USER MOD reduce.3.24.130724 H: found=0, std=0, add=1287, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1275 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 NoAdj-H: A 90 HIS HE2 : A 90 HIS NE2 : A 173 CU1CU :(H bumps) USER MOD Set 1.1: A 81 THR OG1 : rot -57:sc= 0.334 USER MOD Set 1.2: A 135 HIS : no HD1:sc= 0.302 K(o=0.64,f=0) USER MOD Set 2.1: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 134 HIS : no HE2:sc= -0.953 X(o=-0.95,f=-0.93) USER MOD Set 3.1: A 86 TYR OH : rot 30:sc= 0.597 USER MOD Set 3.2: A 92 THR OG1 : rot -114:sc= 0.62 USER MOD Set 3.3: A 123 HIS : no HE2:sc= -0.125 K(o=1.7,f=1.1) USER MOD Set 3.4: A 126 SER OG : rot -101:sc= 0.258 USER MOD Set 3.5: A 131 ASN : amide:sc= 0.31 K(o=1.7,f=0.54) USER MOD Set 4.1: A 75 MET CE :methyl -171:sc= 0 (180deg=-0.0527) USER MOD Set 4.2: A 76 THR OG1 : rot 180:sc= 0.079 USER MOD Set 4.3: A 80 HIS : no HD1:sc= 0.587 K(o=0.67,f=-3.9!) USER MOD Set 5.1: A 1 HIS : no HD1:sc=-0.00209 X(o=0.27,f=-0.095) USER MOD Set 5.2: A 163 GLN : amide:sc= 0.274 K(o=0.27,f=-0.33) USER MOD Single : A 1 HIS N :NH3+ 179:sc= -0.404 (180deg=-0.419) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= -0.0373 USER MOD Single : A 22 ASN : amide:sc= -0.0279 X(o=-0.028,f=-0.028) USER MOD Single : A 24 ASN : amide:sc= -0.146 K(o=-0.15,f=-3!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc=-0.00472 K(o=-0.0047,f=-0.92) USER MOD Single : A 34 SER OG : rot -60:sc= 0.605 USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0246) USER MOD Single : A 39 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0676) USER MOD Single : A 43 HIS : no HD1:sc= 0.495 K(o=0.49,f=-1.9!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 53 SER OG : rot 180:sc= 0.333 USER MOD Single : A 64 GLN : amide:sc= 0.119 X(o=0.12,f=-0.012) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.061) USER MOD Single : A 66 SER OG : rot 180:sc=0.000282 USER MOD Single : A 68 ASN : amide:sc=-0.000728 X(o=-0.00073,f=-0.21) USER MOD Single : A 72 LYS NZ :NH3+ -168:sc= 1.1 (180deg=0.974) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot -70:sc= 0.651 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.0503 K(o=-0.05,f=-2!) USER MOD Single : A 93 SER OG : rot -170:sc=-2.69e-06 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= -0.0312 X(o=-0.031,f=0) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot -63:sc= 0.194 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ -176:sc= -0.0074 (180deg=-0.035) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 129 SER OG : rot 180:sc= -0.0553 USER MOD Single : A 133 SER OG : rot 160:sc= -0.0177 USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 145 TYR OH : rot 180:sc= 0 USER MOD Single : A 146 HIS :FLIP no HD1:sc= -0.538 F(o=-2.2,f=-0.54) USER MOD Single : A 157 THR OG1 : rot 169:sc= -0.255! USER MOD Single : A 159 ASN : amide:sc= 0.98 K(o=0.98,f=-4.5!) USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 171 ASN : amide:sc= -0.0944 K(o=-0.094,f=-1!) USER MOD Single : A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 -2.935 4.655 -1.152 1.00 25.00 N ATOM 2 CA HIS A 1 -2.805 6.042 -1.735 1.00 25.00 C ATOM 3 C HIS A 1 -2.735 5.988 -3.272 1.00 25.00 C ATOM 4 O HIS A 1 -3.291 6.858 -3.960 1.00 25.00 O ATOM 5 CB HIS A 1 -1.685 6.804 -1.124 1.00 0.00 C ATOM 6 CG HIS A 1 -0.352 6.438 -1.672 1.00 0.00 C ATOM 7 ND1 HIS A 1 0.267 5.258 -1.374 1.00 0.00 N ATOM 8 CD2 HIS A 1 0.482 7.157 -2.467 1.00 0.00 C ATOM 9 CE1 HIS A 1 1.538 5.402 -1.877 1.00 0.00 C ATOM 10 NE2 HIS A 1 1.695 6.545 -2.517 1.00 0.00 N ATOM 0 H1 HIS A 1 -2.963 4.716 -0.114 1.00 25.00 H new ATOM 0 H2 HIS A 1 -3.811 4.214 -1.497 1.00 25.00 H new ATOM 0 H3 HIS A 1 -2.120 4.078 -1.443 1.00 25.00 H new ATOM 0 HA HIS A 1 -3.707 6.599 -1.481 1.00 25.00 H new ATOM 0 HB2 HIS A 1 -1.853 7.870 -1.280 1.00 0.00 H new ATOM 0 HB3 HIS A 1 -1.686 6.635 -0.047 1.00 0.00 H new ATOM 0 HD2 HIS A 1 0.222 8.072 -2.979 1.00 0.00 H new ATOM 0 HE1 HIS A 1 2.318 4.664 -1.762 1.00 0.00 H new ATOM 0 HE2 HIS A 1 2.546 6.895 -2.956 1.00 0.00 H new ATOM 17 N GLY A 2 -2.170 4.895 -3.808 1.00 25.00 N ATOM 18 CA GLY A 2 -2.088 4.659 -5.226 1.00 25.00 C ATOM 19 C GLY A 2 -0.881 5.210 -5.944 1.00 25.00 C ATOM 20 O GLY A 2 0.128 5.365 -5.282 1.00 25.00 O ATOM 0 H GLY A 2 -1.757 4.151 -3.246 1.00 25.00 H new ATOM 0 HA2 GLY A 2 -2.119 3.582 -5.392 1.00 25.00 H new ATOM 0 HA3 GLY A 2 -2.980 5.079 -5.691 1.00 25.00 H new ATOM 24 N PHE A 3 -0.942 5.377 -7.252 1.00 25.00 N ATOM 25 CA PHE A 3 0.135 5.823 -8.130 1.00 25.00 C ATOM 26 C PHE A 3 -0.269 6.954 -9.048 1.00 25.00 C ATOM 27 O PHE A 3 -1.457 7.125 -9.408 1.00 25.00 O ATOM 28 CB PHE A 3 0.596 4.650 -9.031 1.00 25.00 C ATOM 29 CG PHE A 3 1.344 3.567 -8.283 1.00 25.00 C ATOM 30 CD1 PHE A 3 2.744 3.419 -8.569 1.00 50.00 C ATOM 31 CD2 PHE A 3 0.756 2.692 -7.317 1.00 50.00 C ATOM 32 CE1 PHE A 3 3.507 2.491 -7.869 1.00 25.00 C ATOM 33 CE2 PHE A 3 1.534 1.717 -6.661 1.00 25.00 C ATOM 34 CZ PHE A 3 2.860 1.639 -6.917 1.00 25.00 C ATOM 0 H PHE A 3 -1.802 5.193 -7.769 1.00 25.00 H new ATOM 0 HA PHE A 3 0.929 6.176 -7.471 1.00 25.00 H new ATOM 0 HB2 PHE A 3 -0.276 4.210 -9.514 1.00 25.00 H new ATOM 0 HB3 PHE A 3 1.235 5.041 -9.823 1.00 25.00 H new ATOM 0 HD1 PHE A 3 3.205 4.031 -9.330 1.00 50.00 H new ATOM 0 HD2 PHE A 3 -0.296 2.779 -7.088 1.00 50.00 H new ATOM 0 HE1 PHE A 3 4.571 2.414 -8.040 1.00 25.00 H new ATOM 0 HE2 PHE A 3 1.075 1.037 -5.959 1.00 25.00 H new ATOM 0 HZ PHE A 3 3.451 0.909 -6.385 1.00 25.00 H new ATOM 44 N ILE A 4 0.734 7.704 -9.493 1.00 25.00 N ATOM 45 CA ILE A 4 0.435 8.795 -10.400 1.00 25.00 C ATOM 46 C ILE A 4 0.682 8.127 -11.775 1.00 25.00 C ATOM 47 O ILE A 4 1.742 7.616 -12.037 1.00 25.00 O ATOM 48 CB ILE A 4 1.475 9.914 -10.339 1.00 25.00 C ATOM 49 CG1 ILE A 4 1.511 10.532 -8.914 1.00 25.00 C ATOM 50 CG2 ILE A 4 1.171 11.024 -11.414 1.00 25.00 C ATOM 51 CD1 ILE A 4 2.643 11.434 -8.607 1.00 25.00 C ATOM 0 H ILE A 4 1.718 7.583 -9.252 1.00 25.00 H new ATOM 0 HA ILE A 4 -0.547 9.219 -10.191 1.00 25.00 H new ATOM 0 HB ILE A 4 2.453 9.488 -10.563 1.00 25.00 H new ATOM 0 HG12 ILE A 4 0.584 11.085 -8.760 1.00 25.00 H new ATOM 0 HG13 ILE A 4 1.520 9.717 -8.190 1.00 25.00 H new ATOM 0 HG21 ILE A 4 1.925 11.809 -11.350 1.00 25.00 H new ATOM 0 HG22 ILE A 4 1.191 10.581 -12.410 1.00 25.00 H new ATOM 0 HG23 ILE A 4 0.186 11.451 -11.227 1.00 25.00 H new ATOM 0 HD11 ILE A 4 2.551 11.798 -7.584 1.00 25.00 H new ATOM 0 HD12 ILE A 4 3.581 10.890 -8.716 1.00 25.00 H new ATOM 0 HD13 ILE A 4 2.631 12.280 -9.295 1.00 25.00 H new ATOM 63 N GLU A 5 -0.349 8.215 -12.603 1.00 25.00 N ATOM 64 CA GLU A 5 -0.330 7.673 -13.944 1.00 25.00 C ATOM 65 C GLU A 5 0.189 8.680 -15.023 1.00 25.00 C ATOM 66 O GLU A 5 0.939 8.305 -15.868 1.00 25.00 O ATOM 67 CB GLU A 5 -1.729 7.260 -14.307 1.00 25.00 C ATOM 68 CG GLU A 5 -1.771 6.077 -15.216 1.00 25.00 C ATOM 69 CD GLU A 5 -3.157 5.827 -15.727 1.00 25.00 C ATOM 70 OE1 GLU A 5 -3.674 6.657 -16.496 1.00 25.00 O ATOM 71 OE2 GLU A 5 -3.771 4.742 -15.483 1.00 25.00 O1- ATOM 0 H GLU A 5 -1.228 8.670 -12.356 1.00 25.00 H new ATOM 0 HA GLU A 5 0.363 6.831 -13.939 1.00 25.00 H new ATOM 0 HB2 GLU A 5 -2.282 7.031 -13.396 1.00 25.00 H new ATOM 0 HB3 GLU A 5 -2.236 8.097 -14.786 1.00 25.00 H new ATOM 0 HG2 GLU A 5 -1.096 6.238 -16.056 1.00 25.00 H new ATOM 0 HG3 GLU A 5 -1.413 5.195 -14.684 1.00 25.00 H new ATOM 78 N LYS A 6 -0.230 9.933 -14.881 1.00 25.00 N ATOM 79 CA LYS A 6 0.207 11.032 -15.757 1.00 25.00 C ATOM 80 C LYS A 6 0.150 12.204 -14.746 1.00 25.00 C ATOM 81 O LYS A 6 -0.772 12.192 -13.927 1.00 25.00 O ATOM 82 CB LYS A 6 -0.749 11.241 -16.956 1.00 25.00 C ATOM 83 CG LYS A 6 -0.774 10.235 -18.083 1.00 25.00 C ATOM 84 CD LYS A 6 0.366 10.508 -19.081 1.00 25.00 C ATOM 85 CE LYS A 6 0.462 9.556 -20.222 1.00 25.00 C ATOM 86 NZ LYS A 6 1.537 9.826 -21.203 1.00 25.00 N1+ ATOM 0 H LYS A 6 -0.885 10.223 -14.155 1.00 25.00 H new ATOM 0 HA LYS A 6 1.174 10.885 -16.238 1.00 25.00 H new ATOM 0 HB2 LYS A 6 -1.761 11.307 -16.557 1.00 25.00 H new ATOM 0 HB3 LYS A 6 -0.515 12.212 -17.393 1.00 25.00 H new ATOM 0 HG2 LYS A 6 -0.677 9.227 -17.680 1.00 25.00 H new ATOM 0 HG3 LYS A 6 -1.734 10.282 -18.598 1.00 25.00 H new ATOM 0 HD2 LYS A 6 0.242 11.515 -19.480 1.00 25.00 H new ATOM 0 HD3 LYS A 6 1.311 10.494 -18.538 1.00 25.00 H new ATOM 0 HE2 LYS A 6 0.607 8.553 -19.821 1.00 25.00 H new ATOM 0 HE3 LYS A 6 -0.492 9.554 -20.749 1.00 25.00 H new ATOM 0 HZ1 LYS A 6 1.512 9.105 -21.952 1.00 25.00 H new ATOM 0 HZ2 LYS A 6 1.395 10.767 -21.623 1.00 25.00 H new ATOM 0 HZ3 LYS A 6 2.460 9.796 -20.724 1.00 25.00 H new ATOM 100 N PRO A 7 0.962 13.242 -14.869 1.00 25.00 N ATOM 101 CA PRO A 7 1.954 13.505 -15.882 1.00 25.00 C ATOM 102 C PRO A 7 3.181 12.655 -15.755 1.00 25.00 C ATOM 103 O PRO A 7 3.739 12.473 -14.696 1.00 25.00 O ATOM 104 CB PRO A 7 2.332 14.954 -15.681 1.00 25.00 C ATOM 105 CG PRO A 7 2.068 15.204 -14.195 1.00 25.00 C ATOM 106 CD PRO A 7 0.819 14.469 -13.989 1.00 25.00 C ATOM 0 HA PRO A 7 1.546 13.281 -16.867 1.00 25.00 H new ATOM 0 HB2 PRO A 7 3.376 15.133 -15.936 1.00 25.00 H new ATOM 0 HB3 PRO A 7 1.733 15.613 -16.309 1.00 25.00 H new ATOM 0 HG2 PRO A 7 2.874 14.826 -13.567 1.00 25.00 H new ATOM 0 HG3 PRO A 7 1.960 16.265 -13.971 1.00 25.00 H new ATOM 0 HD2 PRO A 7 0.686 14.195 -12.942 1.00 25.00 H new ATOM 0 HD3 PRO A 7 -0.047 15.066 -14.275 1.00 25.00 H new ATOM 114 N GLY A 8 3.671 12.202 -16.856 1.00 25.00 N ATOM 115 CA GLY A 8 4.883 11.481 -16.870 1.00 25.00 C ATOM 116 C GLY A 8 4.909 10.131 -16.151 1.00 25.00 C ATOM 117 O GLY A 8 3.876 9.469 -15.985 1.00 25.00 O ATOM 0 H GLY A 8 3.237 12.324 -17.771 1.00 25.00 H new ATOM 0 HA2 GLY A 8 5.163 11.314 -17.910 1.00 25.00 H new ATOM 0 HA3 GLY A 8 5.655 12.112 -16.429 1.00 25.00 H new ATOM 121 N SER A 9 6.127 9.741 -15.732 1.00 25.00 N ATOM 122 CA SER A 9 6.404 8.550 -14.915 1.00 25.00 C ATOM 123 C SER A 9 7.429 8.902 -13.828 1.00 25.00 C ATOM 124 O SER A 9 8.588 9.160 -14.089 1.00 25.00 O ATOM 125 CB SER A 9 7.042 7.454 -15.865 1.00 25.00 C ATOM 126 OG SER A 9 7.673 6.446 -15.129 1.00 25.00 O ATOM 0 H SER A 9 6.972 10.265 -15.962 1.00 25.00 H new ATOM 0 HA SER A 9 5.487 8.189 -14.450 1.00 25.00 H new ATOM 0 HB2 SER A 9 6.265 7.017 -16.492 1.00 25.00 H new ATOM 0 HB3 SER A 9 7.763 7.925 -16.533 1.00 25.00 H new ATOM 0 HG SER A 9 8.055 5.784 -15.742 1.00 25.00 H new ATOM 132 N ARG A 10 7.027 8.852 -12.546 1.00 25.00 N ATOM 133 CA ARG A 10 7.946 9.231 -11.482 1.00 25.00 C ATOM 134 C ARG A 10 9.143 8.269 -11.297 1.00 25.00 C ATOM 135 O ARG A 10 10.252 8.624 -10.921 1.00 25.00 O ATOM 136 CB ARG A 10 7.192 9.398 -10.160 1.00 25.00 C ATOM 137 CG ARG A 10 6.563 8.179 -9.540 1.00 25.00 C ATOM 138 CD ARG A 10 5.906 8.409 -8.172 1.00 25.00 C ATOM 139 NE ARG A 10 5.242 7.165 -7.665 1.00 25.00 N ATOM 140 CZ ARG A 10 4.616 7.025 -6.500 1.00 25.00 C ATOM 141 NH1 ARG A 10 4.762 7.849 -5.492 1.00 25.00 N1+ ATOM 142 NH2 ARG A 10 3.947 5.924 -6.313 1.00 25.00 N ATOM 0 H ARG A 10 6.100 8.561 -12.237 1.00 25.00 H new ATOM 0 HA ARG A 10 8.377 10.183 -11.793 1.00 25.00 H new ATOM 0 HB2 ARG A 10 7.885 9.821 -9.433 1.00 25.00 H new ATOM 0 HB3 ARG A 10 6.405 10.135 -10.317 1.00 25.00 H new ATOM 0 HG2 ARG A 10 5.811 7.789 -10.226 1.00 25.00 H new ATOM 0 HG3 ARG A 10 7.327 7.409 -9.434 1.00 25.00 H new ATOM 0 HD2 ARG A 10 6.659 8.738 -7.456 1.00 25.00 H new ATOM 0 HD3 ARG A 10 5.170 9.209 -8.251 1.00 25.00 H new ATOM 0 HE ARG A 10 5.273 6.346 -8.272 1.00 25.00 H new ATOM 0 HH11 ARG A 10 5.385 8.653 -5.576 1.00 25.00 H new ATOM 0 HH12 ARG A 10 4.253 7.687 -4.623 1.00 25.00 H new ATOM 0 HH21 ARG A 10 3.919 5.214 -7.044 1.00 25.00 H new ATOM 0 HH22 ARG A 10 3.451 5.772 -5.435 1.00 25.00 H new ATOM 156 N ALA A 11 8.991 7.004 -11.710 1.00 25.00 N ATOM 157 CA ALA A 11 10.074 6.025 -11.772 1.00 25.00 C ATOM 158 C ALA A 11 11.179 6.350 -12.816 1.00 25.00 C ATOM 159 O ALA A 11 12.377 6.071 -12.655 1.00 25.00 O ATOM 160 CB ALA A 11 9.494 4.641 -12.015 1.00 25.00 C ATOM 0 H ALA A 11 8.093 6.629 -12.015 1.00 25.00 H new ATOM 0 HA ALA A 11 10.578 6.063 -10.806 1.00 25.00 H new ATOM 0 HB1 ALA A 11 10.302 3.911 -12.061 1.00 25.00 H new ATOM 0 HB2 ALA A 11 8.817 4.382 -11.201 1.00 25.00 H new ATOM 0 HB3 ALA A 11 8.946 4.636 -12.957 1.00 25.00 H new ATOM 166 N ALA A 12 10.776 7.009 -13.890 1.00 25.00 N ATOM 167 CA ALA A 12 11.722 7.400 -14.932 1.00 25.00 C ATOM 168 C ALA A 12 12.747 8.452 -14.372 1.00 25.00 C ATOM 169 O ALA A 12 13.919 8.468 -14.589 1.00 25.00 O ATOM 170 CB ALA A 12 11.021 7.859 -16.198 1.00 25.00 C ATOM 0 H ALA A 12 9.810 7.284 -14.066 1.00 25.00 H new ATOM 0 HA ALA A 12 12.294 6.520 -15.227 1.00 25.00 H new ATOM 0 HB1 ALA A 12 11.764 8.140 -16.944 1.00 25.00 H new ATOM 0 HB2 ALA A 12 10.405 7.049 -16.587 1.00 25.00 H new ATOM 0 HB3 ALA A 12 10.390 8.719 -15.973 1.00 25.00 H new ATOM 176 N LEU A 13 12.174 9.362 -13.644 1.00 25.00 N ATOM 177 CA LEU A 13 12.800 10.603 -13.143 1.00 25.00 C ATOM 178 C LEU A 13 13.589 10.274 -11.914 1.00 25.00 C ATOM 179 O LEU A 13 14.392 11.088 -11.466 1.00 25.00 O ATOM 180 CB LEU A 13 11.676 11.578 -12.770 1.00 25.00 C ATOM 181 CG LEU A 13 10.844 12.319 -13.837 1.00 25.00 C ATOM 182 CD1 LEU A 13 10.591 11.629 -15.165 1.00 75.00 C ATOM 183 CD2 LEU A 13 9.474 12.673 -13.208 1.00 75.00 C ATOM 0 H LEU A 13 11.200 9.277 -13.353 1.00 25.00 H new ATOM 0 HA LEU A 13 13.454 11.043 -13.896 1.00 25.00 H new ATOM 0 HB2 LEU A 13 10.970 11.022 -12.153 1.00 25.00 H new ATOM 0 HB3 LEU A 13 12.122 12.342 -12.134 1.00 25.00 H new ATOM 0 HG LEU A 13 11.464 13.174 -14.107 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.993 12.278 -15.804 1.00 75.00 H new ATOM 0 HD12 LEU A 13 11.543 11.417 -15.652 1.00 75.00 H new ATOM 0 HD13 LEU A 13 10.055 10.695 -14.994 1.00 75.00 H new ATOM 0 HD21 LEU A 13 8.862 13.199 -13.941 1.00 75.00 H new ATOM 0 HD22 LEU A 13 8.967 11.758 -12.902 1.00 75.00 H new ATOM 0 HD23 LEU A 13 9.627 13.311 -12.338 1.00 75.00 H new ATOM 195 N CYS A 14 13.310 9.145 -11.346 1.00 25.00 N ATOM 196 CA CYS A 14 14.040 8.674 -10.176 1.00 25.00 C ATOM 197 C CYS A 14 15.496 8.324 -10.534 1.00 25.00 C ATOM 198 O CYS A 14 16.271 8.055 -9.678 1.00 25.00 O ATOM 199 CB CYS A 14 13.324 7.484 -9.549 1.00 25.00 C ATOM 200 SG CYS A 14 13.655 7.400 -7.733 1.00 25.00 S ATOM 0 H CYS A 14 12.576 8.514 -11.666 1.00 25.00 H new ATOM 0 HA CYS A 14 14.070 9.480 -9.442 1.00 25.00 H new ATOM 0 HB2 CYS A 14 12.251 7.566 -9.724 1.00 25.00 H new ATOM 0 HB3 CYS A 14 13.655 6.562 -10.026 1.00 25.00 H new ATOM 205 N SER A 15 15.798 8.221 -11.801 1.00 25.00 N ATOM 206 CA SER A 15 17.112 7.768 -12.256 1.00 25.00 C ATOM 207 C SER A 15 18.321 8.730 -11.827 1.00 25.00 C ATOM 208 O SER A 15 18.141 9.933 -11.536 1.00 25.00 O ATOM 209 CB SER A 15 17.095 7.669 -13.769 1.00 25.00 C ATOM 210 OG SER A 15 18.383 7.367 -14.241 1.00 25.00 O ATOM 0 H SER A 15 15.150 8.445 -12.556 1.00 25.00 H new ATOM 0 HA SER A 15 17.290 6.805 -11.778 1.00 25.00 H new ATOM 0 HB2 SER A 15 16.392 6.898 -14.084 1.00 25.00 H new ATOM 0 HB3 SER A 15 16.751 8.609 -14.200 1.00 25.00 H new ATOM 0 HG SER A 15 18.366 7.302 -15.219 1.00 25.00 H new ATOM 216 N GLU A 16 19.519 8.139 -11.778 1.00 25.00 N ATOM 217 CA GLU A 16 20.740 8.894 -11.481 1.00 25.00 C ATOM 218 C GLU A 16 21.154 9.720 -12.684 1.00 25.00 C ATOM 219 O GLU A 16 21.515 10.850 -12.529 1.00 25.00 O ATOM 220 CB GLU A 16 21.918 7.962 -11.119 1.00 25.00 C ATOM 221 CG GLU A 16 21.701 7.261 -9.803 1.00 25.00 C ATOM 222 CD GLU A 16 22.847 6.418 -9.369 1.00 25.00 C ATOM 223 OE1 GLU A 16 22.733 5.778 -8.328 1.00 25.00 O ATOM 224 OE2 GLU A 16 23.969 6.482 -9.902 1.00 25.00 O1- ATOM 0 H GLU A 16 19.669 7.143 -11.940 1.00 25.00 H new ATOM 0 HA GLU A 16 20.514 9.536 -10.629 1.00 25.00 H new ATOM 0 HB2 GLU A 16 22.049 7.221 -11.907 1.00 25.00 H new ATOM 0 HB3 GLU A 16 22.839 8.543 -11.072 1.00 25.00 H new ATOM 0 HG2 GLU A 16 21.501 8.008 -9.034 1.00 25.00 H new ATOM 0 HG3 GLU A 16 20.812 6.635 -9.879 1.00 25.00 H new ATOM 231 N ALA A 17 20.883 9.162 -13.858 1.00 25.00 N ATOM 232 CA ALA A 17 21.076 9.915 -15.081 1.00 25.00 C ATOM 233 C ALA A 17 20.162 11.115 -15.281 1.00 25.00 C ATOM 234 O ALA A 17 20.549 12.148 -15.831 1.00 25.00 O ATOM 235 CB ALA A 17 20.891 9.015 -16.321 1.00 25.00 C ATOM 0 H ALA A 17 20.536 8.211 -13.984 1.00 25.00 H new ATOM 0 HA ALA A 17 22.094 10.290 -14.973 1.00 25.00 H new ATOM 0 HB1 ALA A 17 21.041 9.605 -17.225 1.00 25.00 H new ATOM 0 HB2 ALA A 17 21.618 8.203 -16.293 1.00 25.00 H new ATOM 0 HB3 ALA A 17 19.883 8.600 -16.322 1.00 25.00 H new ATOM 241 N PHE A 18 18.925 10.972 -14.818 1.00 25.00 N ATOM 242 CA PHE A 18 18.021 12.080 -14.804 1.00 25.00 C ATOM 243 C PHE A 18 18.448 13.268 -13.960 1.00 25.00 C ATOM 244 O PHE A 18 18.288 14.409 -14.397 1.00 25.00 O ATOM 245 CB PHE A 18 16.690 11.554 -14.292 1.00 25.00 C ATOM 246 CG PHE A 18 15.555 12.599 -14.408 1.00 25.00 C ATOM 247 CD1 PHE A 18 15.173 13.443 -13.337 1.00 50.00 C ATOM 248 CD2 PHE A 18 14.875 12.625 -15.611 1.00 50.00 C ATOM 249 CE1 PHE A 18 14.321 14.477 -13.560 1.00 25.00 C ATOM 250 CE2 PHE A 18 13.825 13.622 -15.804 1.00 25.00 C ATOM 251 CZ PHE A 18 13.612 14.539 -14.798 1.00 25.00 C ATOM 0 H PHE A 18 18.542 10.100 -14.453 1.00 25.00 H new ATOM 0 HA PHE A 18 17.978 12.470 -15.821 1.00 25.00 H new ATOM 0 HB2 PHE A 18 16.416 10.661 -14.854 1.00 25.00 H new ATOM 0 HB3 PHE A 18 16.798 11.254 -13.250 1.00 25.00 H new ATOM 0 HD1 PHE A 18 15.559 13.265 -12.344 1.00 50.00 H new ATOM 0 HD2 PHE A 18 15.116 11.921 -16.394 1.00 50.00 H new ATOM 0 HE1 PHE A 18 14.182 15.242 -12.811 1.00 25.00 H new ATOM 0 HE2 PHE A 18 13.234 13.640 -16.708 1.00 25.00 H new ATOM 0 HZ PHE A 18 12.889 15.327 -14.950 1.00 25.00 H new ATOM 261 N GLY A 19 18.868 13.029 -12.737 1.00 25.00 N ATOM 262 CA GLY A 19 19.225 14.139 -11.824 1.00 25.00 C ATOM 263 C GLY A 19 20.488 14.824 -12.315 1.00 25.00 C ATOM 264 O GLY A 19 20.734 15.995 -12.021 1.00 25.00 O ATOM 0 H GLY A 19 18.976 12.096 -12.338 1.00 25.00 H new ATOM 0 HA2 GLY A 19 18.407 14.858 -11.773 1.00 25.00 H new ATOM 0 HA3 GLY A 19 19.377 13.757 -10.814 1.00 25.00 H new ATOM 268 N PHE A 20 21.285 13.978 -12.971 1.00 25.00 N ATOM 269 CA PHE A 20 22.354 14.324 -13.937 1.00 25.00 C ATOM 270 C PHE A 20 23.495 13.293 -13.835 1.00 25.00 C ATOM 271 O PHE A 20 23.794 12.587 -14.782 1.00 25.00 O ATOM 272 CB PHE A 20 22.958 15.740 -13.770 1.00 25.00 C ATOM 273 CG PHE A 20 24.162 15.996 -14.702 1.00 25.00 C ATOM 274 CD1 PHE A 20 24.013 16.108 -16.058 1.00 50.00 C ATOM 275 CD2 PHE A 20 25.442 16.021 -14.166 1.00 50.00 C ATOM 276 CE1 PHE A 20 25.153 16.402 -16.895 1.00 25.00 C ATOM 277 CE2 PHE A 20 26.599 16.283 -14.961 1.00 25.00 C ATOM 278 CZ PHE A 20 26.462 16.510 -16.322 1.00 25.00 C ATOM 0 H PHE A 20 21.204 12.970 -12.841 1.00 25.00 H new ATOM 0 HA PHE A 20 21.870 14.310 -14.914 1.00 25.00 H new ATOM 0 HB2 PHE A 20 22.187 16.484 -13.969 1.00 25.00 H new ATOM 0 HB3 PHE A 20 23.272 15.876 -12.735 1.00 25.00 H new ATOM 0 HD1 PHE A 20 23.038 15.976 -16.504 1.00 50.00 H new ATOM 0 HD2 PHE A 20 25.568 15.836 -13.109 1.00 50.00 H new ATOM 0 HE1 PHE A 20 25.018 16.541 -17.957 1.00 25.00 H new ATOM 0 HE2 PHE A 20 27.577 16.304 -14.504 