 1.00 0.00 O ATOM 348 CB ARG A 27 19.259 7.398 -1.505 1.00 0.00 C ATOM 349 CG ARG A 27 20.378 6.370 -1.558 1.00 0.00 C ATOM 350 CD ARG A 27 21.577 6.809 -0.733 1.00 0.00 C ATOM 351 NE ARG A 27 22.423 7.756 -1.456 1.00 0.00 N ATOM 352 CZ ARG A 27 23.310 7.400 -2.382 1.00 0.00 C ATOM 353 NH1 ARG A 27 23.471 6.122 -2.702 1.00 0.00 N ATOM 354 NH2 ARG A 27 24.039 8.325 -2.991 1.00 0.00 N ATOM 0 H ARG A 27 16.944 8.513 -0.879 1.00 0.00 H new ATOM 0 HA ARG A 27 17.798 6.263 -2.598 1.00 0.00 H new ATOM 0 HB2 ARG A 27 19.410 8.129 -2.300 1.00 0.00 H new ATOM 0 HB3 ARG A 27 19.317 7.938 -0.560 1.00 0.00 H new ATOM 0 HG2 ARG A 27 20.012 5.412 -1.188 1.00 0.00 H new ATOM 0 HG3 ARG A 27 20.684 6.216 -2.593 1.00 0.00 H new ATOM 0 HD2 ARG A 27 21.231 7.267 0.194 1.00 0.00 H new ATOM 0 HD3 ARG A 27 22.166 5.935 -0.456 1.00 0.00 H new ATOM 0 HE ARG A 27 22.328 8.748 -1.238 1.00 0.00 H new ATOM 0 HH11 ARG A 27 22.913 5.406 -2.237 1.00 0.00 H new ATOM 0 HH12 ARG A 27 24.153 5.856 -3.413 1.00 0.00 H new ATOM 0 HH21 ARG A 27 23.920 9.309 -2.750 1.00 0.00 H new ATOM 0 HH22 ARG A 27 24.719 8.053 -3.701 1.00 0.00 H new ATOM 368 N THR A 28 17.769 4.507 -0.837 1.00 0.00 N ATOM 369 CA THR A 28 17.566 3.448 0.146 1.00 0.00 C ATOM 370 C THR A 28 18.904 2.917 0.654 1.00 0.00 C ATOM 371 O THR A 28 19.964 3.404 0.261 1.00 0.00 O ATOM 372 CB THR A 28 16.750 2.306 -0.463 1.00 0.00 C ATOM 373 OG1 THR A 28 17.251 1.956 -1.741 1.00 0.00 O ATOM 374 CG2 THR A 28 15.282 2.637 -0.620 1.00 0.00 C ATOM 0 H THR A 28 18.032 4.176 -1.765 1.00 0.00 H new ATOM 0 HA THR A 28 17.016 3.868 0.988 1.00 0.00 H new ATOM 0 HB THR A 28 16.846 1.477 0.239 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.622 1.348 -2.184 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.762 1.785 -1.057 1.00 0.00 H new ATOM 0 HG22 THR A 28 14.853 2.862 0.357 1.00 0.00 H new ATOM 0 HG23 THR A 28 15.172 3.503 -1.273 1.00 0.00 H new ATOM 382 N GLY A 29 18.849 1.917 1.529 1.00 0.00 N ATOM 383 CA GLY A 29 20.063 1.342 2.072 1.00 0.00 C ATOM 384 C GLY A 29 19.972 1.076 3.560 1.00 0.00 C ATOM 385 O GLY A 29 20.663 0.204 4.088 1.00 0.00 O ATOM 0 H GLY A 29 17.985 1.496 1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 29 20.281 0.408 1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 29 20.897 2.016 1.878 1.00 0.00 H new ATOM 389 N SER A 30 19.121 1.834 4.236 1.00 0.00 N ATOM 390 CA SER A 30 18.937 1.691 5.676 1.00 0.00 C ATOM 391 C SER A 30 17.765 0.768 5.994 1.00 0.00 C ATOM 392 O SER A 30 17.033 0.994 6.957 1.00 0.00 O ATOM 393 CB SER A 30 18.697 3.059 6.313 1.00 0.00 C ATOM 394 OG SER A 30 18.942 3.022 7.709 1.00 0.00 O ATOM 0 H SER A 30 18.544 2.558 3.809 1.00 0.00 H new ATOM 0 HA SER A 30 19.845 1.250 6.087 1.00 0.00 H new ATOM 0 HB2 SER A 30 19.346 3.800 5.846 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.670 3.374 6.129 1.00 0.00 H new ATOM 0 HG SER A 30 18.416 2.301 8.114 1.00 0.00 H new ATOM 400 N THR A 31 17.588 -0.268 5.183 1.00 0.00 N ATOM 401 CA THR A 31 16.497 -1.215 5.387 1.00 0.00 C ATOM 402 C THR A 31 15.150 -0.535 5.170 1.00 0.00 C ATOM 403 O THR A 31 14.161 -0.866 5.824 1.00 0.00 O ATOM 404 CB THR A 31 16.562 -1.809 6.797 1.00 0.00 C ATOM 405 OG1 THR A 31 17.896 -1.822 7.274 1.00 0.00 O ATOM 406 CG2 THR A 31 16.033 -3.224 6.877 1.00 0.00 C ATOM 0 H THR A 31 18.183 -0.474 4.381 1.00 0.00 H new ATOM 0 HA THR A 31 16.603 -2.020 4.660 1.00 0.00 H new ATOM 0 HB THR A 31 15.929 -1.167 7.409 1.00 0.00 H new ATOM 0 HG1 THR A 31 17.917 -2.203 8.177 1.00 0.00 H new ATOM 0 HG21 THR A 31 16.109 -3.583 7.903 1.00 0.00 H new ATOM 0 HG22 THR A 31 14.989 -3.241 6.563 1.00 0.00 H new ATOM 0 HG23 THR A 31 16.619 -3.869 6.223 1.00 0.00 H new ATOM 414 N TYR A 32 15.123 0.420 4.247 1.00 0.00 N ATOM 415 CA TYR A 32 13.904 1.157 3.938 1.00 0.00 C ATOM 416 C TYR A 32 12.889 0.254 3.236 1.00 0.00 C ATOM 417 O TYR A 32 13.177 -0.327 2.190 1.00 0.00 O ATOM 418 CB TYR A 32 14.245 2.370 3.062 1.00 0.00 C ATOM 419 CG TYR A 32 13.083 2.925 2.266 1.00 0.00 C ATOM 420 CD1 TYR A 32 12.655 2.302 1.100 1.00 0.00 C ATOM 421 CD2 TYR A 32 12.423 4.075 2.676 1.00 0.00 C ATOM 422 CE1 TYR A 32 11.600 2.810 0.366 1.00 0.00 C ATOM 423 CE2 TYR A 32 11.369 4.590 1.948 1.00 0.00 C ATOM 424 CZ TYR A 32 10.961 3.954 0.794 1.00 0.00 C ATOM 425 OH TYR A 32 9.910 4.463 0.067 1.00 0.00 O ATOM 0 H TYR A 32 15.935 0.702 3.698 1.00 0.00 H new ATOM 0 HA TYR A 32 13.455 1.505 4.868 1.00 0.00 H new ATOM 0 HB2 TYR A 32 14.641 3.161 3.699 1.00 0.00 H new ATOM 0 HB3 TYR A 32 15.040 2.089 2.371 1.00 0.00 H new ATOM 0 HD1 TYR A 32 13.155 1.406 0.762 1.00 0.00 H new ATOM 0 HD2 TYR A 32 12.739 4.575 3.579 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.278 2.314 -0.538 1.00 0.00 H new ATOM 0 HE2 TYR A 32 10.866 5.486 2.280 1.00 0.00 H new ATOM 0 HH TYR A 32 9.664 5.343 0.421 1.00 0.00 H new ATOM 435 N ASP A 33 11.702 0.145 3.825 1.00 0.00 N ATOM 436 CA ASP A 33 10.640 -0.684 3.264 1.00 0.00 C ATOM 437 C ASP A 33 9.506 0.182 2.723 1.00 0.00 C ATOM 438 O ASP A 33 9.555 1.409 2.813 1.00 0.00 O ATOM 439 CB ASP A 33 10.103 -1.643 4.328 1.00 0.00 C ATOM 440 CG ASP A 33 11.197 -2.489 4.950 1.00 0.00 C ATOM 441 OD1 ASP A 33 12.195 -2.772 4.255 1.00 0.00 O ATOM 442 OD2 ASP A 33 11.055 -2.868 6.131 1.00 0.00 O ATOM 0 H ASP A 33 11.451 0.621 4.692 1.00 0.00 H new ATOM 0 HA ASP A 33 11.057 -1.262 2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.602 -1.071 5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.354 -2.295 3.880 1.00 0.00 H new ATOM 447 N MET A 34 8.487 -0.461 2.161 1.00 0.00 N ATOM 448 CA MET A 34 7.345 0.261 1.607 1.00 0.00 C ATOM 449 C MET A 34 6.070 -0.571 1.702 1.00 0.00 C ATOM 450 O MET A 34 6.045 -1.732 1.298 1.00 0.00 O ATOM 451 CB MET A 34 7.615 0.643 0.150 1.00 0.00 C ATOM 452 CG MET A 34 7.245 2.080 -0.180 1.00 0.00 C ATOM 453 SD MET A 34 6.869 2.318 -1.928 1.00 0.00 S ATOM 454 CE MET A 34 8.445 2.912 -2.537 1.00 0.00 C ATOM 0 H MET A 34 8.428 -1.476 2.077 1.00 0.00 H new ATOM 0 HA MET A 34 7.204 1.169 2.193 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.672 0.490 -0.067 1.00 0.00 H new ATOM 0 HB3 MET A 34 7.055 -0.027 -0.502 1.00 0.00 H new ATOM 0 HG2 MET A 34 6.382 2.375 0.417 1.00 0.00 H new ATOM 0 HG3 MET A 34 8.067 2.737 0.103 1.00 0.00 H new ATOM 0 HE1 MET A 34 8.284 3.778 -3.179 1.00 0.00 H new ATOM 0 HE2 MET A 34 9.077 3.196 -1.695 1.00 0.00 H new ATOM 0 HE3 MET A 34 8.935 2.123 -3.108 1.00 0.00 H new ATOM 464 N GLY A 35 5.012 0.032 2.239 1.00 0.00 N ATOM 465 CA GLY A 35 3.749 -0.672 2.377 1.00 0.00 C ATOM 466 C GLY A 35 2.549 0.252 2.303 1.00 0.00 C ATOM 467 O GLY A 35 2.653 1.440 2.605 1.00 0.00 O ATOM 0 H GLY A 35 5.007 0.993 2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.671 -1.425 1.593 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.736 -1.201 3.330 1.00 0.00 H new ATOM 471 N TRP A 36 1.406 -0.295 1.898 1.00 0.00 N ATOM 472 CA TRP A 36 0.184 0.483 1.783 1.00 0.00 C ATOM 473 C TRP A 36 -0.527 0.597 3.123 1.00 0.00 C ATOM 474 O TRP A 36 -0.347 -0.237 4.012 1.00 0.00 O ATOM 475 CB TRP A 36 -0.743 -0.149 0.756 1.00 0.00 C ATOM 476 CG TRP A 36 -0.238 -0.042 -0.650 1.00 0.00 C ATOM 477 CD1 TRP A 36 0.634 -0.887 -1.274 1.00 0.00 C ATOM 478 CD2 TRP A 36 -0.576 0.967 -1.608 1.00 0.00 C ATOM 479 NE1 TRP A 36 0.861 -0.463 -2.562 1.00 0.00 N ATOM 480 CE2 TRP A 36 0.129 0.672 -2.791 1.00 0.00 C ATOM 481 CE3 TRP A 36 -1.406 2.091 -1.582 1.00 0.00 C ATOM 482 CZ2 TRP A 36 0.029 1.461 -3.934 1.00 0.00 C ATOM 483 CZ3 TRP A 36 -1.505 2.874 -2.717 1.00 0.00 C ATOM 484 CH2 TRP A 36 -0.791 2.555 -3.879 1.00 0.00 C ATOM 0 H TRP A 36 1.304 -1.278 1.644 1.00 0.00 H new ATOM 0 HA TRP A 36 0.454 1.487 1.457 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.884 -1.201 1.004 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.721 0.327 0.820 1.00 0.00 H new ATOM 0 HD1 TRP A 36 1.080 -1.761 -0.822 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.475 -0.919 -3.237 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.961 2.344 -0.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.579 1.218 -4.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.143 3.745 -2.708 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.890 3.186 -4.750 1.00 0.00 H new ATOM 495 N PHE A 37 -1.327 1.646 3.262 1.00 0.00 N ATOM 496 CA PHE A 37 -2.060 1.896 4.484 1.00 0.00 C ATOM 497 C PHE A 37 -3.483 2.345 4.170 1.00 0.00 C ATOM 498 O PHE A 37 -3.874 2.431 3.006 1.00 0.00 O ATOM 499 CB PHE A 37 -1.345 2.981 5.284 1.00 0.00 C ATOM 500 CG PHE A 37 -0.316 2.460 6.245 1.00 0.00 C ATOM 501 CD1 PHE A 37 0.820 1.814 5.784 1.00 0.00 C ATOM 502 CD2 PHE A 37 -0.481 2.624 7.612 1.00 0.00 C ATOM 503 CE1 PHE A 37 1.770 1.338 6.667 1.00 0.00 C ATOM 504 CE2 PHE A 37 0.467 2.151 8.499 1.00 0.00 C ATOM 505 CZ PHE A 37 1.593 1.506 8.026 1.00 0.00 C ATOM 0 H PHE A 37 -1.482 2.341 2.532 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.106 0.975 5.066 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.862 3.670 4.590 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -2.086 3.555 5.839 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.964 1.681 4.722 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -1.360 3.127 7.987 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.650 0.835 6.295 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.328 2.286 9.561 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.334 1.134 8.718 1.00 0.00 H new ATOM 515 N ARG A 38 -4.250 2.641 5.213 1.00 0.00 N ATOM 516 CA ARG A 38 -5.625 3.095 5.043 1.00 0.00 C ATOM 517 C ARG A 38 -6.024 4.057 6.156 1.00 0.00 C ATOM 518 O ARG A 38 -5.410 4.075 7.224 1.00 0.00 O ATOM 519 CB ARG A 38 -6.593 1.917 5.011 1.00 0.00 C ATOM 520 CG ARG A 38 -5.946 0.584 4.673 1.00 0.00 C ATOM 521 CD ARG A 38 -6.989 -0.497 4.434 1.00 0.00 C ATOM 522 NE ARG A 38 -7.495 -1.056 5.685 1.00 0.00 N ATOM 523 CZ ARG A 38 -8.637 -1.731 5.788 1.00 0.00 C ATOM 524 NH1 ARG A 38 -9.395 -1.934 4.717 1.00 0.00 N ATOM 525 NH2 ARG A 38 -9.023 -2.203 6.966 1.00 0.00 N ATOM 0 H ARG A 38 -3.944 2.575 6.184 1.00 0.00 H new ATOM 0 HA ARG A 38 -5.679 3.618 4.088 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.079 1.835 5.983 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -7.374 2.124 4.280 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.325 0.695 3.784 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -5.287 0.282 5.487 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -7.818 -0.081 3.862 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -6.554 -1.294 3.831 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.940 -0.921 6.530 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -9.103 -1.572 3.809 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.269 -2.452 4.802 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.445 -2.048 7.792 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -9.898 -2.721 7.046 1.00 0.00 H new ATOM 539 N GLN A 39 -7.058 4.855 5.902 1.00 0.00 N ATOM 540 CA GLN A 39 -7.538 5.818 6.886 1.00 0.00 C ATOM 541 C GLN A 39 -9.019 6.126 6.677 1.00 0.00 C ATOM 542 O GLN A 39 -9.395 6.790 5.711 1.00 0.00 O ATOM 543 CB GLN A 39 -6.718 7.108 6.808 1.00 0.00 C ATOM 544 CG GLN A 39 -6.217 7.592 8.158 1.00 0.00 C ATOM 545 CD GLN A 39 -7.346 7.962 9.100 1.00 0.00 C ATOM 546 OE1 GLN A 39 -8.483 8.165 8.674 1.00 0.00 O ATOM 547 NE2 GLN A 39 -7.036 8.053 10.388 1.00 0.00 N ATOM 0 H GLN A 39 -7.578 4.853 5.024 1.00 0.00 H new ATOM 0 HA GLN A 39 -7.418 5.377 7.876 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.865 6.947 6.149 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -7.328 7.889 6.354 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.607 6.813 8.616 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -5.571 8.458 8.013 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -6.080 7.876 10.696 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.754 8.300 11.069 1.00 0.00 H new ATOM 556 N ALA A 40 -9.853 5.645 7.594 1.00 0.00 N ATOM 557 CA ALA A 40 -11.291 5.873 7.517 1.00 0.00 C ATOM 558 C ALA A 40 -11.722 6.945 8.515 1.00 0.00 C ATOM 559 O ALA A 40 -11.063 7.153 9.534 1.00 0.00 O ATOM 560 CB ALA A 40 -12.048 4.577 7.768 1.00 0.00 C ATOM 0 H ALA A 40 -9.557 5.094 8.400 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.529 6.225 6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -13.120 4.764 7.707 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -11.765 3.839 7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -11.802 4.198 8.760 1.00 0.00 H new ATOM 566 N PRO A 41 -12.835 7.645 8.237 1.00 0.00 N ATOM 567 CA PRO A 41 -13.339 8.701 9.120 1.00 0.00 C ATOM 568 C PRO A 41 -13.877 8.153 10.430 1.00 0.00 C ATOM 569 O PRO A 41 -14.509 7.098 10.466 1.00 0.00 O ATOM 570 CB PRO A 41 -14.453 9.355 8.302 1.00 0.00 C ATOM 571 CG PRO A 41 -14.904 8.293 7.359 1.00 0.00 C ATOM 572 CD PRO A 41 -13.684 7.471 7.043 1.00 0.00 C ATOM 0 HA PRO A 41 -12.552 9.397 9.412 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -15.270 9.689 8.942 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.088 10.231 7.766 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -15.683 7.677 7.809 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -15.326 8.729 6.453 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -13.937 6.423 6.879 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.185 7.823 6.140 1.00 0.00 H new ATOM 580 N GLY A 42 -13.596 8.872 11.511 1.00 0.00 N ATOM 581 CA GLY A 42 -14.031 8.438 12.820 1.00 0.00 C ATOM 582 C GLY A 42 -13.147 7.333 13.368 1.00 0.00 C ATOM 583 O GLY A 42 -13.280 6.939 14.526 1.00 0.00 O ATOM 0 H GLY A 42 -13.074 9.748 11.501 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -14.022 9.285 13.506 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -15.061 8.085 12.763 1.00 0.00 H new ATOM 587 N LYS A 43 -12.246 6.826 12.526 1.00 0.00 N ATOM 588 CA LYS A 43 -11.346 5.759 12.917 1.00 0.00 C ATOM 589 C LYS A 43 -9.893 6.218 12.844 1.00 0.00 C ATOM 590 O LYS A 43 -9.610 7.365 12.497 1.00 0.00 O ATOM 591 CB LYS A 43 -11.561 4.572 11.989 1.00 0.00 C ATOM 592 CG LYS A 43 -11.290 3.223 12.637 1.00 0.00 C ATOM 593 CD LYS A 43 -12.476 2.284 12.488 1.00 0.00 C ATOM 594 CE LYS A 43 -12.059 0.830 12.637 1.00 0.00 C ATOM 595 NZ LYS A 43 -11.379 0.577 13.937 1.00 0.00 N ATOM 0 H LYS A 43 -12.126 7.145 11.565 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.558 5.473 13.947 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.589 4.589 11.626 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.914 4.682 11.119 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.408 2.771 12.183 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.068 3.365 13.695 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.229 2.526 13.238 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.938 2.433 11.512 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.938 0.190 12.557 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.391 0.558 11.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.278 -0.448 14.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.438 1.020 13.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.945 0.982 14.710 1.00 0.00 H new ATOM 609 N GLU A 44 -8.975 5.313 13.164 1.00 0.00 N ATOM 610 CA GLU A 44 -7.552 5.620 13.124 1.00 0.00 C ATOM 611 C GLU A 44 -6.918 5.055 11.858 1.00 0.00 C ATOM 612 O GLU A 44 -7.551 4.296 11.124 1.00 0.00 O ATOM 613 CB GLU A 44 -6.846 5.057 14.360 1.00 0.00 C ATOM 614 CG GLU A 44 -7.304 3.659 14.746 1.00 0.00 C ATOM 615 CD GLU A 44 -7.150 2.661 13.616 1.00 0.00 C ATOM 616 OE1 GLU A 44 -6.080 2.653 12.972 1.00 0.00 O ATOM 617 OE2 GLU A 44 -8.100 1.886 13.375 1.00 0.00 O ATOM 0 H GLU A 44 -9.192 4.360 13.454 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.438 6.704 13.119 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.772 5.039 14.177 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.015 5.730 15.201 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.730 3.318 15.607 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -8.349 3.695 15.053 1.00 0.00 H new ATOM 624 N ARG A 45 -5.668 5.427 11.602 1.00 0.00 N ATOM 625 CA ARG A 45 -4.963 4.949 10.418 1.00 0.00 C ATOM 626 C ARG A 45 -4.447 3.527 10.631 1.00 0.00 C ATOM 627 O ARG A 45 -3.813 3.230 11.644 1.00 0.00 O ATOM 628 CB ARG A 45 -3.816 5.907 10.050 1.00 0.00 C ATOM 629 CG ARG A 45 -2.442 5.500 10.574 1.00 0.00 C ATOM 630 CD ARG A 45 -2.316 5.736 12.070 1.00 0.00 C ATOM 631 NE ARG A 45 -1.236 6.669 12.384 1.00 0.00 N ATOM 632 CZ ARG A 45 -1.073 7.243 13.574 1.00 0.00 C ATOM 633 NH1 ARG A 45 -1.917 6.982 14.566 1.00 0.00 N ATOM 634 NH2 ARG A 45 -0.064 8.080 13.774 1.00 0.00 N ATOM 0 H ARG A 45 -5.125 6.055 12.195 1.00 0.00 H new ATOM 0 HA ARG A 45 -5.665 4.926 9.584 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.765 5.988 8.964 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.055 6.899 10.433 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -2.267 4.446 10.356 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -1.671 6.066 10.051 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -3.257 6.126 12.457 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -2.134 4.787 12.574 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.567 6.894 11.647 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -2.695 6.339 14.418 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.787 7.425 15.476 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.587 8.284 13.016 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.061 8.520 14.686 1.00 0.00 H new ATOM 648 N GLU A 46 -4.723 2.654 9.668 1.00 0.00 N ATOM 649 CA GLU A 46 -4.286 1.265 9.747 1.00 0.00 C ATOM 650 C GLU A 46 -3.568 0.855 8.467 1.00 0.00 C ATOM 651 O GLU A 46 -3.931 1.293 7.376 1.00 0.00 O ATOM 652 CB GLU A 46 -5.481 0.343 9.996 1.00 0.00 C ATOM 653 CG GLU A 46 -6.491 0.334 8.860 1.00 0.00 C ATOM 654 CD GLU A 46 -7.902 0.633 9.328 1.00 0.00 C ATOM 655 OE1 GLU A 46 -8.188 0.416 10.524 1.00 0.00 O ATOM 656 OE2 GLU A 46 -8.719 1.084 8.499 1.00 0.00 O ATOM 0 H GLU A 46 -5.247 2.884 8.824 1.00 0.00 H new ATOM 0 HA GLU A 46 -3.591 1.173 10.581 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -5.118 -0.672 10.156 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.982 0.651 10.914 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -6.197 1.071 8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.474 -0.640 8.372 1.00 0.00 H new ATOM 663 N SER A 47 -2.548 0.016 8.603 1.00 0.00 N ATOM 664 CA SER A 47 -1.783 -0.442 7.460 1.00 0.00 C ATOM 665 C SER A 47 -2.499 -1.575 6.742 1.00 0.00 C ATOM 666 O SER A 47 -3.538 -2.059 7.191 1.00 0.00 O ATOM 667 CB SER A 47 -0.395 -0.903 7.900 1.00 0.00 C ATOM 668 OG SER A 47 0.480 -1.022 6.792 1.00 0.00 O ATOM 0 H SER A 47 -2.234 -0.359 9.498 1.00 0.00 H new ATOM 0 HA SER A 47 -1.680 0.394 6.769 1.00 0.00 H new ATOM 0 HB2 SER A 47 0.017 -0.193 8.617 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.472 -1.863 8.410 1.00 0.00 H new ATOM 0 HG SER A 47 0.678 -0.131 6.434 1.00 0.00 H new ATOM 674 N VAL A 48 -1.928 -1.986 5.624 1.00 0.00 N ATOM 675 CA VAL A 48 -2.496 -3.063 4.821 1.00 0.00 C ATOM 676 C VAL A 48 -1.439 -4.097 4.452 1.00 0.00 C ATOM 677 O VAL A 48 -1.460 -5.223 4.949 1.00 0.00 O ATOM 678 CB VAL A 48 -3.141 -2.531 3.529 1.00 0.00 C ATOM 679 CG1 VAL A 48 -4.190 -3.503 3.013 1.00 0.00 C ATOM 680 CG2 VAL A 48 -3.746 -1.154 3.754 1.00 0.00 C ATOM 0 H VAL A 48 -1.067 -1.590 5.247 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.264 -3.532 5.436 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.361 -2.438 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.634 -3.108 2.099 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.723 -4.465 2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.967 -3.634 3.766 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.196 -0.798 2.827 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.510 -1.215 4.529 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.966 -0.461 4.068 1.00 0.00 H new ATOM 690 N ALA A 49 -0.517 -3.711 3.577 1.00 0.00 N ATOM 691 CA ALA A 49 0.544 -4.611 3.144 1.00 0.00 C ATOM 692 C