1.00 25.00 H new ATOM 0 HZ PHE A 20 27.317 16.761 -16.932 1.00 25.00 H new ATOM 288 N LEU A 21 24.032 13.158 -12.639 1.00 25.00 N ATOM 289 CA LEU A 21 24.828 12.022 -12.179 1.00 25.00 C ATOM 290 C LEU A 21 24.356 11.223 -11.029 1.00 25.00 C ATOM 291 O LEU A 21 24.841 10.105 -10.754 1.00 25.00 O ATOM 292 CB LEU A 21 26.272 12.508 -11.866 1.00 25.00 C ATOM 293 CG LEU A 21 27.112 12.949 -13.092 1.00 25.00 C ATOM 294 CD1 LEU A 21 28.337 13.768 -12.661 1.00 50.00 C ATOM 295 CD2 LEU A 21 27.608 11.760 -13.957 1.00 50.00 C ATOM 0 H LEU A 21 23.923 13.872 -11.919 1.00 25.00 H new ATOM 0 HA LEU A 21 24.747 11.330 -13.017 1.00 25.00 H new ATOM 0 HB2 LEU A 21 26.211 13.345 -11.170 1.00 25.00 H new ATOM 0 HB3 LEU A 21 26.803 11.705 -11.354 1.00 25.00 H new ATOM 0 HG LEU A 21 26.437 13.556 -13.695 1.00 25.00 H new ATOM 0 HD11 LEU A 21 28.906 14.063 -13.543 1.00 50.00 H new ATOM 0 HD12 LEU A 21 28.009 14.659 -12.126 1.00 50.00 H new ATOM 0 HD13 LEU A 21 28.967 13.164 -12.008 1.00 50.00 H new ATOM 0 HD21 LEU A 21 28.189 12.139 -14.798 1.00 50.00 H new ATOM 0 HD22 LEU A 21 28.233 11.104 -13.350 1.00 50.00 H new ATOM 0 HD23 LEU A 21 26.751 11.200 -14.331 1.00 50.00 H new ATOM 307 N ASN A 22 23.453 11.840 -10.215 1.00 25.00 N ATOM 308 CA ASN A 22 23.066 11.297 -8.873 1.00 25.00 C ATOM 309 C ASN A 22 21.583 11.590 -8.721 1.00 25.00 C ATOM 310 O ASN A 22 21.124 12.504 -9.356 1.00 25.00 O ATOM 311 CB ASN A 22 23.922 12.042 -7.763 1.00 25.00 C ATOM 312 CG ASN A 22 25.440 12.054 -7.978 1.00 25.00 C ATOM 313 OD1 ASN A 22 26.084 11.050 -7.954 1.00 25.00 O ATOM 314 ND2 ASN A 22 26.019 13.228 -8.136 1.00 25.00 N ATOM 0 H ASN A 22 22.980 12.710 -10.460 1.00 25.00 H new ATOM 0 HA ASN A 22 23.252 10.228 -8.773 1.00 25.00 H new ATOM 0 HB2 ASN A 22 23.576 13.074 -7.698 1.00 25.00 H new ATOM 0 HB3 ASN A 22 23.715 11.575 -6.800 1.00 25.00 H new ATOM 0 HD21 ASN A 22 27.032 13.287 -8.240 1.00 25.00 H new ATOM 0 HD22 ASN A 22 25.454 14.077 -8.154 1.00 25.00 H new ATOM 321 N LEU A 23 20.848 10.771 -7.981 1.00 25.00 N ATOM 322 CA LEU A 23 19.378 10.846 -8.054 1.00 25.00 C ATOM 323 C LEU A 23 18.853 12.005 -7.235 1.00 25.00 C ATOM 324 O LEU A 23 19.461 12.439 -6.288 1.00 25.00 O ATOM 325 CB LEU A 23 18.752 9.445 -7.821 1.00 25.00 C ATOM 326 CG LEU A 23 18.689 8.861 -6.386 1.00 25.00 C ATOM 327 CD1 LEU A 23 17.630 7.848 -6.227 1.00 50.00 C ATOM 328 CD2 LEU A 23 20.019 8.298 -5.904 1.00 50.00 C ATOM 0 H LEU A 23 21.219 10.068 -7.342 1.00 25.00 H new ATOM 0 HA LEU A 23 19.043 11.101 -9.059 1.00 25.00 H new ATOM 0 HB2 LEU A 23 17.732 9.476 -8.205 1.00 25.00 H new ATOM 0 HB3 LEU A 23 19.303 8.735 -8.438 1.00 25.00 H new ATOM 0 HG LEU A 23 18.443 9.716 -5.756 1.00 25.00 H new ATOM 0 HD11 LEU A 23 17.634 7.475 -5.203 1.00 50.00 H new ATOM 0 HD12 LEU A 23 16.661 8.297 -6.446 1.00 50.00 H new ATOM 0 HD13 LEU A 23 17.811 7.022 -6.915 1.00 50.00 H new ATOM 0 HD21 LEU A 23 19.903 7.906 -4.893 1.00 50.00 H new ATOM 0 HD22 LEU A 23 20.337 7.496 -6.570 1.00 50.00 H new ATOM 0 HD23 LEU A 23 20.770 9.088 -5.903 1.00 50.00 H new ATOM 340 N ASN A 24 17.672 12.468 -7.604 1.00 25.00 N ATOM 341 CA ASN A 24 16.998 13.588 -6.912 1.00 25.00 C ATOM 342 C ASN A 24 15.554 13.044 -6.847 1.00 25.00 C ATOM 343 O ASN A 24 14.629 13.572 -7.494 1.00 25.00 O ATOM 344 CB ASN A 24 17.141 14.820 -7.791 1.00 25.00 C ATOM 345 CG ASN A 24 16.643 16.078 -7.107 1.00 25.00 C ATOM 346 OD1 ASN A 24 17.438 16.852 -6.531 1.00 25.00 O ATOM 347 ND2 ASN A 24 15.414 16.467 -7.296 1.00 25.00 N ATOM 0 H ASN A 24 17.142 12.089 -8.389 1.00 25.00 H new ATOM 0 HA ASN A 24 17.374 13.880 -5.932 1.00 25.00 H new ATOM 0 HB2 ASN A 24 18.188 14.948 -8.064 1.00 25.00 H new ATOM 0 HB3 ASN A 24 16.586 14.669 -8.717 1.00 25.00 H new ATOM 0 HD21 ASN A 24 15.116 17.388 -6.976 1.00 25.00 H new ATOM 0 HD22 ASN A 24 14.750 15.850 -7.764 1.00 25.00 H new ATOM 354 N CYS A 25 15.484 11.946 -6.078 1.00 25.00 N ATOM 355 CA CYS A 25 14.284 11.227 -5.771 1.00 25.00 C ATOM 356 C CYS A 25 14.409 10.504 -4.440 1.00 25.00 C ATOM 357 O CYS A 25 13.573 10.646 -3.540 1.00 25.00 O ATOM 358 CB CYS A 25 13.993 10.321 -6.964 1.00 25.00 C ATOM 359 SG CYS A 25 12.732 9.000 -6.810 1.00 25.00 S ATOM 0 H CYS A 25 16.311 11.535 -5.645 1.00 25.00 H new ATOM 0 HA CYS A 25 13.431 11.891 -5.630 1.00 25.00 H new ATOM 0 HB2 CYS A 25 13.695 10.961 -7.795 1.00 25.00 H new ATOM 0 HB3 CYS A 25 14.931 9.845 -7.249 1.00 25.00 H new ATOM 364 N GLY A 26 15.404 9.631 -4.377 1.00 25.00 N ATOM 365 CA GLY A 26 15.902 8.963 -3.206 1.00 25.00 C ATOM 366 C GLY A 26 15.152 7.722 -2.736 1.00 25.00 C ATOM 367 O GLY A 26 15.469 6.613 -3.154 1.00 25.00 O ATOM 0 H GLY A 26 15.917 9.357 -5.215 1.00 25.00 H new ATOM 0 HA2 GLY A 26 16.938 8.680 -3.394 1.00 25.00 H new ATOM 0 HA3 GLY A 26 15.912 9.682 -2.386 1.00 25.00 H new ATOM 371 N SER A 27 14.006 7.948 -2.090 1.00 25.00 N ATOM 372 CA SER A 27 13.273 6.802 -1.464 1.00 25.00 C ATOM 373 C SER A 27 11.901 6.455 -2.006 1.00 25.00 C ATOM 374 O SER A 27 11.312 5.520 -1.579 1.00 25.00 O ATOM 375 CB SER A 27 13.057 7.146 -0.022 1.00 25.00 C ATOM 376 OG SER A 27 14.275 7.441 0.651 1.00 25.00 O ATOM 0 H SER A 27 13.567 8.862 -1.979 1.00 25.00 H new ATOM 0 HA SER A 27 13.904 5.939 -1.675 1.00 25.00 H new ATOM 0 HB2 SER A 27 12.389 8.004 0.048 1.00 25.00 H new ATOM 0 HB3 SER A 27 12.561 6.314 0.477 1.00 25.00 H new ATOM 0 HG SER A 27 14.086 7.661 1.587 1.00 25.00 H new ATOM 382 N VAL A 28 11.438 7.264 -2.976 1.00 25.00 N ATOM 383 CA VAL A 28 10.076 7.055 -3.469 1.00 25.00 C ATOM 384 C VAL A 28 9.862 5.654 -4.029 1.00 25.00 C ATOM 385 O VAL A 28 8.948 4.959 -3.742 1.00 25.00 O ATOM 386 CB VAL A 28 9.725 8.152 -4.586 1.00 25.00 C ATOM 387 CG1 VAL A 28 8.178 8.148 -4.789 1.00 50.00 C ATOM 388 CG2 VAL A 28 10.238 9.531 -4.242 1.00 50.00 C ATOM 0 H VAL A 28 11.957 8.027 -3.411 1.00 25.00 H new ATOM 0 HA VAL A 28 9.406 7.164 -2.616 1.00 25.00 H new ATOM 0 HB VAL A 28 10.232 7.887 -5.514 1.00 25.00 H new ATOM 0 HG11 VAL A 28 7.908 8.886 -5.545 1.00 50.00 H new ATOM 0 HG12 VAL A 28 7.857 7.159 -5.116 1.00 50.00 H new ATOM 0 HG13 VAL A 28 7.687 8.396 -3.848 1.00 50.00 H new ATOM 0 HG21 VAL A 28 9.969 10.228 -5.036 1.00 50.00 H new ATOM 0 HG22 VAL A 28 9.793 9.861 -3.303 1.00 50.00 H new ATOM 0 HG23 VAL A 28 11.323 9.500 -4.138 1.00 50.00 H new ATOM 398 N MET A 29 10.851 5.257 -4.834 1.00 25.00 N ATOM 399 CA MET A 29 10.896 3.907 -5.391 1.00 25.00 C ATOM 400 C MET A 29 11.170 2.699 -4.540 1.00 25.00 C ATOM 401 O MET A 29 11.188 1.574 -5.014 1.00 25.00 O ATOM 402 CB MET A 29 12.014 3.903 -6.444 1.00 25.00 C ATOM 403 CG MET A 29 13.457 4.187 -5.920 1.00 25.00 C ATOM 404 SD MET A 29 14.601 3.742 -7.167 1.00 25.00 S ATOM 405 CE MET A 29 16.112 4.383 -6.301 1.00 25.00 C ATOM 0 H MET A 29 11.630 5.853 -5.113 1.00 25.00 H new ATOM 0 HA MET A 29 9.860 3.768 -5.700 1.00 25.00 H new ATOM 0 HB2 MET A 29 12.014 2.932 -6.939 1.00 25.00 H new ATOM 0 HB3 MET A 29 11.773 4.648 -7.203 1.00 25.00 H new ATOM 0 HG2 MET A 29 13.566 5.241 -5.665 1.00 25.00 H new ATOM 0 HG3 MET A 29 13.648 3.618 -5.010 1.00 25.00 H new ATOM 0 HE1 MET A 29 16.990 4.206 -6.922 1.00 25.00 H new ATOM 0 HE2 MET A 29 16.003 5.453 -6.123 1.00 25.00 H new ATOM 0 HE3 MET A 29 16.232 3.867 -5.348 1.00 25.00 H new ATOM 415 N TYR A 30 11.435 2.927 -3.235 1.00 25.00 N ATOM 416 CA TYR A 30 11.827 1.796 -2.374 1.00 25.00 C ATOM 417 C TYR A 30 10.562 0.956 -2.083 1.00 25.00 C ATOM 418 O TYR A 30 10.427 -0.226 -2.362 1.00 25.00 O ATOM 419 CB TYR A 30 12.426 2.311 -1.024 1.00 25.00 C ATOM 420 CG TYR A 30 12.803 1.224 -0.158 1.00 25.00 C ATOM 421 CD1 TYR A 30 13.974 0.484 -0.434 1.00 50.00 C ATOM 422 CD2 TYR A 30 11.991 0.847 0.975 1.00 50.00 C ATOM 423 CE1 TYR A 30 14.338 -0.618 0.417 1.00 25.00 C ATOM 424 CE2 TYR A 30 12.317 -0.310 1.739 1.00 25.00 C ATOM 425 CZ TYR A 30 13.475 -0.957 1.458 1.00 25.00 C ATOM 426 OH TYR A 30 13.891 -2.000 2.288 1.00 25.00 O ATOM 0 H TYR A 30 11.388 3.836 -2.775 1.00 25.00 H new ATOM 0 HA TYR A 30 12.585 1.198 -2.879 1.00 25.00 H new ATOM 0 HB2 TYR A 30 13.298 2.933 -1.227 1.00 25.00 H new ATOM 0 HB3 TYR A 30 11.695 2.942 -0.519 1.00 25.00 H new ATOM 0 HD1 TYR A 30 14.593 0.744 -1.280 1.00 50.00 H new ATOM 0 HD2 TYR A 30 11.133 1.445 1.244 1.00 50.00 H new ATOM 0 HE1 TYR A 30 15.254 -1.167 0.254 1.00 25.00 H new ATOM 0 HE2 TYR A 30 11.660 -0.662 2.520 1.00 25.00 H new ATOM 0 HH TYR A 30 13.217 -2.155 2.982 1.00 25.00 H new ATOM 436 N GLU A 31 9.529 1.695 -1.638 1.00 25.00 N ATOM 437 CA GLU A 31 8.108 1.192 -1.532 1.00 25.00 C ATOM 438 C GLU A 31 7.231 2.255 -2.186 1.00 25.00 C ATOM 439 O GLU A 31 6.647 3.086 -1.474 1.00 25.00 O ATOM 440 CB GLU A 31 7.789 0.939 -0.057 1.00 25.00 C ATOM 441 CG GLU A 31 8.504 -0.230 0.628 1.00 25.00 C ATOM 442 CD GLU A 31 8.193 -1.559 -0.080 1.00 25.00 C ATOM 443 OE1 GLU A 31 7.174 -1.663 -0.761 1.00 25.00 O ATOM 444 OE2 GLU A 31 9.056 -2.444 -0.060 1.00 25.00 O1- ATOM 0 H GLU A 31 9.636 2.663 -1.336 1.00 25.00 H new ATOM 0 HA GLU A 31 7.936 0.244 -2.042 1.00 25.00 H new ATOM 0 HB2 GLU A 31 8.021 1.848 0.498 1.00 25.00 H new ATOM 0 HB3 GLU A 31 6.715 0.776 0.032 1.00 25.00 H new ATOM 0 HG2 GLU A 31 9.580 -0.055 0.624 1.00 25.00 H new ATOM 0 HG3 GLU A 31 8.194 -0.289 1.671 1.00 25.00 H new ATOM 451 N PRO A 32 7.112 2.229 -3.512 1.00 25.00 N ATOM 452 CA PRO A 32 6.232 3.247 -4.107 1.00 25.00 C ATOM 453 C PRO A 32 4.779 3.184 -3.707 1.00 25.00 C ATOM 454 O PRO A 32 4.031 4.132 -3.869 1.00 25.00 O ATOM 455 CB PRO A 32 6.503 3.032 -5.580 1.00 25.00 C ATOM 456 CG PRO A 32 6.868 1.598 -5.732 1.00 25.00 C ATOM 457 CD PRO A 32 7.737 1.370 -4.539 1.00 25.00 C ATOM 0 HA PRO A 32 6.447 4.257 -3.757 1.00 25.00 H new ATOM 0 HB2 PRO A 32 5.624 3.275 -6.177 1.00 25.00 H new ATOM 0 HB3 PRO A 32 7.311 3.678 -5.925 1.00 25.00 H new ATOM 0 HG2 PRO A 32 5.991 0.951 -5.727 1.00 25.00 H new ATOM 0 HG3 PRO A 32 7.398 1.409 -6.665 1.00 25.00 H new ATOM 0 HD2 PRO A 32 7.746 0.322 -4.239 1.00 25.00 H new ATOM 0 HD3 PRO A 32 8.771 1.656 -4.731 1.00 25.00 H new ATOM 465 N GLN A 33 4.374 2.055 -3.160 1.00 25.00 N ATOM 466 CA GLN A 33 3.029 1.885 -2.609 1.00 25.00 C ATOM 467 C GLN A 33 2.960 1.860 -1.101 1.00 25.00 C ATOM 468 O GLN A 33 2.293 2.654 -0.479 1.00 25.00 O ATOM 469 CB GLN A 33 2.337 0.617 -3.146 1.00 25.00 C ATOM 470 CG GLN A 33 0.758 0.540 -2.788 1.00 25.00 C ATOM 471 CD GLN A 33 -0.066 -0.489 -3.547 1.00 25.00 C ATOM 472 OE1 GLN A 33 -0.776 -0.120 -4.536 1.00 25.00 O ATOM 473 NE2 GLN A 33 -0.018 -1.732 -3.145 1.00 25.00 N ATOM 0 H GLN A 33 4.962 1.225 -3.081 1.00 25.00 H new ATOM 0 HA GLN A 33 2.505 2.779 -2.947 1.00 25.00 H new ATOM 0 HB2 GLN A 33 2.458 0.578 -4.229 1.00 25.00 H new ATOM 0 HB3 GLN A 33 2.837 -0.261 -2.737 1.00 25.00 H new ATOM 0 HG2 GLN A 33 0.661 0.334 -1.722 1.00 25.00 H new ATOM 0 HG3 GLN A 33 0.321 1.523 -2.964 1.00 25.00 H new ATOM 0 HE21 GLN A 33 0.564 -1.988 -2.347 1.00 25.00 H new ATOM 0 HE22 GLN A 33 -0.562 -2.446 -3.629 1.00 25.00 H new ATOM 482 N SER A 34 3.731 1.053 -0.444 1.00 25.00 N ATOM 483 CA SER A 34 3.728 0.903 1.029 1.00 25.00 C ATOM 484 C SER A 34 4.597 1.941 1.762 1.00 25.00 C ATOM 485 O SER A 34 5.409 1.621 2.674 1.00 25.00 O ATOM 486 CB SER A 34 4.186 -0.473 1.411 1.00 25.00 C ATOM 487 OG SER A 34 4.098 -0.730 2.806 1.00 25.00 O ATOM 0 H SER A 34 4.411 0.449 -0.905 1.00 25.00 H new ATOM 0 HA SER A 34 2.697 1.071 1.341 1.00 25.00 H new ATOM 0 HB2 SER A 34 3.587 -1.209 0.875 1.00 25.00 H new ATOM 0 HB3 SER A 34 5.219 -0.607 1.089 1.00 25.00 H new ATOM 0 HG SER A 34 4.660 -0.092 3.292 1.00 25.00 H new ATOM 493 N LEU A 35 4.462 3.179 1.372 1.00 25.00 N ATOM 494 CA LEU A 35 5.098 4.298 2.058 1.00 25.00 C ATOM 495 C LEU A 35 4.350 4.435 3.406 1.00 25.00 C ATOM 496 O LEU A 35 3.166 4.429 3.535 1.00 25.00 O ATOM 497 CB LEU A 35 5.046 5.618 1.175 1.00 25.00 C ATOM 498 CG LEU A 35 5.561 6.917 1.801 1.00 25.00 C ATOM 499 CD1 LEU A 35 6.818 7.413 1.100 1.00 50.00 C ATOM 500 CD2 LEU A 35 4.478 8.010 1.848 1.00 50.00 C ATOM 0 H LEU A 35 3.905 3.454 0.563 1.00 25.00 H new ATOM 0 HA LEU A 35 6.161 4.128 2.231 1.00 25.00 H new ATOM 0 HB2 LEU A 35 5.618 5.435 0.265 1.00 25.00 H new ATOM 0 HB3 LEU A 35 4.011 5.779 0.874 1.00 25.00 H new ATOM 0 HG LEU A 35 5.825 6.686 2.833 1.00 25.00 H new ATOM 0 HD11 LEU A 35 7.156 8.337 1.570 1.00 50.00 H new ATOM 0 HD12 LEU A 35 7.600 6.658 1.179 1.00 50.00 H new ATOM 0 HD13 LEU A 35 6.599 7.600 0.049 1.00 50.00 H new ATOM 0 HD21 LEU A 35 4.891 8.912 2.300 1.00 50.00 H new ATOM 0 HD22 LEU A 35 4.142 8.233 0.835 1.00 50.00 H new ATOM 0 HD23 LEU A 35 3.634 7.660 2.442 1.00 50.00 H new ATOM 512 N GLU A 36 5.151 4.491 4.447 1.00 25.00 N ATOM 513 CA GLU A 36 4.641 4.793 5.745 1.00 25.00 C ATOM 514 C GLU A 36 5.282 6.152 6.216 1.00 25.00 C ATOM 515 O GLU A 36 6.457 6.394 5.931 1.00 25.00 O ATOM 516 CB GLU A 36 5.133 3.777 6.765 1.00 25.00 C ATOM 517 CG GLU A 36 4.785 2.330 6.462 1.00 25.00 C ATOM 518 CD GLU A 36 5.721 1.431 7.328 1.00 25.00 C ATOM 519 OE1 GLU A 36 6.947 1.417 7.122 1.00 25.00 O ATOM 520 OE2 GLU A 36 5.243 0.727 8.242 1.00 25.00 O1- ATOM 0 H GLU A 36 6.157 4.330 4.409 1.00 25.00 H new ATOM 0 HA GLU A 36 3.553 4.809 5.685 1.00 25.00 H new ATOM 0 HB2 GLU A 36 6.217 3.863 6.845 1.00 25.00 H new ATOM 0 HB3 GLU A 36 4.719 4.036 7.740 1.00 25.00 H new ATOM 0 HG2 GLU A 36 3.739 2.130 6.695 1.00 25.00 H new ATOM 0 HG3 GLU A 36 4.922 2.117 5.402 1.00 25.00 H new ATOM 527 N ALA A 37 4.513 6.958 6.983 1.00 25.00 N ATOM 528 CA ALA A 37 4.974 8.220 7.455 1.00 25.00 C ATOM 529 C ALA A 37 4.328 8.645 8.768 1.00 25.00 C ATOM 530 O ALA A 37 3.872 9.728 8.975 1.00 25.00 O ATOM 531 CB ALA A 37 4.718 9.283 6.412 1.00 25.00 C ATOM 0 H ALA A 37 3.564 6.725 7.274 1.00 25.00 H new ATOM 0 HA ALA A 37 6.042 8.108 7.641 1.00 25.00 H new ATOM 0 HB1 ALA A 37 5.073 10.246 6.779 1.00 25.00 H new ATOM 0 HB2 ALA A 37 5.247 9.027 5.494 1.00 25.00 H new ATOM 0 HB3 ALA A 37 3.649 9.344 6.209 1.00 25.00 H new ATOM 537 N LYS A 38 4.173 7.699 9.687 1.00 25.00 N ATOM 538 CA LYS A 38 3.531 8.028 10.974 1.00 25.00 C ATOM 539 C LYS A 38 4.155 7.297 12.149 1.00 25.00 C ATOM 540 O LYS A 38 4.794 7.916 12.975 1.00 25.00 O ATOM 541 CB LYS A 38 1.997 7.898 10.949 1.00 25.00 C ATOM 542 CG LYS A 38 1.309 9.117 11.582 1.00 25.00 C ATOM 543 CD LYS A 38 1.566 9.142 13.122 1.00 25.00 C ATOM 544 CE LYS A 38 0.653 10.195 13.725 1.00 25.00 C ATOM 545 NZ LYS A 38 1.063 11.606 13.301 1.00 25.00 N1+ ATOM 0 H LYS A 38 4.468 6.728 9.582 1.00 25.00 H new ATOM 0 HA LYS A 38 3.733 9.088 11.128 1.00 25.00 H new ATOM 0 HB2 LYS A 38 1.659 7.784 9.919 1.00 25.00 H new ATOM 0 HB3 LYS A 38 1.700 6.995 11.483 1.00 25.00 H new ATOM 0 HG2 LYS A 38 1.687 10.033 11.128 1.00 25.00 H new ATOM 0 HG3 LYS A 38 0.237 9.082 11.385 1.00 25.00 H new ATOM 0 HD2 LYS A 38 1.364 8.164 13.559 1.00 25.00 H new ATOM 0 HD3 LYS A 38 2.610 9.375 13.332 1.00 25.00 H new ATOM 0 HE2 LYS A 38 -0.375 10.006 13.416 1.00 25.00 H new ATOM 0 HE3 LYS A 38 0.678 10.120 14.812 1.00 25.00 H new ATOM 0 HZ1 LYS A 38 0.484 12.304 13.810 1.00 25.00 H new ATOM 0 HZ2 LYS A 38 2.067 11.759 13.527 1.00 25.00 H new ATOM 0 HZ3 LYS A 38 0.918 11.717 12.277 1.00 25.00 H new ATOM 559 N LYS A 39 3.863 6.014 12.231 1.00 25.00 N ATOM 560 CA LYS A 39 4.079 5.153 13.414 1.00 25.00 C ATOM 561 C LYS A 39 5.540 4.717 13.536 1.00 25.00 C ATOM 562 O LYS A 39 6.355 5.073 12.706 1.00 25.00 O ATOM 563 CB LYS A 39 3.153 3.897 13.447 1.00 25.00 C ATOM 564 CG LYS A 39 1.651 4.327 13.475 1.00 25.00 C ATOM 565 CD LYS A 39 0.817 3.088 13.506 1.00 25.00 C ATOM 566 CE LYS A 39 -0.657 3.455 13.463 1.00 25.00 C ATOM 567 NZ LYS A 39 -1.625 2.276 13.620 1.00 25.00 N1+ ATOM 0 H LYS A 39 3.450 5.505 11.449 1.00 25.00 H new ATOM 0 HA LYS A 39 3.815 5.774 14.270 1.00 25.00 H new ATOM 0 HB2 LYS A 39 3.343 3.274 12.573 1.00 25.00 H new ATOM 0 HB3 LYS A 39 3.381 3.292 14.325 1.00 25.00 H new ATOM 0 HG2 LYS A 39 1.448 4.945 14.349 1.00 25.00 H new ATOM 0 HG3 LYS A 39 1.410 4.927 12.597 1.00 25.00 H new ATOM 0 HD2 LYS A 39 1.067 2.450 12.658 1.00 25.00 H new ATOM 0 HD3 LYS A 39 1.032 2.517 14.409 1.00 25.00 H new ATOM 0 HE2 LYS A 39 -0.859 4.178 14.253 1.00 25.00 H new ATOM 0 HE3 LYS A 39 -0.864 3.952 12.515 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 -2.583 2.574 13.345 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 -1.318 1.491 13.010 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 -1.632 1.962 14.611 1.00 25.00 H new ATOM 581 N GLY A 40 5.826 3.973 14.624 1.00 25.00 N ATOM 582 CA GLY A 40 7.178 3.642 15.035 1.00 25.00 C ATOM 583 C GLY A 40 7.690 4.479 16.168 1.00 25.00 C ATOM 584 O GLY A 40 8.911 4.701 16.327 1.00 25.00 O ATOM 0 H GLY A 40 5.108 3.588 15.238 1.00 25.00 H new ATOM 0 HA2 GLY A 40 7.212 2.592 15.327 1.00 25.00 H new ATOM 0 HA3 GLY A 40 7.845 3.757 14.181 1.00 25.00 H new ATOM 588 N PHE A 41 6.778 4.941 16.980 1.00 25.00 N ATOM 589 CA PHE A 41 7.088 5.718 18.175 1.00 25.00 C ATOM 590 C PHE A 41 7.719 4.760 19.232 1.00 25.00 C ATOM 591 O PHE A 41 7.347 3.573 19.331 1.00 25.00 O ATOM 592 CB PHE A 41 5.826 6.385 18.701 1.00 25.00 C ATOM 593 CG PHE A 41 5.156 7.301 17.744 1.00 25.00 C ATOM 594 CD1 PHE A 41 4.091 6.869 17.009 1.00 25.00 C ATOM 595 CD2 PHE A 41 5.562 8.651 17.658 1.00 25.00 C ATOM 596 CE1 PHE A 41 3.371 7.745 16.196 1.00 25.00 C ATOM 597 CE2 PHE A 41 4.830 9.574 16.833 1.00 25.00 C ATOM 598 CZ PHE A 41 3.707 9.126 16.104 1.00 25.00 C ATOM 0 H PHE A 41 5.779 4.792 16.838 1.00 25.00 H new ATOM 0 HA PHE A 41 7.801 6.510 17.947 1.00 25.00 H new ATOM 0 HB2 PHE A 41 5.119 5.610 18.995 1.00 25.00 H new ATOM 0 HB3 PHE A 41 6.077 6.945 19.602 1.00 25.00 H new ATOM 0 HD1 PHE A 41 3.800 5.830 17.057 1.00 25.00 H new ATOM 0 HD2 PHE A 41 6.424 8.991 18.213 1.00 25.00 H new ATOM 0 HE1 PHE A 41 2.538 7.366 15.622 1.00 25.00 H new ATOM 0 HE2 PHE A 41 5.139 10.607 16.771 1.00 25.00 H new ATOM 0 HZ PHE A 41 3.124 9.805 15.499 1.00 25.00 H new ATOM 608 N PRO A 42 8.593 5.312 20.128 1.00 25.00 N ATOM 609 CA PRO A 42 9.299 6.625 20.117 1.00 25.00 C ATOM 610 C PRO A 42 10.351 6.691 19.007 1.00 25.00 C ATOM 611 O PRO A 42 11.104 5.723 18.743 1.00 25.00 O ATOM 612 CB PRO A 42 9.999 6.639 21.475 1.00 25.00 C ATOM 613 CG PRO A 42 10.267 5.144 21.859 1.00 25.00 C ATOM 614 CD PRO A 42 9.029 4.500 21.278 1.00 25.00 C ATOM 0 HA PRO A 42 8.621 7.461 19.944 1.00 25.00 H new ATOM 0 HB2 PRO A 42 10.933 7.199 21.423 1.00 25.00 H new ATOM 0 HB3 PRO A 42 9.377 7.126 22.226 1.00 25.00 H new ATOM 0 HG2 PRO A 42 11.185 4.758 21.416 1.00 25.00 H new ATOM 0 HG3 PRO A 42 10.347 4.998 22.936 1.00 25.00 H new ATOM 0 HD2 PRO A 42 9.242 3.478 20.965 1.00 25.00 H new ATOM 0 HD3 PRO A 42 8.240 4.446 22.028 1.00 25.00 H new ATOM 622 N HIS A 43 10.238 7.714 18.147 1.00 25.00 N ATOM 623 CA HIS A 43 11.146 7.813 16.965 1.00 25.00 C ATOM 624 C HIS A 43 12.551 8.195 17.378 1.00 25.00 C ATOM 625 O HIS A 43 13.469 7.938 16.579 1.00 25.00 O ATOM 626 CB HIS A 43 10.657 8.875 15.928 1.00 25.00 C ATOM 627 CG HIS A 43 9.465 8.448 15.138 1.00 25.00 C ATOM 628 ND1 HIS A 43 9.531 7.480 14.137 1.00 25.00 N ATOM 629 CD2 HIS A 43 8.109 8.700 15.251 1.00 25.00 C ATOM 630 CE1 HIS A 43 8.330 7.287 13.620 1.00 25.00 C ATOM 631 NE2 HIS A 43 7.475 8.038 14.210 1.00 25.00 