ALA A 49 1.864 -3.871 2.994 1.00 0.00 C ATOM 693 O ALA A 49 1.919 -2.789 2.410 1.00 0.00 O ATOM 694 CB ALA A 49 0.161 -5.287 1.837 1.00 0.00 C ATOM 0 H ALA A 49 -0.483 -2.783 3.155 1.00 0.00 H new ATOM 0 HA ALA A 49 0.674 -5.375 3.910 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.963 -5.957 1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -0.756 -5.860 1.978 1.00 0.00 H new ATOM 0 HB3 ALA A 49 0.001 -4.530 1.069 1.00 0.00 H new ATOM 700 N ALA A 50 2.928 -4.460 3.527 1.00 0.00 N ATOM 701 CA ALA A 50 4.248 -3.851 3.454 1.00 0.00 C ATOM 702 C ALA A 50 5.290 -4.841 2.952 1.00 0.00 C ATOM 703 O ALA A 50 5.243 -6.025 3.275 1.00 0.00 O ATOM 704 CB ALA A 50 4.647 -3.306 4.814 1.00 0.00 C ATOM 0 H ALA A 50 2.902 -5.356 4.013 1.00 0.00 H new ATOM 0 HA ALA A 50 4.201 -3.029 2.740 1.00 0.00 H new ATOM 0 HB1 ALA A 50 5.636 -2.853 4.748 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.924 -2.555 5.131 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.668 -4.119 5.540 1.00 0.00 H new ATOM 710 N ILE A 51 6.234 -4.344 2.163 1.00 0.00 N ATOM 711 CA ILE A 51 7.292 -5.183 1.616 1.00 0.00 C ATOM 712 C ILE A 51 8.666 -4.647 1.995 1.00 0.00 C ATOM 713 O ILE A 51 8.883 -3.433 2.032 1.00 0.00 O ATOM 714 CB ILE A 51 7.194 -5.284 0.081 1.00 0.00 C ATOM 715 CG1 ILE A 51 8.258 -6.240 -0.466 1.00 0.00 C ATOM 716 CG2 ILE A 51 7.332 -3.908 -0.554 1.00 0.00 C ATOM 717 CD1 ILE A 51 7.946 -7.699 -0.215 1.00 0.00 C ATOM 0 H ILE A 51 6.288 -3.363 1.888 1.00 0.00 H new ATOM 0 HA ILE A 51 7.162 -6.177 2.044 1.00 0.00 H new ATOM 0 HB ILE A 51 6.213 -5.683 -0.175 1.00 0.00 H new ATOM 0 HG12 ILE A 51 8.363 -6.079 -1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 51 9.219 -5.999 -0.012 1.00 0.00 H new ATOM 0 HG21 ILE A 51 7.260 -3.999 -1.638 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.536 -3.258 -0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.299 -3.480 -0.289 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.742 -8.318 -0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.870 -7.876 0.858 1.00 0.00 H new ATOM 0 HD13 ILE A 51 7.001 -7.956 -0.693 1.00 0.00 H new ATOM 729 N ASN A 52 9.589 -5.559 2.273 1.00 0.00 N ATOM 730 CA ASN A 52 10.946 -5.180 2.647 1.00 0.00 C ATOM 731 C ASN A 52 11.773 -4.828 1.415 1.00 0.00 C ATOM 732 O ASN A 52 11.229 -4.603 0.334 1.00 0.00 O ATOM 733 CB ASN A 52 11.618 -6.308 3.424 1.00 0.00 C ATOM 734 CG ASN A 52 12.475 -5.797 4.566 1.00 0.00 C ATOM 735 OD1 ASN A 52 13.687 -5.632 4.422 1.00 0.00 O ATOM 736 ND2 ASN A 52 11.849 -5.543 5.709 1.00 0.00 N ATOM 0 H ASN A 52 9.423 -6.565 2.247 1.00 0.00 H new ATOM 0 HA ASN A 52 10.886 -4.298 3.284 1.00 0.00 H new ATOM 0 HB2 ASN A 52 10.854 -6.978 3.819 1.00 0.00 H new ATOM 0 HB3 ASN A 52 12.236 -6.895 2.745 1.00 0.00 H new ATOM 0 HD21 ASN A 52 12.374 -5.197 6.512 1.00 0.00 H new ATOM 0 HD22 ASN A 52 10.843 -5.694 5.784 1.00 0.00 H new ATOM 743 N TRP A 53 13.088 -4.780 1.586 1.00 0.00 N ATOM 744 CA TRP A 53 13.991 -4.456 0.491 1.00 0.00 C ATOM 745 C TRP A 53 14.795 -5.684 0.073 1.00 0.00 C ATOM 746 O TRP A 53 16.017 -5.720 0.218 1.00 0.00 O ATOM 747 CB TRP A 53 14.934 -3.327 0.909 1.00 0.00 C ATOM 748 CG TRP A 53 15.360 -2.455 -0.230 1.00 0.00 C ATOM 749 CD1 TRP A 53 16.592 -2.418 -0.813 1.00 0.00 C ATOM 750 CD2 TRP A 53 14.556 -1.495 -0.925 1.00 0.00 C ATOM 751 NE1 TRP A 53 16.606 -1.493 -1.830 1.00 0.00 N ATOM 752 CE2 TRP A 53 15.367 -0.914 -1.919 1.00 0.00 C ATOM 753 CE3 TRP A 53 13.230 -1.071 -0.806 1.00 0.00 C ATOM 754 CZ2 TRP A 53 14.894 0.069 -2.786 1.00 0.00 C ATOM 755 CZ3 TRP A 53 12.761 -0.096 -1.666 1.00 0.00 C ATOM 756 CH2 TRP A 53 13.591 0.464 -2.646 1.00 0.00 C ATOM 0 H TRP A 53 13.553 -4.962 2.475 1.00 0.00 H new ATOM 0 HA TRP A 53 13.397 -4.128 -0.362 1.00 0.00 H new ATOM 0 HB2 TRP A 53 14.441 -2.713 1.663 1.00 0.00 H new ATOM 0 HB3 TRP A 53 15.819 -3.758 1.378 1.00 0.00 H new ATOM 0 HD1 TRP A 53 17.434 -3.027 -0.519 1.00 0.00 H new ATOM 0 HE1 TRP A 53 17.407 -1.274 -2.422 1.00 0.00 H new ATOM 0 HE3 TRP A 53 12.582 -1.498 -0.055 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 15.532 0.503 -3.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 11.738 0.240 -1.581 1.00 0.00 H new ATOM 0 HH2 TRP A 53 13.195 1.223 -3.304 1.00 0.00 H new ATOM 767 N ASP A 54 14.098 -6.691 -0.445 1.00 0.00 N ATOM 768 CA ASP A 54 14.745 -7.923 -0.880 1.00 0.00 C ATOM 769 C ASP A 54 15.430 -8.615 0.295 1.00 0.00 C ATOM 770 O ASP A 54 16.634 -8.870 0.264 1.00 0.00 O ATOM 771 CB ASP A 54 15.765 -7.627 -1.983 1.00 0.00 C ATOM 772 CG ASP A 54 15.156 -7.701 -3.369 1.00 0.00 C ATOM 773 OD1 ASP A 54 13.915 -7.612 -3.479 1.00 0.00 O ATOM 774 OD2 ASP A 54 15.921 -7.848 -4.346 1.00 0.00 O ATOM 0 H ASP A 54 13.086 -6.678 -0.573 1.00 0.00 H new ATOM 0 HA ASP A 54 13.980 -8.590 -1.277 1.00 0.00 H new ATOM 0 HB2 ASP A 54 16.187 -6.634 -1.827 1.00 0.00 H new ATOM 0 HB3 ASP A 54 16.589 -8.338 -1.913 1.00 0.00 H new ATOM 779 N SER A 55 14.655 -8.911 1.334 1.00 0.00 N ATOM 780 CA SER A 55 15.187 -9.568 2.522 1.00 0.00 C ATOM 781 C SER A 55 14.439 -10.864 2.816 1.00 0.00 C ATOM 782 O SER A 55 14.980 -11.957 2.641 1.00 0.00 O ATOM 783 CB SER A 55 15.099 -8.631 3.729 1.00 0.00 C ATOM 784 OG SER A 55 16.003 -7.547 3.600 1.00 0.00 O ATOM 0 H SER A 55 13.657 -8.706 1.377 1.00 0.00 H new ATOM 0 HA SER A 55 16.232 -9.812 2.331 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.082 -8.251 3.825 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.319 -9.186 4.641 1.00 0.00 H new ATOM 0 HG SER A 55 15.541 -6.709 3.810 1.00 0.00 H new ATOM 790 N ALA A 56 13.195 -10.738 3.269 1.00 0.00 N ATOM 791 CA ALA A 56 12.381 -11.901 3.593 1.00 0.00 C ATOM 792 C ALA A 56 11.168 -12.008 2.674 1.00 0.00 C ATOM 793 O ALA A 56 11.112 -12.877 1.803 1.00 0.00 O ATOM 794 CB ALA A 56 11.938 -11.845 5.046 1.00 0.00 C ATOM 0 H ALA A 56 12.731 -9.842 3.419 1.00 0.00 H new ATOM 0 HA ALA A 56 12.993 -12.790 3.441 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.330 -12.720 5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.815 -11.833 5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.351 -10.942 5.213 1.00 0.00 H new ATOM 800 N ARG A 57 10.195 -11.125 2.877 1.00 0.00 N ATOM 801 CA ARG A 57 8.980 -11.129 2.071 1.00 0.00 C ATOM 802 C ARG A 57 8.111 -9.909 2.387 1.00 0.00 C ATOM 803 O ARG A 57 8.620 -8.866 2.805 1.00 0.00 O ATOM 804 CB ARG A 57 8.198 -12.424 2.318 1.00 0.00 C ATOM 805 CG ARG A 57 7.580 -13.016 1.061 1.00 0.00 C ATOM 806 CD ARG A 57 6.572 -14.105 1.397 1.00 0.00 C ATOM 807 NE ARG A 57 7.123 -15.444 1.201 1.00 0.00 N ATOM 808 CZ ARG A 57 7.106 -16.094 0.039 1.00 0.00 C ATOM 809 NH1 ARG A 57 6.587 -15.526 -1.043 1.00 0.00 N ATOM 810 NH2 ARG A 57 7.615 -17.316 -0.043 1.00 0.00 N ATOM 0 H ARG A 57 10.225 -10.398 3.592 1.00 0.00 H new ATOM 0 HA ARG A 57 9.260 -11.077 1.019 1.00 0.00 H new ATOM 0 HB2 ARG A 57 8.865 -13.161 2.765 1.00 0.00 H new ATOM 0 HB3 ARG A 57 7.408 -12.228 3.043 1.00 0.00 H new ATOM 0 HG2 ARG A 57 7.090 -12.228 0.489 1.00 0.00 H new ATOM 0 HG3 ARG A 57 8.365 -13.428 0.427 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.251 -13.994 2.433 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.686 -13.983 0.774 1.00 0.00 H new ATOM 0 HE ARG A 57 7.547 -15.909 2.004 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.197 -14.585 -0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.578 -16.031 -1.929 1.00 0.00 H new ATOM 0 HH21 ARG A 57 8.019 -17.757 0.783 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.603 -17.815 -0.933 1.00 0.00 H new ATOM 824 N THR A 58 6.801 -10.040 2.182 1.00 0.00 N ATOM 825 CA THR A 58 5.874 -8.946 2.445 1.00 0.00 C ATOM 826 C THR A 58 5.192 -9.122 3.800 1.00 0.00 C ATOM 827 O THR A 58 5.452 -10.086 4.520 1.00 0.00 O ATOM 828 CB THR A 58 4.822 -8.861 1.335 1.00 0.00 C ATOM 829 OG1 THR A 58 5.146 -9.731 0.265 1.00 0.00 O ATOM 830 CG2 THR A 58 4.670 -7.469 0.762 1.00 0.00 C ATOM 0 H THR A 58 6.361 -10.892 1.835 1.00 0.00 H new ATOM 0 HA THR A 58 6.444 -8.017 2.465 1.00 0.00 H new ATOM 0 HB THR A 58 3.883 -9.150 1.807 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.460 -9.662 -0.432 1.00 0.00 H new ATOM 0 HG21 THR A 58 3.910 -7.478 -0.019 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.370 -6.781 1.552 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.621 -7.144 0.339 1.00 0.00 H new ATOM 838 N TYR A 59 4.323 -8.177 4.139 1.00 0.00 N ATOM 839 CA TYR A 59 3.602 -8.208 5.403 1.00 0.00 C ATOM 840 C TYR A 59 2.142 -7.815 5.203 1.00 0.00 C ATOM 841 O TYR A 59 1.815 -6.631 5.149 1.00 0.00 O ATOM 842 CB TYR A 59 4.265 -7.254 6.398 1.00 0.00 C ATOM 843 CG TYR A 59 3.447 -7.005 7.647 1.00 0.00 C ATOM 844 CD1 TYR A 59 3.560 -7.833 8.756 1.00 0.00 C ATOM 845 CD2 TYR A 59 2.557 -5.940 7.711 1.00 0.00 C ATOM 846 CE1 TYR A 59 2.809 -7.606 9.895 1.00 0.00 C ATOM 847 CE2 TYR A 59 1.803 -5.706 8.845 1.00 0.00 C ATOM 848 CZ TYR A 59 1.933 -6.542 9.933 1.00 0.00 C ATOM 849 OH TYR A 59 1.183 -6.313 11.064 1.00 0.00 O ATOM 0 H TYR A 59 4.100 -7.375 3.550 1.00 0.00 H new ATOM 0 HA TYR A 59 3.634 -9.224 5.796 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.235 -7.661 6.686 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.453 -6.301 5.903 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.245 -8.667 8.729 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.453 -5.284 6.860 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.908 -8.259 10.750 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.116 -4.873 8.879 1.00 0.00 H new ATOM 0 HH TYR A 59 0.618 -5.524 10.927 1.00 0.00 H new ATOM 859 N TYR A 60 1.271 -8.812 5.097 1.00 0.00 N ATOM 860 CA TYR A 60 -0.149 -8.567 4.908 1.00 0.00 C ATOM 861 C TYR A 60 -0.814 -8.187 6.227 1.00 0.00 C ATOM 862 O TYR A 60 -0.324 -8.534 7.302 1.00 0.00 O ATOM 863 CB TYR A 60 -0.815 -9.811 4.326 1.00 0.00 C ATOM 864 CG TYR A 60 -0.323 -10.170 2.943 1.00 0.00 C ATOM 865 CD1 TYR A 60 -0.841 -9.543 1.817 1.00 0.00 C ATOM 866 CD2 TYR A 60 0.660 -11.135 2.763 1.00 0.00 C ATOM 867 CE1 TYR A 60 -0.394 -9.868 0.550 1.00 0.00 C ATOM 868 CE2 TYR A 60 1.113 -11.465 