N ATOM 0 H HIS A 43 9.555 8.467 18.230 1.00 25.00 H new ATOM 0 HA HIS A 43 11.137 6.824 16.507 1.00 25.00 H new ATOM 0 HB2 HIS A 43 10.419 9.799 16.455 1.00 25.00 H new ATOM 0 HB3 HIS A 43 11.473 9.100 15.242 1.00 25.00 H new ATOM 0 HD2 HIS A 43 7.632 9.302 16.010 1.00 25.00 H new ATOM 0 HE1 HIS A 43 8.103 6.599 12.819 1.00 25.00 H new ATOM 0 HE2 HIS A 43 6.492 8.133 13.956 1.00 25.00 H new ATOM 639 N SER A 44 12.741 8.765 18.601 1.00 25.00 N ATOM 640 CA SER A 44 14.010 9.113 19.245 1.00 25.00 C ATOM 641 C SER A 44 14.745 10.349 18.682 1.00 25.00 C ATOM 642 O SER A 44 15.231 11.156 19.448 1.00 25.00 O ATOM 643 CB SER A 44 14.951 7.887 19.271 1.00 25.00 C ATOM 644 OG SER A 44 14.283 6.662 19.465 1.00 25.00 O ATOM 0 H SER A 44 11.946 9.004 19.193 1.00 25.00 H new ATOM 0 HA SER A 44 13.729 9.409 20.256 1.00 25.00 H new ATOM 0 HB2 SER A 44 15.503 7.844 18.332 1.00 25.00 H new ATOM 0 HB3 SER A 44 15.684 8.020 20.066 1.00 25.00 H new ATOM 0 HG SER A 44 14.935 5.931 19.469 1.00 25.00 H new ATOM 650 N GLY A 45 14.800 10.385 17.350 1.00 25.00 N ATOM 651 CA GLY A 45 15.197 11.561 16.603 1.00 25.00 C ATOM 652 C GLY A 45 14.134 12.655 16.668 1.00 25.00 C ATOM 653 O GLY A 45 13.164 12.392 17.369 1.00 25.00 O ATOM 0 H GLY A 45 14.566 9.586 16.761 1.00 25.00 H new ATOM 0 HA2 GLY A 45 16.138 11.943 16.999 1.00 25.00 H new ATOM 0 HA3 GLY A 45 15.376 11.289 15.563 1.00 25.00 H new ATOM 657 N PRO A 46 14.273 13.808 16.038 1.00 25.00 N ATOM 658 CA PRO A 46 13.275 14.809 16.216 1.00 25.00 C ATOM 659 C PRO A 46 11.879 14.293 15.656 1.00 25.00 C ATOM 660 O PRO A 46 11.825 13.451 14.709 1.00 25.00 O ATOM 661 CB PRO A 46 13.780 15.971 15.396 1.00 25.00 C ATOM 662 CG PRO A 46 14.635 15.401 14.419 1.00 25.00 C ATOM 663 CD PRO A 46 15.299 14.228 15.074 1.00 25.00 C ATOM 0 HA PRO A 46 13.114 15.072 17.261 1.00 25.00 H new ATOM 0 HB2 PRO A 46 12.955 16.510 14.930 1.00 25.00 H new ATOM 0 HB3 PRO A 46 14.317 16.687 16.018 1.00 25.00 H new ATOM 0 HG2 PRO A 46 14.069 15.087 13.542 1.00 25.00 H new ATOM 0 HG3 PRO A 46 15.374 16.126 14.079 1.00 25.00 H new ATOM 0 HD2 PRO A 46 15.537 13.440 14.359 1.00 25.00 H new ATOM 0 HD3 PRO A 46 16.232 14.506 15.564 1.00 25.00 H new ATOM 671 N ALA A 47 10.799 14.781 16.284 1.00 25.00 N ATOM 672 CA ALA A 47 9.371 14.311 16.180 1.00 25.00 C ATOM 673 C ALA A 47 8.805 14.186 14.786 1.00 25.00 C ATOM 674 O ALA A 47 8.894 15.158 14.051 1.00 25.00 O ATOM 675 CB ALA A 47 8.444 15.282 17.029 1.00 25.00 C ATOM 0 H ALA A 47 10.884 15.569 16.927 1.00 25.00 H new ATOM 0 HA ALA A 47 9.384 13.292 16.568 1.00 25.00 H new ATOM 0 HB1 ALA A 47 7.408 14.949 16.959 1.00 25.00 H new ATOM 0 HB2 ALA A 47 8.761 15.267 18.072 1.00 25.00 H new ATOM 0 HB3 ALA A 47 8.526 16.297 16.639 1.00 25.00 H new ATOM 681 N ASP A 48 8.150 13.083 14.467 1.00 25.00 N ATOM 682 CA ASP A 48 7.765 12.778 13.082 1.00 25.00 C ATOM 683 C ASP A 48 6.765 13.746 12.511 1.00 25.00 C ATOM 684 O ASP A 48 5.658 13.857 13.093 1.00 25.00 O ATOM 685 CB ASP A 48 7.236 11.344 13.015 1.00 25.00 C ATOM 686 CG ASP A 48 6.681 11.047 11.646 1.00 25.00 C ATOM 687 OD1 ASP A 48 7.461 10.554 10.792 1.00 25.00 O ATOM 688 OD2 ASP A 48 5.479 11.236 11.429 1.00 25.00 O1- ATOM 0 H ASP A 48 7.868 12.375 15.145 1.00 25.00 H new ATOM 0 HA ASP A 48 8.657 12.881 12.464 1.00 25.00 H new ATOM 0 HB2 ASP A 48 8.038 10.644 13.248 1.00 25.00 H new ATOM 0 HB3 ASP A 48 6.460 11.201 13.767 1.00 25.00 H new ATOM 693 N GLY A 49 7.149 14.378 11.443 1.00 25.00 N ATOM 694 CA GLY A 49 6.287 15.337 10.788 1.00 25.00 C ATOM 695 C GLY A 49 6.281 16.726 11.315 1.00 25.00 C ATOM 696 O GLY A 49 5.773 17.604 10.579 1.00 25.00 O ATOM 0 H GLY A 49 8.058 14.251 10.998 1.00 25.00 H new ATOM 0 HA2 GLY A 49 6.568 15.378 9.736 1.00 25.00 H new ATOM 0 HA3 GLY A 49 5.266 14.956 10.831 1.00 25.00 H new ATOM 700 N GLN A 50 6.841 16.955 12.503 1.00 25.00 N ATOM 701 CA GLN A 50 6.901 18.197 13.302 1.00 25.00 C ATOM 702 C GLN A 50 5.592 18.975 13.327 1.00 25.00 C ATOM 703 O GLN A 50 5.518 20.191 13.060 1.00 25.00 O ATOM 704 CB GLN A 50 8.062 19.029 12.689 1.00 25.00 C ATOM 705 CG GLN A 50 8.878 19.807 13.674 1.00 25.00 C ATOM 706 CD GLN A 50 9.864 18.922 14.466 1.00 25.00 C ATOM 707 OE1 GLN A 50 10.829 18.424 13.905 1.00 25.00 O ATOM 708 NE2 GLN A 50 9.701 18.826 15.800 1.00 25.00 N ATOM 0 H GLN A 50 7.318 16.196 12.989 1.00 25.00 H new ATOM 0 HA GLN A 50 7.076 17.962 14.352 1.00 25.00 H new ATOM 0 HB2 GLN A 50 8.724 18.354 12.146 1.00 25.00 H new ATOM 0 HB3 GLN A 50 7.645 19.723 11.959 1.00 25.00 H new ATOM 0 HG2 GLN A 50 9.435 20.581 13.146 1.00 25.00 H new ATOM 0 HG3 GLN A 50 8.211 20.314 14.371 1.00 25.00 H new ATOM 0 HE21 GLN A 50 8.888 19.250 16.246 1.00 25.00 H new ATOM 0 HE22 GLN A 50 10.391 18.330 16.364 1.00 25.00 H new ATOM 717 N ILE A 51 4.520 18.203 13.436 1.00 25.00 N ATOM 718 CA ILE A 51 3.156 18.689 13.111 1.00 25.00 C ATOM 719 C ILE A 51 2.689 19.787 14.049 1.00 25.00 C ATOM 720 O ILE A 51 1.917 20.677 13.614 1.00 25.00 O ATOM 721 CB ILE A 51 2.146 17.433 13.101 1.00 25.00 C ATOM 722 CG1 ILE A 51 2.594 16.367 12.104 1.00 25.00 C ATOM 723 CG2 ILE A 51 0.661 17.843 13.004 1.00 25.00 C ATOM 724 CD1 ILE A 51 1.760 14.968 12.219 1.00 25.00 C ATOM 0 H ILE A 51 4.553 17.232 13.747 1.00 25.00 H new ATOM 0 HA ILE A 51 3.174 19.146 12.121 1.00 25.00 H new ATOM 0 HB ILE A 51 2.204 16.955 14.079 1.00 25.00 H new ATOM 0 HG12 ILE A 51 2.488 16.761 11.093 1.00 25.00 H new ATOM 0 HG13 ILE A 51 3.653 16.162 12.257 1.00 25.00 H new ATOM 0 HG21 ILE A 51 0.036 16.950 13.002 1.00 25.00 H new ATOM 0 HG22 ILE A 51 0.399 18.467 13.859 1.00 25.00 H new ATOM 0 HG23 ILE A 51 0.497 18.402 12.083 1.00 25.00 H new ATOM 0 HD11 ILE A 51 2.134 14.260 11.480 1.00 25.00 H new ATOM 0 HD12 ILE A 51 1.886 14.551 13.218 1.00 25.00 H new ATOM 0 HD13 ILE A 51 0.703 15.159 12.036 1.00 25.00 H new ATOM 736 N ALA A 52 3.131 19.832 15.289 1.00 25.00 N ATOM 737 CA ALA A 52 2.779 20.851 16.249 1.00 25.00 C ATOM 738 C ALA A 52 3.120 22.274 15.831 1.00 25.00 C ATOM 739 O ALA A 52 2.274 23.164 15.981 1.00 25.00 O ATOM 740 CB ALA A 52 3.352 20.531 17.648 1.00 25.00 C ATOM 0 H ALA A 52 3.769 19.132 15.667 1.00 25.00 H new ATOM 0 HA ALA A 52 1.690 20.822 16.294 1.00 25.00 H new ATOM 0 HB1 ALA A 52 3.068 21.318 18.346 1.00 25.00 H new ATOM 0 HB2 ALA A 52 2.954 19.577 17.995 1.00 25.00 H new ATOM 0 HB3 ALA A 52 4.439 20.471 17.591 1.00 25.00 H new ATOM 746 N SER A 53 4.332 22.585 15.355 1.00 25.00 N ATOM 747 CA SER A 53 4.651 23.961 15.061 1.00 25.00 C ATOM 748 C SER A 53 5.492 24.165 13.797 1.00 25.00 C ATOM 749 O SER A 53 5.721 25.273 13.347 1.00 25.00 O ATOM 750 CB SER A 53 5.520 24.504 16.238 1.00 25.00 C ATOM 751 OG SER A 53 6.692 23.751 16.240 1.00 25.00 O ATOM 0 H SER A 53 5.079 21.915 15.174 1.00 25.00 H new ATOM 0 HA SER A 53 3.698 24.470 14.918 1.00 25.00 H new ATOM 0 HB2 SER A 53 5.739 25.563 16.103 1.00 25.00 H new ATOM 0 HB3 SER A 53 4.993 24.406 17.187 1.00 25.00 H new ATOM 0 HG SER A 53 7.276 24.057 16.965 1.00 25.00 H new ATOM 757 N ALA A 54 5.996 23.057 13.241 1.00 25.00 N ATOM 758 CA ALA A 54 7.045 23.033 12.212 1.00 25.00 C ATOM 759 C ALA A 54 8.296 23.918 12.586 1.00 25.00 C ATOM 760 O ALA A 54 9.082 24.237 11.683 1.00 25.00 O ATOM 761 CB ALA A 54 6.428 23.391 10.815 1.00 25.00 C ATOM 0 H ALA A 54 5.676 22.124 13.502 1.00 25.00 H new ATOM 0 HA ALA A 54 7.440 22.019 12.153 1.00 25.00 H new ATOM 0 HB1 ALA A 54 7.210 23.372 10.056 1.00 25.00 H new ATOM 0 HB2 ALA A 54 5.657 22.663 10.560 1.00 25.00 H new ATOM 0 HB3 ALA A 54 5.987 24.387 10.856 1.00 25.00 H new ATOM 767 N GLY A 55 8.577 24.156 13.855 1.00 25.00 N ATOM 768 CA GLY A 55 9.764 24.902 14.247 1.00 25.00 C ATOM 769 C GLY A 55 11.044 24.139 13.988 1.00 25.00 C ATOM 770 O GLY A 55 12.114 24.726 13.787 1.00 25.00 O ATOM 0 H GLY A 55 7.999 23.843 14.635 1.00 25.00 H new ATOM 0 HA2 GLY A 55 9.792 25.846 13.702 1.00 25.00 H new ATOM 0 HA3 GLY A 55 9.700 25.148 15.307 1.00 25.00 H new ATOM 774 N GLY A 56 11.007 22.832 14.040 1.00 25.00 N ATOM 775 CA GLY A 56 12.100 21.961 13.635 1.00 25.00 C ATOM 776 C GLY A 56 12.333 22.013 12.123 1.00 25.00 C ATOM 777 O GLY A 56 13.383 21.534 11.611 1.00 25.00 O ATOM 0 H GLY A 56 10.191 22.320 14.376 1.00 25.00 H new ATOM 0 HA2 GLY A 56 13.012 22.256 14.154 1.00 25.00 H new ATOM 0 HA3 GLY A 56 11.879 20.936 13.934 1.00 25.00 H new ATOM 781 N LEU A 57 11.380 22.524 11.356 1.00 25.00 N ATOM 782 CA LEU A 57 11.448 22.585 9.908 1.00 25.00 C ATOM 783 C LEU A 57 11.536 23.932 9.253 1.00 25.00 C ATOM 784 O LEU A 57 11.040 24.160 8.156 1.00 25.00 O ATOM 785 CB LEU A 57 10.168 21.934 9.311 1.00 25.00 C ATOM 786 CG LEU A 57 9.496 20.628 9.728 1.00 25.00 C ATOM 787 CD1 LEU A 57 8.445 20.207 8.694 1.00 50.00 C ATOM 788 CD2 LEU A 57 10.473 19.469 9.952 1.00 50.00 C ATOM 0 H LEU A 57 10.518 22.916 11.736 1.00 25.00 H new ATOM 0 HA LEU A 57 12.390 22.077 9.702 1.00 25.00 H new ATOM 0 HB2 LEU A 57 9.393 22.695 9.403 1.00 25.00 H new ATOM 0 HB3 LEU A 57 10.377 21.819 8.247 1.00 25.00 H new ATOM 0 HG LEU A 57 9.026 20.838 10.689 1.00 25.00 H new ATOM 0 HD11 LEU A 57 7.978 19.274 9.009 1.00 50.00 H new ATOM 0 HD12 LEU A 57 7.685 20.984 8.611 1.00 50.00 H new ATOM 0 HD13 LEU A 57 8.924 20.063 7.726 1.00 50.00 H new ATOM 0 HD21 LEU A 57 9.919 18.578 10.246 1.00 50.00 H new ATOM 0 HD22 LEU A 57 11.019 19.270 9.030 1.00 50.00 H new ATOM 0 HD23 LEU A 57 11.177 19.734 10.740 1.00 50.00 H new ATOM 800 N PHE A 58 12.438 24.791 9.738 1.00 25.00 N ATOM 801 CA PHE A 58 13.119 25.802 8.865 1.00 25.00 C ATOM 802 C PHE A 58 14.049 24.929 8.017 1.00 25.00 C ATOM 803 O PHE A 58 14.396 25.217 6.869 1.00 25.00 O ATOM 804 CB PHE A 58 13.835 26.832 9.707 1.00 25.00 C ATOM 805 CG PHE A 58 12.898 27.684 10.474 1.00 25.00 C ATOM 806 CD1 PHE A 58 12.743 27.484 11.854 1.00 50.00 C ATOM 807 CD2 PHE A 58 12.140 28.740 9.869 1.00 50.00 C ATOM 808 CE1 PHE A 58 11.985 28.338 12.649 1.00 25.00 C ATOM 809 CE2 PHE A 58 11.301 29.563 10.640 1.00 25.00 C ATOM 810 CZ PHE A 58 11.254 29.436 12.057 1.00 25.00 C ATOM 0 H PHE A 58 12.724 24.822 10.717 1.00 25.00 H new ATOM 0 HA PHE A 58 12.453 26.400 8.243 1.00 25.00 H new ATOM 0 HB2 PHE A 58 14.511 26.327 10.397 1.00 25.00 H new ATOM 0 HB3 PHE A 58 14.449 27.461 9.063 1.00 25.00 H new ATOM 0 HD1 PHE A 58 13.229 26.637 12.316 1.00 50.00 H new ATOM 0 HD2 PHE A 58 12.215 28.906 8.804 1.00 50.00 H new ATOM 0 HE1 PHE A 58 11.942 28.179 13.716 1.00 25.00 H new ATOM 0 HE2 PHE A 58 10.684 30.302 10.151 1.00 25.00 H new ATOM 0 HZ PHE A 58 10.695 30.132 12.665 1.00 25.00 H new ATOM 820 N GLY A 59 14.434 23.768 8.558 1.00 25.00 N ATOM 821 CA GLY A 59 15.222 22.779 7.803 1.00 25.00 C ATOM 822 C GLY A 59 14.347 22.192 6.681 1.00 25.00 C ATOM 823 O GLY A 59 14.878 21.635 5.704 1.00 25.00 O ATOM 0 H GLY A 59 14.215 23.487 9.514 1.00 25.00 H new ATOM 0 HA2 GLY A 59 16.110 23.249 7.381 1.00 25.00 H new ATOM 0 HA3 GLY A 59 15.566 21.986 8.467 1.00 25.00 H new ATOM 827 N GLY A 60 13.050 22.368 6.775 1.00 25.00 N ATOM 828 CA GLY A 60 12.148 21.848 5.708 1.00 25.00 C ATOM 829 C GLY A 60 12.202 22.614 4.447 1.00 25.00 C ATOM 830 O GLY A 60 11.970 22.063 3.386 1.00 25.00 O ATOM 0 H GLY A 60 12.582 22.848 7.543 1.00 25.00 H new ATOM 0 HA2 GLY A 60 12.408 20.810 5.501 1.00 25.00 H new ATOM 0 HA3 GLY A 60 11.123 21.852 6.080 1.00 25.00 H new ATOM 834 N ILE A 61 12.615 23.871 4.534 1.00 25.00 N ATOM 835 CA ILE A 61 13.003 24.565 3.231 1.00 25.00 C ATOM 836 C ILE A 61 14.334 23.929 2.671 1.00 25.00 C ATOM 837 O ILE A 61 14.474 23.677 1.456 1.00 25.00 O ATOM 838 CB ILE A 61 13.184 26.140 3.468 1.00 25.00 C ATOM 839 CG1 ILE A 61 11.924 26.617 4.235 1.00 25.00 C ATOM 840 CG2 ILE A 61 13.388 26.885 2.092 1.00 25.00 C ATOM 841 CD1 ILE A 61 11.825 28.104 4.550 1.00 25.00 C ATOM 0 H ILE A 61 12.699 24.422 5.388 1.00 25.00 H new ATOM 0 HA ILE A 61 12.208 24.424 2.499 1.00 25.00 H new ATOM 0 HB ILE A 61 14.074 26.367 4.055 1.00 25.00 H new ATOM 0 HG12 ILE A 61 11.047 26.335 3.653 1.00 25.00 H new ATOM 0 HG13 ILE A 61 11.872 26.068 5.175 1.00 25.00 H new ATOM 0 HG21 ILE A 61 13.509 27.953 2.271 1.00 25.00 H new ATOM 0 HG22 ILE A 61 14.278 26.497 1.597 1.00 25.00 H new ATOM 0 HG23 ILE A 61 12.518 26.720 1.457 1.00 25.00 H new ATOM 0 HD11 ILE A 61 10.897 28.301 5.088 1.00 25.00 H new ATOM 0 HD12 ILE A 61 12.672 28.402 5.167 1.00 25.00 H new ATOM 0 HD13 ILE A 61 11.834 28.674 3.621 1.00 25.00 H new ATOM 853 N LEU A 62 15.275 23.741 3.624 1.00 25.00 N ATOM 854 CA LEU A 62 16.591 23.262 3.252 1.00 25.00 C ATOM 855 C LEU A 62 16.726 21.843 2.713 1.00 25.00 C ATOM 856 O LEU A 62 17.798 21.269 2.390 1.00 25.00 O ATOM 857 CB LEU A 62 17.517 23.458 4.460 1.00 25.00 C ATOM 858 CG LEU A 62 18.400 24.750 4.373 1.00 25.00 C ATOM 859 CD1 LEU A 62 17.649 25.992 3.981 1.00 75.00 C ATOM 860 CD2 LEU A 62 19.148 24.931 5.668 1.00 75.00 C ATOM 0 H LEU A 62 15.139 23.912 4.620 1.00 25.00 H new ATOM 0 HA LEU A 62 16.864 23.858 2.381 1.00 25.00 H new ATOM 0 HB2 LEU A 62 16.913 23.502 5.366 1.00 25.00 H new ATOM 0 HB3 LEU A 62 18.168 22.589 4.552 1.00 25.00 H new ATOM 0 HG LEU A 62 19.106 24.598 3.557 1.00 25.00 H new ATOM 0 HD11 LEU A 62 18.337 26.837 3.945 1.00 75.00 H new ATOM 0 HD12 LEU A 62 17.198 25.850 2.999 1.00 75.00 H new ATOM 0 HD13 LEU A 62 16.867 26.191 4.714 1.00 75.00 H new ATOM 0 HD21 LEU A 62 19.763 25.829 5.610 1.00 75.00 H new ATOM 0 HD22 LEU A 62 18.437 25.030 6.488 1.00 75.00 H new ATOM 0 HD23 LEU A 62 19.786 24.065 5.844 1.00 75.00 H new ATOM 872 N ASP A 63 15.572 21.229 2.638 1.00 25.00 N ATOM 873 CA ASP A 63 15.358 19.900 1.959 1.00 25.00 C ATOM 874 C ASP A 63 15.620 20.011 0.462 1.00 25.00 C ATOM 875 O ASP A 63 15.930 19.023 -0.271 1.00 25.00 O ATOM 876 CB ASP A 63 13.890 19.410 2.021 1.00 25.00 C ATOM 877 CG ASP A 63 13.644 18.091 1.448 1.00 25.00 C ATOM 878 OD1 ASP A 63 12.797 17.923 0.524 1.00 50.00 O ATOM 879 OD2 ASP A 63 14.231 17.107 2.056 1.00 50.00 O1- ATOM 0 H ASP A 63 14.718 21.614 3.042 1.00 25.00 H new ATOM 0 HA ASP A 63 16.032 19.222 2.482 1.00 25.00 H new ATOM 0 HB2 ASP A 63 13.573 19.399 3.064 1.00 25.00 H new ATOM 0 HB3 ASP A 63 13.261 20.135 1.504 1.00 25.00 H new ATOM 884 N GLN A 64 15.687 21.200 -0.093 1.00 25.00 N ATOM 885 CA GLN A 64 16.072 21.352 -1.478 1.00 25.00 C ATOM 886 C GLN A 64 17.503 21.126 -1.802 1.00 25.00 C ATOM 887 O GLN A 64 17.943 21.279 -2.958 1.00 25.00 O ATOM 888 CB GLN A 64 15.558 22.746 -1.952 1.00 25.00 C ATOM 889 CG GLN A 64 16.227 23.887 -1.273 1.00 25.00 C ATOM 890 CD GLN A 64 15.611 25.237 -1.556 1.00 25.00 C ATOM 891 OE1 GLN A 64 16.071 25.919 -2.488 1.00 25.00 O ATOM 892 NE2 GLN A 64 14.682 25.667 -0.760 1.00 25.00 N ATOM 0 H GLN A 64 15.481 22.074 0.392 1.00 25.00 H new ATOM 0 HA GLN A 64 15.603 20.540 -2.034 1.00 25.00 H new ATOM 0 HB2 GLN A 64 15.710 22.834 -3.028 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.484 22.808 -1.776 1.00 25.00 H new ATOM 0 HG2 GLN A 64 16.210 23.713 -0.197 1.00 25.00 H new ATOM 0 HG3 GLN A 64 17.274 23.909 -1.576 1.00 25.00 H new ATOM 0 HE21 GLN A 64 14.337 25.069 -0.009 1.00 25.00 H new ATOM 0 HE22 GLN A 64 14.296 26.603 -0.885 1.00 25.00 H new ATOM 901 N GLN A 65 18.297 20.702 -0.825 1.00 25.00 N ATOM 902 CA GLN A 65 19.630 20.214 -0.981 1.00 25.00 C ATOM 903 C GLN A 65 19.668 18.783 -0.388 1.00 25.00 C ATOM 904 O GLN A 65 20.279 18.570 0.691 1.00 25.00 O ATOM 905 CB GLN A 65 20.536 21.168 -0.239 1.00 25.00 C ATOM 906 CG GLN A 65 22.026 20.908 -0.621 1.00 25.00 C ATOM 907 CD GLN A 65 22.924 21.933 0.013 1.00 25.00 C ATOM 908 OE1 GLN A 65 22.764 23.129 -0.165 1.00 25.00 O ATOM 909 NE2 GLN A 65 23.982 21.511 0.585 1.00 25.00 N ATOM 0 H GLN A 65 17.993 20.696 0.149 1.00 25.00 H new ATOM 0 HA GLN A 65 19.957 20.161 -2.020 1.00 25.00 H new ATOM 0 HB2 GLN A 65 20.266 22.197 -0.478 1.00 25.00 H new ATOM 0 HB3 GLN A 65 20.402 21.045 0.836 1.00 25.00 H new ATOM 0 HG2 GLN A 65 22.321 19.910 -0.298 1.00 25.00 H new ATOM 0 HG3 GLN A 65 22.139 20.939 -1.705 1.00 25.00 H new ATOM 0 HE21 GLN A 65 24.117 20.511 0.734 1.00 25.00 H new ATOM 0 HE22 GLN A 65 24.694 22.173 0.893 1.00 25.00 H new ATOM 918 N SER A 66 18.985 17.824 -1.004 1.00 25.00 N ATOM 919 CA SER A 66 18.849 16.431 -0.520 1.00 25.00 C ATOM 920 C SER A 66 18.746 15.332 -1.576 1.00 25.00 C ATOM 921 O SER A 66 18.227 15.532 -2.696 1.00 25.00 O ATOM 922 CB SER A 66 17.600 16.331 0.378 1.00 25.00 C ATOM 923 OG SER A 66 17.400 15.039 0.920 1.00 25.00 O ATOM 0 H SER A 66 18.491 17.987 -1.882 1.00 25.00 H new ATOM 0 HA SER A 66 19.788 16.244 0.001 1.00 25.00 H new ATOM 0 HB2 SER A 66 17.689 17.049 1.193 1.00 25.00 H new ATOM 0 HB3 SER A 66 16.721 16.614 -0.201 1.00 25.00 H new ATOM 0 HG SER A 66 16.596 15.040 1.480 1.00 25.00 H new ATOM 929 N GLU A 67 19.187 14.106 -1.295 1.00 25.00 N ATOM 930 CA GLU A 67 19.118 13.007 -2.296 1.00 25.00 C ATOM 931 C GLU A 67 17.668 12.573 -2.457 1.00 25.00 C ATOM 932 O GLU A 67 17.180 12.187 -3.485 1.00 25.00 O ATOM 933 CB GLU A 67 20.076 11.911 -1.851 1.00 25.00 C ATOM 934 CG GLU A 67 20.154 10.802 -2.864 1.00 25.00 C ATOM 935 CD GLU A 67 21.113 9.752 -2.426 1.00 25.00 C ATOM 936 OE1 GLU A 67 22.347 10.037 -2.227 1.00 25.00 O ATOM 937 OE2 GLU A 67 20.689 8.594 -2.409 1.00 25.00 O1- ATOM 0 H GLU A 67 19.593 13.837 -0.399 1.00 25.00 H new ATOM 0 HA GLU A 67 19.439 13.316 -3.291 1.00 25.00 H new ATOM 0 HB2 GLU A 67 21.068 12.334 -1.697 1.00 25.00 H new ATOM 0 HB3 GLU A 67 19.749 11.507 -0.893 1.00 25.00 H new ATOM 0 HG2 GLU A 67 19.167 10.363 -3.005 1.00 25.00 H new ATOM 0 HG3 GLU A 67 20.465 11.205 -3.828 1.00 25.00 H new ATOM 944 N ASN A 68 16.945 12.720 -1.383 1.00 25.00 N ATOM 945 CA ASN A 68 15.513 12.303 -1.312 1.00 25.00 C ATOM 946 C ASN A 68 14.691 13.561 -1.347 1.00 25.00 C ATOM 947 O ASN A 68 13.735 13.646 -0.667 1.00 25.00 O ATOM 948 CB ASN A 68 15.132 11.405 -0.089 1.00 25.00 C ATOM 949 CG ASN A 68 15.494 12.002 1.272 1.00 25.00 C ATOM 950 OD1 ASN A 68 16.713 12.156 1.629 1.00 25.00 O ATOM 951 ND2 ASN A 68 14.504 12.207 2.083 1.00 25.00 N ATOM 0 H ASN A 68 17.300 13.127 -0.518 1.00 25.00 H new ATOM 0 HA ASN A 68 15.311 11.653 -2.164 1.00 25.00 H new ATOM 0 HB2 ASN A 68 14.059 11.214 -0.114 1.00 25.00 H new ATOM 0 HB3 ASN A 68 15.630 10.441 -0.193 1.00 25.00 H new ATOM 0 HD21 ASN A 68 14.684 12.502 3.043 1.00 25.00 H new ATOM 0 HD22 ASN A 68 13.545 12.074 1.761 1.00 25.00 H new ATOM 958 N ARG A 69 15.208 14.570 -2.040 1.00 25.00 N ATOM 959 CA ARG A 69 14.501 15.732 -2.486 1.00 25.00 C ATOM 960 C ARG A 69 13.793 15.094 -3.705 1.00 25.00 C ATOM 961 O ARG A 69 14.400 14.736 -4.680 1.00 25.00 O ATOM 962 CB ARG A 69 15.407 16.871 -2.960 1.00 25.00 C ATOM 963 CG ARG A 69 14.641 17.980 -3.773 1.00 25.00 C ATOM 964 CD ARG A 69 15.707 19.024 -4.422 1.00 25.00 C ATOM 965 NE ARG A 69 14.946 20.132 -5.060 1.00 25.00 N ATOM 966 CZ ARG A 69 15.451 21.197 -5.634 1.00 25.00 C ATOM 967 NH1 ARG A 69 14.672 22.098 -6.170 1.00 25.00 N1+ ATOM 968 NH2 ARG A 69 16.701 21.484 -5.641 1.00 25.00 N ATOM 0 H ARG A 69 16.190 14.585 -2.314 1.00 25.00 H new ATOM 0 HA ARG A 69 13.887 16.201 -1.718 1.00 25.00 H new ATOM 0 HB2 ARG A 69 15.885 17.330 -2.094 1.00 25.00 H new ATOM 0 HB3 ARG A 69 16.202 16.459 -3.582 1.00 25.00 H new ATOM 0 HG2 ARG A 69 14.044 17.519 -4.560 1.00 