1.501 1.00 0.00 C ATOM 869 CZ TYR A 60 0.584 -10.829 0.398 1.00 0.00 C ATOM 870 OH TYR A 60 1.032 -11.155 -0.861 1.00 0.00 O ATOM 0 H TYR A 60 1.527 -9.799 5.139 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.268 -7.735 4.213 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -0.639 -10.653 4.995 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.893 -9.652 4.289 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.606 -8.789 1.933 1.00 0.00 H new ATOM 0 HD2 TYR A 60 1.077 -11.635 3.624 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -0.808 -9.373 -0.316 1.00 0.00 H new ATOM 0 HE2 TYR A 60 1.878 -12.218 1.379 1.00 0.00 H new ATOM 0 HH TYR A 60 1.722 -11.848 -0.794 1.00 0.00 H new ATOM 880 N ALA A 61 -1.930 -7.471 6.139 1.00 0.00 N ATOM 881 CA ALA A 61 -2.659 -7.044 7.328 1.00 0.00 C ATOM 882 C ALA A 61 -4.018 -7.731 7.419 1.00 0.00 C ATOM 883 O ALA A 61 -4.411 -8.478 6.521 1.00 0.00 O ATOM 884 CB ALA A 61 -2.830 -5.533 7.325 1.00 0.00 C ATOM 0 H ALA A 61 -2.349 -7.174 5.258 1.00 0.00 H new ATOM 0 HA ALA A 61 -2.077 -7.333 8.203 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.376 -5.227 8.218 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -1.850 -5.056 7.317 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -3.387 -5.232 6.438 1.00 0.00 H new ATOM 890 N SER A 62 -4.733 -7.474 8.509 1.00 0.00 N ATOM 891 CA SER A 62 -6.045 -8.069 8.716 1.00 0.00 C ATOM 892 C SER A 62 -7.058 -7.488 7.740 1.00 0.00 C ATOM 893 O SER A 62 -6.915 -6.353 7.283 1.00 0.00 O ATOM 894 CB SER A 62 -6.514 -7.847 10.155 1.00 0.00 C ATOM 895 OG SER A 62 -5.417 -7.584 11.014 1.00 0.00 O ATOM 0 H SER A 62 -4.425 -6.858 9.261 1.00 0.00 H new ATOM 0 HA SER A 62 -5.964 -9.141 8.536 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.214 -7.012 10.188 1.00 0.00 H new ATOM 0 HB3 SER A 62 -7.052 -8.728 10.506 1.00 0.00 H new ATOM 0 HG SER A 62 -5.743 -7.444 11.927 1.00 0.00 H new ATOM 901 N SER A 63 -8.071 -8.286 7.407 1.00 0.00 N ATOM 902 CA SER A 63 -9.111 -7.878 6.464 1.00 0.00 C ATOM 903 C SER A 63 -8.638 -8.076 5.024 1.00 0.00 C ATOM 904 O SER A 63 -9.420 -7.952 4.082 1.00 0.00 O ATOM 905 CB SER A 63 -9.518 -6.417 6.688 1.00 0.00 C ATOM 906 OG SER A 63 -9.561 -6.106 8.070 1.00 0.00 O ATOM 0 H SER A 63 -8.194 -9.227 7.780 1.00 0.00 H new ATOM 0 HA SER A 63 -9.984 -8.507 6.638 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.810 -5.758 6.186 1.00 0.00 H new ATOM 0 HB3 SER A 63 -10.495 -6.236 6.241 1.00 0.00 H new ATOM 0 HG SER A 63 -9.821 -5.168 8.186 1.00 0.00 H new ATOM 912 N VAL A 64 -7.352 -8.388 4.863 1.00 0.00 N ATOM 913 CA VAL A 64 -6.774 -8.608 3.544 1.00 0.00 C ATOM 914 C VAL A 64 -5.594 -9.579 3.608 1.00 0.00 C ATOM 915 O VAL A 64 -4.825 -9.693 2.653 1.00 0.00 O ATOM 916 CB VAL A 64 -6.301 -7.285 2.912 1.00 0.00 C ATOM 917 CG1 VAL A 64 -7.474 -6.337 2.711 1.00 0.00 C ATOM 918 CG2 VAL A 64 -5.221 -6.636 3.769 1.00 0.00 C ATOM 0 H VAL A 64 -6.692 -8.493 5.634 1.00 0.00 H new ATOM 0 HA VAL A 64 -7.560 -9.040 2.925 1.00 0.00 H new ATOM 0 HB VAL A 64 -5.872 -7.506 1.935 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -7.119 -5.409 2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -8.207 -6.800 2.051 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -7.937 -6.122 3.674 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -4.900 -5.703 3.305 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -5.620 -6.429 4.762 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -4.369 -7.311 3.853 1.00 0.00 H new ATOM 928 N ARG A 65 -5.452 -10.277 4.735 1.00 0.00 N ATOM 929 CA ARG A 65 -4.376 -11.225 4.914 1.00 0.00 C ATOM 930 C ARG A 65 -4.623 -12.468 4.081 1.00 0.00 C ATOM 931 O ARG A 65 -5.098 -13.492 4.572 1.00 0.00 O ATOM 932 CB ARG A 65 -4.236 -11.571 6.394 1.00 0.00 C ATOM 933 CG ARG A 65 -3.458 -12.845 6.662 1.00 0.00 C ATOM 934 CD ARG A 65 -2.823 -12.834 8.044 1.00 0.00 C ATOM 935 NE ARG A 65 -1.447 -13.324 8.019 1.00 0.00 N ATOM 936 CZ ARG A 65 -1.115 -14.593 7.792 1.00 0.00 C ATOM 937 NH1 ARG A 65 -2.057 -15.503 7.576 1.00 0.00 N ATOM 938 NH2 ARG A 65 0.161 -14.954 7.784 1.00 0.00 N ATOM 0 H ARG A 65 -6.078 -10.196 5.536 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.442 -10.778 4.574 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.744 -10.743 6.904 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.231 -11.667 6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.124 -13.704 6.574 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.682 -12.964 5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -2.839 -11.819 8.442 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -3.415 -13.451 8.720 1.00 0.00 H new ATOM 0 HE ARG A 65 -0.696 -12.654 8.185 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.040 -15.231 7.583 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.798 -16.474 7.402 1.00 0.00 H new ATOM 0 HH21 ARG A 65 0.889 -14.259 7.952 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.415 -15.926 7.610 1.00 0.00 H new ATOM 952 N GLY A 66 -4.306 -12.343 2.810 1.00 0.00 N ATOM 953 CA GLY A 66 -4.495 -13.428 1.872 1.00 0.00 C ATOM 954 C GLY A 66 -5.526 -13.086 0.816 1.00 0.00 C ATOM 955 O GLY A 66 -5.911 -13.936 0.014 1.00 0.00 O ATOM 0 H GLY A 66 -3.914 -11.495 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.545 -13.662 1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.809 -14.323 2.410 1.00 0.00 H new ATOM 959 N ARG A 67 -5.978 -11.833 0.821 1.00 0.00 N ATOM 960 CA ARG A 67 -6.975 -11.377 -0.141 1.00 0.00 C ATOM 961 C ARG A 67 -6.372 -10.388 -1.133 1.00 0.00 C ATOM 962 O ARG A 67 -6.604 -10.483 -2.338 1.00 0.00 O ATOM 963 CB ARG A 67 -8.156 -10.729 0.586 1.00 0.00 C ATOM 964 CG ARG A 67 -8.632 -11.516 1.797 1.00 0.00 C ATOM 965 CD ARG A 67 -10.097 -11.247 2.097 1.00 0.00 C ATOM 966 NE ARG A 67 -10.390 -9.816 2.169 1.00 0.00 N ATOM 967 CZ ARG A 67 -11.478 -9.311 2.747 1.00 0.00 C ATOM 968 NH1 ARG A 67 -12.378 -10.114 3.300 1.00 0.00 N ATOM 969 NH2 ARG A 67 -11.667 -7.999 2.771 1.00 0.00 N ATOM 0 H ARG A 67 -5.669 -11.118 1.480 1.00 0.00 H new ATOM 0 HA ARG A 67 -7.327 -12.247 -0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.870 -9.726 0.904 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.985 -10.617 -0.113 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -8.486 -12.582 1.620 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -8.028 -11.251 2.665 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.715 -11.705 1.324 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.366 -11.720 3.042 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.722 -9.167 1.752 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.238 -11.124 3.284 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.209 -9.721 3.741 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.979 -7.377 2.347 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -12.500 -7.612 3.214 1.00 0.00 H new ATOM 983 N PHE A 68 -5.600 -9.435 -0.621 1.00 0.00 N ATOM 984 CA PHE A 68 -4.969 -8.426 -1.464 1.00 0.00 C ATOM 985 C PHE A 68 -3.562 -8.856 -1.873 1.00 0.00 C ATOM 986 O PHE A 68 -2.882 -9.569 -1.136 1.00 0.00 O ATOM 987 CB PHE A 68 -4.913 -7.082 -0.731 1.00 0.00 C ATOM 988 CG PHE A 68 -6.252 -6.405 -0.573 1.00 0.00 C ATOM 989 CD1 PHE A 68 -7.435 -7.071 -0.868 1.00 0.00 C ATOM 990 CD2 PHE A 68 -6.324 -5.095 -0.124 1.00 0.00 C ATOM 991 CE1 PHE A 68 -8.658 -6.443 -0.718 1.00 0.00 C ATOM 992 CE2 PHE A 68 -7.544 -4.463 0.027 1.00 0.00 C ATOM 993 CZ PHE A 68 -8.713 -5.137 -0.271 1.00 0.00 C ATOM 0 H PHE A 68 -5.396 -9.340 0.374 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.570 -8.316 -2.367 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.479 -7.238 0.257 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.243 -6.414 -1.272 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -7.399 -8.092 -1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.415 -4.561 0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.570 -6.973 -0.950 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.584 -3.442 0.378 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.667 -4.644 -0.155 1.00 0.00 H new ATOM 1003 N THR A 69 -3.133 -8.417 -3.053 1.00 0.00 N ATOM 1004 CA THR A 69 -1.806 -8.755 -3.561 1.00 0.00 C ATOM 1005 C THR A 69 -0.880 -7.550 -3.503 1.00 0.00 C ATOM 1006 O THR A 69 -1.332 -6.405 -3.496 1.00 0.00 O ATOM 1007 CB THR A 69 -1.900 -9.277 -4.995 1.00 0.00 C ATOM 1008 OG1 THR A 69 -2.915 -10.260 -5.106 1.00 0.00 O ATOM 1009 CG2 THR A 69 -0.610 -9.891 -5.494 1.00 0.00 C ATOM 0 H THR A 69 -3.685 -7.827 -3.676 1.00 0.00 H new ATOM 0 HA THR A 69 -1.391 -9.539 -2.927 1.00 0.00 H new ATOM 0 HB THR A 69 -2.128 -8.403 -5.606 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.961 -10.580 -6.031 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.746 -10.241 -6.517 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.183 -9.143 -5.468 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.337 -10.732 -4.856 1.00 0.00 H new ATOM 1017 N ILE A 70 0.419 -7.822 -3.445 1.00 0.00 N ATOM 1018 CA ILE A 70 1.422 -6.771 -3.364 1.00 0.00 C ATOM 1019 C ILE A 70 2.781 -7.271 -3.840 1.00 0.00 C ATOM 1020 O ILE A 70 3.206 -8.375 -3.497 1.00 0.00 O ATOM 1021 CB ILE A 70 1.521 -6.250 -1.921 1.00 0.00 C ATOM 1022 CG1 ILE A 70 2.413 -5.008 -1.836 1.00 0.00 C ATOM 1023 CG2 ILE A 70 2.008 -7.353 -0.994 1.00 0.00 C ATOM 1024 CD1 ILE A 70 3.875 -5.282 -2.095 1.00 0.00 C ATOM 0 H ILE A 70 0.802 -8.767 -3.453 1.00 0.00 H new ATOM 0 HA ILE A 70 1.116 -5.955 -4.019 1.00 0.00 H new ATOM 0 HB ILE A 70 0.525 -5.949 -1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.059 -4.270 -2.556 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.307 -4.564 -0.846 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.073 -6.970 0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.308 -8.188 -1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 70 2.992 -7.692 -1.318 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.439 -4.353 -2.016 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.247 -5.996 -1.360 