25.00 H new ATOM 0 HG3 ARG A 69 13.950 18.511 -3.119 1.00 25.00 H new ATOM 0 HD2 ARG A 69 16.373 19.414 -3.652 1.00 25.00 H new ATOM 0 HD3 ARG A 69 16.332 18.519 -5.158 1.00 25.00 H new ATOM 0 HE ARG A 69 13.929 20.055 -5.050 1.00 25.00 H new ATOM 0 HH11 ARG A 69 13.660 21.977 -6.145 1.00 25.00 H new ATOM 0 HH12 ARG A 69 15.076 22.923 -6.614 1.00 25.00 H new ATOM 0 HH21 ARG A 69 17.369 20.866 -5.180 1.00 25.00 H new ATOM 0 HH22 ARG A 69 17.027 22.331 -6.107 1.00 25.00 H new ATOM 982 N TRP A 70 12.540 14.827 -3.409 1.00 25.00 N ATOM 983 CA TRP A 70 11.587 14.247 -4.364 1.00 25.00 C ATOM 984 C TRP A 70 11.629 14.845 -5.795 1.00 25.00 C ATOM 985 O TRP A 70 12.021 16.010 -6.079 1.00 25.00 O ATOM 986 CB TRP A 70 10.200 14.434 -3.801 1.00 25.00 C ATOM 987 CG TRP A 70 9.863 13.710 -2.625 1.00 25.00 C ATOM 988 CD1 TRP A 70 10.388 13.880 -1.427 1.00 25.00 C ATOM 989 CD2 TRP A 70 8.859 12.642 -2.471 1.00 25.00 C ATOM 990 NE1 TRP A 70 9.840 12.994 -0.486 1.00 25.00 N ATOM 991 CE2 TRP A 70 8.930 12.185 -1.122 1.00 25.00 C ATOM 992 CE3 TRP A 70 7.931 12.025 -3.312 1.00 25.00 C ATOM 993 CZ2 TRP A 70 8.295 11.099 -0.638 1.00 25.00 C ATOM 994 CZ3 TRP A 70 7.166 10.923 -2.834 1.00 25.00 C ATOM 995 CH2 TRP A 70 7.324 10.510 -1.491 1.00 25.00 C ATOM 0 H TRP A 70 12.137 15.005 -2.489 1.00 25.00 H new ATOM 0 HA TRP A 70 11.869 13.201 -4.481 1.00 25.00 H new ATOM 0 HB2 TRP A 70 10.062 15.495 -3.593 1.00 25.00 H new ATOM 0 HB3 TRP A 70 9.483 14.166 -4.577 1.00 25.00 H new ATOM 0 HD1 TRP A 70 11.148 14.612 -1.198 1.00 25.00 H new ATOM 0 HE1 TRP A 70 10.078 12.957 0.505 1.00 25.00 H new ATOM 0 HE3 TRP A 70 7.794 12.382 -4.322 1.00 25.00 H new ATOM 0 HZ2 TRP A 70 8.512 10.700 0.342 1.00 25.00 H new ATOM 0 HZ3 TRP A 70 6.476 10.410 -3.487 1.00 25.00 H new ATOM 0 HH2 TRP A 70 6.690 9.726 -1.104 1.00 25.00 H new ATOM 1006 N PHE A 71 11.158 13.979 -6.677 1.00 25.00 N ATOM 1007 CA PHE A 71 11.332 14.164 -8.088 1.00 25.00 C ATOM 1008 C PHE A 71 10.760 15.451 -8.700 1.00 25.00 C ATOM 1009 O PHE A 71 9.706 16.056 -8.353 1.00 25.00 O ATOM 1010 CB PHE A 71 10.847 12.937 -8.838 1.00 25.00 C ATOM 1011 CG PHE A 71 9.399 12.698 -8.573 1.00 25.00 C ATOM 1012 CD1 PHE A 71 8.985 11.721 -7.649 1.00 50.00 C ATOM 1013 CD2 PHE A 71 8.434 13.357 -9.353 1.00 50.00 C ATOM 1014 CE1 PHE A 71 7.618 11.525 -7.420 1.00 25.00 C ATOM 1015 CE2 PHE A 71 6.985 13.110 -9.195 1.00 25.00 C ATOM 1016 CZ PHE A 71 6.601 12.206 -8.237 1.00 25.00 C ATOM 0 H PHE A 71 10.647 13.133 -6.425 1.00 25.00 H new ATOM 0 HA PHE A 71 12.407 14.295 -8.209 1.00 25.00 H new ATOM 0 HB2 PHE A 71 11.009 13.070 -9.908 1.00 25.00 H new ATOM 0 HB3 PHE A 71 11.427 12.065 -8.534 1.00 25.00 H new ATOM 0 HD1 PHE A 71 9.716 11.127 -7.121 1.00 50.00 H new ATOM 0 HD2 PHE A 71 8.763 14.070 -10.095 1.00 50.00 H new ATOM 0 HE1 PHE A 71 7.304 10.861 -6.628 1.00 25.00 H new ATOM 0 HE2 PHE A 71 6.258 13.621 -9.809 1.00 25.00 H new ATOM 0 HZ PHE A 71 5.553 11.994 -8.083 1.00 25.00 H new ATOM 1026 N LYS A 72 11.484 15.948 -9.684 1.00 25.00 N ATOM 1027 CA LYS A 72 11.154 17.165 -10.418 1.00 25.00 C ATOM 1028 C LYS A 72 10.183 17.056 -11.532 1.00 25.00 C ATOM 1029 O LYS A 72 10.030 15.996 -12.190 1.00 25.00 O ATOM 1030 CB LYS A 72 12.481 17.763 -10.980 1.00 25.00 C ATOM 1031 CG LYS A 72 13.191 18.768 -10.088 1.00 25.00 C ATOM 1032 CD LYS A 72 12.439 20.100 -10.141 1.00 25.00 C ATOM 1033 CE LYS A 72 13.358 21.211 -9.668 1.00 25.00 C ATOM 1034 NZ LYS A 72 12.509 22.432 -9.572 1.00 25.00 N1+ ATOM 0 H LYS A 72 12.345 15.507 -10.008 1.00 25.00 H new ATOM 0 HA LYS A 72 10.648 17.795 -9.687 1.00 25.00 H new ATOM 0 HB2 LYS A 72 13.167 16.942 -11.186 1.00 25.00 H new ATOM 0 HB3 LYS A 72 12.264 18.244 -11.934 1.00 25.00 H new ATOM 0 HG2 LYS A 72 13.231 18.399 -9.063 1.00 25.00 H new ATOM 0 HG3 LYS A 72 14.221 18.904 -10.419 1.00 25.00 H new ATOM 0 HD2 LYS A 72 12.100 20.300 -11.158 1.00 25.00 H new ATOM 0 HD3 LYS A 72 11.550 20.055 -9.512 1.00 25.00 H new ATOM 0 HE2 LYS A 72 13.801 20.967 -8.703 1.00 25.00 H new ATOM 0 HE3 LYS A 72 14.181 21.361 -10.367 1.00 25.00 H new ATOM 0 HZ1 LYS A 72 13.116 23.268 -9.450 1.00 25.00 H new ATOM 0 HZ2 LYS A 72 11.949 22.535 -10.442 1.00 25.00 H new ATOM 0 HZ3 LYS A 72 11.869 22.347 -8.757 1.00 25.00 H new ATOM 1048 N HIS A 73 9.482 18.086 -11.871 1.00 25.00 N ATOM 1049 CA HIS A 73 8.513 18.117 -12.956 1.00 25.00 C ATOM 1050 C HIS A 73 8.413 19.514 -13.485 1.00 25.00 C ATOM 1051 O HIS A 73 8.718 20.473 -12.751 1.00 25.00 O ATOM 1052 CB HIS A 73 7.141 17.708 -12.513 1.00 25.00 C ATOM 1053 CG HIS A 73 6.740 16.300 -12.938 1.00 25.00 C ATOM 1054 ND1 HIS A 73 6.612 15.878 -14.246 1.00 25.00 N ATOM 1055 CD2 HIS A 73 6.350 15.255 -12.176 1.00 25.00 C ATOM 1056 CE1 HIS A 73 6.146 14.634 -14.222 1.00 25.00 C ATOM 1057 NE2 HIS A 73 6.005 14.236 -12.986 1.00 25.00 N ATOM 0 H HIS A 73 9.561 18.980 -11.386 1.00 25.00 H new ATOM 0 HA HIS A 73 8.861 17.414 -13.713 1.00 25.00 H new ATOM 0 HB2 HIS A 73 7.087 17.777 -11.427 1.00 25.00 H new ATOM 0 HB3 HIS A 73 6.416 18.417 -12.914 1.00 25.00 H new ATOM 0 HD2 HIS A 73 6.320 15.239 -11.097 1.00 25.00 H new ATOM 0 HE1 HIS A 73 5.918 14.040 -15.095 1.00 25.00 H new ATOM 0 HE2 HIS A 73 5.689 13.314 -12.686 1.00 25.00 H new ATOM 1065 N ILE A 74 7.979 19.638 -14.720 1.00 25.00 N ATOM 1066 CA ILE A 74 7.979 20.946 -15.353 1.00 25.00 C ATOM 1067 C ILE A 74 6.631 21.109 -15.985 1.00 25.00 C ATOM 1068 O ILE A 74 6.125 20.094 -16.480 1.00 25.00 O ATOM 1069 CB ILE A 74 9.241 21.130 -16.297 1.00 25.00 C ATOM 1070 CG1 ILE A 74 9.237 22.531 -16.893 1.00 25.00 C ATOM 1071 CG2 ILE A 74 9.259 20.100 -17.443 1.00 25.00 C ATOM 1072 CD1 ILE A 74 10.608 23.105 -17.212 1.00 25.00 C ATOM 0 H ILE A 74 7.629 18.873 -15.297 1.00 25.00 H new ATOM 0 HA ILE A 74 8.106 21.766 -14.647 1.00 25.00 H new ATOM 0 HB ILE A 74 10.130 20.976 -15.686 1.00 25.00 H new ATOM 0 HG12 ILE A 74 8.645 22.517 -17.808 1.00 25.00 H new ATOM 0 HG13 ILE A 74 8.733 23.202 -16.198 1.00 25.00 H new ATOM 0 HG21 ILE A 74 10.140 20.262 -18.064 1.00 25.00 H new ATOM 0 HG22 ILE A 74 9.289 19.093 -17.027 1.00 25.00 H new ATOM 0 HG23 ILE A 74 8.361 20.215 -18.050 1.00 25.00 H new ATOM 0 HD11 ILE A 74 10.495 24.105 -17.631 1.00 25.00 H new ATOM 0 HD12 ILE A 74 11.201 23.159 -16.299 1.00 25.00 H new ATOM 0 HD13 ILE A 74 11.112 22.463 -17.935 1.00 25.00 H new ATOM 1084 N MET A 75 6.011 22.271 -15.929 1.00 25.00 N ATOM 1085 CA MET A 75 4.682 22.471 -16.456 1.00 25.00 C ATOM 1086 C MET A 75 4.494 23.896 -16.856 1.00 25.00 C ATOM 1087 O MET A 75 5.151 24.786 -16.330 1.00 25.00 O ATOM 1088 CB MET A 75 3.613 22.166 -15.461 1.00 25.00 C ATOM 1089 CG MET A 75 2.792 20.919 -15.819 1.00 25.00 C ATOM 1090 SD MET A 75 1.504 20.570 -14.638 1.00 25.00 S ATOM 1091 CE MET A 75 0.821 19.071 -15.377 1.00 25.00 C ATOM 0 H MET A 75 6.421 23.107 -15.513 1.00 25.00 H new ATOM 0 HA MET A 75 4.595 21.792 -17.304 1.00 25.00 H new ATOM 0 HB2 MET A 75 4.068 22.025 -14.481 1.00 25.00 H new ATOM 0 HB3 MET A 75 2.944 23.023 -15.382 1.00 25.00 H new ATOM 0 HG2 MET A 75 2.347 21.055 -16.804 1.00 25.00 H new ATOM 0 HG3 MET A 75 3.458 20.059 -15.886 1.00 25.00 H new ATOM 0 HE1 MET A 75 -0.099 18.797 -14.860 1.00 25.00 H new ATOM 0 HE2 MET A 75 0.606 19.250 -16.431 1.00 25.00 H new ATOM 0 HE3 MET A 75 1.543 18.259 -15.287 1.00 25.00 H new ATOM 1101 N THR A 76 3.618 24.148 -17.847 1.00 25.00 N ATOM 1102 CA THR A 76 3.206 25.500 -18.233 1.00 25.00 C ATOM 1103 C THR A 76 2.043 25.960 -17.309 1.00 25.00 C ATOM 1104 O THR A 76 1.502 25.155 -16.537 1.00 25.00 O ATOM 1105 CB THR A 76 2.785 25.379 -19.688 1.00 25.00 C ATOM 1106 OG1 THR A 76 1.764 24.376 -19.736 1.00 25.00 O ATOM 1107 CG2 THR A 76 3.890 25.060 -20.594 1.00 25.00 C ATOM 0 H THR A 76 3.178 23.413 -18.401 1.00 25.00 H new ATOM 0 HA THR A 76 3.993 26.247 -18.127 1.00 25.00 H new ATOM 0 HB THR A 76 2.418 26.344 -20.039 1.00 25.00 H new ATOM 0 HG1 THR A 76 1.459 24.264 -20.660 1.00 25.00 H new ATOM 0 HG21 THR A 76 3.515 24.989 -21.615 1.00 25.00 H new ATOM 0 HG22 THR A 76 4.644 25.845 -20.538 1.00 25.00 H new ATOM 0 HG23 THR A 76 4.335 24.108 -20.304 1.00 25.00 H new ATOM 1115 N GLY A 77 1.602 27.195 -17.488 1.00 25.00 N ATOM 1116 CA GLY A 77 0.380 27.641 -16.865 1.00 25.00 C ATOM 1117 C GLY A 77 -0.836 27.060 -17.528 1.00 25.00 C ATOM 1118 O GLY A 77 -0.749 26.487 -18.589 1.00 25.00 O ATOM 0 H GLY A 77 2.073 27.898 -18.057 1.00 25.00 H new ATOM 0 HA2 GLY A 77 0.387 27.361 -15.812 1.00 25.00 H new ATOM 0 HA3 GLY A 77 0.329 28.729 -16.905 1.00 25.00 H new ATOM 1122 N GLY A 78 -1.993 27.227 -16.885 1.00 25.00 N ATOM 1123 CA GLY A 78 -3.246 26.748 -17.539 1.00 25.00 C ATOM 1124 C GLY A 78 -3.912 25.722 -16.705 1.00 25.00 C ATOM 1125 O GLY A 78 -3.272 25.199 -15.832 1.00 25.00 O ATOM 0 H GLY A 78 -2.106 27.660 -15.969 1.00 25.00 H new ATOM 0 HA2 GLY A 78 -3.922 27.588 -17.700 1.00 25.00 H new ATOM 0 HA3 GLY A 78 -3.014 26.332 -18.520 1.00 25.00 H new ATOM 1129 N GLU A 79 -5.100 25.302 -17.123 1.00 25.00 N ATOM 1130 CA GLU A 79 -5.654 24.020 -16.585 1.00 25.00 C ATOM 1131 C GLU A 79 -4.917 22.837 -17.107 1.00 25.00 C ATOM 1132 O GLU A 79 -4.790 22.640 -18.345 1.00 25.00 O ATOM 1133 CB GLU A 79 -7.114 23.886 -16.886 1.00 25.00 C ATOM 1134 CG GLU A 79 -7.992 24.901 -16.145 1.00 25.00 C ATOM 1135 CD GLU A 79 -9.396 24.973 -16.626 1.00 25.00 C ATOM 1136 OE1 GLU A 79 -9.963 23.889 -17.004 1.00 25.00 O ATOM 1137 OE2 GLU A 79 -9.999 26.069 -16.624 1.00 25.00 O1- ATOM 0 H GLU A 79 -5.690 25.787 -17.799 1.00 25.00 H new ATOM 0 HA GLU A 79 -5.523 24.053 -15.503 1.00 25.00 H new ATOM 0 HB2 GLU A 79 -7.267 24.002 -17.959 1.00 25.00 H new ATOM 0 HB3 GLU A 79 -7.439 22.879 -16.625 1.00 25.00 H new ATOM 0 HG2 GLU A 79 -7.998 24.650 -15.084 1.00 25.00 H new ATOM 0 HG3 GLU A 79 -7.539 25.888 -16.237 1.00 25.00 H new ATOM 1144 N HIS A 80 -4.598 21.948 -16.215 1.00 25.00 N ATOM 1145 CA HIS A 80 -4.021 20.689 -16.589 1.00 25.00 C ATOM 1146 C HIS A 80 -4.701 19.546 -15.856 1.00 25.00 C ATOM 1147 O HIS A 80 -5.074 19.704 -14.687 1.00 25.00 O ATOM 1148 CB HIS A 80 -2.579 20.594 -16.141 1.00 25.00 C ATOM 1149 CG HIS A 80 -1.660 21.538 -16.813 1.00 25.00 C ATOM 1150 ND1 HIS A 80 -1.099 21.296 -18.046 1.00 25.00 N ATOM 1151 CD2 HIS A 80 -1.089 22.663 -16.347 1.00 25.00 C ATOM 1152 CE1 HIS A 80 -0.185 22.226 -18.258 1.00 25.00 C ATOM 1153 NE2 HIS A 80 -0.166 23.069 -17.236 1.00 25.00 N ATOM 0 H HIS A 80 -4.729 22.073 -15.211 1.00 25.00 H new ATOM 0 HA HIS A 80 -4.128 20.624 -17.672 1.00 25.00 H new ATOM 0 HB2 HIS A 80 -2.535 20.768 -15.066 1.00 25.00 H new ATOM 0 HB3 HIS A 80 -2.225 19.578 -16.314 1.00 25.00 H new ATOM 0 HD2 HIS A 80 -1.331 23.156 -15.417 1.00 25.00 H new ATOM 0 HE1 HIS A 80 0.449 22.289 -19.130 1.00 25.00 H new ATOM 0 HE2 HIS A 80 0.442 23.883 -17.141 1.00 25.00 H new ATOM 1161 N THR A 81 -4.815 18.359 -16.479 1.00 25.00 N ATOM 1162 CA THR A 81 -5.277 17.148 -15.843 1.00 25.00 C ATOM 1163 C THR A 81 -4.151 16.450 -15.166 1.00 25.00 C ATOM 1164 O THR A 81 -3.091 16.259 -15.787 1.00 25.00 O ATOM 1165 CB THR A 81 -5.973 16.133 -16.824 1.00 25.00 C ATOM 1166 OG1 THR A 81 -6.812 16.878 -17.683 1.00 25.00 O ATOM 1167 CG2 THR A 81 -6.876 15.187 -16.131 1.00 25.00 C ATOM 0 H THR A 81 -4.578 18.230 -17.463 1.00 25.00 H new ATOM 0 HA THR A 81 -6.028 17.474 -15.123 1.00 25.00 H new ATOM 0 HB THR A 81 -5.181 15.579 -17.327 1.00 25.00 H new ATOM 0 HG1 THR A 81 -7.458 17.386 -17.149 1.00 25.00 H new ATOM 0 HG21 THR A 81 -7.326 14.513 -16.860 1.00 25.00 H new ATOM 0 HG22 THR A 81 -6.307 14.608 -15.404 1.00 25.00 H new ATOM 0 HG23 THR A 81 -7.661 15.743 -15.618 1.00 25.00 H new ATOM 1175 N PHE A 82 -4.367 15.972 -13.956 1.00 25.00 N ATOM 1176 CA PHE A 82 -3.499 15.031 -13.293 1.00 25.00 C ATOM 1177 C PHE A 82 -4.231 13.713 -13.298 1.00 25.00 C ATOM 1178 O PHE A 82 -5.414 13.719 -12.958 1.00 25.00 O ATOM 1179 CB PHE A 82 -3.088 15.476 -11.872 1.00 25.00 C ATOM 1180 CG PHE A 82 -2.234 16.690 -11.891 1.00 25.00 C ATOM 1181 CD1 PHE A 82 -0.821 16.548 -11.818 1.00 50.00 C ATOM 1182 CD2 PHE A 82 -2.798 17.981 -12.082 1.00 50.00 C ATOM 1183 CE1 PHE A 82 -0.001 17.727 -11.887 1.00 25.00 C ATOM 1184 CE2 PHE A 82 -1.998 19.107 -12.156 1.00 25.00 C ATOM 1185 CZ PHE A 82 -0.601 18.961 -11.992 1.00 25.00 C ATOM 0 H PHE A 82 -5.176 16.238 -13.395 1.00 25.00 H new ATOM 0 HA PHE A 82 -2.549 14.954 -13.821 1.00 25.00 H new ATOM 0 HB2 PHE A 82 -3.983 15.672 -11.281 1.00 25.00 H new ATOM 0 HB3 PHE A 82 -2.552 14.664 -11.379 1.00 25.00 H new ATOM 0 HD1 PHE A 82 -0.372 15.572 -11.713 1.00 50.00 H new ATOM 0 HD2 PHE A 82 -3.869 18.084 -12.171 1.00 50.00 H new ATOM 0 HE1 PHE A 82 1.075 17.645 -11.857 1.00 25.00 H new ATOM 0 HE2 PHE A 82 -2.432 20.079 -12.336 1.00 25.00 H new ATOM 0 HZ PHE A 82 0.015 19.847 -11.948 1.00 25.00 H new ATOM 1195 N THR A 83 -3.571 12.613 -13.630 1.00 25.00 N ATOM 1196 CA THR A 83 -4.240 11.312 -13.692 1.00 25.00 C ATOM 1197 C THR A 83 -3.619 10.439 -12.586 1.00 25.00 C ATOM 1198 O THR A 83 -2.411 10.205 -12.602 1.00 25.00 O ATOM 1199 CB THR A 83 -4.115 10.593 -15.098 1.00 25.00 C ATOM 1200 OG1 THR A 83 -4.752 11.380 -16.158 1.00 25.00 O ATOM 1201 CG2 THR A 83 -4.865 9.278 -15.103 1.00 25.00 C ATOM 0 H THR A 83 -2.578 12.590 -13.860 1.00 25.00 H new ATOM 0 HA THR A 83 -5.310 11.463 -13.547 1.00 25.00 H new ATOM 0 HB THR A 83 -3.046 10.464 -15.269 1.00 25.00 H new ATOM 0 HG1 THR A 83 -4.658 10.913 -17.014 1.00 25.00 H new ATOM 0 HG21 THR A 83 -4.763 8.805 -16.080 1.00 25.00 H new ATOM 0 HG22 THR A 83 -4.453 8.621 -14.337 1.00 25.00 H new ATOM 0 HG23 THR A 83 -5.920 9.460 -14.896 1.00 25.00 H new ATOM 1209 N TRP A 84 -4.439 9.970 -11.663 1.00 25.00 N ATOM 1210 CA TRP A 84 -3.973 9.092 -10.571 1.00 25.00 C ATOM 1211 C TRP A 84 -4.724 7.739 -10.641 1.00 25.00 C ATOM 1212 O TRP A 84 -5.854 7.710 -11.205 1.00 25.00 O ATOM 1213 CB TRP A 84 -4.188 9.696 -9.155 1.00 25.00 C ATOM 1214 CG TRP A 84 -3.383 10.887 -8.852 1.00 25.00 C ATOM 1215 CD1 TRP A 84 -2.387 11.349 -9.537 1.00 25.00 C ATOM 1216 CD2 TRP A 84 -3.579 11.763 -7.683 1.00 25.00 C ATOM 1217 NE1 TRP A 84 -1.891 12.467 -8.952 1.00 25.00 N ATOM 1218 CE2 TRP A 84 -2.568 12.743 -7.759 1.00 25.00 C ATOM 1219 CE3 TRP A 84 -4.566 11.860 -6.656 1.00 25.00 C ATOM 1220 CZ2 TRP A 84 -2.387 13.726 -6.737 1.00 25.00 C ATOM 1221 CZ3 TRP A 84 -4.418 12.895 -5.671 1.00 25.00 C ATOM 1222 CH2 TRP A 84 -3.335 13.791 -5.715 1.00 25.00 C ATOM 0 H TRP A 84 -5.438 10.176 -11.636 1.00 25.00 H new ATOM 0 HA TRP A 84 -2.900 8.967 -10.715 1.00 25.00 H new ATOM 0 HB2 TRP A 84 -5.242 9.952 -9.043 1.00 25.00 H new ATOM 0 HB3 TRP A 84 -3.966 8.929 -8.413 1.00 25.00 H new ATOM 0 HD1 TRP A 84 -2.005 10.907 -10.445 1.00 25.00 H new ATOM 0 HE1 TRP A 84 -1.129 13.030 -9.330 1.00 25.00 H new ATOM 0 HE3 TRP A 84 -5.400 11.175 -6.621 1.00 25.00 H new ATOM 0 HZ2 TRP A 84 -1.542 14.398 -6.755 1.00 25.00 H new ATOM 0 HZ3 TRP A 84 -5.151 12.987 -4.883 1.00 25.00 H new ATOM 0 HH2 TRP A 84 -3.235 14.542 -4.945 1.00 25.00 H new ATOM 1233 N THR A 85 -4.142 6.596 -10.238 1.00 25.00 N ATOM 1234 CA THR A 85 -4.684 5.262 -10.416 1.00 25.00 C ATOM 1235 C THR A 85 -4.351 4.389 -9.180 1.00 25.00 C ATOM 1236 O THR A 85 -3.431 4.774 -8.432 1.00 25.00 O ATOM 1237 CB THR A 85 -4.141 4.673 -11.740 1.00 25.00 C ATOM 1238 OG1 THR A 85 -4.762 3.370 -11.964 1.00 25.00 O ATOM 1239 CG2 THR A 85 -2.621 4.435 -11.719 1.00 25.00 C ATOM 0 H THR A 85 -3.241 6.590 -9.759 1.00 25.00 H new ATOM 0 HA THR A 85 -5.771 5.290 -10.491 1.00 25.00 H new ATOM 0 HB THR A 85 -4.372 5.399 -12.520 1.00 25.00 H new ATOM 0 HG1 THR A 85 -4.421 2.728 -11.307 1.00 25.00 H new ATOM 0 HG21 THR A 85 -2.304 4.021 -12.676 1.00 25.00 H new ATOM 0 HG22 THR A 85 -2.107 5.380 -11.544 1.00 25.00 H new ATOM 0 HG23 THR A 85 -2.373 3.735 -10.921 1.00 25.00 H new ATOM 1247 N TYR A 86 -5.101 3.329 -8.952 1.00 25.00 N ATOM 1248 CA TYR A 86 -4.692 2.211 -8.081 1.00 25.00 C ATOM 1249 C TYR A 86 -3.920 1.321 -8.964 1.00 25.00 C ATOM 1250 O TYR A 86 -4.223 1.197 -10.113 1.00 25.00 O ATOM 1251 CB TYR A 86 -5.985 1.620 -7.478 1.00 25.00 C ATOM 1252 CG TYR A 86 -6.667 2.551 -6.472 1.00 25.00 C ATOM 1253 CD1 TYR A 86 -7.960 3.059 -6.697 1.00 50.00 C ATOM 1254 CD2 TYR A 86 -6.010 2.921 -5.289 1.00 50.00 C ATOM 1255 CE1 TYR A 86 -8.614 3.837 -5.720 1.00 25.00 C ATOM 1256 CE2 TYR A 86 -6.653 3.796 -4.390 1.00 25.00 C ATOM 1257 CZ TYR A 86 -7.930 4.245 -4.589 1.00 25.00 C ATOM 1258 OH TYR A 86 -8.505 5.118 -3.762 1.00 25.00 O ATOM 0 H TYR A 86 -6.025 3.205 -9.365 1.00 25.00 H new ATOM 0 HA TYR A 86 -4.061 2.456 -7.226 1.00 25.00 H new ATOM 0 HB2 TYR A 86 -6.683 1.394 -8.284 1.00 25.00 H new ATOM 0 HB3 TYR A 86 -5.750 0.676 -6.987 1.00 25.00 H new ATOM 0 HD1 TYR A 86 -8.459 2.850 -7.632 1.00 50.00 H new ATOM 0 HD2 TYR A 86 -5.023 2.540 -5.070 1.00 50.00 H new ATOM 0 HE1 TYR A 86 -9.649 4.114 -5.855 1.00 25.00 H new ATOM 0 HE2 TYR A 86 -6.118 4.124 -3.511 1.00 25.00 H new ATOM 0 HH TYR A 86 -9.478 5.006 -3.793 1.00 25.00 H new ATOM 1268 N THR A 87 -2.939 0.653 -8.391 1.00 25.00 N ATOM 1269 CA THR A 87 -2.422 -0.505 -9.138 1.00 25.00 C ATOM 1270 C THR A 87 -2.871 -1.673 -8.333 1.00 25.00 C ATOM 1271 O THR A 87 -2.963 -2.767 -8.869 1.00 25.00 O ATOM 1272 CB THR A 87 -0.910 -0.455 -9.419 1.00 25.00 C ATOM 1273 OG1 THR A 87 -0.520 -1.362 -10.432 1.00 25.00 O ATOM 1274 CG2 THR A 87 -0.059 -0.777 -8.211 1.00 25.00 C ATOM 0 H THR A 87 -2.506 0.856 -7.490 1.00 25.00 H new ATOM 0 HA THR A 87 -2.809 -0.545 -10.156 1.00 25.00 H new ATOM 0 HB THR A 87 -0.742 0.577 -9.728 1.00 25.00 H new ATOM 0 HG1 THR A 87 0.447 -1.294 -10.577 1.00 25.00 H new ATOM 0 HG21 THR A 87 0.995 -0.723 -8.483 1.00 25.00 H new ATOM 0 HG22 THR A 87 -0.266 -0.059 -7.418 1.00 25.00 H new ATOM 0 HG23 THR A 87 -0.291 -1.782 -7.860 1.00 25.00 H new ATOM 1282 N ALA A 88 -3.242 -1.482 -7.052 1.00 25.00 N ATOM 1283 CA ALA A 88 -3.812 -2.531 -6.219 1.00 25.00 C ATOM 1284 C ALA A 88 -4.933 -1.760 -5.496 1.00 25.00 C ATOM 1285 O ALA A 88 -4.751 -0.590 -5.210 1.00 25.00 O ATOM 1286 CB ALA A 88 -2.783 -3.029 -5.309 1.00 25.00 C ATOM 0 H ALA A 88 -3.149 -0.586 -6.574 1.00 25.00 H new ATOM 0 HA ALA A 88 -4.181 -3.414 -6.741 1.00 25.00 H new ATOM 0 HB1 ALA A 88 -3.202 -3.815 -4.681 1.00 25.00 H new ATOM 0 HB2 ALA A 88 -1.950 -3.431 -5.886 1.00 25.00 H new ATOM 0 HB3 ALA A 88 -2.428 -2.213 -4.680 1.00 25.00 H new ATOM 1292 N PRO A 89 -6.066 -2.397 -5.173 1.00 25.00 N ATOM 1293 CA PRO A 89 -7.119 -1.626 -4.483 1.00 25.00 C ATOM 1294 C PRO A 89 -6.694 -1.107 -3.095 1.00 25.00 C ATOM 1295 O PRO A 89 -5.844 -1.695 -2.424 1.00 25.00 O ATOM 1296 CB PRO A 89 -8.253 -2.658 -4.382 1.00 25.00 C ATOM 1297 CG PRO A 89 -7.583 -3.914 -4.375 1.00 25.00 C ATOM 1298 CD PRO A 89 -6.459 -3.829 -5.309 1.00 25.00 C ATOM 0 HA PRO A 89 -7.386 -0.713 -5.014 1.00 25.00 H new ATOM 0 HB2 PRO A 89 -8.841 -2.516 -3.476 1.00 25.00 H new ATOM 0 HB3 PRO A 89 -8.940 -2.578 -5.224 1.00 25.00 H new ATOM 0 HG2 PRO A 89 -7.229 -4.152 -3.372 1.00 25.00 H new ATOM 0 HG3 PRO A 89 -8.265 -4.712 -4.670 1.00 25.00 H new ATOM 0 HD2 PRO A 89 -5.648 -4.504 -5.037 1.00 25.00 H new ATOM 0 HD3 PRO A 89 -6.753 -4.078 -6.328 1.00 25.00 H new ATOM 1306 N HIS A 90 -7.276 -0.007 -2.699 1.00 25.00 N ATOM 1307 CA HIS A 90 -7.091 0.466 -1.322 1.00 25.00 C ATOM 1308 C HIS A 90 -8.537 0.688 -0.901 1.00 25.00 C ATOM 1309 O HIS A 90 -9.359 0.767 -1.790 1.00 25.00 O ATOM 1310 CB HIS A 90 -6.247 1.710 -1.367 1.00 0.00 C ATOM 1311 CG HIS A 90 -4.779 1.454 -1.267 1.00 0.00 C ATOM 1312 ND1 HIS A 90 -4.172 0.884 -0.182 1.00 0.00 N ATOM 1313 CD2 HIS A 90 -3.775 1.741 -2.106 1.00 0.00 C ATOM 1314 CE1 HIS A 90 -2.860 0.971 -0.339 1.00 0.00 C ATOM 1315 NE2 HIS A 90 -2.562 1.538 -1.517 1.00 0.00 N ATOM 0 H HIS A 90 -7.873 0.579 -3.283 1.00 25.00 H new ATOM 0 HA HIS A 90 -6.572 -0.191 -0.624 1.00 25.00 H new ATOM 0 HB2 HIS A 90 -6.450 2.241 -2.297 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -6.546 2.369 -0.552 1.00 0.00 H new ATOM 0 HD1 HIS A 90 -4.650 0.463 0.615 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -3.909 2.089 -3.120 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -2.131 0.632 0.382 1.00 0.00 H new ATOM 1323 N ASN A 91 -8.713 1.092 0.319 1.00 25.00 N ATOM 1324 CA ASN A 91 -9.901 1.802 0.834 1.00 25.00 C ATOM 1325 C ASN A 91 -9.438 3.131 1.318 1.00 25.00 C ATOM 1326 O ASN A 91 -9.070 3.266 2.450 1.00 25.00 O ATOM 1327 CB ASN A 91 -10.590 0.920 1.929 1.00 25.00 C ATOM 1328 CG ASN A 91 -11.902 1.535 2.378 1.00 25.00 C ATOM 1329 OD1 ASN A 91 -12.338 2.543 1.851 1.00 25.00 O ATOM 1330 ND2 ASN A 91 -12.557 0.847 3.304 1.00 25.00 N ATOM 0 H ASN A 91 -8.009 0.940 1.041 1.00 25.00 H new ATOM 0 HA ASN A 91 -10.662 1.972 0.073 1.00 25.00 H new ATOM 0 HB2 ASN A 91 -10.769 -0.080 1.535 1.00 25.00 H new ATOM 0 HB3 ASN A 91 -9.924 0.811 2.785 1.00 25.00 H new ATOM 0 HD21 ASN A 91 -13.479 1.156 3.612 1.00 25.00 H new ATOM 0 HD22 ASN A 91 -12.138 0.009 3.708 1.00 25.00 H new ATOM 1337 N THR A 92 -9.326 4.133 0.453 1.00 25.00 N ATOM 1338 CA THR A 92 -8.885 5.448 0.894 1.00 25.00 C ATOM 1339 C THR A 92 -10.100 6.003 1.593 1.00 25.00 C ATOM 1340 O THR A 92 -11.185 5.665 1.182 1.00 25.00 O ATOM 1341 CB THR A 92 -8.491 6.368 -0.267 1.00 25.00 C ATOM 1342 OG1 THR A 92 -9.489 6.315 -1.283 1.00 25.00 O ATOM 1343 CG2 THR A 92 -7.148 5.961 -0.937 1.00 25.00 C ATOM 0 H THR A 92 -9.532 4.061 -0.543 1.00 25.00 H new ATOM 0 HA THR A 92 -7.994 5.380 1.518 1.00 25.00 H new ATOM 0 HB THR A 92 -8.387 7.365 0.161 1.00 25.00 H new ATOM 0 HG1 THR A 92 -9.112 5.909 -2.091 1.00 25.00 H new ATOM 0 HG21 THR A 92 -6.924 6.650 -1.751 1.00 25.00 H new ATOM 0 HG22 THR A 92 -6.347 5.999 -0.199 1.00 25.00 H new ATOM 0 HG23 THR A 92 -7.230 4.948 -1.331 1.00 25.00 H new ATOM 1351 N SER A 93 -9.971 6.852 2.606 1.00 25.00 N ATOM 1352 CA SER A 93 -11.138 7.580 3.123 1.00 25.00 C ATOM 1353 C SER A 93 -11.181 9.078 2.743 1.00 25.00 C ATOM 1354 O SER A 93 -12.261 9.652 2.462 1.00 25.00 O ATOM 1355 CB SER A 93 -11.067 7.460 4.625 1.00 25.00 C ATOM 1356 OG SER A 93 -9.724 7.649 5.048 1.00 25.00 O ATOM 0 H SER A 93 -9.092 7.055 3.082 1.00 25.00 H new ATOM 0 HA SER A 93 -12.036 7.145 2.684 1.00 25.00 H new ATOM 0 HB2 SER A 93 -11.715 8.202 5.092 1.00 25.00 H new ATOM 0 HB3 SER A 93 -11.425 6.480 4.940 1.00 25.00 H new ATOM 0 HG SER A 93 -9.644 7.417 5.997 1.00 25.00 H new ATOM 1362 N GLN A 94 -10.064 9.730 2.572 1.00 25.00 N ATOM 1363 CA GLN A 94 -9.998 11.128 2.201 1.00 25.00 C ATOM 1364 C GLN A 94 -8.583 11.333 1.740 1.00 25.00 C ATOM 1365 O GLN A 94 -7.710 10.545 2.049 1.00 25.00 O ATOM 1366 CB GLN A 94 -10.234 12.044 3.430 1.00 25.00 C ATOM 1367 CG GLN A 94 -10.327 13.524 3.072 1.00 25.00 C ATOM 1368 CD GLN A 94 -10.658 14.359 4.329 1.00 25.00 C ATOM 1369 OE1 GLN A 94 -9.951 14.366 5.327 1.00 25.00 O ATOM 1370 NE2 GLN A 94 -11.824 14.962 4.290 1.00 25.00 N ATOM 0 H GLN A 94 -9.147 9.298 2.688 1.00 25.00 H new ATOM 0 HA GLN A 94 -10.751 11.369 1.451 1.00 25.00 H new ATOM 0 HB2 GLN A 94 -11.154 11.740 3.929 1.00 25.00 H new ATOM 0 HB3 GLN A 94 -9.422 11.900 4.143 1.00 25.00 H new ATOM 0 HG2 GLN A 94 -9.384 13.861 2.641 1.00 25.00 H new ATOM 0 HG3 GLN A 94 -11.096 13.674 2.314 1.00 25.00 H new ATOM 0 HE21 GLN A 94 -12.385 14.933 3.438 1.00 25.00 H new ATOM 0 HE22 GLN A 94 -12.169 15.459 5.111 1.00 25.00 H new ATOM 1379 N TRP A 95 -8.304 12.362 0.940 1.00 25.00 N ATOM 1380 CA TRP A 95 -6.948 12.865 0.709 1.00 25.00 C ATOM 1381 C TRP A 95 -6.985 14.377 0.420 1.00 25.00 C ATOM 1382 O TRP A 95 -8.089 14.910 0.132 1.00 25.00 O ATOM 1383 CB TRP A 95 -6.320 12.068 -0.432 1.00 25.00 C ATOM 1384 CG TRP A 95 -6.957 12.199 -1.797 1.00 25.00 C ATOM 1385 CD1 TRP A 95 -6.814 13.204 -2.569 1.00 25.00 C ATOM 1386 CD2 TRP A 95 -7.810 11.263 -2.486 1.00 25.00 C ATOM 1387 NE1 TRP A 95 -7.486 13.026 -3.770 1.00 25.00 N ATOM 1388 CE2 TRP A 95 -8.165 11.857 -3.717 1.00 25.00 C ATOM 1389 CE3 TRP A 95 -8.168 9.922 -2.253 1.00 25.00 C ATOM 1390 CZ2 TRP A 95 -8.991 11.209 -4.658 1.00 25.00 C ATOM 1391 CZ3 TRP A 95 -9.021 9.262 -3.205 1.00 25.00 C ATOM 1392 CH2 TRP A 95 -9.458 9.964 -4.397 1.00 25.00 C ATOM 0 H TRP A 95 -9.021 12.876 0.428 1.00 25.00 H new ATOM 0 HA TRP A 95 -6.332 12.732 1.598 1.00 25.00 H new ATOM 0 HB2 TRP A 95 -5.275 12.365 -0.517 1.00 25.00 H new ATOM 0 HB3 TRP A 95 -6.330 11.014 -0.154 1.00 25.00 H new ATOM 0 HD1 TRP A 95 -6.241 14.085 -2.319 1.00 25.00 H new ATOM 0 HE1 TRP A 95 -7.471 13.670 -4.561 1.00 25.00 H new ATOM 0 HE3 TRP A 95 -7.810 9.400 -1.378 1.00 25.00 H new ATOM 0 HZ2 TRP A 95 -9.250 11.703 -5.583 1.00 25.00 H new ATOM 0 HZ3 TRP A 95 -9.336 8.244 -3.032 1.00 25.00 H new ATOM 0 HH2 TRP A 95 -10.155 9.495 -5.076 1.00 25.00 H new ATOM 1403 N HIS A 96 -5.845 15.037 0.553 1.00 25.00 N ATOM 1404 CA HIS A 96 -5.633 16.460 0.367 1.00 25.00 C ATOM 1405 C HIS A 96 -4.480 16.709 -0.564 1.00 25.00 C ATOM 1406 O HIS A 96 -3.563 15.896 -0.517 1.00 25.00 O ATOM 1407 CB HIS A 96 -5.317 17.120 1.719 1.00 25.00 C ATOM 1408 CG HIS A 96 -6.292 16.692 2.820 1.00 25.00 C ATOM 1409 ND1 HIS A 96 -7.332 17.483 3.322 1.00 25.00 N ATOM 1410 CD2 HIS A 96 -6.313 15.572 3.649 1.00 25.00 C ATOM 1411 CE1 HIS A 96 -7.860 16.921 4.387 1.00 25.00 C ATOM 1412 NE2 HIS A 96 -7.216 15.804 4.663 1.00 25.00 N ATOM 0 H HIS A 96 -4.984 14.556 0.812 1.00 25.00 H new ATOM 0 HA HIS A 96 -6.542 16.884 -0.060 1.00 25.00 H new ATOM 0 HB2 HIS A 96 -4.301 16.862 2.017 1.00 25.00 H new ATOM 0 HB3 HIS A 96 -5.352 18.204 1.608 1.00 25.00 H new ATOM 0 HD2 HIS A 96 -5.723 14.677 3.519 1.00 25.00 H new ATOM 0 HE1 HIS A 96 -8.694 17.314 4.950 1.00 25.00 H new ATOM 0 HE2 HIS A 96 -7.361 15.215 5.483 1.00 25.00 H new ATOM 1420 N TYR A 97 -4.414 17.839 -1.209 1.00 25.00 N ATOM 1421 CA TYR A 97 -3.274 18.338 -1.960 1.00 25.00 C ATOM 1422 C TYR A 97 -3.312 19.821 -1.825 1.00 25.00 C ATOM 1423 O TYR A 97 -4.285 20.455 -1.516 1.00 25.00 O ATOM 1424 CB TYR A 97 -3.254 17.823 -3.403 1.00 25.00 C ATOM 1425 CG TYR A 97 -4.548 17.796 -4.160 1.00 25.00 C ATOM 1426 CD1 TYR A 97 -5.438 16.698 -4.006 1.00 50.00 C ATOM 1427 CD2 TYR A 97 -4.860 18.775 -5.022 1.00 50.00 C ATOM 1428 CE1 TYR A 97 -6.659 16.649 -4.661 1.00 25.00 C ATOM 1429 CE2 TYR A 97 -6.080 18.757 -5.714 1.00 25.00 C ATOM 1430 CZ TYR A 97 -6.936 17.724 -5.515 1.00 25.00 C ATOM 1431 OH TYR A 97 -8.077 17.785 -6.158 1.00 25.00 O ATOM 0 H TYR A 97 -5.202 18.486 -1.232 1.00 25.00 H new ATOM 0 HA TYR A 97 -2.330 17.963 -1.564 1.00 25.00 H new ATOM 0 HB2 TYR A 97 -2.551 18.436 -3.966 1.00 25.00 H new ATOM 0 HB3 TYR A 97 -2.854 16.809 -3.390 1.00 25.00 H new ATOM 0 HD1 TYR A 97 -5.155 15.879 -3.361 1.00 50.00 H new ATOM 0 HD2 TYR A 97 -4.165 19.585 -5.185 1.00 50.00 H new ATOM 0 HE1 TYR A 97 -7.353 15.833 -4.521 1.00 25.00 H new ATOM 0 HE2 TYR A 97 -6.334 19.555 -6.396 1.00 25.00 H new ATOM 0 HH TYR A 97 -8.101 18.598 -6.705 1.00 25.00 H new ATOM 1441 N TYR A 98 -2.092 20.382 -1.868 1.00 25.00 N ATOM 1442 CA TYR A 98 -1.777 21.666 -1.261 1.00 25.00 C ATOM 1443 C TYR A 98 -0.760 22.147 -2.255 1.00 25.00 C ATOM 1444 O TYR A 98 -0.221 21.363 -3.030 1.00 25.00 O ATOM 1445 CB TYR A 98 -1.081 21.572 0.092 1.00 25.00 C ATOM 1446 CG TYR A 98 -1.877 20.990 1.225 1.00 25.00 C ATOM 1447 CD1 TYR A 98 -1.796 19.602 1.537 1.00 50.00 C ATOM 1448 CD2 TYR A 98 -2.688 21.780 2.007 1.00 50.00 C ATOM 1449 CE1 TYR A 98 -2.548 19.103 2.609 1.00 25.00 C ATOM 1450 CE2 TYR A 98 -3.424 21.231 3.047 1.00 25.00 C ATOM 1451 CZ TYR A 98 -3.356 19.897 3.302 1.00 25.00 C ATOM 1452 OH TYR A 98 -3.996 19.225 4.324 1.00 25.00 O ATOM 0 H TYR A 98 -1.296 19.945 -2.332 1.00 25.00 H new ATOM 0 HA TYR A 98 -2.665 22.270 -1.075 1.00 25.00 H new ATOM 0 HB2 TYR A 98 -0.178 20.974 -0.031 1.00 25.00 H new ATOM 0 HB3 TYR A 98 -0.762 22.574 0.380 1.00 25.00 H new ATOM 0 HD1 TYR A 98 -1.165 18.945 0.957 1.00 50.00 H new ATOM 0 HD2 TYR A 98 -2.752 22.840 1.809 1.00 50.00 H new ATOM 0 HE1 TYR A 98 -2.469 18.059 2.875 1.00 25.00 H new ATOM 0 HE2 TYR A 98 -4.052 21.865 3.655 1.00 25.00 H new ATOM 0 HH TYR A 98 -4.579 19.846 4.809 1.00 25.00 H new ATOM 1462 N ILE A 99 -0.420 23.408 -2.139 1.00 25.00 N ATOM 1463 CA ILE A 99 0.797 24.005 -2.736 1.00 25.00 C ATOM 1464 C ILE A 99 1.489 24.899 -1.668 1.00 25.00 C ATOM 1465 O ILE A 99 0.778 25.397 -0.820 1.00 25.00 O ATOM 1466 CB ILE A 99 0.499 24.818 -4.054 1.00 25.00 C ATOM 1467 CG1 ILE A 99 -0.602 25.829 -3.744 1.00 25.00 C ATOM 1468 CG2 ILE A 99 0.123 23.860 -5.246 1.00 25.00 C ATOM 1469 CD1 ILE A 99 -0.847 26.909 -4.839 1.00 25.00 C ATOM 0 H ILE A 99 -0.982 24.082 -1.618 1.00 25.00 H new ATOM 0 HA ILE A 99 1.463 23.196 -3.035 1.00 25.00 H new ATOM 0 HB ILE A 99 1.391 25.352 -4.380 1.00 25.00 H new ATOM 0 HG12 ILE A 99 -1.533 25.287 -3.578 1.00 25.00 H new ATOM 0 HG13 ILE A 99 -0.356 26.333 -2.809 1.00 25.00 H new ATOM 0 HG21 ILE A 99 -0.076 24.452 -6.139 1.00 25.00 H new ATOM 0 HG22 ILE A 99 0.951 23.178 -5.440 1.00 25.00 H new ATOM 0 HG23 ILE A 99 -0.766 23.286 -4.985 1.00 25.00 H new ATOM 0 HD11 ILE A 99 -1.648 27.576 -4.520 1.00 25.00 H new ATOM 0 HD12 ILE A 99 0.065 27.485 -4.992 1.00 25.00 H new ATOM 0 HD13 ILE A 99 -1.130 26.423 -5.773 1.00 25.00 H new ATOM 1481 N THR A 100 2.766 25.149 -1.835 1.00 25.00 N ATOM 1482 CA THR A 100 3.407 26.148 -0.922 1.00 25.00 C ATOM 1483 C THR A 100 3.425 27.517 -1.561 1.00 25.00 C ATOM 1484 O THR A 100 3.843 27.600 -2.735 1.00 25.00 O ATOM 1485 CB THR A 100 4.854 25.737 -0.719 1.00 25.00 C ATOM 1486 OG1 THR A 100 4.872 24.404 -0.249 1.00 25.00 O ATOM 1487 CG2 THR A 100 5.655 26.593 0.251 1.00 25.00 C ATOM 0 H THR A 100 3.373 24.723 -2.536 1.00 25.00 H new ATOM 0 HA THR A 100 2.848 26.181 0.013 1.00 25.00 H new ATOM 0 HB THR A 100 5.334 25.864 -1.689 1.00 25.00 H new ATOM 0 HG1 THR A 100 4.428 24.359 0.624 1.00 25.00 H new ATOM 0 HG21 THR A 100 6.673 26.210 0.319 1.00 25.00 H new ATOM 0 HG22 THR A 100 5.678 27.623 -0.106 1.00 25.00 H new ATOM 0 HG23 THR A 100 5.188 26.561 1.236 1.00 25.00 H new ATOM 1495 N LYS A 101 3.053 28.615 -0.904 1.00 25.00 N ATOM 1496 CA LYS A 101 3.077 29.908 -1.544 1.00 25.00 C ATOM 1497 C LYS A 101 4.515 30.428 -1.620 1.00 25.00 C ATOM 1498 O LYS A 101 5.385 30.293 -0.668 1.00 25.00 O ATOM 1499 CB LYS A 101 2.162 30.955 -0.882 1.00 25.00 C ATOM 1500 CG LYS A 101 2.563 31.451 0.434 1.00 25.00 C ATOM 1501 CD LYS A 101 1.835 32.658 0.931 1.00 25.00 C ATOM 1502 CE LYS A 101 0.320 32.356 1.115 1.00 25.00 C ATOM 1503 NZ LYS A 101 -0.396 33.583 1.591 1.00 25.00 N1+ ATOM 0 H LYS A 101 2.735 28.625 0.065 1.00 25.00 H new ATOM 0 HA LYS A 101 2.677 29.758 -2.547 1.00 25.00 H new ATOM 0 HB2 LYS A 101 2.081 31.808 -1.555 1.00 25.00 H new ATOM 0 HB3 LYS A 101 1.165 30.525 -0.792 1.00 25.00 H new ATOM 0 HG2 LYS A 101 2.430 30.648 1.159 1.00 25.00 H new ATOM 0 HG3 LYS A 101 3.628 31.681 0.404 1.00 25.00 H new ATOM 0 HD2 LYS A 101 2.263 32.981 1.880 1.00 25.00 H new ATOM 0 HD3 LYS A 101 1.963 33.480 0.227 1.00 25.00 H new ATOM 0 HE2 LYS A 101 -0.109 32.019 0.171 1.00 25.00 H new ATOM 0 HE3 LYS A 101 0.187 31.547 1.833 1.00 25.00 H new ATOM 0 HZ1 LYS A 101 -1.407 33.371 1.711 1.00 25.00 H new ATOM 0 HZ2 LYS A 101 0.004 33.887 2.502 1.00 25.00 H new ATOM 0 HZ3 LYS A 101 -0.283 34.344 0.892 1.00 25.00 H new ATOM 1517 N LYS A 102 4.894 30.965 -2.757 1.00 25.00 N ATOM 1518 CA LYS A 102 6.201 31.676 -2.874 1.00 25.00 C ATOM 1519 C LYS A 102 5.967 33.002 -2.149 1.00 25.00 C ATOM 1520 O LYS A 102 4.850 33.349 -1.874 1.00 25.00 O ATOM 1521 CB LYS A 102 6.518 31.870 -4.346 1.00 25.00 C ATOM 1522 CG LYS A 102 7.922 32.323 -4.594 1.00 25.00 C ATOM 1523 CD LYS A 102 8.054 32.631 -6.096 1.00 25.00 C ATOM 1524 CE LYS A 102 9.454 33.062 -6.488 1.00 25.00 C ATOM 1525 NZ LYS A 102 9.451 33.238 -7.925 1.00 25.00 N1+ ATOM 0 H LYS A 102 4.345 30.939 -3.616 1.00 25.00 H new ATOM 0 HA LYS A 102 7.047 31.141 -2.443 1.00 25.00 H new ATOM 0 HB2 LYS A 102 6.348 30.932 -4.874 1.00 25.00 H new ATOM 0 HB3 LYS A 102 5.828 32.602 -4.766 1.00 25.00 H new ATOM 0 HG2 LYS A 102 8.149 33.209 -4.000 1.00 25.00 H new ATOM 0 HG3 LYS A 102 8.631 31.550 -4.298 1.00 25.00 H new ATOM 0 HD2 LYS A 102 7.778 31.746 -6.669 1.00 25.00 H new ATOM 0 HD3 LYS A 102 7.348 33.417 -6.364 1.00 25.00 H new ATOM 0 HE2 LYS A 102 9.728 33.990 -5.986 1.00 25.00 H new ATOM 0 HE3 LYS A 102 10.187 32.311 -6.192 1.00 25.00 H new ATOM 0 HZ1 LYS A 102 10.396 33.535 -8.240 1.00 25.00 H new ATOM 0 HZ2 LYS A 102 9.199 32.339 -8.384 1.00 25.00 H new ATOM 0 HZ3 LYS A 102 8.755 33.966 -8.184 1.00 25.00 H new ATOM 1539 N GLY A 103 7.022 33.736 -1.807 1.00 25.00 N ATOM 1540 CA GLY A 103 6.936 35.087 -1.326 1.00 25.00 C ATOM 1541 C GLY A 103 6.881 35.285 0.145 1.00 25.00 C ATOM 1542 O GLY A 103 6.601 36.440 0.609 1.00 25.00 O ATOM 0 H GLY A 103 7.979 33.387 -1.863 1.00 25.00 H new ATOM 0 HA2 GLY A 103 7.796 35.636 -1.708 1.00 25.00 H new ATOM 0 HA3 GLY A 103 6.047 35.544 -1.761 1.00 25.00 H new ATOM 1546 N TRP A 104 6.985 34.180 0.886 1.00 25.00 N ATOM 1547 CA TRP A 104 6.826 34.166 2.352 1.00 25.00 C ATOM 1548 C TRP A 104 7.986 34.778 3.093 1.00 25.00 C ATOM 1549 O TRP A 104 8.937 35.185 2.440 1.00 25.00 O ATOM 1550 CB TRP A 104 6.627 32.695 2.727 1.00 25.00 C ATOM 1551 CG TRP A 104 7.780 31.769 2.411 1.00 25.00 C ATOM 1552 CD1 TRP A 104 9.017 32.053 1.949 1.00 25.00 C ATOM 1553 CD2 TRP A 104 7.810 30.338 2.643 1.00 25.00 C ATOM 1554 NE1 TRP A 104 9.790 30.979 1.790 1.00 25.00 N ATOM 1555 CE2 TRP A 104 9.078 29.868 2.245 1.00 25.00 C ATOM 1556 CE3 TRP A 104 6.846 29.421 3.120 1.00 25.00 C ATOM 1557 CZ2 TRP A 104 9.381 28.555 2.200 1.00 25.00 C ATOM 1558 CZ3 TRP A 104 7.230 27.989 3.121 1.00 25.00 C ATOM 1559 CH2 TRP A 104 8.513 27.566 2.623 1.00 25.00 C ATOM 0 H TRP A 104 7.183 33.262 0.489 1.00 25.00 H new ATOM 0 HA TRP A 104 5.977 34.784 2.644 1.00 25.00 H new ATOM 0 HB2 TRP A 104 6.423 32.637 3.796 1.00 25.00 H new ATOM 0 HB3 TRP A 104 5.739 32.326 2.213 1.00 25.00 H new ATOM 0 HD1 TRP A 104 9.349 33.057 1.729 1.00 25.00 H new ATOM 0 HE1 TRP A 104 10.734 30.970 1.404 1.00 25.00 H new ATOM 0 HE3 TRP A 104 5.877 29.748 3.467 1.00 25.00 H new ATOM 0 HZ2 TRP A 104 10.347 28.262 1.816 1.00 25.00 H new ATOM 0 HZ3 TRP A 104 6.537 27.253 3.501 1.00 25.00 H new ATOM 0 HH2 TRP A 104 8.785 26.522 2.582 1.00 25.00 H new ATOM 1570 N ASP A 105 7.880 34.852 4.393 1.00 25.00 N ATOM 1571 CA ASP A 105 8.923 35.468 5.249 1.00 25.00 C ATOM 1572 C ASP A 105 8.889 34.829 6.673 1.00 25.00 C ATOM 1573 O ASP A 105 7.807 34.591 7.118 1.00 25.00 O ATOM 1574 CB ASP A 105 8.638 36.995 5.319 1.00 25.00 C ATOM 1575 CG ASP A 105 9.684 37.733 6.140 1.00 25.00 C ATOM 1576 OD1 ASP A 105 10.556 38.370 5.500 1.00 25.00 O ATOM 1577 OD2 ASP A 105 9.717 37.618 7.373 1.00 25.00 O1- ATOM 0 H ASP A 105 7.078 34.494 4.912 1.00 25.00 H new ATOM 0 HA ASP A 105 9.916 35.296 4.834 1.00 25.00 H new ATOM 0 HB2 ASP A 105 8.613 37.406 4.310 1.00 25.00 H new ATOM 0 HB3 ASP A 105 7.653 37.160 5.755 1.00 25.00 H new ATOM 1582 N PRO A 106 10.017 34.514 7.322 1.00 25.00 N ATOM 1583 CA PRO A 106 9.936 33.797 8.602 1.00 25.00 C ATOM 1584 C PRO A 106 9.342 34.526 9.788 1.00 25.00 C ATOM 1585 O PRO A 106 8.937 33.885 10.827 1.00 25.00 O ATOM 1586 CB PRO A 106 11.340 33.317 8.849 1.00 25.00 C ATOM 1587 CG PRO A 106 12.109 34.381 8.379 1.00 25.00 C ATOM 1588 CD PRO A 106 11.413 34.739 7.069 1.00 25.00 C ATOM 0 HA PRO A 106 9.202 32.996 8.508 1.00 25.00 H new ATOM 0 HB2 PRO A 106 11.522 33.120 9.906 1.00 25.00 H new ATOM 0 HB3 PRO A 106 11.554 32.393 8.311 1.00 25.00 H new ATOM 0 HG2 PRO A 106 12.114 35.218 9.078 1.00 25.00 H new ATOM 0 HG3 PRO A 106 13.148 34.092 8.221 1.00 25.00 H new ATOM 0 HD2 PRO A 106 11.603 35.776 6.791 1.00 25.00 H new ATOM 0 HD3 PRO A 106 11.771 34.118 6.248 1.00 25.00 H new ATOM 1596 N ASP A 107 9.305 35.849 9.796 1.00 25.00 N ATOM 1597 CA ASP A 107 8.578 36.571 10.876 1.00 25.00 C ATOM 1598 C ASP A 107 7.022 36.549 10.694 1.00 25.00 C ATOM 1599 O ASP A 107 6.278 37.228 11.405 1.00 25.00 O ATOM 1600 CB ASP A 107 8.971 38.055 10.929 1.00 25.00 C ATOM 1601 CG ASP A 107 8.487 38.721 12.226 1.00 25.00 C ATOM 1602 OD1 ASP A 107 7.908 39.811 12.219 1.00 75.00 O ATOM 1603 OD2 ASP A 107 8.777 38.142 13.244 1.00 75.00 O1- ATOM 0 H ASP A 107 9.749 36.447 9.099 1.00 25.00 H new ATOM 0 HA ASP A 107 8.859 36.044 11.788 1.00 25.00 H new ATOM 0 HB2 ASP A 107 10.054 38.148 10.854 1.00 25.00 H new ATOM 0 HB3 ASP A 107 8.546 38.576 10.071 1.00 25.00 H new ATOM 1608 N LYS A 108 6.575 35.849 9.661 1.00 25.00 N ATOM 1609 CA LYS A 108 5.174 35.834 9.160 1.00 25.00 C ATOM 1610 C LYS A 108 4.917 34.330 9.088 1.00 25.00 C ATOM 1611 O LYS A 108 5.841 33.543 9.346 1.00 25.00 O ATOM 1612 CB LYS A 108 5.144 36.565 7.811 1.00 25.00 C ATOM 1613 CG LYS A 108 5.167 38.127 8.029 1.00 25.00 C ATOM 1614 CD LYS A 108 5.036 38.883 6.782 1.00 25.00 C ATOM 1615 CE LYS A 108 5.191 40.426 7.087 1.00 25.00 C ATOM 1616 NZ LYS A 108 4.225 40.990 8.088 1.00 25.00 N1+ ATOM 0 H LYS A 108 7.190 35.246 9.115 1.00 25.00 H new ATOM 0 HA LYS A 108 4.412 36.337 9.756 1.00 25.00 H new ATOM 0 HB2 LYS A 108 6.000 36.263 7.208 1.00 25.00 H new ATOM 0 HB3 LYS A 108 4.249 36.282 7.257 1.00 25.00 H new ATOM 0 HG2 LYS A 108 4.357 38.406 8.703 1.00 25.00 H new ATOM 0 HG3 LYS A 108 6.100 38.406 8.520 1.00 25.00 H new ATOM 0 HD2 LYS A 108 5.796 38.564 6.068 1.00 25.00 H new ATOM 0 HD3 LYS A 108 4.066 38.687 6.325 1.00 25.00 H new ATOM 0 HE2 LYS A 108 6.204 40.607 7.445 1.00 25.00 H new ATOM 0 HE3 LYS A 108 5.080 40.976 6.152 1.00 25.00 H new ATOM 0 HZ1 LYS A 108 4.366 42.017 8.166 1.00 25.00 H new ATOM 0 HZ2 LYS A 108 3.251 40.796 7.778 1.00 25.00 H new ATOM 0 HZ3 LYS A 108 4.388 40.547 9.015 1.00 25.00 H new ATOM 1630 N PRO A 109 3.651 33.871 8.774 1.00 25.00 N ATOM 1631 CA PRO A 109 3.337 32.452 8.693 1.00 25.00 C ATOM 1632 C PRO A 109 4.131 31.473 7.757 1.00 25.00 C ATOM 1633 O PRO A 109 3.574 30.453 7.396 1.00 25.00 O ATOM 1634 CB PRO A 109 1.881 32.473 8.161 1.00 25.00 C ATOM 1635 CG PRO A 109 1.312 33.608 8.706 1.00 25.00 C ATOM 1636 CD PRO A 109 2.407 34.638 8.551 1.00 25.00 C ATOM 0 HA PRO A 109 3.579 32.046 9.675 1.00 25.00 H new ATOM 0 HB2 PRO A 109 1.860 32.506 7.072 1.00 25.00 H new ATOM 0 HB3 PRO A 109 1.339 31.577 8.463 1.00 25.00 H new ATOM 0 HG2 PRO A 109 0.405 33.900 8.177 1.00 25.00 H new ATOM 0 HG3 PRO A 109 1.039 33.462 9.751 1.00 25.00 H new ATOM 0 HD2 PRO A 109 2.390 35.093 7.561 1.00 25.00 H new ATOM 0 HD3 PRO A 109 2.301 35.446 9.275 1.00 25.00 H new ATOM 1644 N LEU A 110 5.341 31.768 