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.996 -5.696 -3.096 1.00 0.00 H new ATOM 1036 N SER A 71 3.458 -6.448 -4.633 1.00 0.00 N ATOM 1037 CA SER A 71 4.772 -6.799 -5.159 1.00 0.00 C ATOM 1038 C SER A 71 5.580 -5.546 -5.486 1.00 0.00 C ATOM 1039 O SER A 71 5.055 -4.433 -5.460 1.00 0.00 O ATOM 1040 CB SER A 71 4.628 -7.669 -6.410 1.00 0.00 C ATOM 1041 OG SER A 71 3.498 -7.282 -7.173 1.00 0.00 O ATOM 0 H SER A 71 3.118 -5.532 -4.926 1.00 0.00 H new ATOM 0 HA SER A 71 5.304 -7.362 -4.393 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.528 -7.587 -7.020 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.534 -8.716 -6.120 1.00 0.00 H new ATOM 0 HG SER A 71 3.429 -7.852 -7.967 1.00 0.00 H new ATOM 1047 N ARG A 72 6.860 -5.734 -5.791 1.00 0.00 N ATOM 1048 CA ARG A 72 7.740 -4.618 -6.122 1.00 0.00 C ATOM 1049 C ARG A 72 8.184 -4.688 -7.580 1.00 0.00 C ATOM 1050 O ARG A 72 8.367 -5.772 -8.132 1.00 0.00 O ATOM 1051 CB ARG A 72 8.965 -4.617 -5.206 1.00 0.00 C ATOM 1052 CG ARG A 72 8.628 -4.416 -3.738 1.00 0.00 C ATOM 1053 CD ARG A 72 9.871 -4.109 -2.916 1.00 0.00 C ATOM 1054 NE ARG A 72 10.372 -2.759 -3.166 1.00 0.00 N ATOM 1055 CZ ARG A 72 11.286 -2.460 -4.088 1.00 0.00 C ATOM 1056 NH1 ARG A 72 11.806 -3.411 -4.856 1.00 0.00 N ATOM 1057 NH2 ARG A 72 11.679 -1.204 -4.245 1.00 0.00 N ATOM 0 H ARG A 72 7.311 -6.648 -5.816 1.00 0.00 H new ATOM 0 HA ARG A 72 7.182 -3.693 -5.974 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.496 -5.562 -5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.646 -3.828 -5.525 1.00 0.00 H new ATOM 0 HG2 ARG A 72 7.913 -3.600 -3.637 1.00 0.00 H new ATOM 0 HG3 ARG A 72 8.146 -5.312 -3.349 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.642 -4.220 -1.856 1.00 0.00 H new ATOM 0 HD3 ARG A 72 10.650 -4.834 -3.151 1.00 0.00 H new ATOM 0 HE ARG A 72 9.998 -1.998 -2.599 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.506 -4.379 -4.742 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.505 -3.173 -5.559 1.00 0.00 H new ATOM 0 HH21 ARG A 72 11.282 -0.468 -3.660 1.00 0.00 H new ATOM 0 HH22 ARG A 72 12.379 -0.973 -4.950 1.00 0.00 H new ATOM 1071 N ASP A 73 8.358 -3.524 -8.198 1.00 0.00 N ATOM 1072 CA ASP A 73 8.782 -3.456 -9.593 1.00 0.00 C ATOM 1073 C ASP A 73 10.306 -3.416 -9.710 1.00 0.00 C ATOM 1074 O ASP A 73 10.854 -3.560 -10.803 1.00 0.00 O ATOM 1075 CB ASP A 73 8.173 -2.229 -10.273 1.00 0.00 C ATOM 1076 CG ASP A 73 8.566 -2.117 -11.734 1.00 0.00 C ATOM 1077 OD1 ASP A 73 8.693 -3.167 -12.397 1.00 0.00 O ATOM 1078 OD2 ASP A 73 8.744 -0.978 -12.215 1.00 0.00 O ATOM 0 H ASP A 73 8.212 -2.616 -7.756 1.00 0.00 H new ATOM 0 HA ASP A 73 8.427 -4.357 -10.094 1.00 0.00 H new ATOM 0 HB2 ASP A 73 7.087 -2.277 -10.195 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.491 -1.330 -9.745 1.00 0.00 H new ATOM 1083 N ASN A 74 10.986 -3.219 -8.578 1.00 0.00 N ATOM 1084 CA ASN A 74 12.448 -3.159 -8.549 1.00 0.00 C ATOM 1085 C ASN A 74 12.998 -2.320 -9.700 1.00 0.00 C ATOM 1086 O ASN A 74 14.097 -2.573 -10.195 1.00 0.00 O ATOM 1087 CB ASN A 74 13.043 -4.570 -8.597 1.00 0.00 C ATOM 1088 CG ASN A 74 12.606 -5.347 -9.823 1.00 0.00 C ATOM 1089 OD1 ASN A 74 13.205 -5.230 -10.892 1.00 0.00 O ATOM 1090 ND2 ASN A 74 11.556 -6.146 -9.674 1.00 0.00 N ATOM 0 H ASN A 74 10.545 -3.098 -7.666 1.00 0.00 H new ATOM 0 HA ASN A 74 12.739 -2.680 -7.614 1.00 0.00 H new ATOM 0 HB2 ASN A 74 14.131 -4.502 -8.584 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.747 -5.116 -7.701 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.216 -6.694 -10.464 1.00 0.00 H new ATOM 0 HD22 ASN A 74 11.090 -6.212 -8.769 1.00 0.00 H new ATOM 1097 N ALA A 75 12.230 -1.319 -10.117 1.00 0.00 N ATOM 1098 CA ALA A 75 12.641 -0.441 -11.204 1.00 0.00 C ATOM 1099 C ALA A 75 12.996 0.945 -10.679 1.00 0.00 C ATOM 1100 O ALA A 75 14.146 1.378 -10.764 1.00 0.00 O ATOM 1101 CB ALA A 75 11.542 -0.345 -12.252 1.00 0.00 C ATOM 0 H ALA A 75 11.318 -1.096 -9.717 1.00 0.00 H new ATOM 0 HA ALA A 75 13.531 -0.867 -11.668 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.864 0.315 -13.058 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.336 -1.337 -12.655 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.637 0.056 -11.795 1.00 0.00 H new ATOM 1107 N LYS A 76 12.001 1.635 -10.133 1.00 0.00 N ATOM 1108 CA LYS A 76 12.203 2.972 -9.587 1.00 0.00 C ATOM 1109 C LYS A 76 11.618 3.072 -8.183 1.00 0.00 C ATOM 1110 O LYS A 76 11.031 4.088 -7.813 1.00 0.00 O ATOM 1111 CB LYS A 76 11.563 4.021 -10.497 1.00 0.00 C ATOM 1112 CG LYS A 76 11.909 5.452 -10.115 1.00 0.00 C ATOM 1113 CD LYS A 76 13.018 6.014 -10.993 1.00 0.00 C ATOM 1114 CE LYS A 76 14.328 6.132 -10.230 1.00 0.00 C ATOM 1115 NZ LYS A 76 15.255 5.009 -10.542 1.00 0.00 N ATOM 0 H LYS A 76 11.044 1.290 -10.057 1.00 0.00 H new ATOM 0 HA LYS A 76 13.275 3.160 -9.532 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.881 3.841 -11.524 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.480 3.899 -10.472 1.00 0.00 H new ATOM 0 HG2 LYS A 76 11.021 6.078 -10.204 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.219 5.486 -9.071 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.158 5.370 -11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.725 6.995 -11.368 1.00 0.00 H new ATOM 0 HE2 LYS A 76 14.808 7.079 -10.477 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.124 6.148 -9.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.844 4.804 -9.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.704 4.164 -10.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 15.865 5.274 -11.341 1.00 0.00 H new ATOM 1129 N LYS A 77 11.781 2.006 -7.405 1.00 0.00 N ATOM 1130 CA LYS A 77 11.268 1.968 -6.040 1.00 0.00 C ATOM 1131 C LYS A 77 9.746 2.080 -6.029 1.00 0.00 C ATOM 1132 O LYS A 77 9.180 2.922 -5.332 1.00 0.00 O ATOM 1133 CB LYS A 77 11.882 3.097 -5.209 1.00 0.00 C ATOM 1134 CG LYS A 77 13.403 3.072 -5.175 1.00 0.00 C ATOM 1135 CD LYS A 77 13.997 4.352 -5.743 1.00 0.00 C ATOM 1136 CE LYS A 77 15.230 4.067 -6.586 1.00 0.00 C ATOM 1137 NZ LYS A 77 16.469 4.018 -5.762 1.00 0.00 N ATOM 0 H LYS A 77 12.265 1.157 -7.697 1.00 0.00 H new ATOM 0 HA LYS A 77 11.547 1.011 -5.599 1.00 0.00 H new ATOM 0 HB2 LYS A 77 11.552 4.054 -5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.503 3.033 -4.189 1.00 0.00 H new ATOM 0 HG2 LYS A 77 13.742 2.937 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 77 13.766 2.217 -5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 77 13.250 4.863 -6.350 1.00 0.00 H new ATOM 0 HD3 LYS A 77 14.260 5.026 -4.927 1.00 0.00 H new ATOM 0 HE2 LYS A 77 15.102 3.117 -7.106 1.00 0.00 H new ATOM 0 HE3 LYS A 77 15.333 4.837 -7.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 17.286 3.821 -6.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 16.606 4.932 -5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 16.382 3.266 -5.049 1.00 0.00 H new ATOM 1151 N THR A 78 9.086 1.226 -6.807 1.00 0.00 N ATOM 1152 CA THR A 78 7.629 1.235 -6.883 1.00 0.00 C ATOM 1153 C THR A 78 7.038 -0.065 -6.354 1.00 0.00 C ATOM 1154 O THR A 78 7.592 -1.146 -6.559 1.00 0.00 O ATOM 1155 CB THR A 78 7.163 1.450 -8.324 1.00 0.00 C ATOM 1156 OG1 THR A 78 7.692 2.653 -8.853 1.00 0.00 O ATOM 1157 CG2 THR A 78 5.653 1.505 -8.463 1.00 0.00 C ATOM 0 H THR A 78 9.536 0.521 -7.392 1.00 0.00 H new ATOM 0 HA THR A 78 7.279 2.059 -6.261 1.00 0.00 H new ATOM 0 HB THR A 78 7.531 0.586 -8.877 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.382 2.769 -9.776 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.389 1.659 -9.509 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.221 0.567 -8.115 1.00 0.00 H new ATOM 0 HG23 THR A 78 5.262 2.328 -7.865 1.00 0.00 H new ATOM 1165 N VAL A 79 5.894 0.054 -5.694 1.00 0.00 N ATOM 1166 CA VAL A 79 5.196 -1.099 -5.151 1.00 0.00 C ATOM 1167 C VAL A 79 3.789 -1.177 -5.729 1.00 0.00 C ATOM 1168 O VAL A 79 3.068 -0.174 -5.770 1.00 0.00 O ATOM 1169 CB VAL A 79 5.120 -1.051 -3.614 1.00 0.00 C ATOM 1170 CG1 VAL A 79 6.516 -1.020 -3.012 1.00 0.00 C ATOM 1171 CG2 VAL A 79 4.304 0.145 -3.149 1.00 0.00 C ATOM 0 H VAL A 79 5.428 0.945 -5.522 1.00 0.00 H new ATOM 0 HA VAL A 79 5.762 -1.987 -5.432 1.00 0.00 H new ATOM 0 HB VAL A 79 4.618 -1.955 -3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.443 -0.986 -1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.061 -1.915 -3.311 1.00 0.00 H new ATOM 0 HG13 VAL A 79 7.046 -0.136 -3.368 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.265 0.157 -2.060 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.769 1.064 -3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.292 0.072 -3.548 1.00 0.00 H new ATOM 1181 N TYR A 80 3.408 -2.364 -6.186 1.00 0.00 N ATOM 1182 CA TYR A 80 2.092 -2.569 -6.775 1.00 0.00 C ATOM 1183 C TYR A 80 1.262 -3.526 -5.930 1.00 0.00 C ATOM 1184 O TYR A 80 1.638 -4.682 -5.737 1.00 0.00 O ATOM 1185 CB TYR A 80 2.229 -3.123 -8.194 1.00 0.00 C ATOM 1186 CG TYR A 80 2.970 -2.219 -9.144 1.00 0.00 C ATOM 1187 CD1 TYR A 80 4.293 -1.871 -8.917 1.00 0.00 C ATOM 1188 CD2 TYR A 80 2.344 -1.727 -10.280 1.00 0.00 C ATOM 1189 CE1 TYR A 80 4.972 -1.056 -9.796 1.00 0.00 C ATOM 1190 CE2 TYR A 80 3.015 -0.910 -11.163 1.00 0.00 C ATOM 1191 CZ TYR A 80 4.328 -0.579 -10.916 1.00 0.00 C ATOM 1192 OH TYR A 80 5.003 0.234 -11.799 1.00 0.00 O ATOM 0 H TYR A 80 3.993 -3.199 -6.160 1.00 0.00 H new ATOM 0 HA TYR A 80 1.584 -1.605 -6.811 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.744 -4.083 -8.149 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.233 -3.314 -8.595 1.00 0.00 H new ATOM 0 HD1 TYR A 80 4.798 -2.244 -8.039 1.00 0.00 H new ATOM 0 HD2 TYR A 80 1.314 -1.989 -10.475 1.00 0.00 H new ATOM 0 HE1 TYR A 80 6.002 -0.793 -9.608 1.00 0.00 H new ATOM 0 HE2 TYR A 80 2.515 -0.532 -12.042 1.00 0.00 H new ATOM 0 HH TYR A 80 4.407 0.483 -12.536 1.00 0.00 H new ATOM 1202 N LEU A 81 0.127 -3.044 -5.434 1.00 0.00 N ATOM 1203 CA LEU A 81 -0.753 -3.867 -4.619 1.00 0.00 C ATOM 1204 C LEU A 81 -2.087 -4.084 -5.326 1.00 0.00 C ATOM 1205 O LEU A 81 -2.841 -3.139 -5.565 1.00 0.00 O ATOM 1206 CB LEU A 81 -0.943 -3.238 -3.226 1.00 0.00 C ATOM 1207 CG LEU A 81 -2.313 -2.613 -2.934 1.00 0.00 C ATOM 1208 CD1 LEU A 81 -2.515 -2.456 -1.435 1.00 0.00 C ATOM 1209 CD2 LEU A 81 -2.444 -1.270 -3.631 1.00 0.00 C ATOM 0 H LEU A 81 -0.202 -2.090 -5.583 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.291 -4.844 -4.479 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.753 -4.006 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.183 -2.468 -3.093 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.086 -3.278 -3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.492 -2.011 -1.244 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.462 -3.434 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -1.737 -1.810 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.422 -0.841 -3.413 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.665 -0.597 -3.274 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -2.340 -1.407 -4.707 1.00 0.00 H new ATOM 1221 N GLN A 82 -2.360 -5.337 -5.667 1.00 0.00 N ATOM 1222 CA GLN A 82 -3.587 -5.696 -6.354 1.00 0.00 C ATOM 1223 C GLN A 82 -4.642 -6.173 -5.363 1.00 0.00 C ATOM 1224 O GLN A 82 -4.699 -7.354 -5.020 1.00 0.00 O ATOM 1225 CB GLN A 82 -3.297 -6.786 -7.377 1.00 0.00 C ATOM 1226 CG GLN A 82 -4.126 -6.672 -8.645 1.00 0.00 C ATOM 1227 CD GLN A 82 -4.803 -7.974 -9.024 1.00 0.00 C ATOM 1228 OE1 GLN A 82 -5.965 -7.988 -9.428 1.00 0.00 O ATOM 1229 NE2 GLN A 82 -4.077 -9.078 -8.896 1.00 0.00 N ATOM 0 H GLN A 82 -1.741 -6.125 -5.476 1.00 0.00 H new ATOM 0 HA GLN A 82 -3.975 -4.814 -6.864 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.240 -6.752 -7.641 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.480 -7.758 -6.920 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.883 -5.900 -8.510 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.485 -6.349 -9.465 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -3.117 -9.020 -8.557 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -4.479 -9.984 -9.137 1.00 0.00 H new ATOM 1238 N MET A 83 -5.472 -5.245 -4.904 1.00 0.00 N ATOM 1239 CA MET A 83 -6.522 -5.565 -3.947 1.00 0.00 C ATOM 1240 C MET A 83 -7.653 -6.340 -4.615 1.00 0.00 C ATOM 1241 O MET A 83 -8.587 -5.748 -5.157 1.00 0.00 O ATOM 1242 CB MET A 83 -7.066 -4.283 -3.314 1.00 0.00 C ATOM 1243 CG MET A 83 -5.982 -3.309 -2.891 1.00 0.00 C ATOM 1244 SD MET A 83 -6.283 -1.629 -3.472 1.00 0.00 S ATOM 1245 CE MET A 83 -8.023 -1.444 -3.086 1.00 0.00 C ATOM 0 H MET A 83 -5.438 -4.264 -5.180 1.00 0.00 H new ATOM 0 HA MET A 83 -6.092 -6.194 -3.168 1.00 0.00 H new ATOM 0 HB2 MET A 83 -7.729 -3.790 -4.024 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.668 -4.544 -2.444 1.00 0.00 H new ATOM 0 HG2 MET A 83 -5.909 -3.304 -1.803 1.00 0.00 H new ATOM 0 HG3 MET A 83 -5.021 -3.654 -3.274 1.00 0.00 H new ATOM 0 HE1 MET A 83 -8.265 -0.385 -2.994 1.00 0.00 H new ATOM 0 HE2 MET A 83 -8.621 -1.885 -3.883 1.00 0.00 H new ATOM 0 HE3 MET A 83 -8.243 -1.949 -2.145 1.00 0.00 H new ATOM 1255 N ASN A 84 -7.560 -7.666 -4.574 1.00 0.00 N ATOM 1256 CA ASN A 84 -8.571 -8.524 -5.173 1.00 0.00 C ATOM 1257 C ASN A 84 -9.706 -8.791 -4.193 1.00 0.00 C ATOM 1258 O ASN A 84 -9.652 -8.373 -3.036 1.00 0.00 O ATOM 1259 CB ASN A 84 -7.959 -9.854 -5.628 1.00 0.00 C ATOM 1260 CG ASN A 84 -6.440 -9.854 -5.626 1.00 0.00 C ATOM 1261 OD1 ASN A 84 -5.847 -9.334 -6.693 1.00 0.00 O flip ATOM 1262 ND2 ASN A 84 -5.809 -10.316 -4.676 1.00 0.00 N flip ATOM 0 H ASN A 84 -6.791 -8.169 -4.130 1.00 0.00 H new ATOM 0 HA ASN A 84 -8.971 -8.004 -6.043 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -8.315 -10.651 -4.975 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -8.313 -10.083 -6.633 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.306 -10.706 -3.875 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.789 -10.309 -4.689 1.00 0.00 H new ATOM 1269 N SER A 85 -10.729 -9.501 -4.669 1.00 0.00 N ATOM 1270 CA SER A 85 -11.893 -9.848 -3.851 1.00 0.00 C ATOM 1271 C SER A 85 -12.256 -8.726 -2.879 1.00 0.00 C ATOM 1272 O SER A 85 -12.482 -8.968 -1.693 1.00 0.00 O ATOM 1273 CB SER A 85 -11.623 -11.140 -3.082 1.00 0.00 C ATOM 1274 OG SER A 85 -12.808 -11.902 -2.931 1.00 0.00 O ATOM 0 H SER A 85 -10.775 -9.850 -5.626 1.00 0.00 H new ATOM 0 HA SER A 85 -12.740 -9.993 -4.521 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.873 -11.730 -3.608 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.212 -10.903 -2.101 1.00 0.00 H new ATOM 0 HG SER A 85 -12.607 -12.724 -2.437 1.00 0.00 H new ATOM 1280 N LEU A 86 -12.308 -7.500 -3.388 1.00 0.00 N ATOM 1281 CA LEU A 86 -12.641 -6.347 -2.563 1.00 0.00 C ATOM 1282 C LEU A 86 -14.071 -6.444 -2.048 1.00 0.00 C ATOM 1283 O LEU A 86 -14.902 -7.152 -2.617 1.00 0.00 O ATOM 1284 CB LEU A 86 -12.452 -5.051 -3.357 1.00 0.00 C ATOM 1285 CG LEU A 86 -11.481 -4.049 -2.732 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -10.056 -4.342 -3.173 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -11.871 -2.626 -3.102 1.00 0.00 C ATOM 0 H LEU A 86 -12.124 -7.280 -4.367 1.00 0.00 H new ATOM 0 HA LEU A 86 -11.968 -6.336 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -12.098 -5.303 -4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -13.423 -4.569 -3.475 1.00 0.00 H new ATOM 0 HG LEU A 86 -11.534 -4.150 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -9.379 -3.619 -2.719 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.777 -5.348 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -9.989 -4.270 -4.259 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -11.169 -1.927 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -11.847 -2.512 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -12.877 -2.418 -2.737 1.00 0.00 H new ATOM 1299 N LYS A 87 -14.350 -5.727 -0.967 1.00 0.00 N ATOM 1300 CA LYS A 87 -15.680 -5.728 -0.372 1.00 0.00 C ATOM 1301 C LYS A 87 -16.346 -4.366 -0.539 1.00 0.00 C ATOM 1302 O LYS A 87 -15.690 -3.384 -0.886 1.00 0.00 O ATOM 1303 CB LYS A 87 -15.596 -6.095 1.112 1.00 0.00 C ATOM 1304 CG LYS A 87 -15.856 -7.567 1.391 1.00 0.00 C ATOM 1305 CD LYS A 87 -14.571 -8.378 1.343 1.00 0.00 C ATOM 1306 CE LYS A 87 -14.808 -9.765 0.769 1.00 0.00 C ATOM 1307 NZ LYS A 87 -15.517 -10.653 1.732 1.00 0.00 N ATOM 0 H LYS A 87 -13.672 -5.137 -0.484 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.286 -6.474 -0.887 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.607 -5.832 1.487 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -16.317 -5.496 1.667 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.320 -7.676 2.371 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.562 -7.958 0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -13.831 -7.854 0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -14.157 -8.465 2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.393 -9.683 -0.147 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -13.852 -10.214 0.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.659 -11.589 1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -14.948 -10.752 2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.440 -10.239 1.971 1.00 0.00 H new ATOM 1321 N PRO A 88 -17.665 -4.287 -0.295 1.00 0.00 N ATOM 1322 CA PRO A 88 -18.418 -3.038 -0.424 1.00 0.00 C ATOM 1323 C PRO A 88 -18.236 -2.106 0.773 1.00 0.00 C ATOM 1324 O PRO A 88 -18.966 -1.126 0.920 1.00 0.00 O ATOM 1325 CB PRO A 88 -19.863 -3.521 -0.507 1.00 0.00 C ATOM 1326 CG PRO A 88 -19.882 -4.774 0.299 1.00 0.00 C ATOM 1327 CD PRO A 88 -18.529 -5.411 0.120 1.00 0.00 C ATOM 0 HA PRO A 88 -18.089 -2.451 -1.281 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -20.553 -2.780 -0.105 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -20.161 -3.708 -1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -20.074 -4.558 1.350 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -20.674 -5.442 -0.039 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -18.176 -5.867 1.045 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -18.553 -6.197 -0.635 1.00 0.00 H new ATOM 1335 N GLU A 89 -17.263 -2.413 1.627 1.00 0.00 N ATOM 1336 CA GLU A 89 -17.000 -1.595 2.805 1.00 0.00 C ATOM 1337 C GLU A 89 -15.513 -1.271 2.941 1.00 0.00 C ATOM 1338 O GLU A 89 -15.076 -0.768 3.976 1.00 0.00 O ATOM 1339 CB GLU A 89 -17.494 -2.310 4.064 1.00 0.00 C ATOM 1340 CG GLU A 89 -19.000 -2.517 4.094 1.00 0.00 C ATOM 1341 CD GLU A 89 -19.388 -3.927 4.494 1.00 0.00 C ATOM 1342 OE1 GLU A 89 -19.246 -4.266 5.688 1.00 0.00 O ATOM 1343 OE2 GLU A 89 -19.834 -4.692 3.613 1.00 0.00 O ATOM 0 H GLU A 89 -16.646 -3.219 1.525 1.00 0.00 H new ATOM 0 HA GLU A 89 -17.540 -0.656 2.685 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -17.001 -3.279 4.139 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -17.197 -1.733 4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -19.446 -1.809 4.793 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -19.413 -2.296 3.110 1.00 0.00 H new ATOM 1350 N ASP A 90 -14.735 -1.553 1.896 1.00 0.00 N ATOM 1351 CA ASP A 90 -13.306 -1.278 1.919 1.00 0.00 C ATOM 1352 C ASP A 90 -13.011 0.151 1.465 1.00 0.00 C ATOM 1353 O ASP A 90 -11.866 0.599 1.509 1.00 0.00 O ATOM 1354 CB ASP A 90 -12.560 -2.273 1.029 1.00 0.00 C ATOM 1355 CG ASP A 90 -12.362 -3.616 1.703 1.00 0.00 C ATOM 1356 OD1 ASP A 90 -12.347 -3.659 2.951 1.00 0.00 O ATOM 1357 OD2 ASP A 90 -12.220 -4.627 0.982 1.00 0.00 O ATOM 0 H ASP A 90 -15.072 -1.970 1.028 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.960 -1.388 2.947 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.115 -2.413 0.101 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -11.589 -1.858 0.760 1.00 0.00 H new ATOM 1362 N THR A 91 -14.049 0.865 1.029 1.00 0.00 N ATOM 1363 CA THR A 91 -13.899 2.236 0.572 1.00 0.00 C ATOM 1364 C THR A 91 -13.242 3.102 1.644 1.00 0.00 C ATOM 1365 O THR A 91 -13.784 3.269 2.737 1.00 0.00 O ATOM 1366 CB THR A 91 -15.271 2.792 0.211 1.00 0.00 C ATOM 1367 OG1 THR A 91 -15.869 2.008 -0.804 1.00 0.00 O ATOM 1368 CG2 THR A 91 -15.239 4.228 -0.267 1.00 0.00 C ATOM 0 H THR A 91 -15.004 0.510 