7.343 1.00 25.00 N ATOM 1645 CA LEU A 110 6.169 30.849 6.529 1.00 25.00 C ATOM 1646 C LEU A 110 6.097 29.325 6.892 1.00 25.00 C ATOM 1647 O LEU A 110 5.947 28.447 6.035 1.00 25.00 O ATOM 1648 CB LEU A 110 7.575 31.378 6.543 1.00 25.00 C ATOM 1649 CG LEU A 110 8.813 30.551 6.179 1.00 25.00 C ATOM 1650 CD1 LEU A 110 9.979 31.269 5.534 1.00 50.00 C ATOM 1651 CD2 LEU A 110 9.285 29.718 7.353 1.00 50.00 C ATOM 0 H LEU A 110 5.800 32.654 7.552 1.00 25.00 H new ATOM 0 HA LEU A 110 5.748 30.848 5.524 1.00 25.00 H new ATOM 0 HB2 LEU A 110 7.581 32.241 5.877 1.00 25.00 H new ATOM 0 HB3 LEU A 110 7.747 31.753 7.552 1.00 25.00 H new ATOM 0 HG LEU A 110 8.438 29.916 5.377 1.00 25.00 H new ATOM 0 HD11 LEU A 110 10.780 30.557 5.334 1.00 50.00 H new ATOM 0 HD12 LEU A 110 9.654 31.722 4.597 1.00 50.00 H new ATOM 0 HD13 LEU A 110 10.344 32.046 6.205 1.00 50.00 H new ATOM 0 HD21 LEU A 110 10.164 29.144 7.061 1.00 50.00 H new ATOM 0 HD22 LEU A 110 9.540 30.374 8.185 1.00 50.00 H new ATOM 0 HD23 LEU A 110 8.491 29.036 7.658 1.00 50.00 H new ATOM 1663 N LYS A 111 5.930 29.028 8.169 1.00 25.00 N ATOM 1664 CA LYS A 111 5.769 27.639 8.676 1.00 25.00 C ATOM 1665 C LYS A 111 4.319 27.057 8.673 1.00 25.00 C ATOM 1666 O LYS A 111 4.124 25.891 8.963 1.00 25.00 O ATOM 1667 CB LYS A 111 6.230 27.623 10.165 1.00 25.00 C ATOM 1668 CG LYS A 111 7.699 27.870 10.395 1.00 25.00 C ATOM 1669 CD LYS A 111 8.051 27.824 11.864 1.00 25.00 C ATOM 1670 CE LYS A 111 7.633 29.097 12.591 1.00 25.00 C ATOM 1671 NZ LYS A 111 8.061 29.123 14.060 1.00 25.00 N1+ ATOM 0 H LYS A 111 5.899 29.735 8.904 1.00 25.00 H new ATOM 0 HA LYS A 111 6.354 27.024 7.992 1.00 25.00 H new ATOM 0 HB2 LYS A 111 5.663 28.378 10.710 1.00 25.00 H new ATOM 0 HB3 LYS A 111 5.971 26.656 10.597 1.00 25.00 H new ATOM 0 HG2 LYS A 111 8.282 27.122 9.858 1.00 25.00 H new ATOM 0 HG3 LYS A 111 7.973 28.842 9.986 1.00 25.00 H new ATOM 0 HD2 LYS A 111 7.564 26.966 12.327 1.00 25.00 H new ATOM 0 HD3 LYS A 111 9.126 27.679 11.975 1.00 25.00 H new ATOM 0 HE2 LYS A 111 8.063 29.958 12.079 1.00 25.00 H new ATOM 0 HE3 LYS A 111 6.549 29.201 12.533 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 7.747 30.013 14.497 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 7.630 28.320 14.561 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 9.097 29.053 14.121 1.00 25.00 H new ATOM 1685 N ARG A 112 3.326 27.872 8.327 1.00 25.00 N ATOM 1686 CA ARG A 112 1.918 27.499 8.236 1.00 25.00 C ATOM 1687 C ARG A 112 1.432 27.632 6.795 1.00 25.00 C ATOM 1688 O ARG A 112 0.714 26.808 6.242 1.00 25.00 O ATOM 1689 CB ARG A 112 1.178 28.388 9.146 1.00 25.00 C ATOM 1690 CG ARG A 112 -0.272 27.990 9.319 1.00 25.00 C ATOM 1691 CD ARG A 112 -1.003 29.028 10.042 1.00 25.00 C ATOM 1692 NE ARG A 112 -2.328 28.557 10.571 1.00 25.00 N ATOM 1693 CZ ARG A 112 -3.181 29.235 11.327 1.00 25.00 C ATOM 1694 NH1 ARG A 112 -4.248 28.557 11.590 1.00 25.00 N1+ ATOM 1695 NH2 ARG A 112 -3.043 30.438 11.826 1.00 25.00 N ATOM 0 H ARG A 112 3.488 28.851 8.093 1.00 25.00 H new ATOM 0 HA ARG A 112 1.760 26.460 8.525 1.00 25.00 H new ATOM 0 HB2 ARG A 112 1.667 28.389 10.120 1.00 25.00 H new ATOM 0 HB3 ARG A 112 1.225 29.408 8.765 1.00 25.00 H new ATOM 0 HG2 ARG A 112 -0.730 27.827 8.343 1.00 25.00 H new ATOM 0 HG3 ARG A 112 -0.334 27.047 9.862 1.00 25.00 H new ATOM 0 HD2 ARG A 112 -0.392 29.382 10.872 1.00 25.00 H new ATOM 0 HD3 ARG A 112 -1.165 29.878 9.380 1.00 25.00 H new ATOM 0 HE ARG A 112 -2.603 27.607 10.320 1.00 25.00 H new ATOM 0 HH11 ARG A 112 -4.354 27.611 11.223 1.00 25.00 H new ATOM 0 HH12 ARG A 112 -4.984 28.967 12.164 1.00 25.00 H new ATOM 0 HH21 ARG A 112 -2.192 30.971 11.644 1.00 25.00 H new ATOM 0 HH22 ARG A 112 -3.786 30.842 12.396 1.00 25.00 H new ATOM 1709 N ALA A 113 1.849 28.719 6.208 1.00 25.00 N ATOM 1710 CA ALA A 113 1.662 28.918 4.727 1.00 25.00 C ATOM 1711 C ALA A 113 2.515 27.963 3.885 1.00 25.00 C ATOM 1712 O ALA A 113 2.582 28.137 2.646 1.00 25.00 O ATOM 1713 CB ALA A 113 1.920 30.338 4.339 1.00 25.00 C ATOM 0 H ALA A 113 2.316 29.489 6.687 1.00 25.00 H new ATOM 0 HA ALA A 113 0.620 28.680 4.514 1.00 25.00 H new ATOM 0 HB1 ALA A 113 1.778 30.453 3.264 1.00 25.00 H new ATOM 0 HB2 ALA A 113 1.227 30.992 4.869 1.00 25.00 H new ATOM 0 HB3 ALA A 113 2.944 30.606 4.600 1.00 25.00 H new ATOM 1719 N ASP A 114 3.240 27.009 4.547 1.00 25.00 N ATOM 1720 CA ASP A 114 3.963 25.984 3.779 1.00 25.00 C ATOM 1721 C ASP A 114 2.954 25.034 3.158 1.00 25.00 C ATOM 1722 O ASP A 114 3.238 24.340 2.167 1.00 25.00 O ATOM 1723 CB ASP A 114 4.775 25.193 4.798 1.00 25.00 C ATOM 1724 CG ASP A 114 5.751 24.176 4.110 1.00 25.00 C ATOM 1725 OD1 ASP A 114 6.373 24.541 3.099 1.00 25.00 O ATOM 1726 OD2 ASP A 114 5.953 23.037 4.590 1.00 25.00 O1- ATOM 0 H ASP A 114 3.329 26.940 5.561 1.00 25.00 H new ATOM 0 HA ASP A 114 4.583 26.429 3.001 1.00 25.00 H new ATOM 0 HB2 ASP A 114 5.348 25.882 5.419 1.00 25.00 H new ATOM 0 HB3 ASP A 114 4.098 24.654 5.461 1.00 25.00 H new ATOM 1731 N PHE A 115 1.701 25.093 3.650 1.00 25.00 N ATOM 1732 CA PHE A 115 0.618 24.318 3.135 1.00 25.00 C ATOM 1733 C PHE A 115 -0.553 25.297 2.878 1.00 25.00 C ATOM 1734 O PHE A 115 -1.262 25.711 3.840 1.00 25.00 O ATOM 1735 CB PHE A 115 0.097 23.194 4.047 1.00 25.00 C ATOM 1736 CG PHE A 115 1.135 22.075 4.306 1.00 25.00 C ATOM 1737 CD1 PHE A 115 2.013 22.220 5.371 1.00 50.00 C ATOM 1738 CD2 PHE A 115 1.119 20.880 3.582 1.00 50.00 C ATOM 1739 CE1 PHE A 115 2.853 21.175 5.748 1.00 25.00 C ATOM 1740 CE2 PHE A 115 1.906 19.778 3.980 1.00 25.00 C ATOM 1741 CZ PHE A 115 2.815 19.972 5.131 1.00 25.00 C ATOM 0 H PHE A 115 1.437 25.698 4.428 1.00 25.00 H new ATOM 0 HA PHE A 115 0.998 23.816 2.246 1.00 25.00 H new ATOM 0 HB2 PHE A 115 -0.208 23.624 5.001 1.00 25.00 H new ATOM 0 HB3 PHE A 115 -0.793 22.755 3.596 1.00 25.00 H new ATOM 0 HD1 PHE A 115 2.045 23.153 5.913 1.00 50.00 H new ATOM 0 HD2 PHE A 115 0.495 20.798 2.704 1.00 50.00 H new ATOM 0 HE1 PHE A 115 3.554 21.329 6.555 1.00 25.00 H new ATOM 0 HE2 PHE A 115 1.847 18.831 3.465 1.00 25.00 H new ATOM 0 HZ PHE A 115 3.441 19.162 5.475 1.00 25.00 H new ATOM 1751 N GLU A 116 -0.874 25.633 1.641 1.00 25.00 N ATOM 1752 CA GLU A 116 -2.145 26.302 1.245 1.00 25.00 C ATOM 1753 C GLU A 116 -2.924 25.251 0.509 1.00 25.00 C ATOM 1754 O GLU A 116 -2.438 24.672 -0.475 1.00 25.00 O ATOM 1755 CB GLU A 116 -1.808 27.400 0.304 1.00 25.00 C ATOM 1756 CG GLU A 116 -1.234 28.609 0.921 1.00 25.00 C ATOM 1757 CD GLU A 116 -2.109 29.168 2.057 1.00 25.00 C ATOM 1758 OE1 GLU A 116 -3.323 29.166 1.965 1.00 25.00 O ATOM 1759 OE2 GLU A 116 -1.505 29.550 3.098 1.00 25.00 O1- ATOM 0 H GLU A 116 -0.257 25.453 0.849 1.00 25.00 H new ATOM 0 HA GLU A 116 -2.699 26.706 2.092 1.00 25.00 H new ATOM 0 HB2 GLU A 116 -1.102 27.019 -0.434 1.00 25.00 H new ATOM 0 HB3 GLU A 116 -2.712 27.683 -0.236 1.00 25.00 H new ATOM 0 HG2 GLU A 116 -0.243 28.377 1.311 1.00 25.00 H new ATOM 0 HG3 GLU A 116 -1.104 29.375 0.157 1.00 25.00 H new ATOM 1766 N LEU A 117 -4.129 24.889 0.983 1.00 25.00 N ATOM 1767 CA LEU A 117 -4.867 23.806 0.314 1.00 25.00 C ATOM 1768 C LEU A 117 -5.275 24.275 -1.083 1.00 25.00 C ATOM 1769 O LEU A 117 -5.876 25.367 -1.152 1.00 25.00 O ATOM 1770 CB LEU A 117 -6.141 23.489 1.111 1.00 25.00 C ATOM 1771 CG LEU A 117 -7.069 22.307 0.792 1.00 25.00 C ATOM 1772 CD1 LEU A 117 -6.333 21.034 1.265 1.00 50.00 C ATOM 1773 CD2 LEU A 117 -8.467 22.473 1.342 1.00 50.00 C ATOM 0 H LEU A 117 -4.595 25.308 1.788 1.00 25.00 H new ATOM 0 HA LEU A 117 -4.236 22.919 0.250 1.00 25.00 H new ATOM 0 HB2 LEU A 117 -5.831 23.364 2.148 1.00 25.00 H new ATOM 0 HB3 LEU A 117 -6.760 24.385 1.069 1.00 25.00 H new ATOM 0 HG LEU A 117 -7.259 22.240 -0.279 1.00 25.00 H new ATOM 0 HD11 LEU A 117 -6.951 20.160 1.061 1.00 50.00 H new ATOM 0 HD12 LEU A 117 -5.387 20.942 0.732 1.00 50.00 H new ATOM 0 HD13 LEU A 117 -6.141 21.101 2.336 1.00 50.00 H new ATOM 0 HD21 LEU A 117 -9.067 21.602 1.079 1.00 50.00 H new ATOM 0 HD22 LEU A 117 -8.422 22.569 2.427 1.00 50.00 H new ATOM 0 HD23 LEU A 117 -8.921 23.368 0.917 1.00 50.00 H new ATOM 1785 N ILE A 118 -5.114 23.404 -2.133 1.00 25.00 N ATOM 1786 CA ILE A 118 -5.665 23.718 -3.456 1.00 25.00 C ATOM 1787 C ILE A 118 -6.838 22.779 -3.767 1.00 25.00 C ATOM 1788 O ILE A 118 -7.725 22.984 -4.592 1.00 25.00 O ATOM 1789 CB ILE A 118 -4.493 23.729 -4.484 1.00 25.00 C ATOM 1790 CG1 ILE A 118 -4.929 24.093 -5.915 1.00 25.00 C ATOM 1791 CG2 ILE A 118 -3.648 22.497 -4.451 1.00 25.00 C ATOM 1792 CD1 ILE A 118 -5.617 25.517 -6.186 1.00 25.00 C ATOM 0 H ILE A 118 -4.621 22.513 -2.074 1.00 25.00 H new ATOM 0 HA ILE A 118 -6.106 24.714 -3.504 1.00 25.00 H new ATOM 0 HB ILE A 118 -3.851 24.542 -4.145 1.00 25.00 H new ATOM 0 HG12 ILE A 118 -4.048 24.028 -6.553 1.00 25.00 H new ATOM 0 HG13 ILE A 118 -5.624 23.324 -6.252 1.00 25.00 H new ATOM 0 HG21 ILE A 118 -2.855 22.580 -5.194 1.00 25.00 H new ATOM 0 HG22 ILE A 118 -3.207 22.385 -3.460 1.00 25.00 H new ATOM 0 HG23 ILE A 118 -4.265 21.627 -4.674 1.00 25.00 H new ATOM 0 HD11 ILE A 118 -5.860 25.608 -7.245 1.00 25.00 H new ATOM 0 HD12 ILE A 118 -6.530 25.598 -5.596 1.00 25.00 H new ATOM 0 HD13 ILE A 118 -4.929 26.313 -5.902 1.00 25.00 H new ATOM 1804 N GLY A 119 -6.892 21.665 -3.051 1.00 25.00 N ATOM 1805 CA GLY A 119 -7.957 20.706 -3.231 1.00 25.00 C ATOM 1806 C GLY A 119 -7.966 19.580 -2.222 1.00 25.00 C ATOM 1807 O GLY A 119 -6.882 19.191 -1.782 1.00 25.00 O ATOM 0 H GLY A 119 -6.207 21.408 -2.340 1.00 25.00 H new ATOM 0 HA2 GLY A 119 -8.912 21.229 -3.181 1.00 25.00 H new ATOM 0 HA3 GLY A 119 -7.879 20.280 -4.231 1.00 25.00 H new ATOM 1811 N ALA A 120 -9.129 19.033 -1.925 1.00 25.00 N ATOM 1812 CA ALA A 120 -9.262 17.960 -0.983 1.00 25.00 C ATOM 1813 C ALA A 120 -10.408 17.155 -1.690 1.00 25.00 C ATOM 1814 O ALA A 120 -11.239 17.831 -2.277 1.00 25.00 O ATOM 1815 CB ALA A 120 -9.873 18.478 0.360 1.00 25.00 C ATOM 0 H ALA A 120 -10.012 19.331 -2.340 1.00 25.00 H new ATOM 0 HA ALA A 120 -8.328 17.446 -0.757 1.00 25.00 H new ATOM 0 HB1 ALA A 120 -9.966 17.649 1.061 1.00 25.00 H new ATOM 0 HB2 ALA A 120 -9.222 19.242 0.785 1.00 25.00 H new ATOM 0 HB3 ALA A 120 -10.858 18.905 0.171 1.00 25.00 H new ATOM 1821 N VAL A 121 -10.324 15.832 -1.664 1.00 25.00 N ATOM 1822 CA VAL A 121 -11.300 14.925 -2.277 1.00 25.00 C ATOM 1823 C VAL A 121 -11.533 13.895 -1.216 1.00 25.00 C ATOM 1824 O VAL A 121 -10.672 13.087 -0.913 1.00 25.00 O ATOM 1825 CB VAL A 121 -10.867 14.399 -3.662 1.00 25.00 C ATOM 1826 CG1 VAL A 121 -11.930 13.467 -4.290 1.00 50.00 C ATOM 1827 CG2 VAL A 121 -10.521 15.535 -4.639 1.00 50.00 C ATOM 0 H VAL A 121 -9.557 15.341 -1.205 1.00 25.00 H new ATOM 0 HA VAL A 121 -12.237 15.411 -2.549 1.00 25.00 H new ATOM 0 HB VAL A 121 -9.962 13.818 -3.487 1.00 25.00 H new ATOM 0 HG11 VAL A 121 -11.582 13.122 -5.263 1.00 50.00 H new ATOM 0 HG12 VAL A 121 -12.093 12.609 -3.638 1.00 50.00 H new ATOM 0 HG13 VAL A 121 -12.866 14.013 -4.412 1.00 50.00 H new ATOM 0 HG21 VAL A 121 -10.223 15.112 -5.598 1.00 50.00 H new ATOM 0 HG22 VAL A 121 -11.394 16.173 -4.779 1.00 50.00 H new ATOM 0 HG23 VAL A 121 -9.701 16.127 -4.233 1.00 50.00 H new ATOM 1837 N PRO A 122 -12.710 13.989 -0.550 1.00 25.00 N ATOM 1838 CA PRO A 122 -12.947 12.766 0.212 1.00 25.00 C ATOM 1839 C PRO A 122 -13.159 11.579 -0.685 1.00 25.00 C ATOM 1840 O PRO A 122 -13.328 11.704 -1.870 1.00 25.00 O ATOM 1841 CB PRO A 122 -14.143 13.138 1.111 1.00 25.00 C ATOM 1842 CG PRO A 122 -14.899 14.084 0.133 1.00 25.00 C ATOM 1843 CD PRO A 122 -13.834 14.938 -0.474 1.00 25.00 C ATOM 0 HA PRO A 122 -12.099 12.441 0.814 1.00 25.00 H new ATOM 0 HB2 PRO A 122 -14.737 12.271 1.402 1.00 25.00 H new ATOM 0 HB3 PRO A 122 -13.839 13.639 2.030 1.00 25.00 H new ATOM 0 HG2 PRO A 122 -15.434 13.518 -0.629 1.00 25.00 H new ATOM 0 HG3 PRO A 122 -15.638 14.688 0.659 1.00 25.00 H new ATOM 0 HD2 PRO A 122 -14.120 15.316 -1.456 1.00 25.00 H new ATOM 0 HD3 PRO A 122 -13.599 15.804 0.145 1.00 25.00 H new ATOM 1851 N HIS A 123 -13.134 10.375 -0.185 1.00 25.00 N ATOM 1852 CA HIS A 123 -13.427 9.187 -0.966 1.00 25.00 C ATOM 1853 C HIS A 123 -14.168 8.140 -0.146 1.00 25.00 C ATOM 1854 O HIS A 123 -13.563 7.197 0.376 1.00 25.00 O ATOM 1855 CB HIS A 123 -12.097 8.579 -1.506 1.00 25.00 C ATOM 1856 CG HIS A 123 -12.252 7.599 -2.634 1.00 25.00 C ATOM 1857 ND1 HIS A 123 -12.580 7.965 -3.934 1.00 25.00 N ATOM 1858 CD2 HIS A 123 -12.178 6.218 -2.684 1.00 25.00 C ATOM 1859 CE1 HIS A 123 -12.676 6.888 -4.707 1.00 25.00 C ATOM 1860 NE2 HIS A 123 -12.398 5.819 -3.980 1.00 25.00 N ATOM 0 H HIS A 123 -12.907 10.180 0.790 1.00 25.00 H new ATOM 0 HA HIS A 123 -14.072 9.481 -1.794 1.00 25.00 H new ATOM 0 HB2 HIS A 123 -11.453 9.393 -1.839 1.00 25.00 H new ATOM 0 HB3 HIS A 123 -11.583 8.083 -0.683 1.00 25.00 H new ATOM 0 HD1 HIS A 123 -12.726 8.924 -4.250 1.00 25.00 H new ATOM 0 HD2 HIS A 123 -11.981 5.565 -1.847 1.00 25.00 H new ATOM 0 HE1 HIS A 123 -12.938 6.886 -5.755 1.00 25.00 H new ATOM 1868 N ASP A 124 -15.488 8.236 -0.008 1.00 25.00 N ATOM 1869 CA ASP A 124 -16.294 7.223 0.648 1.00 25.00 C ATOM 1870 C ASP A 124 -16.659 6.064 -0.266 1.00 25.00 C ATOM 1871 O ASP A 124 -16.955 4.991 0.103 1.00 25.00 O ATOM 1872 CB ASP A 124 -17.606 7.859 1.204 1.00 25.00 C ATOM 1873 CG ASP A 124 -18.642 8.153 0.112 1.00 25.00 C ATOM 1874 OD1 ASP A 124 -19.707 7.503 0.122 1.00 50.00 O ATOM 1875 OD2 ASP A 124 -18.453 9.104 -0.745 1.00 50.00 O1- ATOM 0 H ASP A 124 -16.029 9.029 -0.354 1.00 25.00 H new ATOM 0 HA ASP A 124 -15.683 6.824 1.458 1.00 25.00 H new ATOM 0 HB2 ASP A 124 -18.045 7.186 1.941 1.00 25.00 H new ATOM 0 HB3 ASP A 124 -17.362 8.786 1.724 1.00 25.00 H new ATOM 1880 N GLY A 125 -16.505 6.360 -1.516 1.00 25.00 N ATOM 1881 CA GLY A 125 -16.770 5.470 -2.625 1.00 25.00 C ATOM 1882 C GLY A 125 -16.356 6.282 -3.841 1.00 25.00 C ATOM 1883 O GLY A 125 -15.745 7.337 -3.674 1.00 25.00 O ATOM 0 H GLY A 125 -16.173 7.276 -1.818 1.00 25.00 H new ATOM 0 HA2 GLY A 125 -16.196 4.547 -2.545 1.00 25.00 H new ATOM 0 HA3 GLY A 125 -17.822 5.188 -2.670 1.00 25.00 H new ATOM 1887 N SER A 126 -16.662 5.895 -5.068 1.00 25.00 N ATOM 1888 CA SER A 126 -16.238 6.729 -6.196 1.00 25.00 C ATOM 1889 C SER A 126 -17.335 7.052 -7.173 1.00 25.00 C ATOM 1890 O SER A 126 -17.330 6.574 -8.253 1.00 25.00 O ATOM 1891 CB SER A 126 -15.075 6.186 -7.013 1.00 25.00 C ATOM 1892 OG SER A 126 -14.378 7.376 -7.457 1.00 25.00 O ATOM 0 H SER A 126 -17.178 5.049 -5.310 1.00 25.00 H new ATOM 0 HA SER A 126 -15.917 7.628 -5.669 1.00 25.00 H new ATOM 0 HB2 SER A 126 -14.429 5.545 -6.413 1.00 25.00 H new ATOM 0 HB3 SER A 126 -15.423 5.588 -7.856 1.00 25.00 H new ATOM 0 HG SER A 126 -14.621 7.570 -8.386 1.00 25.00 H new ATOM 1898 N PRO A 127 -18.278 7.904 -6.764 1.00 25.00 N ATOM 1899 CA PRO A 127 -18.922 8.587 -7.924 1.00 25.00 C ATOM 1900 C PRO A 127 -17.946 9.518 -8.616 1.00 25.00 C ATOM 1901 O PRO A 127 -16.804 9.661 -8.042 1.00 25.00 O ATOM 1902 CB PRO A 127 -20.160 9.305 -7.295 1.00 25.00 C ATOM 1903 CG PRO A 127 -19.712 9.672 -5.962 1.00 25.00 C ATOM 1904 CD PRO A 127 -18.743 8.566 -5.549 1.00 25.00 C ATOM 0 HA PRO A 127 -19.234 7.910 -8.719 1.00 25.00 H new ATOM 0 HB2 PRO A 127 -20.450 10.182 -7.874 1.00 25.00 H new ATOM 0 HB3 PRO A 127 -21.027 8.646 -7.258 1.00 25.00 H new ATOM 0 HG2 PRO A 127 -19.221 10.645 -5.965 1.00 25.00 H new ATOM 0 HG3 PRO A 127 -20.551 9.740 -5.269 1.00 25.00 H new ATOM 0 HD2 PRO A 127 -17.902 8.982 -4.995 1.00 25.00 H new ATOM 0 HD3 PRO A 127 -19.237 7.852 -4.890 1.00 25.00 H new ATOM 1912 N ALA A 128 -18.283 10.112 -9.788 1.00 25.00 N ATOM 1913 CA ALA A 128 -17.294 10.930 -10.512 1.00 25.00 C ATOM 1914 C ALA A 128 -16.707 12.071 -9.673 1.00 25.00 C ATOM 1915 O ALA A 128 -15.490 12.278 -9.798 1.00 25.00 O ATOM 1916 CB ALA A 128 -17.888 11.460 -11.726 1.00 25.00 C ATOM 0 H ALA A 128 -19.198 10.042 -10.234 1.00 25.00 H new ATOM 0 HA ALA A 128 -16.462 10.269 -10.753 1.00 25.00 H new ATOM 0 HB1 ALA A 128 -17.152 12.064 -12.257 1.00 25.00 H new ATOM 0 HB2 ALA A 128 -18.210 10.636 -12.363 1.00 25.00 H new ATOM 0 HB3 ALA A 128 -18.748 12.078 -11.470 1.00 25.00 H new ATOM 1922 N SER A 129 -17.528 12.643 -8.838 1.00 25.00 N ATOM 1923 CA SER A 129 -17.086 13.665 -7.908 1.00 25.00 C ATOM 1924 C SER A 129 -15.996 13.246 -6.933 1.00 25.00 C ATOM 1925 O SER A 129 -15.240 14.154 -6.400 1.00 25.00 O ATOM 1926 CB SER A 129 -18.337 14.141 -7.187 1.00 25.00 C ATOM 1927 OG SER A 129 -18.910 13.079 -6.408 1.00 25.00 O ATOM 0 H SER A 129 -18.522 12.421 -8.776 1.00 25.00 H new ATOM 0 HA SER A 129 -16.597 14.459 -8.472 1.00 25.00 H new ATOM 0 HB2 SER A 129 -18.091 14.982 -6.539 1.00 25.00 H new ATOM 0 HB3 SER A 129 -19.066 14.500 -7.913 1.00 25.00 H new ATOM 0 HG SER A 129 -19.713 13.405 -5.950 1.00 25.00 H new ATOM 1933 N ARG A 130 -15.798 11.962 -6.690 1.00 25.00 N ATOM 1934 CA ARG A 130 -14.650 11.514 -5.838 1.00 25.00 C ATOM 1935 C ARG A 130 -13.456 10.876 -6.507 1.00 25.00 C ATOM 1936 O ARG A 130 -12.602 10.324 -5.840 1.00 25.00 O ATOM 1937 CB ARG A 130 -15.150 10.596 -4.749 1.00 25.00 C ATOM 1938 CG ARG A 130 -16.403 11.151 -4.019 1.00 25.00 C ATOM 1939 CD ARG A 130 -16.326 12.555 -3.442 1.00 25.00 C ATOM 1940 NE ARG A 130 -17.558 12.948 -2.828 1.00 25.00 N ATOM 1941 CZ ARG A 130 -17.897 14.166 -2.413 1.00 25.00 C ATOM 1942 NH1 ARG A 130 -18.955 14.318 -1.703 1.00 25.00 N1+ ATOM 1943 NH2 ARG A 130 -17.180 15.227 -2.678 1.00 25.00 N ATOM 0 H ARG A 130 -16.386 11.209 -7.048 1.00 25.00 H new ATOM 0 HA ARG A 130 -14.254 12.458 -5.463 1.00 25.00 H new ATOM 0 HB2 ARG A 130 -15.388 9.624 -5.181 1.00 25.00 H new ATOM 0 HB3 ARG A 130 -14.354 10.435 -4.022 1.00 25.00 H new ATOM 0 HG2 ARG A 130 -17.238 11.122 -4.719 1.00 25.00 H new ATOM 0 HG3 ARG A 130 -16.646 10.468 -3.205 1.00 25.00 H new ATOM 0 HD2 ARG A 130 -15.523 12.602 -2.707 1.00 25.00 H new ATOM 0 HD3 ARG A 130 -16.074 13.260 -4.234 1.00 25.00 H new ATOM 0 HE ARG A 130 -18.253 12.213 -2.694 1.00 25.00 H new ATOM 0 HH11 ARG A 130 -19.528 13.509 -1.462 1.00 25.00 H new ATOM 0 HH12 ARG A 130 -19.223 15.248 -1.380 1.00 25.00 H new ATOM 0 HH21 ARG A 130 -16.322 15.140 -3.223 1.00 25.00 H new ATOM 0 HH22 ARG A 130 -17.478 16.142 -2.339 1.00 25.00 H new ATOM 1957 N ASN A 131 -13.405 10.892 -7.843 1.00 25.00 N ATOM 1958 CA ASN A 131 -12.387 10.169 -8.639 1.00 25.00 C ATOM 1959 C ASN A 131 -10.992 10.648 -8.299 1.00 25.00 C ATOM 1960 O ASN A 131 -10.668 11.827 -8.042 1.00 25.00 O ATOM 1961 CB ASN A 131 -12.505 10.331 -10.150 1.00 25.00 C ATOM 1962 CG ASN A 131 -13.733 9.578 -10.705 1.00 25.00 C ATOM 1963 OD1 ASN A 131 -14.377 8.769 -10.045 1.00 25.00 O ATOM 1964 ND2 ASN A 131 -14.019 9.835 -11.939 1.00 25.00 N ATOM 0 H ASN A 131 -14.072 11.410 -8.415 1.00 25.00 H new ATOM 0 HA ASN A 131 -12.566 9.126 -8.377 1.00 25.00 H new ATOM 0 HB2 ASN A 131 -12.583 11.389 -10.399 1.00 25.00 H new ATOM 0 HB3 ASN A 131 -11.600 9.957 -10.629 1.00 25.00 H new ATOM 0 HD21 ASN A 131 -14.800 9.360 -12.391 1.00 25.00 H new ATOM 0 HD22 ASN A 131 -13.464 10.513 -12.461 1.00 25.00 H new ATOM 1971 N LEU A 132 -10.042 9.701 -8.487 1.00 25.00 N ATOM 1972 CA LEU A 132 -8.634 9.914 -8.250 1.00 25.00 C ATOM 1973 C LEU A 132 -7.971 10.921 -9.203 1.00 25.00 C ATOM 1974 O LEU A 132 -6.991 11.613 -8.819 1.00 25.00 O ATOM 1975 CB LEU A 132 -7.867 8.585 -8.403 1.00 25.00 C ATOM 1976 CG LEU A 132 -7.459 7.799 -7.209 1.00 25.00 C ATOM 1977 CD1 LEU A 132 -6.649 6.532 -7.648 1.00 75.00 C ATOM 1978 CD2 LEU A 132 -6.474 8.496 -6.155 1.00 75.00 C ATOM 0 H LEU A 132 -10.258 8.759 -8.813 1.00 25.00 H new ATOM 0 HA LEU A 132 -8.581 10.319 -7.239 1.00 25.00 H new ATOM 0 HB2 LEU A 132 -8.481 7.931 -9.022 1.00 25.00 H new ATOM 0 HB3 LEU A 132 -6.961 8.802 -8.969 1.00 25.00 H new ATOM 0 HG LEU A 132 -8.423 7.625 -6.731 1.00 25.00 H new ATOM 0 HD11 LEU A 132 -6.355 5.964 -6.765 1.00 75.00 H new ATOM 0 HD12 LEU A 132 -7.270 5.908 -8.291 1.00 75.00 H new ATOM 0 HD13 LEU A 132 -5.757 6.841 -8.194 1.00 75.00 H new ATOM 0 HD21 LEU A 132 -6.265 7.804 -5.339 1.00 75.00 H new ATOM 0 HD22 LEU A 132 -5.541 8.764 -6.651 1.00 75.00 H new ATOM 0 HD23 LEU A 132 -6.945 9.395 -5.756 1.00 75.00 H new ATOM 1990 N SER A 133 -8.464 11.107 -10.413 1.00 25.00 N ATOM 1991 CA SER A 133 -7.778 11.992 -11.330 1.00 25.00 C ATOM 1992 C SER A 133 -8.475 13.324 -11.216 1.00 25.00 C ATOM 1993 O SER A 133 -9.762 13.424 -11.045 1.00 25.00 O ATOM 1994 CB SER A 133 -7.953 11.493 -12.728 1.00 25.00 C ATOM 1995 OG SER A 133 -7.292 10.264 -12.797 1.00 25.00 O ATOM 0 H SER A 133 -9.312 10.671 -10.775 1.00 25.00 H new ATOM 0 HA SER A 133 -6.714 12.054 -11.102 1.00 25.00 H new ATOM 0 HB2 SER A 133 -9.010 11.379 -12.970 1.00 25.00 H new ATOM 0 HB3 SER A 133 -7.536 12.199 -13.447 1.00 25.00 H new ATOM 0 HG SER A 133 -7.632 9.752 -13.560 1.00 25.00 H new ATOM 2001 N HIS A 134 -7.699 14.421 -11.350 1.00 25.00 N ATOM 2002 CA HIS A 134 -8.265 15.779 -11.191 1.00 25.00 C ATOM 2003 C HIS A 134 -7.921 16.790 -12.287 1.00 25.00 C ATOM 2004 O HIS A 134 -6.969 16.532 -12.956 1.00 25.00 O ATOM 2005 CB HIS A 134 -7.791 16.375 -9.858 1.00 25.00 C ATOM 2006 CG HIS A 134 -7.995 15.410 -8.713 1.00 25.00 C ATOM 2007 ND1 HIS A 134 -6.923 14.976 -7.943 1.00 25.00 N ATOM 2008 CD2 HIS A 134 -9.089 14.717 -8.226 1.00 25.00 C ATOM 2009 CE1 HIS A 134 -7.363 14.012 -7.120 1.00 25.00 C ATOM 2010 NE2 HIS A 134 -8.624 13.792 -7.307 1.00 25.00 N ATOM 0 H HIS A 134 -6.702 14.397 -11.563 1.00 25.00 H new ATOM 0 HA HIS A 134 -9.343 15.625 -11.244 1.00 25.00 H new ATOM 0 HB2 HIS A 134 -6.735 16.636 -9.931 1.00 25.00 H new ATOM 0 HB3 HIS A 134 -8.335 17.298 -9.658 1.00 25.00 H new ATOM 0 HD1 HIS A 134 -5.967 15.329 -7.994 1.00 25.00 H new ATOM 0 HD2 HIS A 134 -10.119 14.870 -8.511 1.00 25.00 H new ATOM 0 HE1 HIS A 134 -6.749 13.491 -6.400 1.00 25.00 H new ATOM 2018 N HIS A 135 -8.549 17.963 -12.378 1.00 25.00 N ATOM 2019 CA HIS A 135 -8.079 19.017 -13.255 1.00 25.00 C ATOM 2020 C HIS A 135 -7.754 20.312 -12.520 1.00 25.00 C ATOM 2021 O HIS A 135 -8.609 20.894 -11.844 1.00 25.00 O ATOM 2022 CB HIS A 135 -9.199 19.498 -14.131 1.00 25.00 C ATOM 2023 CG HIS A 135 -9.801 18.474 -15.059 1.00 25.00 C ATOM 2024 ND1 HIS A 135 -9.309 18.250 -16.362 1.00 25.00 N ATOM 2025 CD2 HIS A 135 -10.793 17.558 -14.937 1.00 25.00 C ATOM 2026 CE1 HIS A 135 -9.988 17.219 -16.915 1.00 25.00 C ATOM 2027 NE2 HIS A 135 -10.917 16.868 -16.073 1.00 25.00 N ATOM 0 H HIS A 135 -9.388 18.200 -11.849 1.00 25.00 H new ATOM 0 HA HIS A 135 -7.221 18.573 -13.759 1.00 25.00 H new ATOM 0 HB2 HIS A 135 -9.991 19.889 -13.492 1.00 25.00 H new ATOM 0 HB3 HIS A 135 -8.832 20.331 -14.731 1.00 25.00 H new ATOM 0 HD2 HIS A 135 -11.394 17.409 -14.052 1.00 25.00 H new ATOM 0 HE1 HIS A 135 -9.795 16.770 -17.878 1.00 25.00 H new ATOM 0 HE2 HIS A 135 -11.635 16.167 -16.255 1.00 25.00 H new ATOM 2035 N ILE A 136 -6.473 20.704 -12.569 1.00 25.00 N ATOM 2036 CA ILE A 136 -6.030 21.756 -11.672 1.00 25.00 C ATOM 2037 C ILE A 136 -5.459 22.903 -12.497 1.00 25.00 C ATOM 2038 O ILE A 136 -4.724 22.688 -13.480 1.00 25.00 O ATOM 2039 CB ILE A 136 -4.908 21.230 -10.797 1.00 25.00 C ATOM 2040 CG1 ILE A 136 -5.263 19.922 -10.054 1.00 25.00 C ATOM 2041 CG2 ILE A 136 -4.373 22.176 -9.776 1.00 25.00 C ATOM 2042 CD1 ILE A 136 -6.338 19.961 -8.978 1.00 25.00 C ATOM 0 H ILE A 136 -5.761 20.324 -13.193 1.00 25.00 H new ATOM 0 HA ILE A 136 -6.873 22.088 -11.065 1.00 25.00 H new ATOM 0 HB ILE A 136 -4.133 21.059 -11.544 1.00 25.00 H new ATOM 0 HG12 ILE A 136 -5.570 19.190 -10.801 1.00 25.00 H new ATOM 0 HG13 ILE A 136 -4.349 19.544 -9.595 1.00 25.00 H new ATOM 0 HG21 ILE A 136 -3.577 21.690 -9.212 1.00 25.00 H new ATOM 0 HG22 ILE A 136 -3.977 23.062 -10.273 1.00 25.00 H new ATOM 0 HG23 ILE A 136 -5.173 22.468 -9.096 1.00 25.00 H new ATOM 0 HD11 ILE A 136 -6.466 18.964 -8.556 1.00 25.00 H new ATOM 0 HD12 ILE A 136 -6.040 20.653 -8.191 1.00 25.00 H new ATOM 0 HD13 ILE A 136 -7.279 20.293 -9.416 1.00 25.00 H new ATOM 2054 N TYR A 137 -5.886 24.123 -12.193 1.00 25.00 N ATOM 2055 CA TYR A 137 -5.301 25.286 -12.813 1.00 25.00 C ATOM 2056 C TYR A 137 -3.952 25.512 -12.158 1.00 25.00 C ATOM 2057 O TYR A 137 -3.800 25.451 -10.971 1.00 25.00 O ATOM 2058 CB TYR A 137 -6.172 26.488 -12.641 1.00 25.00 C ATOM 2059 CG TYR A 137 -5.609 27.669 -13.312 1.00 25.00 C ATOM 2060 CD1 TYR A 137 -4.940 28.651 -12.621 1.00 50.00 C ATOM 2061 CD2 TYR A 137 -5.766 27.866 -14.703 1.00 50.00 C ATOM 2062 CE1 TYR A 137 -4.350 29.755 -13.295 1.00 25.00 C ATOM 2063 CE2 TYR A 137 -5.128 28.989 -15.379 1.00 25.00 C ATOM 2064 CZ TYR A 137 -4.417 29.911 -14.685 1.00 25.00 C ATOM 2065 OH TYR A 137 -3.698 30.849 -15.356 1.00 25.00 O ATOM 0 H TYR A 137 -6.630 24.323 -11.525 1.00 25.00 H new ATOM 0 HA TYR A 137 -5.192 25.125 -13.886 1.00 25.00 H new ATOM 0 HB2 TYR A 137 -7.163 26.279 -13.043 1.00 25.00 H new ATOM 0 HB3 TYR A 137 -6.297 26.698 -11.579 1.00 25.00 H new ATOM 0 HD1 TYR A 137 -4.861 28.583 -11.546 1.00 50.00 H new ATOM 0 HD2 TYR A 137 -6.368 27.174 -15.274 1.00 50.00 H new ATOM 0 HE1 TYR A 137 -3.830 30.502 -12.713 1.00 25.00 H new ATOM 0 HE2 TYR A 137 -5.223 29.088 -16.450 1.00 25.00 H new ATOM 0 HH TYR A 137 -3.892 30.786 -16.315 1.00 25.00 H new ATOM 2075 N ILE A 138 -2.970 25.756 -12.996 1.00 25.00 N ATOM 2076 CA ILE A 138 -1.583 25.987 -12.603 1.00 25.00 C ATOM 2077 C ILE A 138 -1.365 27.440 -12.971 1.00 25.00 C ATOM 2078 O ILE A 138 -1.778 27.840 -14.029 1.00 25.00 O ATOM 2079 CB ILE A 138 -0.716 24.954 -13.448 1.00 25.00 C ATOM 2080 CG1 ILE A 138 -0.978 23.478 -12.975 1.00 25.00 C ATOM 2081 CG2 ILE A 138 0.847 25.249 -13.439 1.00 25.00 C ATOM 2082 CD1 ILE A 138 -0.612 23.087 -11.521 1.00 25.00 C ATOM 0 H ILE A 138 -3.111 25.802 -14.005 1.00 25.00 H new ATOM 0 HA ILE A 138 -1.321 25.834 -11.556 1.00 25.00 H new ATOM 0 HB ILE A 138 -1.049 25.082 -14.478 1.00 25.00 H new ATOM 0 HG12 ILE A 138 -2.038 23.269 -13.117 1.00 25.00 H new ATOM 0 HG13 ILE A 138 -0.430 22.814 -13.644 1.00 25.00 H new ATOM 0 HG21 ILE A 138 1.362 24.498 -14.038 1.00 25.00 H new ATOM 0 HG22 ILE A 138 1.033 26.238 -13.858 1.00 25.00 H new ATOM 0 HG23 ILE A 138 1.218 25.213 -12.415 1.00 25.00 H new ATOM 0 HD11 ILE A 138 -0.854 22.037 -11.355 1.00 25.00 H new ATOM 0 HD12 ILE A 138 0.455 23.243 -11.360 1.00 25.00 H new ATOM 0 HD13 ILE A 138 -1.179 23.705 -10.824 1.00 25.00 H new ATOM 2094 N PRO A 139 -0.783 28.278 -12.050 1.00 25.00 N ATOM 2095 CA PRO A 139 -0.734 29.671 -12.495 1.00 25.00 C ATOM 2096 C PRO A 139 0.036 30.000 -13.688 1.00 25.00 C ATOM 2097 O PRO A 139 1.101 29.369 -13.978 1.00 25.00 O ATOM 2098 CB PRO A 139 -0.245 30.377 -11.193 1.00 25.00 C ATOM 2099 CG PRO A 139 0.536 29.333 -10.477 1.00 25.00 C ATOM 2100 CD PRO A 139 -0.264 28.063 -10.706 1.00 25.00 C ATOM 0 HA PRO A 139 -1.701 29.998 -12.878 1.00 25.00 H new ATOM 0 HB2 PRO A 139 0.370 31.248 -11.420 1.00 25.00 H new ATOM 0 HB3 PRO A 139 -1.084 30.728 -10.592 1.00 25.00 H new ATOM 0 HG2 PRO A 139 1.547 29.246 -10.875 1.00 25.00 H new ATOM 0 HG3 PRO A 139 0.630 29.561 -9.415 1.00 25.00 H new ATOM 0 HD2 PRO A 139 0.359 27.171 -10.646 1.00 25.00 H new ATOM 0 HD3 PRO A 139 -1.062 27.944 -9.973 1.00 25.00 H new ATOM 2108 N GLU A 140 -0.444 30.920 -14.454 1.00 25.00 N ATOM 2109 CA GLU A 140 0.164 31.450 -15.671 1.00 25.00 C ATOM 2110 C GLU A 140 0.765 32.841 -15.516 1.00 25.00 C ATOM 2111 O GLU A 140 1.692 33.290 -16.174 1.00 25.00 O ATOM 2112 CB GLU A 140 -0.884 31.495 -16.752 1.00 25.00 C ATOM 2113 CG GLU A 140 -0.363 31.687 -18.216 1.00 25.00 C ATOM 2114 CD GLU A 140 -1.503 31.667 -19.267 1.00 25.00 C ATOM 2115 OE1 GLU A 140 -2.178 30.652 -19.388 1.00 25.00 O ATOM 2116 OE2 GLU A 140 -1.785 32.691 -19.955 1.00 25.00 O1- ATOM 0 H GLU A 140 -1.337 31.368 -14.248 1.00 25.00 H new ATOM 0 HA GLU A 140 0.989 30.783 -15.921 1.00 25.00 H new ATOM 0 HB2 GLU A 140 -1.457 30.569 -16.712 1.00 25.00 H new ATOM 0 HB3 GLU A 140 -1.575 32.307 -16.525 1.00 25.00 H new ATOM 0 HG2 GLU A 140 0.172 32.634 -18.285 1.00 25.00 H new ATOM 0 HG3 GLU A 140 0.353 30.899 -18.448 1.00 25.00 H new ATOM 2123 N ASP A 141 0.271 33.571 -14.512 1.00 25.00 N ATOM 2124 CA ASP A 141 0.573 34.983 -14.255 1.00 25.00 C ATOM 2125 C ASP A 141 1.952 35.175 -13.599 1.00 25.00 C ATOM 2126 O ASP A 141 2.548 36.272 -13.518 1.00 25.00 O ATOM 2127 CB ASP A 141 -0.480 35.580 -13.291 1.00 25.00 C ATOM 2128 CG ASP A 141 -0.271 35.143 -11.814 1.00 25.00 C ATOM 2129 OD1 ASP A 141 -0.151 33.954 -11.548 1.00 50.00 O ATOM 2130 OD2 ASP A 141 -0.161 35.994 -10.928 1.00 50.00 O1- ATOM 0 H ASP A 141 -0.376 33.179 -13.828 1.00 25.00 H new ATOM 0 HA ASP A 141 0.562 35.484 -15.223 1.00 25.00 H new ATOM 0 HB2 ASP A 141 -0.443 36.668 -13.351 1.00 25.00 H new ATOM 0 HB3 ASP A 141 -1.475 35.277 -13.616 1.00 25.00 H new ATOM 2135 N ARG A 142 2.539 34.025 -13.293 1.00 25.00 N ATOM 2136 CA ARG A 142 3.915 34.023 -12.748 1.00 25.00 C ATOM 2137 C ARG A 142 4.714 32.837 -13.214 1.00 25.00 C ATOM 2138 O ARG A 142 4.169 31.847 -13.630 1.00 25.00 O ATOM 2139 CB ARG A 142 3.857 34.015 -11.186 1.00 25.00 C ATOM 2140 CG ARG A 142 3.074 32.786 -10.651 1.00 25.00 C ATOM 2141 CD ARG A 142 2.685 32.965 -9.179 1.00 25.00 C ATOM 2142 NE ARG A 142 1.502 33.783 -9.046 1.00 25.00 N ATOM 2143 CZ ARG A 142 0.998 34.367 -7.981 1.00 25.00 C ATOM 2144 NH1 ARG A 142 0.043 35.215 -8.094 1.00 25.00 N1+ ATOM 2145 NH2 ARG A 142 1.531 34.157 -6.779 1.00 25.00 N ATOM 0 H ARG A 142 2.113 33.105 -13.403 1.00 25.00 H new ATOM 0 HA ARG A 142 4.410 34.923 -13.113 1.00 25.00 H new ATOM 0 HB2 ARG A 142 4.870 34.005 -10.784 1.00 25.00 H new ATOM 0 HB3 ARG A 142 3.383 34.931 -10.834 1.00 25.00 H new ATOM 0 HG2 ARG A 142 2.176 32.637 -11.250 1.00 25.00 H new ATOM 0 HG3 ARG A 142 3.683 31.889 -10.761 1.00 25.00 H new ATOM 0 HD2 ARG A 142 2.508 31.990 -8.726 1.00 25.00 H new ATOM 0 HD3 ARG A 142 3.511 33.424 -8.635 1.00 25.00 H new ATOM 0 HE ARG A 142 0.978 33.930 -9.909 1.00 25.00 H new ATOM 0 HH11 ARG A 142 -0.332 35.441 -9.015 1.00 25.00 H new ATOM 0 HH12 ARG A 142 -0.342 35.663 -7.263 1.00 25.00 H new ATOM 0 HH21 ARG A 142 2.336 33.539 -6.679 1.00 25.00 H new ATOM 0 HH22 ARG A 142 1.134 34.614 -5.958 1.00 25.00 H new ATOM 2159 N LEU A 143 6.006 32.953 -13.171 1.00 25.00 N ATOM 2160 CA LEU A 143 6.947 31.873 -13.429 1.00 25.00 C ATOM 2161 C LEU A 143 7.488 31.551 -12.045 1.00 25.00 C ATOM 2162 O LEU A 143 7.590 32.452 -11.196 1.00 25.00 O ATOM 2163 CB LEU A 143 8.102 32.451 -14.257 1.00 25.00 C ATOM 2164 CG LEU A 143 7.866 32.563 -15.773 1.00 25.00 C ATOM 2165 CD1 LEU A 143 6.776 33.467 -16.265 1.00 50.00 C ATOM 2166 CD2 LEU A 143 9.214 32.861 -16.509 1.00 50.00 C ATOM 0 H LEU A 143 6.467 33.835 -12.947 1.00 25.00 H new ATOM 0 HA LEU A 143 6.511 31.018 -13.946 1.00 25.00 H new ATOM 0 HB2 LEU A 143 8.334 33.444 -13.873 1.00 25.00 H new ATOM 0 HB3 LEU A 143 8.984 31.831 -14.093 1.00 25.00 H new ATOM 0 HG LEU A 143 7.473 31.579 -16.028 1.00 25.00 H new ATOM 0 HD11 LEU A 143 6.739 33.434 -17.354 1.00 50.00 H new ATOM 0 HD12 LEU A 143 5.819 33.138 -15.860 1.00 50.00 H new ATOM 0 HD13 LEU A 143 6.976 34.488 -15.940 1.00 50.00 H new ATOM 0 HD21 LEU A 143 9.034 32.938 -17.581 1.00 50.00 H new ATOM 0 HD22 LEU A 143 9.629 33.800 -16.142 1.00 50.00 H new ATOM 0 HD23 LEU A 143 9.920 32.053 -16.317 1.00 50.00 H new ATOM 2178 N GLY A 144 7.926 30.321 -11.798 1.00 25.00 N ATOM 2179 CA GLY A 144 8.710 29.968 -10.600 1.00 25.00 C ATOM 2180 C GLY A 144 8.681 28.479 -10.222 1.00 25.00 C ATOM 2181 O GLY A 144 7.851 27.712 -10.734 1.00 25.00 O ATOM 0 H GLY A 144 7.751 29.532 -12.420 1.00 25.00 H new ATOM 0 HA2 GLY A 144 9.746 30.267 -10.761 1.00 25.00 H new ATOM 0 HA3 GLY A 144 8.338 30.549 -9.756 1.00 25.00 H new ATOM 2185 N TYR A 145 9.564 28.095 -9.348 1.00 25.00 N ATOM 2186 CA TYR A 145 9.525 26.802 -8.642 1.00 25.00 C ATOM 2187 C TYR A 145 8.729 26.812 -7.345 1.00 25.00 C ATOM 2188 O TYR A 145 8.813 27.762 -6.562 1.00 25.00 O ATOM 2189 CB TYR A 145 10.909 26.175 -8.530 1.00 25.00 C ATOM 2190 CG TYR A 145 11.943 26.915 -7.703 1.00 25.00 C ATOM 2191 CD1 TYR A 145 12.959 27.637 -8.336 1.00 50.00 C ATOM 2192 CD2 TYR A 145 11.868 26.899 -6.294 1.00 50.00 C ATOM 2193 CE1 TYR A 145 13.857 28.368 -7.521 1.00 25.00 C ATOM 2194 CE2 TYR A 145 12.729 27.643 -5.531 1.00 25.00 C ATOM 2195 CZ TYR A 145 13.714 28.375 -6.142 1.00 25.00 C ATOM 2196 OH TYR A 145 14.601 29.082 -5.317 1.00 25.00 O ATOM 0 H TYR A 145 10.362 28.672 -9.083 1.00 25.00 H new ATOM 0 HA TYR A 145 8.942 26.133 -9.275 1.00 25.00 H new ATOM 0 HB2 TYR A 145 10.794 25.176 -8.110 1.00 25.00 H new ATOM 0 HB3 TYR A 145 11.307 26.054 -9.538 1.00 25.00 H new ATOM 0 HD1 TYR A 145 13.056 27.637 -9.412 1.00 50.00 H new ATOM 0 HD2 TYR A 145 11.119 26.290 -5.809 1.00 50.00 H new ATOM 0 HE1 TYR A 145 14.661 28.926 -7.978 1.00 25.00 H new ATOM 0 HE2 TYR A 145 12.632 27.653 -4.455 1.00 25.00 H new ATOM 0 HH TYR A 145 14.338 28.968 -4.380 1.00 25.00 H new ATOM 2206 N HIS A 146 7.940 25.786 -7.166 1.00 25.00 N ATOM 2207 CA HIS A 146 6.795 25.716 -6.280 1.00 25.00 C ATOM 2208 C HIS A 146 6.735 24.246 -5.859 1.00 25.00 C ATOM 2209 O HIS A 146 7.456 23.454 -6.450 1.00 25.00 O ATOM 2210 CB HIS A 146 5.481 26.176 -6.942 1.00 25.00 C ATOM 2211 CG HIS A 146 5.568 27.496 -7.600 1.00 25.00 C ATOM 2212 ND1 HIS A 146 5.517 27.929 -8.887 1.00 25.00 N flip ATOM 2213 CD2 HIS A 146 5.729 28.670 -6.857 1.00 25.00 C flip ATOM 2214 CE1 HIS A 146 5.621 29.335 -8.906 1.00 25.00 C flip ATOM 2215 NE2 HIS A 146 5.755 29.734 -7.672 1.00 25.00 N flip ATOM 0 H HIS A 146 8.086 24.911 -7.669 1.00 25.00 H new ATOM 0 HA HIS A 146 6.907 26.394 -5.434 1.00 25.00 H new ATOM 0 HB2 HIS A 146 5.179 25.433 -7.680 1.00 25.00 H new ATOM 0 HB3 HIS A 146 4.698 26.210 -6.185 1.00 25.00 H new ATOM 0 HD2 HIS A 146 5.819 28.713 -5.782 1.00 25.00 H new ATOM 0 HE1 HIS A 146 5.595 29.966 -9.782 1.00 25.00 H new ATOM 0 HE2 HIS A 146 5.863 30.703 -7.374 1.00 25.00 H new ATOM 2223 N VAL A 147 5.945 23.904 -4.861 1.00 25.00 N ATOM 2224 CA VAL A 147 5.996 22.535 -4.333 1.00 25.00 C ATOM 2225 C VAL A 147 4.577 22.152 -4.230 1.00 25.00 C ATOM 2226 O VAL A 147 3.798 22.947 -3.721 1.00 25.00 O ATOM 2227 CB VAL A 147 6.741 22.511 -2.919 1.00 25.00 C ATOM 2228 CG1 VAL A 147 7.030 21.021 -2.510 1.00 50.00 C ATOM 2229 CG2 VAL A 147 7.983 23.435 -2.945 1.00 50.00 C ATOM 0 H VAL A 147 5.277 24.525 -4.404 1.00 25.00 H new ATOM 0 HA VAL A 147 6.557 21.842 -4.960 1.00 25.00 H new ATOM 0 HB VAL A 147 6.105 22.922 -2.135 1.00 25.00 H new ATOM 0 HG11 VAL A 147 7.538 21.000 -1.546 1.00 50.00 H new ATOM 0 HG12 VAL A 147 6.090 20.475 -2.436 1.00 50.00 H new ATOM 0 HG13 VAL A 147 7.663 20.553 -3.264 1.00 50.00 H new ATOM 0 HG21 VAL A 147 8.478 23.407 -1.974 1.00 50.00 H new ATOM 0 HG22 VAL A 147 8.675 23.093 -3.715 1.00 50.00 H new ATOM 0 HG23 VAL A 147 7.672 24.457 -3.164 1.00 50.00 H new ATOM 2239 N ILE A 148 4.187 20.985 -4.716 1.00 25.00 N ATOM 2240 CA ILE A 148 2.851 20.439 -4.619 1.00 25.00 C ATOM 2241 C ILE A 148 2.884 19.435 -3.422 1.00 25.00 C ATOM 2242 O ILE A 148 3.577 18.435 -3.506 1.00 25.00 O ATOM 2243 CB ILE A 148 2.316 19.814 -5.938 1.00 25.00 C ATOM 2244 CG1 ILE A 148 2.221 20.872 -7.018 1.00 25.00 C ATOM 2245 CG2 ILE A 148 0.977 19.076 -5.689 1.00 25.00 C ATOM 2246 CD1 ILE A 148 1.969 20.241 -8.438 1.00 25.00 C ATOM 0 H ILE A 148 4.828 20.366 -5.212 1.00 25.00 H new ATOM 0 HA ILE A 148 2.132 21.238 -4.440 1.00 25.00 H new ATOM 0 HB ILE A 148 3.019 19.061 -6.295 1.00 25.00 H new ATOM 0 HG12 ILE A 148 1.412 21.563 -6.779 1.00 25.00 H new ATOM 0 HG13 ILE A 148 3.142 21.454 -7.038 1.00 25.00 H new ATOM 0 HG21 ILE A 148 0.619 18.646 -6.624 1.00 25.00 H new ATOM 0 HG22 ILE A 148 1.130 18.281 -4.959 1.00 25.00 H new ATOM 0 HG23 ILE A 148 0.238 19.781 -5.308 1.00 25.00 H new ATOM 0 HD11 ILE A 148 1.907 21.034 -9.183 1.00 25.00 H new ATOM 0 HD12 ILE A 148 2.791 19.570 -8.689 1.00 25.00 H new ATOM 0 HD13 ILE A 148 1.034 19.681 -8.426 1.00 25.00 H new ATOM 2258 N LEU A 149 2.066 19.598 -2.365 1.00 25.00 N ATOM 2259 CA LEU A 149 2.175 18.733 -1.228 1.00 25.00 C ATOM 2260 C LEU A 149 0.897 17.935 -1.131 1.00 25.00 C ATOM 2261 O LEU A 149 -0.147 18.450 -1.404 1.00 25.00 O ATOM 2262 CB LEU A 149 2.530 19.492 0.045 1.00 25.00 C ATOM 2263 CG LEU A 149 3.440 20.700 0.019 1.00 25.00 C ATOM 2264 CD1 LEU A 149 2.547 21.916 -0.093 1.00 50.00 C ATOM 2265 CD2 LEU A 149 4.350 20.865 1.280 1.00 50.00 C ATOM 0 H LEU A 149 1.342 20.314 -2.296 1.00 25.00 H new ATOM 0 HA LEU A 149 3.007 18.041 -1.356 1.00 25.00 H new ATOM 0 HB2 LEU A 149 1.590 19.813 0.494 1.00 25.00 H new ATOM 0 HB3 LEU A 149 2.980 18.771 0.728 1.00 25.00 H new ATOM 0 HG LEU A 149 4.124 20.576 -0.821 1.00 25.00 H new ATOM 0 HD11 LEU A 149 3.160 22.817 -0.115 1.00 50.00 H new ATOM 0 HD12 LEU A 149 1.960 21.853 -1.010 1.00 50.00 H new ATOM 0 HD13 LEU A 149 1.876 21.955 0.765 1.00 50.00 H new ATOM 0 HD21 LEU A 149 4.966 21.758 1.170 1.00 50.00 H new ATOM 0 HD22 LEU A 149 3.726 20.962 2.169 1.00 50.00 H new ATOM 0 HD23 LEU A 149 4.993 19.991 1.382 1.00 50.00 H new ATOM 2277 N ALA A 150 0.974 16.656 -0.837 1.00 25.00 N ATOM 2278 CA ALA A 150 -0.218 15.846 -0.754 1.00 25.00 C ATOM 2279 C ALA A 150 -0.273 14.876 0.418 1.00 25.00 C ATOM 2280 O ALA A 150 0.796 14.325 0.805 1.00 25.00 O ATOM 2281 CB ALA A 150 -0.479 15.091 -1.987 1.00 25.00 C ATOM 0 H ALA A 150 1.845 16.158 -0.653 1.00 25.00 H new ATOM 0 HA ALA A 150 -0.994 16.594 -0.593 1.00 25.00 H new ATOM 0 HB1 ALA A 150 -1.387 14.500 -1.867 1.00 25.00 H new ATOM 0 HB2 ALA A 150 -0.605 15.784 -2.819 1.00 25.00 H new ATOM 0 HB3 ALA A 150 0.361 14.427 -2.192 1.00 25.00 H new ATOM 2287 N VAL A 151 -1.421 14.632 0.976 1.00 25.00 N ATOM 2288 CA VAL A 151 -1.579 13.755 2.138 1.00 25.00 C ATOM 2289 C VAL A 151 -2.748 12.796 1.922 1.00 25.00 C ATOM 2290 O VAL A 151 -3.781 13.334 1.455 1.00 25.00 O ATOM 2291 CB VAL A 151 -2.013 14.623 3.392 1.00 25.00 C ATOM 2292 CG1 VAL A 151 -2.064 13.748 4.712 1.00 50.00 C ATOM 2293 CG2 VAL A 151 -1.039 15.830 3.558 1.00 50.00 C ATOM 0 H VAL A 151 -2.298 15.034 0.645 1.00 25.00 H new ATOM 0 HA VAL A 151 -0.635 13.230 2.284 1.00 25.00 H new ATOM 0 HB VAL A 151 -3.020 15.002 3.219 1.00 25.00 H new ATOM 0 HG11 VAL A 151 -2.365 14.374 5.552 1.00 50.00 H new ATOM 0 HG12 VAL A 151 -2.785 12.940 4.585 1.00 50.00 H new ATOM 0 HG13 VAL A 151 -1.078 13.327 4.908 1.00 50.00 H new ATOM 0 HG21 VAL A 151 -1.340 16.424 4.421 1.00 50.00 H new ATOM 0 HG22 VAL A 151 -0.024 15.461 3.708 1.00 50.00 H