0.985 1.00 0.00 H new ATOM 0 HA THR A 91 -13.253 2.249 -0.306 1.00 0.00 H new ATOM 0 HB THR A 91 -15.850 2.758 1.134 1.00 0.00 H new ATOM 0 HG1 THR A 91 -16.806 2.274 -0.913 1.00 0.00 H new ATOM 0 HG21 THR A 91 -16.251 4.555 -0.505 1.00 0.00 H new ATOM 0 HG22 THR A 91 -14.828 4.863 0.517 1.00 0.00 H new ATOM 0 HG23 THR A 91 -14.615 4.301 -1.158 1.00 0.00 H new ATOM 1376 N ALA A 92 -12.071 3.647 1.329 1.00 0.00 N ATOM 1377 CA ALA A 92 -11.348 4.491 2.277 1.00 0.00 C ATOM 1378 C ALA A 92 -10.159 5.183 1.616 1.00 0.00 C ATOM 1379 O ALA A 92 -9.983 5.110 0.401 1.00 0.00 O ATOM 1380 CB ALA A 92 -10.887 3.663 3.468 1.00 0.00 C ATOM 0 H ALA A 92 -11.604 3.521 0.431 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.030 5.267 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.349 4.302 4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.754 3.227 3.966 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.228 2.866 3.124 1.00 0.00 H new ATOM 1386 N VAL A 93 -9.342 5.848 2.430 1.00 0.00 N ATOM 1387 CA VAL A 93 -8.165 6.547 1.934 1.00 0.00 C ATOM 1388 C VAL A 93 -6.937 5.643 2.005 1.00 0.00 C ATOM 1389 O VAL A 93 -6.409 5.386 3.085 1.00 0.00 O ATOM 1390 CB VAL A 93 -7.907 7.830 2.747 1.00 0.00 C ATOM 1391 CG1 VAL A 93 -6.618 8.511 2.306 1.00 0.00 C ATOM 1392 CG2 VAL A 93 -9.088 8.782 2.625 1.00 0.00 C ATOM 0 H VAL A 93 -9.477 5.916 3.439 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.351 6.819 0.895 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.794 7.550 3.794 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.462 9.413 2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.779 7.831 2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -6.689 8.776 1.251 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.890 9.683 3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -9.234 9.049 1.578 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.987 8.297 3.004 1.00 0.00 H new ATOM 1402 N TYR A 94 -6.494 5.158 0.849 1.00 0.00 N ATOM 1403 CA TYR A 94 -5.345 4.279 0.777 1.00 0.00 C ATOM 1404 C TYR A 94 -4.055 5.081 0.639 1.00 0.00 C ATOM 1405 O TYR A 94 -3.740 5.585 -0.439 1.00 0.00 O ATOM 1406 CB TYR A 94 -5.511 3.341 -0.413 1.00 0.00 C ATOM 1407 CG TYR A 94 -6.281 2.077 -0.096 1.00 0.00 C ATOM 1408 CD1 TYR A 94 -7.503 2.135 0.564 1.00 0.00 C ATOM 1409 CD2 TYR A 94 -5.793 0.829 -0.463 1.00 0.00 C ATOM 1410 CE1 TYR A 94 -8.216 0.986 0.850 1.00 0.00 C ATOM 1411 CE2 TYR A 94 -6.500 -0.325 -0.181 1.00 0.00 C ATOM 1412 CZ TYR A 94 -7.711 -0.242 0.475 1.00 0.00 C ATOM 1413 OH TYR A 94 -8.419 -1.389 0.756 1.00 0.00 O ATOM 0 H TYR A 94 -6.921 5.364 -0.054 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.282 3.699 1.698 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -6.022 3.874 -1.215 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.525 3.069 -0.789 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.902 3.094 0.858 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.846 0.759 -0.977 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.164 1.049 1.364 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -6.106 -1.287 -0.473 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.378 -1.188 0.762 1.00 0.00 H new ATOM 1423 N THR A 95 -3.312 5.201 1.734 1.00 0.00 N ATOM 1424 CA THR A 95 -2.061 5.948 1.723 1.00 0.00 C ATOM 1425 C THR A 95 -0.858 5.011 1.758 1.00 0.00 C ATOM 1426 O THR A 95 -0.879 3.987 2.436 1.00 0.00 O ATOM 1427 CB THR A 95 -2.016 6.913 2.910 1.00 0.00 C ATOM 1428 OG1 THR A 95 -1.000 7.888 2.732 1.00 0.00 O ATOM 1429 CG2 THR A 95 -1.767 6.229 4.238 1.00 0.00 C ATOM 0 H THR A 95 -3.554 4.792 2.637 1.00 0.00 H new ATOM 0 HA THR A 95 -2.014 6.519 0.796 1.00 0.00 H new ATOM 0 HB THR A 95 -3.004 7.372 2.938 1.00 0.00 H new ATOM 0 HG1 THR A 95 -0.991 8.495 3.501 1.00 0.00 H new ATOM 0 HG21 THR A 95 -1.748 6.974 5.033 1.00 0.00 H new ATOM 0 HG22 THR A 95 -2.564 5.511 4.433 1.00 0.00 H new ATOM 0 HG23 THR A 95 -0.810 5.709 4.205 1.00 0.00 H new ATOM 1437 N CYS A 96 0.191 5.370 1.027 1.00 0.00 N ATOM 1438 CA CYS A 96 1.399 4.557 0.983 1.00 0.00 C ATOM 1439 C CYS A 96 2.422 5.048 2.002 1.00 0.00 C ATOM 1440 O CYS A 96 2.542 6.249 2.249 1.00 0.00 O ATOM 1441 CB CYS A 96 2.004 4.574 -0.423 1.00 0.00 C ATOM 1442 SG CYS A 96 1.818 3.002 -1.324 1.00 0.00 S ATOM 0 H CYS A 96 0.229 6.216 0.459 1.00 0.00 H new ATOM 0 HA CYS A 96 1.127 3.532 1.236 1.00 0.00 H new ATOM 0 HB2 CYS A 96 1.535 5.370 -1.000 1.00 0.00 H new ATOM 0 HB3 CYS A 96 3.064 4.816 -0.349 1.00 0.00 H new ATOM 1447 N GLY A 97 3.156 4.110 2.591 1.00 0.00 N ATOM 1448 CA GLY A 97 4.159 4.459 3.577 1.00 0.00 C ATOM 1449 C GLY A 97 5.470 3.739 3.343 1.00 0.00 C ATOM 1450 O GLY A 97 5.578 2.904 2.445 1.00 0.00 O ATOM 0 H GLY A 97 3.073 3.111 2.401 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.329 5.535 3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.787 4.217 4.572 1.00 0.00 H new ATOM 1454 N ALA A 98 6.470 4.066 4.152 1.00 0.00 N ATOM 1455 CA ALA A 98 7.784 3.449 4.029 1.00 0.00 C ATOM 1456 C ALA A 98 8.425 3.236 5.393 1.00 0.00 C ATOM 1457 O ALA A 98 7.953 3.761 6.403 1.00 0.00 O ATOM 1458 CB ALA A 98 8.679 4.300 3.143 1.00 0.00 C ATOM 0 H ALA A 98 6.396 4.755 4.900 1.00 0.00 H new ATOM 0 HA ALA A 98 7.659 2.470 3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.659 3.830 3.057 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.232 4.390 2.153 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.789 5.291 3.582 1.00 0.00 H new ATOM 1464 N GLY A 99 9.501 2.456 5.414 1.00 0.00 N ATOM 1465 CA GLY A 99 10.188 2.178 6.661 1.00 0.00 C ATOM 1466 C GLY A 99 11.640 2.608 6.641 1.00 0.00 C ATOM 1467 O GLY A 99 12.136 3.105 5.630 1.00 0.00 O ATOM 0 H GLY A 99 9.909 2.012 4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 99 9.674 2.689 7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 99 10.133 1.110 6.870 1.00 0.00 H new ATOM 1471 N GLU A 100 12.319 2.412 7.765 1.00 0.00 N ATOM 1472 CA GLU A 100 13.725 2.777 7.889 1.00 0.00 C ATOM 1473 C GLU A 100 14.342 2.109 9.113 1.00 0.00 C ATOM 1474 O GLU A 100 13.921 2.355 10.244 1.00 0.00 O ATOM 1475 CB GLU A 100 13.876 4.296 7.991 1.00 0.00 C ATOM 1476 CG GLU A 100 13.869 5.002 6.645 1.00 0.00 C ATOM 1477 CD GLU A 100 12.567 5.732 6.376 1.00 0.00 C ATOM 1478 OE1 GLU A 100 11.552 5.392 7.019 1.00 0.00 O ATOM 1479 OE2 GLU A 100 12.563 6.643 5.521 1.00 0.00 O ATOM 0 H GLU A 100 11.916 2.001 8.607 1.00 0.00 H new ATOM 0 HA GLU A 100 14.249 2.431 6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 100 13.066 4.692 8.604 1.00 0.00 H new ATOM 0 HB3 GLU A 100 14.808 4.526 8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 100 14.694 5.713 6.608 1.00 0.00 H new ATOM 0 HG3 GLU A 100 14.042 4.271 5.855 1.00 0.00 H new ATOM 1486 N GLY A 101 15.336 1.261 8.880 1.00 0.00 N ATOM 1487 CA GLY A 101 15.990 0.569 9.969 1.00 0.00 C ATOM 1488 C GLY A 101 15.045 -0.332 10.743 1.00 0.00 C ATOM 1489 O GLY A 101 15.355 -0.752 11.858 1.00 0.00 O ATOM 0 H GLY A 101 15.700 1.041 7.953 1.00 0.00 H new ATOM 0 HA2 GLY A 101 16.812 -0.028 9.573 1.00 0.00 H new ATOM 0 HA3 GLY A 101 16.426 1.301 10.649 1.00 0.00 H new ATOM 1493 N GLY A 102 13.891 -0.632 10.152 1.00 0.00 N ATOM 1494 CA GLY A 102 12.922 -1.488 10.811 1.00 0.00 C ATOM 1495 C GLY A 102 11.693 -0.732 11.283 1.00 0.00 C ATOM 1496 O GLY A 102 10.689 -1.340 11.653 1.00 0.00 O ATOM 0 H GLY A 102 13.611 -0.298 9.230 1.00 0.00 H new ATOM 0 HA2 GLY A 102 12.616 -2.278 10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 102 13.394 -1.973 11.665 1.00 0.00 H new ATOM 1500 N THR A 103 11.771 0.597 11.277 1.00 0.00 N ATOM 1501 CA THR A 103 10.663 1.430 11.710 1.00 0.00 C ATOM 1502 C THR A 103 9.847 1.910 10.513 1.00 0.00 C ATOM 1503 O THR A 103 10.173 1.607 9.365 1.00 0.00 O ATOM 1504 CB THR A 103 11.211 2.625 12.482 1.00 0.00 C ATOM 1505 OG1 THR A 103 12.252 2.221 13.354 1.00 0.00 O ATOM 1506 CG2 THR A 103 10.177 3.353 13.313 1.00 0.00 C ATOM 0 H THR A 103 12.595 1.117 10.975 1.00 0.00 H new ATOM 0 HA THR A 103 10.007 0.844 12.353 1.00 0.00 H new ATOM 0 HB THR A 103 11.570 3.310 11.714 1.00 0.00 H new ATOM 0 HG1 THR A 103 12.593 3.001 13.840 1.00 0.00 H new ATOM 0 HG21 THR A 103 10.648 4.189 13.830 1.00 0.00 H new ATOM 0 HG22 THR A 103 9.386 3.728 12.663 1.00 0.00 H new ATOM 0 HG23 THR A 103 9.751 2.668 14.045 1.00 0.00 H new ATOM 1514 N TRP A 104 8.788 2.661 10.789 1.00 0.00 N ATOM 1515 CA TRP A 104 7.925 3.189 9.739 1.00 0.00 C ATOM 1516 C TRP A 104 7.469 4.604 10.071 1.00 0.00 C ATOM 1517 O TRP A 104 6.591 4.805 10.910 1.00 0.00 O ATOM 1518 CB TRP A 104 6.712 2.283 9.543 1.00 0.00 C ATOM 1519 CG TRP A 104 7.073 0.926 9.029 1.00 0.00 C ATOM 1520 CD1 TRP A 104 7.527 -0.130 9.761 1.00 0.00 C ATOM 1521 CD2 TRP A 104 7.019 0.482 7.669 1.00 0.00 C ATOM 1522 NE1 TRP A 104 7.754 -1.209 8.941 1.00 0.00 N ATOM 1523 CE2 TRP A 104 7.450 -0.857 7.651 1.00 0.00 C ATOM 1524 CE3 TRP A 104 6.645 1.087 6.465 1.00 0.00 C ATOM 1525 CZ2 TRP A 104 7.517 -1.601 6.476 1.00 0.00 C ATOM 1526 CZ3 TRP A 104 6.713 0.348 5.300 1.00 0.00 C ATOM 1527 CH2 TRP A 104 7.146 -0.984 5.312 1.00 0.00 C ATOM 0 H TRP A 104 8.505 2.919 11.734 1.00 0.00 H new ATOM 0 HA TRP A 104 8.499 3.219 8.813 1.00 0.00 H new ATOM 0 HB2 TRP A 104 6.187 2.178 10.492 1.00 0.00 H new ATOM 0 HB3 TRP A 104 6.020 2.757 8.847 1.00 0.00 H new ATOM 0 HD1 TRP A 104 7.685 -0.120 10.829 1.00 0.00 H new ATOM 0 HE1 TRP A 104 8.093 -2.122 9.243 1.00 0.00 H new ATOM 0 HE3 TRP A 104 6.309 2.113 6.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 7.850 -2.628 6.