new ATOM 0 HG23 VAL A 151 -1.071 16.449 2.662 1.00 50.00 H new ATOM 2303 N TRP A 152 -2.654 11.532 2.250 1.00 25.00 N ATOM 2304 CA TRP A 152 -3.803 10.623 2.082 1.00 25.00 C ATOM 2305 C TRP A 152 -4.185 10.171 3.489 1.00 25.00 C ATOM 2306 O TRP A 152 -3.266 10.041 4.312 1.00 25.00 O ATOM 2307 CB TRP A 152 -3.511 9.404 1.202 1.00 25.00 C ATOM 2308 CG TRP A 152 -3.825 9.531 -0.230 1.00 25.00 C ATOM 2309 CD1 TRP A 152 -4.813 8.861 -0.855 1.00 25.00 C ATOM 2310 CD2 TRP A 152 -3.281 10.380 -1.241 1.00 25.00 C ATOM 2311 NE1 TRP A 152 -4.912 9.191 -2.171 1.00 25.00 N ATOM 2312 CE2 TRP A 152 -3.855 10.010 -2.473 1.00 25.00 C ATOM 2313 CE3 TRP A 152 -2.136 11.226 -1.231 1.00 25.00 C ATOM 2314 CZ2 TRP A 152 -3.306 10.371 -3.678 1.00 25.00 C ATOM 2315 CZ3 TRP A 152 -1.635 11.692 -2.447 1.00 25.00 C ATOM 2316 CH2 TRP A 152 -2.209 11.236 -3.656 1.00 25.00 C ATOM 0 H TRP A 152 -1.814 11.096 2.631 1.00 25.00 H new ATOM 0 HA TRP A 152 -4.605 11.153 1.568 1.00 25.00 H new ATOM 0 HB2 TRP A 152 -2.453 9.161 1.298 1.00 25.00 H new ATOM 0 HB3 TRP A 152 -4.070 8.556 1.599 1.00 25.00 H new ATOM 0 HD1 TRP A 152 -5.454 8.143 -0.366 1.00 25.00 H new ATOM 0 HE1 TRP A 152 -5.640 8.885 -2.816 1.00 25.00 H new ATOM 0 HE3 TRP A 152 -1.664 11.502 -0.300 1.00 25.00 H new ATOM 0 HZ2 TRP A 152 -3.707 10.000 -4.609 1.00 25.00 H new ATOM 0 HZ3 TRP A 152 -0.816 12.395 -2.465 1.00 25.00 H new ATOM 0 HH2 TRP A 152 -1.786 11.567 -4.593 1.00 25.00 H new ATOM 2327 N ASP A 153 -5.451 9.887 3.649 1.00 25.00 N ATOM 2328 CA ASP A 153 -5.905 9.121 4.797 1.00 25.00 C ATOM 2329 C ASP A 153 -6.354 7.868 4.085 1.00 25.00 C ATOM 2330 O ASP A 153 -7.028 7.933 3.061 1.00 25.00 O ATOM 2331 CB ASP A 153 -7.066 9.863 5.496 1.00 25.00 C ATOM 2332 CG ASP A 153 -7.601 9.087 6.681 1.00 25.00 C ATOM 2333 OD1 ASP A 153 -6.929 8.142 7.142 1.00 25.00 O ATOM 2334 OD2 ASP A 153 -8.634 9.469 7.253 1.00 25.00 O1- ATOM 0 H ASP A 153 -6.190 10.170 3.005 1.00 25.00 H new ATOM 0 HA ASP A 153 -5.181 8.947 5.593 1.00 25.00 H new ATOM 0 HB2 ASP A 153 -6.723 10.842 5.829 1.00 25.00 H new ATOM 0 HB3 ASP A 153 -7.871 10.033 4.781 1.00 25.00 H new ATOM 2339 N VAL A 154 -5.954 6.686 4.556 1.00 25.00 N ATOM 2340 CA VAL A 154 -6.258 5.433 3.933 1.00 25.00 C ATOM 2341 C VAL A 154 -6.676 4.532 5.055 1.00 25.00 C ATOM 2342 O VAL A 154 -5.886 4.283 5.960 1.00 25.00 O ATOM 2343 CB VAL A 154 -5.024 4.838 3.265 1.00 25.00 C ATOM 2344 CG1 VAL A 154 -5.357 3.558 2.515 1.00 50.00 C ATOM 2345 CG2 VAL A 154 -4.403 5.857 2.275 1.00 50.00 C ATOM 0 H VAL A 154 -5.396 6.590 5.404 1.00 25.00 H new ATOM 0 HA VAL A 154 -7.023 5.553 3.166 1.00 25.00 H new ATOM 0 HB VAL A 154 -4.309 4.604 4.054 1.00 25.00 H new ATOM 0 HG11 VAL A 154 -4.453 3.162 2.052 1.00 50.00 H new ATOM 0 HG12 VAL A 154 -5.760 2.822 3.211 1.00 50.00 H new ATOM 0 HG13 VAL A 154 -6.097 3.770 1.744 1.00 50.00 H new ATOM 0 HG21 VAL A 154 -3.523 5.418 1.806 1.00 50.00 H new ATOM 0 HG22 VAL A 154 -5.135 6.111 1.508 1.00 50.00 H new ATOM 0 HG23 VAL A 154 -4.115 6.759 2.815 1.00 50.00 H new ATOM 2355 N ALA A 155 -7.901 4.001 5.005 1.00 25.00 N ATOM 2356 CA ALA A 155 -8.448 3.243 6.088 1.00 25.00 C ATOM 2357 C ALA A 155 -7.924 1.781 6.067 1.00 25.00 C ATOM 2358 O ALA A 155 -7.936 1.117 7.130 1.00 25.00 O ATOM 2359 CB ALA A 155 -9.961 3.232 5.955 1.00 25.00 C ATOM 0 H ALA A 155 -8.526 4.095 4.204 1.00 25.00 H new ATOM 0 HA ALA A 155 -8.145 3.702 7.029 1.00 25.00 H new ATOM 0 HB1 ALA A 155 -10.394 2.658 6.774 1.00 25.00 H new ATOM 0 HB2 ALA A 155 -10.337 4.255 5.991 1.00 25.00 H new ATOM 0 HB3 ALA A 155 -10.239 2.776 5.005 1.00 25.00 H new ATOM 2365 N ASP A 156 -7.451 1.325 4.887 1.00 25.00 N ATOM 2366 CA ASP A 156 -6.951 -0.039 4.797 1.00 25.00 C ATOM 2367 C ASP A 156 -5.548 -0.250 5.241 1.00 25.00 C ATOM 2368 O ASP A 156 -5.149 -1.396 5.563 1.00 25.00 O ATOM 2369 CB ASP A 156 -7.208 -0.788 3.468 1.00 25.00 C ATOM 2370 CG ASP A 156 -6.278 -0.393 2.366 1.00 25.00 C ATOM 2371 OD1 ASP A 156 -5.275 -1.086 2.082 1.00 25.00 O ATOM 2372 OD2 ASP A 156 -6.534 0.622 1.717 1.00 25.00 O1- ATOM 0 H ASP A 156 -7.410 1.866 4.023 1.00 25.00 H new ATOM 0 HA ASP A 156 -7.599 -0.503 5.541 1.00 25.00 H new ATOM 0 HB2 ASP A 156 -7.117 -1.860 3.642 1.00 25.00 H new ATOM 0 HB3 ASP A 156 -8.234 -0.603 3.149 1.00 25.00 H new ATOM 2377 N THR A 157 -4.832 0.848 5.365 1.00 25.00 N ATOM 2378 CA THR A 157 -3.408 0.816 5.776 1.00 25.00 C ATOM 2379 C THR A 157 -3.298 1.448 7.134 1.00 25.00 C ATOM 2380 O THR A 157 -4.186 2.190 7.583 1.00 25.00 O ATOM 2381 CB THR A 157 -2.503 1.512 4.743 1.00 25.00 C ATOM 2382 OG1 THR A 157 -2.753 2.911 4.717 1.00 25.00 O ATOM 2383 CG2 THR A 157 -2.695 0.958 3.345 1.00 25.00 C ATOM 0 H THR A 157 -5.196 1.785 5.191 1.00 25.00 H new ATOM 0 HA THR A 157 -3.062 -0.216 5.827 1.00 25.00 H new ATOM 0 HB THR A 157 -1.476 1.320 5.054 1.00 25.00 H new ATOM 0 HG1 THR A 157 -2.059 3.357 4.188 1.00 25.00 H new ATOM 0 HG21 THR A 157 -2.035 1.481 2.653 1.00 25.00 H new ATOM 0 HG22 THR A 157 -2.457 -0.106 3.339 1.00 25.00 H new ATOM 0 HG23 THR A 157 -3.731 1.100 3.036 1.00 25.00 H new ATOM 2391 N GLU A 158 -2.255 1.096 7.846 1.00 25.00 N ATOM 2392 CA GLU A 158 -2.197 1.500 9.257 1.00 25.00 C ATOM 2393 C GLU A 158 -1.517 2.841 9.491 1.00 25.00 C ATOM 2394 O GLU A 158 -1.825 3.562 10.413 1.00 25.00 O ATOM 2395 CB GLU A 158 -1.422 0.428 10.061 1.00 25.00 C ATOM 2396 CG GLU A 158 -2.248 -0.763 10.479 1.00 25.00 C ATOM 2397 CD GLU A 158 -2.700 -1.658 9.330 1.00 25.00 C ATOM 2398 OE1 GLU A 158 -1.824 -2.278 8.703 1.00 25.00 O ATOM 2399 OE2 GLU A 158 -3.902 -1.680 8.983 1.00 25.00 O1- ATOM 0 H GLU A 158 -1.460 0.555 7.505 1.00 25.00 H new ATOM 0 HA GLU A 158 -3.232 1.598 9.585 1.00 25.00 H new ATOM 0 HB2 GLU A 158 -0.583 0.078 9.460 1.00 25.00 H new ATOM 0 HB3 GLU A 158 -1.003 0.894 10.953 1.00 25.00 H new ATOM 0 HG2 GLU A 158 -1.669 -1.362 11.182 1.00 25.00 H new ATOM 0 HG3 GLU A 158 -3.129 -0.408 11.014 1.00 25.00 H new ATOM 2406 N ASN A 159 -0.668 3.216 8.547 1.00 25.00 N ATOM 2407 CA ASN A 159 -0.026 4.538 8.624 1.00 25.00 C ATOM 2408 C ASN A 159 -0.666 5.505 7.707 1.00 25.00 C ATOM 2409 O ASN A 159 -1.100 5.126 6.623 1.00 25.00 O ATOM 2410 CB ASN A 159 1.413 4.405 8.211 1.00 25.00 C ATOM 2411 CG ASN A 159 2.279 3.868 9.271 1.00 25.00 C ATOM 2412 OD1 ASN A 159 2.774 4.621 10.114 1.00 25.00 O ATOM 2413 ND2 ASN A 159 2.542 2.609 9.255 1.00 25.00 N ATOM 0 H ASN A 159 -0.407 2.651 7.739 1.00 25.00 H new ATOM 0 HA ASN A 159 -0.121 4.898 9.648 1.00 25.00 H new ATOM 0 HB2 ASN A 159 1.474 3.755 7.338 1.00 25.00 H new ATOM 0 HB3 ASN A 159 1.788 5.382 7.907 1.00 25.00 H new ATOM 0 HD21 ASN A 159 3.173 2.211 9.950 1.00 25.00 H new ATOM 0 HD22 ASN A 159 2.119 2.009 8.547 1.00 25.00 H new ATOM 2420 N ALA A 160 -0.423 6.754 8.027 1.00 25.00 N ATOM 2421 CA ALA A 160 -0.646 7.880 7.104 1.00 25.00 C ATOM 2422 C ALA A 160 0.399 7.964 6.033 1.00 25.00 C ATOM 2423 O ALA A 160 1.494 7.358 6.092 1.00 25.00 O ATOM 2424 CB ALA A 160 -0.603 9.159 7.899 1.00 25.00 C ATOM 0 H ALA A 160 -0.062 7.036 8.938 1.00 25.00 H new ATOM 0 HA ALA A 160 -1.611 7.725 6.620 1.00 25.00 H new ATOM 0 HB1 ALA A 160 -0.766 10.007 7.234 1.00 25.00 H new ATOM 0 HB2 ALA A 160 -1.382 9.140 8.661 1.00 25.00 H new ATOM 0 HB3 ALA A 160 0.371 9.257 8.379 1.00 25.00 H new ATOM 2430 N PHE A 161 0.050 8.795 5.047 1.00 25.00 N ATOM 2431 CA PHE A 161 0.901 9.037 3.877 1.00 25.00 C ATOM 2432 C PHE A 161 1.087 10.579 3.647 1.00 25.00 C ATOM 2433 O PHE A 161 0.046 11.257 3.560 1.00 25.00 O ATOM 2434 CB PHE A 161 0.238 8.552 2.606 1.00 25.00 C ATOM 2435 CG PHE A 161 0.033 7.076 2.556 1.00 25.00 C ATOM 2436 CD1 PHE A 161 -1.020 6.521 3.316 1.00 50.00 C ATOM 2437 CD2 PHE A 161 0.865 6.229 1.848 1.00 50.00 C ATOM 2438 CE1 PHE A 161 -1.257 5.218 3.328 1.00 25.00 C ATOM 2439 CE2 PHE A 161 0.631 4.872 1.871 1.00 25.00 C ATOM 2440 CZ PHE A 161 -0.440 4.361 2.602 1.00 25.00 C ATOM 0 H PHE A 161 -0.826 9.317 5.036 1.00 25.00 H new ATOM 0 HA PHE A 161 1.840 8.519 4.074 1.00 25.00 H new ATOM 0 HB2 PHE A 161 -0.727 9.047 2.500 1.00 25.00 H new ATOM 0 HB3 PHE A 161 0.846 8.853 1.753 1.00 25.00 H new ATOM 0 HD1 PHE A 161 -1.648 7.176 3.902 1.00 50.00 H new ATOM 0 HD2 PHE A 161 1.693 6.629 1.281 1.00 50.00 H new ATOM 0 HE1 PHE A 161 -2.083 4.823 3.901 1.00 25.00 H new ATOM 0 HE2 PHE A 161 1.278 4.203 1.322 1.00 25.00 H new ATOM 0 HZ PHE A 161 -0.635 3.299 2.604 1.00 25.00 H new ATOM 2450 N TYR A 162 2.355 11.004 3.467 1.00 25.00 N ATOM 2451 CA TYR A 162 2.731 12.363 3.183 1.00 25.00 C ATOM 2452 C TYR A 162 3.877 12.344 2.115 1.00 25.00 C ATOM 2453 O TYR A 162 4.722 11.495 2.157 1.00 25.00 O ATOM 2454 CB TYR A 162 3.220 13.057 4.456 1.00 25.00 C ATOM 2455 CG TYR A 162 2.215 13.314 5.528 1.00 25.00 C ATOM 2456 CD1 TYR A 162 1.732 12.311 6.460 1.00 50.00 C ATOM 2457 CD2 TYR A 162 1.791 14.625 5.743 1.00 50.00 C ATOM 2458 CE1 TYR A 162 0.844 12.673 7.516 1.00 25.00 C ATOM 2459 CE2 TYR A 162 0.939 14.970 6.801 1.00 25.00 C ATOM 2460 CZ TYR A 162 0.442 14.003 7.610 1.00 25.00 C ATOM 2461 OH TYR A 162 -0.572 14.437 8.440 1.00 25.00 O ATOM 0 H TYR A 162 3.155 10.373 3.522 1.00 25.00 H new ATOM 0 HA TYR A 162 1.869 12.912 2.804 1.00 25.00 H new ATOM 0 HB2 TYR A 162 4.020 12.452 4.883 1.00 25.00 H new ATOM 0 HB3 TYR A 162 3.660 14.013 4.171 1.00 25.00 H new ATOM 0 HD1 TYR A 162 2.047 11.284 6.353 1.00 50.00 H new ATOM 0 HD2 TYR A 162 2.130 15.400 5.072 1.00 50.00 H new ATOM 0 HE1 TYR A 162 0.493 11.936 8.223 1.00 25.00 H new ATOM 0 HE2 TYR A 162 0.679 16.004 6.971 1.00 25.00 H new ATOM 0 HH TYR A 162 -0.681 15.406 8.344 1.00 25.00 H new ATOM 2471 N GLN A 163 3.794 13.212 1.145 1.00 25.00 N ATOM 2472 CA GLN A 163 4.636 13.177 -0.048 1.00 25.00 C ATOM 2473 C GLN A 163 4.624 14.573 -0.636 1.00 25.00 C ATOM 2474 O GLN A 163 3.630 15.250 -0.636 1.00 25.00 O ATOM 2475 CB GLN A 163 4.136 12.165 -1.130 1.00 25.00 C ATOM 2476 CG GLN A 163 2.699 12.321 -1.668 1.00 25.00 C ATOM 2477 CD GLN A 163 1.854 11.138 -1.232 1.00 25.00 C ATOM 2478 OE1 GLN A 163 1.836 10.077 -1.821 1.00 25.00 O ATOM 2479 NE2 GLN A 163 1.023 11.413 -0.269 1.00 25.00 N ATOM 0 H GLN A 163 3.129 13.985 1.149 1.00 25.00 H new ATOM 0 HA GLN A 163 5.634 12.848 0.243 1.00 25.00 H new ATOM 0 HB2 GLN A 163 4.817 12.223 -1.979 1.00 25.00 H new ATOM 0 HB3 GLN A 163 4.228 11.161 -0.715 1.00 25.00 H new ATOM 0 HG2 GLN A 163 2.261 13.248 -1.298 1.00 25.00 H new ATOM 0 HG3 GLN A 163 2.714 12.388 -2.756 1.00 25.00 H new ATOM 0 HE21 GLN A 163 1.069 12.316 0.202 1.00 25.00 H new ATOM 0 HE22 GLN A 163 0.325 10.725 0.014 1.00 25.00 H new ATOM 2488 N VAL A 164 5.702 14.941 -1.273 1.00 25.00 N ATOM 2489 CA VAL A 164 5.807 16.248 -1.960 1.00 25.00 C ATOM 2490 C VAL A 164 6.257 15.990 -3.400 1.00 25.00 C ATOM 2491 O VAL A 164 6.680 14.909 -3.699 1.00 25.00 O ATOM 2492 CB VAL A 164 6.767 17.165 -1.148 1.00 25.00 C ATOM 2493 CG1 VAL A 164 6.100 17.620 0.156 1.00 75.00 C ATOM 2494 CG2 VAL A 164 8.155 16.536 -0.827 1.00 75.00 C ATOM 0 H VAL A 164 6.540 14.364 -1.344 1.00 25.00 H new ATOM 0 HA VAL A 164 4.853 16.773 -2.011 1.00 25.00 H new ATOM 0 HB VAL A 164 6.963 18.016 -1.801 1.00 25.00 H new ATOM 0 HG11 VAL A 164 6.785 18.260 0.711 1.00 75.00 H new ATOM 0 HG12 VAL A 164 5.191 18.175 -0.075 1.00 75.00 H new ATOM 0 HG13 VAL A 164 5.849 16.748 0.760 1.00 75.00 H new ATOM 0 HG21 VAL A 164 8.754 17.248 -0.259 1.00 75.00 H new ATOM 0 HG22 VAL A 164 8.016 15.629 -0.239 1.00 75.00 H new ATOM 0 HG23 VAL A 164 8.667 16.291 -1.757 1.00 75.00 H new ATOM 2504 N ILE A 165 6.068 16.982 -4.260 1.00 25.00 N ATOM 2505 CA ILE A 165 6.569 16.942 -5.651 1.00 25.00 C ATOM 2506 C ILE A 165 7.144 18.301 -5.919 1.00 25.00 C ATOM 2507 O ILE A 165 6.433 19.292 -5.654 1.00 25.00 O ATOM 2508 CB ILE A 165 5.461 16.693 -6.677 1.00 25.00 C ATOM 2509 CG1 ILE A 165 4.848 15.333 -6.485 1.00 25.00 C ATOM 2510 CG2 ILE A 165 5.908 16.763 -8.142 1.00 25.00 C ATOM 2511 CD1 ILE A 165 3.591 15.036 -7.270 1.00 25.00 C ATOM 0 H ILE A 165 5.567 17.839 -4.026 1.00 25.00 H new ATOM 0 HA ILE A 165 7.287 16.128 -5.748 1.00 25.00 H new ATOM 0 HB ILE A 165 4.754 17.502 -6.494 1.00 25.00 H new ATOM 0 HG12 ILE A 165 5.596 14.583 -6.744 1.00 25.00 H new ATOM 0 HG13 ILE A 165 4.625 15.207 -5.426 1.00 25.00 H new ATOM 0 HG21 ILE A 165 5.054 16.573 -8.792 1.00 25.00 H new ATOM 0 HG22 ILE A 165 6.311 17.753 -8.352 1.00 25.00 H new ATOM 0 HG23 ILE A 165 6.677 16.012 -8.324 1.00 25.00 H new ATOM 0 HD11 ILE A 165 3.250 14.026 -7.043 1.00 25.00 H new ATOM 0 HD12 ILE A 165 2.814 15.751 -6.997 1.00 25.00 H new ATOM 0 HD13 ILE A 165 3.800 15.117 -8.337 1.00 25.00 H new ATOM 2523 N ASP A 166 8.347 18.330 -6.456 1.00 25.00 N ATOM 2524 CA ASP A 166 8.993 19.617 -6.675 1.00 25.00 C ATOM 2525 C ASP A 166 8.669 20.030 -8.168 1.00 25.00 C ATOM 2526 O ASP A 166 8.985 19.244 -9.057 1.00 25.00 O ATOM 2527 CB ASP A 166 10.492 19.409 -6.485 1.00 25.00 C ATOM 2528 CG ASP A 166 11.281 20.753 -6.407 1.00 25.00 C ATOM 2529 OD1 ASP A 166 11.089 21.612 -7.287 1.00 25.00 O ATOM 2530 OD2 ASP A 166 12.094 20.921 -5.464 1.00 25.00 O1- ATOM 0 H ASP A 166 8.885 17.512 -6.741 1.00 25.00 H new ATOM 0 HA ASP A 166 8.651 20.394 -5.991 1.00 25.00 H new ATOM 0 HB2 ASP A 166 10.663 18.839 -5.572 1.00 25.00 H new ATOM 0 HB3 ASP A 166 10.879 18.812 -7.311 1.00 25.00 H new ATOM 2535 N VAL A 167 8.076 21.222 -8.378 1.00 25.00 N ATOM 2536 CA VAL A 167 7.736 21.540 -9.770 1.00 25.00 C ATOM 2537 C VAL A 167 8.403 22.866 -10.163 1.00 25.00 C ATOM 2538 O VAL A 167 8.753 23.752 -9.301 1.00 25.00 O ATOM 2539 CB VAL A 167 6.185 21.596 -10.000 1.00 25.00 C ATOM 2540 CG1 VAL A 167 5.599 20.198 -9.951 1.00 50.00 C ATOM 2541 CG2 VAL A 167 5.416 22.451 -8.987 1.00 50.00 C ATOM 0 H VAL A 167 7.841 21.920 -7.672 1.00 25.00 H new ATOM 0 HA VAL A 167 8.113 20.741 -10.409 1.00 25.00 H new ATOM 0 HB VAL A 167 6.068 22.062 -10.979 1.00 25.00 H new ATOM 0 HG11 VAL A 167 4.522 20.249 -10.112 1.00 50.00 H new ATOM 0 HG12 VAL A 167 6.054 19.585 -10.730 1.00 50.00 H new ATOM 0 HG13 VAL A 167 5.800 19.753 -8.976 1.00 50.00 H new ATOM 0 HG21 VAL A 167 4.353 22.430 -9.226 1.00 50.00 H new ATOM 0 HG22 VAL A 167 5.571 22.054 -7.984 1.00 50.00 H new ATOM 0 HG23 VAL A 167 5.777 23.479 -9.030 1.00 50.00 H new ATOM 2551 N ASP A 168 8.574 23.092 -11.477 1.00 25.00 N ATOM 2552 CA ASP A 168 8.902 24.419 -11.970 1.00 25.00 C ATOM 2553 C ASP A 168 7.690 24.703 -12.891 1.00 25.00 C ATOM 2554 O ASP A 168 7.491 24.081 -13.926 1.00 25.00 O ATOM 2555 CB ASP A 168 10.162 24.331 -12.738 1.00 25.00 C ATOM 2556 CG ASP A 168 10.851 25.665 -13.004 1.00 25.00 C ATOM 2557 OD1 ASP A 168 11.611 25.863 -13.993 1.00 25.00 O ATOM 2558 OD2 ASP A 168 10.686 26.521 -12.149 1.00 25.00 O1- ATOM 0 H ASP A 168 8.490 22.377 -12.199 1.00 25.00 H new ATOM 0 HA ASP A 168 9.054 25.189 -11.214 1.00 25.00 H new ATOM 0 HB2 ASP A 168 10.854 23.683 -12.199 1.00 25.00 H new ATOM 0 HB3 ASP A 168 9.954 23.850 -13.694 1.00 25.00 H new ATOM 2563 N LEU A 169 6.982 25.815 -12.553 1.00 25.00 N ATOM 2564 CA LEU A 169 5.765 26.215 -13.220 1.00 25.00 C ATOM 2565 C LEU A 169 6.106 27.487 -13.950 1.00 25.00 C ATOM 2566 O LEU A 169 6.062 28.582 -13.377 1.00 25.00 O ATOM 2567 CB LEU A 169 4.655 26.443 -12.195 1.00 25.00 C ATOM 2568 CG LEU A 169 4.303 25.240 -11.289 1.00 25.00 C ATOM 2569 CD1 LEU A 169 3.259 25.570 -10.163 1.00 50.00 C ATOM 2570 CD2 LEU A 169 3.974 23.901 -12.042 1.00 50.00 C ATOM 0 H LEU A 169 7.262 26.446 -11.802 1.00 25.00 H new ATOM 0 HA LEU A 169 5.401 25.453 -13.909 1.00 25.00 H new ATOM 0 HB2 LEU A 169 4.944 27.279 -11.558 1.00 25.00 H new ATOM 0 HB3 LEU A 169 3.754 26.745 -12.728 1.00 25.00 H new ATOM 0 HG LEU A 169 5.247 25.042 -10.781 1.00 25.00 H new ATOM 0 HD11 LEU A 169 3.066 24.675 -9.572 1.00 50.00 H new ATOM 0 HD12 LEU A 169 3.656 26.353 -9.517 1.00 50.00 H new ATOM 0 HD13 LEU A 169 2.329 25.912 -10.618 1.00 50.00 H new ATOM 0 HD21 LEU A 169 3.741 23.123 -11.315 1.00 50.00 H new ATOM 0 HD22 LEU A 169 3.117 24.053 -12.698 1.00 50.00 H new ATOM 0 HD23 LEU A 169 4.836 23.597 -12.636 1.00 50.00 H new ATOM 2582 N VAL A 170 6.440 27.404 -15.222 1.00 25.00 N ATOM 2583 CA VAL A 170 6.991 28.598 -15.918 1.00 25.00 C ATOM 2584 C VAL A 170 6.479 28.749 -17.354 1.00 25.00 C ATOM 2585 O VAL A 170 5.827 27.863 -17.870 1.00 25.00 O ATOM 2586 CB VAL A 170 8.536 28.422 -15.949 1.00 25.00 C ATOM 2587 CG1 VAL A 170 9.229 28.489 -14.511 1.00 50.00 C ATOM 2588 CG2 VAL A 170 8.948 27.086 -16.606 1.00 50.00 C ATOM 0 H VAL A 170 6.353 26.565 -15.796 1.00 25.00 H new ATOM 0 HA VAL A 170 6.675 29.493 -15.382 1.00 25.00 H new ATOM 0 HB VAL A 170 8.886 29.269 -16.539 1.00 25.00 H new ATOM 0 HG11 VAL A 170 10.306 28.358 -14.619 1.00 50.00 H new ATOM 0 HG12 VAL A 170 9.026 29.457 -14.054 1.00 50.00 H new ATOM 0 HG13 VAL A 170 8.829 27.698 -13.877 1.00 50.00 H new ATOM 0 HG21 VAL A 170 10.035 27.001 -16.608 1.00 50.00 H new ATOM 0 HG22 VAL A 170 8.521 26.256 -16.043 1.00 50.00 H new ATOM 0 HG23 VAL A 170 8.580 27.056 -17.631 1.00 50.00 H new ATOM 2598 N ASN A 171 6.802 29.869 -18.003 1.00 25.00 N ATOM 2599 CA ASN A 171 6.504 30.129 -19.409 1.00 25.00 C ATOM 2600 C ASN A 171 7.353 29.143 -20.208 1.00 25.00 C ATOM 2601 O ASN A 171 8.559 28.974 -19.954 1.00 25.00 O ATOM 2602 CB ASN A 171 6.789 31.580 -19.701 1.00 25.00 C ATOM 2603 CG ASN A 171 6.304 31.969 -21.051 1.00 25.00 C ATOM 2604 OD1 ASN A 171 5.180 31.584 -21.415 1.00 25.00 O ATOM 2605 ND2 ASN A 171 7.099 32.708 -21.794 1.00 25.00 N ATOM 0 H ASN A 171 7.292 30.641 -17.551 1.00 25.00 H new ATOM 0 HA ASN A 171 5.459 29.976 -19.679 1.00 25.00 H new ATOM 0 HB2 ASN A 171 6.310 32.205 -18.947 1.00 25.00 H new ATOM 0 HB3 ASN A 171 7.861 31.762 -19.632 1.00 25.00 H new ATOM 0 HD21 ASN A 171 6.803 32.997 -22.726 1.00 25.00 H new ATOM 0 HD22 ASN A 171 8.012 32.992 -21.438 1.00 25.00 H new ATOM 2612 N LYS A 172 6.753 28.446 -21.204 1.00 25.00 N ATOM 2613 CA LYS A 172 7.464 27.530 -22.054 1.00 25.00 C ATOM 2614 C LYS A 172 8.473 28.293 -22.931 1.00 25.00 C ATOM 2615 O LYS A 172 9.387 27.623 -23.390 1.00 25.00 O ATOM 2616 CB LYS A 172 6.494 26.718 -22.871 1.00 25.00 C ATOM 2617 CG LYS A 172 5.685 27.436 -24.019 1.00 25.00 C ATOM 2618 CD LYS A 172 4.523 26.624 -24.534 1.00 25.00 C ATOM 2619 CE LYS A 172 3.634 27.515 -25.480 1.00 25.00 C ATOM 2620 NZ LYS A 172 4.102 27.458 -26.948 1.00 25.00 N1+ ATOM 2621 OXT LYS A 172 8.375 29.523 -23.126 1.00 25.00 O1- ATOM 0 H LYS A 172 5.759 28.521 -21.420 1.00 25.00 H new ATOM 0 HA LYS A 172 8.033 26.831 -21.441 1.00 25.00 H new ATOM 0 HB2 LYS A 172 7.049 25.896 -23.322 1.00 25.00 H new ATOM 0 HB3 LYS A 172 5.772 26.276 -22.184 1.00 25.00 H new ATOM 0 HG2 LYS A 172 5.314 28.392 -23.648 1.00 25.00 H new ATOM 0 HG3 LYS A 172 6.360 27.655 -24.846 1.00 25.00 H new ATOM 0 HD2 LYS A 172 4.888 25.752 -25.076 1.00 25.00 H new ATOM 0 HD3 LYS A 172 3.927 26.254 -23.700 1.00 25.00 H new ATOM 0 HE2 LYS A 172 2.597 27.184 -25.418 1.00 25.00 H new ATOM 0 HE3 LYS A 172 3.660 28.548 -25.133 1.00 25.00 H new ATOM 0 HZ1 LYS A 172 3.487 28.060 -27.532 1.00 25.00 H new ATOM 0 HZ2 LYS A 172 5.082 27.799 -27.013 1.00 25.00 H new ATOM 0 HZ3 LYS A 172 4.053 26.477 -27.290 1.00 25.00 H new TER 2635 LYS A 172 HETATM 2636 CU CU1 A 173 -1.167 3.156 -1.522 1.00 0.00 CU