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 6.427 0.805 4.364 1.00 0.00 H new ATOM 0 HH2 TRP A 104 7.188 -1.535 4.384 1.00 0.00 H new ATOM 1538 N ASP A 105 8.072 5.582 9.405 1.00 0.00 N ATOM 1539 CA ASP A 105 7.730 6.979 9.627 1.00 0.00 C ATOM 1540 C ASP A 105 7.621 7.736 8.304 1.00 0.00 C ATOM 1541 O ASP A 105 7.723 8.962 8.268 1.00 0.00 O ATOM 1542 CB ASP A 105 8.769 7.633 10.530 1.00 0.00 C ATOM 1543 CG ASP A 105 8.440 9.078 10.854 1.00 0.00 C ATOM 1544 OD1 ASP A 105 7.648 9.311 11.792 1.00 0.00 O ATOM 1545 OD2 ASP A 105 8.974 9.977 10.170 1.00 0.00 O ATOM 0 H ASP A 105 8.800 5.432 8.707 1.00 0.00 H new ATOM 0 HA ASP A 105 6.757 7.020 10.117 1.00 0.00 H new ATOM 0 HB2 ASP A 105 8.846 7.066 11.458 1.00 0.00 H new ATOM 0 HB3 ASP A 105 9.745 7.587 10.046 1.00 0.00 H new ATOM 1550 N SER A 106 7.408 6.999 7.216 1.00 0.00 N ATOM 1551 CA SER A 106 7.282 7.606 5.896 1.00 0.00 C ATOM 1552 C SER A 106 5.879 7.398 5.336 1.00 0.00 C ATOM 1553 O SER A 106 5.305 6.316 5.460 1.00 0.00 O ATOM 1554 CB SER A 106 8.322 7.018 4.939 1.00 0.00 C ATOM 1555 OG SER A 106 9.223 8.015 4.490 1.00 0.00 O ATOM 0 H SER A 106 7.319 5.983 7.224 1.00 0.00 H new ATOM 0 HA SER A 106 7.458 8.677 5.996 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.874 6.224 5.441 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.819 6.566 4.084 1.00 0.00 H new ATOM 0 HG SER A 106 8.807 8.530 3.768 1.00 0.00 H new ATOM 1561 N TRP A 107 5.331 8.440 4.720 1.00 0.00 N ATOM 1562 CA TRP A 107 3.995 8.370 4.140 1.00 0.00 C ATOM 1563 C TRP A 107 3.954 9.042 2.774 1.00 0.00 C ATOM 1564 O TRP A 107 4.879 9.759 2.392 1.00 0.00 O ATOM 1565 CB TRP A 107 2.973 9.027 5.069 1.00 0.00 C ATOM 1566 CG TRP A 107 3.018 8.503 6.470 1.00 0.00 C ATOM 1567 CD1 TRP A 107 3.817 8.944 7.483 1.00 0.00 C ATOM 1568 CD2 TRP A 107 2.228 7.439 7.014 1.00 0.00 C ATOM 1569 NE1 TRP A 107 3.575 8.218 8.625 1.00 0.00 N ATOM 1570 CE2 TRP A 107 2.603 7.289 8.362 1.00 0.00 C ATOM 1571 CE3 TRP A 107 1.240 6.600 6.491 1.00 0.00 C ATOM 1572 CZ2 TRP A 107 2.025 6.333 9.194 1.00 0.00 C ATOM 1573 CZ3 TRP A 107 0.666 5.652 7.318 1.00 0.00 C ATOM 1574 CH2 TRP A 107 1.060 5.525 8.656 1.00 0.00 C ATOM 0 H TRP A 107 5.792 9.343 4.610 1.00 0.00 H new ATOM 0 HA TRP A 107 3.742 7.317 4.016 1.00 0.00 H new ATOM 0 HB2 TRP A 107 3.148 10.103 5.086 1.00 0.00 H new ATOM 0 HB3 TRP A 107 1.973 8.873 4.664 1.00 0.00 H new ATOM 0 HD1 TRP A 107 4.535 9.746 7.400 1.00 0.00 H new ATOM 0 HE1 TRP A 107 4.043 8.350 9.522 1.00 0.00 H new ATOM 0 HE3 TRP A 107 0.931 6.690 5.460 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 2.327 6.233 10.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -0.099 4.998 6.926 1.00 0.00 H new ATOM 0 HH2 TRP A 107 0.593 4.774 9.276 1.00 0.00 H new ATOM 1585 N GLY A 108 2.872 8.803 2.045 1.00 0.00 N ATOM 1586 CA GLY A 108 2.719 9.389 0.727 1.00 0.00 C ATOM 1587 C GLY A 108 1.624 10.437 0.683 1.00 0.00 C ATOM 1588 O GLY A 108 1.279 11.027 1.707 1.00 0.00 O ATOM 0 H GLY A 108 2.096 8.212 2.343 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.663 9.841 0.422 1.00 0.00 H new ATOM 0 HA3 GLY A 108 2.494 8.602 0.007 1.00 0.00 H new ATOM 1592 N GLN A 109 1.074 10.668 -0.505 1.00 0.00 N ATOM 1593 CA GLN A 109 0.013 11.648 -0.679 1.00 0.00 C ATOM 1594 C GLN A 109 -1.343 11.056 -0.306 1.00 0.00 C ATOM 1595 O GLN A 109 -2.165 11.714 0.330 1.00 0.00 O ATOM 1596 CB GLN A 109 -0.010 12.142 -2.119 1.00 0.00 C ATOM 1597 CG GLN A 109 0.805 13.405 -2.344 1.00 0.00 C ATOM 1598 CD GLN A 109 1.098 13.656 -3.810 1.00 0.00 C ATOM 1599 OE1 GLN A 109 0.569 12.972 -4.686 1.00 0.00 O ATOM 1600 NE2 GLN A 109 1.946 14.640 -4.084 1.00 0.00 N ATOM 0 H GLN A 109 1.348 10.187 -1.362 1.00 0.00 H new ATOM 0 HA GLN A 109 0.212 12.489 -0.015 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.369 11.354 -2.770 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -1.043 12.329 -2.413 1.00 0.00 H new ATOM 0 HG2 GLN A 109 0.266 14.259 -1.934 1.00 0.00 H new ATOM 0 HG3 GLN A 109 1.745 13.329 -1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 109 2.361 15.181 -3.326 1.00 0.00 H new ATOM 0 HE22 GLN A 109 2.182 14.855 -5.053 1.00 0.00 H new ATOM 1609 N GLY A 110 -1.567 9.807 -0.704 1.00 0.00 N ATOM 1610 CA GLY A 110 -2.822 9.146 -0.400 1.00 0.00 C ATOM 1611 C GLY A 110 -3.740 9.046 -1.603 1.00 0.00 C ATOM 1612 O GLY A 110 -3.696 9.887 -2.501 1.00 0.00 O ATOM 0 H GLY A 110 -0.902 9.242 -1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -2.617 8.145 -0.021 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -3.331 9.691 0.395 1.00 0.00 H new ATOM 1616 N THR A 111 -4.578 8.014 -1.615 1.00 0.00 N ATOM 1617 CA THR A 111 -5.521 7.800 -2.705 1.00 0.00 C ATOM 1618 C THR A 111 -6.741 7.038 -2.200 1.00 0.00 C ATOM 1619 O THR A 111 -6.618 5.930 -1.679 1.00 0.00 O ATOM 1620 CB THR A 111 -4.851 7.035 -3.854 1.00 0.00 C ATOM 1621 OG1 THR A 111 -5.661 7.066 -5.015 1.00 0.00 O ATOM 1622 CG2 THR A 111 -4.567 5.583 -3.532 1.00 0.00 C ATOM 0 H THR A 111 -4.622 7.310 -0.878 1.00 0.00 H new ATOM 0 HA THR A 111 -5.844 8.770 -3.082 1.00 0.00 H new ATOM 0 HB THR A 111 -3.900 7.543 -4.018 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.092 7.030 -5.812 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.093 5.106 -4.390 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.901 5.525 -2.671 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.502 5.072 -3.303 1.00 0.00 H new ATOM 1630 N GLN A 112 -7.917 7.637 -2.342 1.00 0.00 N ATOM 1631 CA GLN A 112 -9.143 7.015 -1.885 1.00 0.00 C ATOM 1632 C GLN A 112 -9.606 5.936 -2.859 1.00 0.00 C ATOM 1633 O GLN A 112 -9.449 6.069 -4.073 1.00 0.00 O ATOM 1634 CB GLN A 112 -10.220 8.084 -1.713 1.00 0.00 C ATOM 1635 CG GLN A 112 -10.957 8.003 -0.384 1.00 0.00 C ATOM 1636 CD GLN A 112 -12.368 7.460 -0.512 1.00 0.00 C ATOM 1637 OE1 GLN A 112 -12.564 6.523 -1.431 1.00 0.00 O flip ATOM 1638 NE2 GLN A 112 -13.273 7.880 0.209 1.00 0.00 N flip ATOM 0 H GLN A 112 -8.043 8.554 -2.771 1.00 0.00 H new ATOM 0 HA GLN A 112 -8.958 6.533 -0.925 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -9.760 9.068 -1.804 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -10.942 7.993 -2.525 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -10.392 7.369 0.299 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.997 8.996 0.063 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.079 8.602 0.903 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.217 7.506 0.112 1.00 0.00 H new ATOM 1647 N VAL A 113 -10.179 4.868 -2.314 1.00 0.00 N ATOM 1648 CA VAL A 113 -10.671 3.763 -3.115 1.00 0.00 C ATOM 1649 C VAL A 113 -12.187 3.652 -2.990 1.00 0.00 C ATOM 1650 O VAL A 113 -12.724 3.610 -1.881 1.00 0.00 O ATOM 1651 CB VAL A 113 -10.018 2.443 -2.668 1.00 0.00 C ATOM 1652 CG1 VAL A 113 -10.691 1.243 -3.323 1.00 0.00 C ATOM 1653 CG2 VAL A 113 -8.528 2.457 -2.975 1.00 0.00 C ATOM 0 H VAL A 113 -10.313 4.748 -1.310 1.00 0.00 H new ATOM 0 HA VAL A 113 -10.411 3.953 -4.156 1.00 0.00 H new ATOM 0 HB VAL A 113 -10.151 2.350 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -10.207 0.326 -2.987 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -11.745 1.220 -3.045 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -10.604 1.323 -4.407 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -8.081 1.516 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.379 2.581 -4.048 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.055 3.284 -2.445 1.00 0.00 H new ATOM 1663 N THR A 114 -12.871 3.608 -4.129 1.00 0.00 N ATOM 1664 CA THR A 114 -14.324 3.505 -4.146 1.00 0.00 C ATOM 1665 C THR A 114 -14.767 2.073 -4.428 1.00 0.00 C ATOM 1666 O THR A 114 -14.296 1.441 -5.373 1.00 0.00 O ATOM 1667 CB THR A 114 -14.910 4.453 -5.195 1.00 0.00 C ATOM 1668 OG1 THR A 114 -14.557 5.795 -4.911 1.00 0.00 O ATOM 1669 CG2 THR A 114 -16.420 4.386 -5.287 1.00 0.00 C ATOM 0 H THR A 114 -12.440 3.642 -5.053 1.00 0.00 H new ATOM 0 HA THR A 114 -14.696 3.790 -3.162 1.00 0.00 H new ATOM 0 HB THR A 114 -14.489 4.126 -6.146 1.00 0.00 H new ATOM 0 HG1 THR A 114 -15.323 6.380 -5.091 1.00 0.00 H new ATOM 0 HG21 THR A 114 -16.769 5.083 -6.049 1.00 0.00 H new ATOM 0 HG22 THR A 114 -16.724 3.374 -5.554 1.00 0.00 H new ATOM 0 HG23 THR A 114 -16.855 4.653 -4.324 1.00 0.00 H new ATOM 1677 N VAL A 115 -15.676 1.569 -3.600 1.00 0.00 N ATOM 1678 CA VAL A 115 -16.187 0.211 -3.756 1.00 0.00 C ATOM 1679 C VAL A 115 -17.706 0.183 -3.575 1.00 0.00 C ATOM 1680 O VAL A 115 -18.364 1.219 -3.668 1.00 0.00 O ATOM 1681 CB VAL A 115 -15.527 -0.768 -2.756 1.00 0.00 C ATOM 1682 CG1 VAL A 115 -15.317 -2.131 -3.401 1.00 0.00 C ATOM 1683 CG2 VAL A 115 -14.204 -0.214 -2.242 1.00 0.00 C ATOM 0 H VAL A 115 -16.075 2.081 -2.813 1.00 0.00 H new ATOM 0 HA VAL A 115 -15.937 -0.113 -4.766 1.00 0.00 H new ATOM 0 HB VAL A 115 -16.199 -0.885 -1.906 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -14.852 -2.806 -2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -16.279 -2.539 -3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -14.670 -2.026 -4.272 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -13.761 -0.921 -1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -13.524 -0.060 -3.080 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -14.379 0.736 -1.737 1.00 0.00 H new ATOM 1693 N SER A 116 -18.260 -1.003 -3.323 1.00 0.00 N ATOM 1694 CA SER A 116 -19.700 -1.159 -3.135 1.00 0.00 C ATOM 1695 C SER A 116 -20.431 -1.095 -4.471 1.00 0.00 C ATOM 1696 O SER A 116 -19.837 -0.777 -5.501 1.00 0.00 O ATOM 1697 CB SER A 116 -20.246 -0.087 -2.188 1.00 0.00 C ATOM 1698 OG SER A 116 -21.514 -0.457 -1.674 1.00 0.00 O ATOM 0 H SER A 116 -17.731 -1.871 -3.244 1.00 0.00 H new ATOM 0 HA SER A 116 -19.873 -2.138 -2.689 1.00 0.00 H new ATOM 0 HB2 SER A 116 -19.547 0.066 -1.365 1.00 0.00 H new ATOM 0 HB3 SER A 116 -20.328 0.862 -2.717 1.00 0.00 H new ATOM 0 HG SER A 116 -21.840 0.243 -1.071 1.00 0.00 H new ATOM 1704 N SER A 117 -21.724 -1.401 -4.447 1.00 0.00 N ATOM 1705 CA SER A 117 -22.537 -1.382 -5.657 1.00 0.00 C ATOM 1706 C SER A 117 -22.535 0.004 -6.294 1.00 0.00 C ATOM 1707 O SER A 117 -22.620 0.083 -7.537 1.00 0.00 O ATOM 1708 CB SER A 117 -23.972 -1.807 -5.339 1.00 0.00 C ATOM 1709 OG SER A 117 -24.815 -1.641 -6.466 1.00 0.00 O ATOM 1710 OXT SER A 117 -22.448 0.999 -5.544 1.00 0.00 O ATOM 0 H SER A 117 -22.231 -1.665 -3.602 1.00 0.00 H new ATOM 0 HA SER A 117 -22.104 -2.088 -6.366 1.00 0.00 H new ATOM 0 HB2 SER A 117 -23.984 -2.850 -5.023 1.00 0.00 H new ATOM 0 HB3 SER A 117 -24.353 -1.217 -4.506 1.00 0.00 H new ATOM 0 HG SER A 117 -25.726 -1.921 -6.237 1.00 0.00 H new TER 1716 SER A 117