USER MOD reduce.3.24.130724 H: found=0, std=0, add=862, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 857 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 Single : A 1 GLY N :NH3+ -153:sc= 0.0348 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0873 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot -150:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.125 USER MOD Single : A 17 HIS : no HD1:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.0016 K(o=-0.0016,f=-1) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -100:sc= -0.0447 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.042 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0724 USER MOD Single : A 45 HIS : no HE2:sc= -4.71! C(o=-4.7!,f=-7.7!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 80:sc= -0.68 USER MOD Single : A 59 CYS SG : rot -30:sc= 0.0694 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 136:sc= 0.392 (180deg=-0.586!) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 GLN : amide:sc=-0.00117 X(o=-0.0012,f=-0.47) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 MET CE :methyl 178:sc= -0.0165 (180deg=-0.019) USER MOD Single : A 81 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.32) USER MOD Single : A 86 LYS NZ :NH3+ 143:sc= 0.473 (180deg=0.0343) USER MOD Single : A 89 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0141) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0564 X(o=-0.056,f=0) USER MOD Single : A 106 ASN : amide:sc= -0.559 K(o=-0.56,f=-1.7) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.663 -30.483 -18.852 1.00 0.00 N ATOM 2 CA GLY A 1 -2.399 -30.621 -19.577 1.00 0.00 C ATOM 3 C GLY A 1 -1.259 -30.333 -18.625 1.00 0.00 C ATOM 4 O GLY A 1 -1.292 -30.821 -17.495 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.386 -31.085 -19.296 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.530 -30.775 -17.863 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.973 -29.491 -18.881 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -2.305 -31.627 -19.985 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.370 -29.931 -20.421 1.00 0.00 H new ATOM 8 N SER A 2 -0.275 -29.540 -19.053 1.00 0.00 N ATOM 9 CA SER A 2 0.900 -29.205 -18.258 1.00 0.00 C ATOM 10 C SER A 2 1.174 -27.710 -18.433 1.00 0.00 C ATOM 11 O SER A 2 0.575 -26.899 -17.726 1.00 0.00 O ATOM 12 CB SER A 2 2.072 -30.125 -18.645 1.00 0.00 C ATOM 13 OG SER A 2 1.679 -31.483 -18.577 1.00 0.00 O ATOM 0 H SER A 2 -0.275 -29.107 -19.977 1.00 0.00 H new ATOM 0 HA SER A 2 0.743 -29.380 -17.194 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.410 -29.888 -19.654 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.915 -29.950 -17.977 1.00 0.00 H new ATOM 0 HG SER A 2 2.434 -32.055 -18.827 1.00 0.00 H new ATOM 19 N SER A 3 2.009 -27.345 -19.408 1.00 0.00 N ATOM 20 CA SER A 3 2.271 -25.971 -19.793 1.00 0.00 C ATOM 21 C SER A 3 1.019 -25.333 -20.406 1.00 0.00 C ATOM 22 O SER A 3 0.148 -26.023 -20.952 1.00 0.00 O ATOM 23 CB SER A 3 3.467 -25.975 -20.758 1.00 0.00 C ATOM 24 OG SER A 3 3.388 -27.054 -21.684 1.00 0.00 O ATOM 0 H SER A 3 2.533 -28.022 -19.963 1.00 0.00 H new ATOM 0 HA SER A 3 2.521 -25.363 -18.924 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.501 -25.030 -21.301 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.394 -26.049 -20.190 1.00 0.00 H new ATOM 0 HG SER A 3 4.162 -27.027 -22.284 1.00 0.00 H new ATOM 30 N GLY A 4 0.953 -24.007 -20.368 1.00 0.00 N ATOM 31 CA GLY A 4 -0.187 -23.186 -20.739 1.00 0.00 C ATOM 32 C GLY A 4 -0.225 -21.946 -19.850 1.00 0.00 C ATOM 33 O GLY A 4 0.606 -21.800 -18.950 1.00 0.00 O ATOM 0 H GLY A 4 1.745 -23.444 -20.058 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.114 -22.894 -21.787 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.110 -23.755 -20.630 1.00 0.00 H new ATOM 37 N SER A 5 -1.185 -21.057 -20.091 1.00 0.00 N ATOM 38 CA SER A 5 -1.411 -19.895 -19.247 1.00 0.00 C ATOM 39 C SER A 5 -1.769 -20.372 -17.836 1.00 0.00 C ATOM 40 O SER A 5 -2.525 -21.337 -17.685 1.00 0.00 O ATOM 41 CB SER A 5 -2.526 -19.036 -19.859 1.00 0.00 C ATOM 42 OG SER A 5 -2.613 -17.773 -19.219 1.00 0.00 O ATOM 0 H SER A 5 -1.828 -21.125 -20.880 1.00 0.00 H new ATOM 0 HA SER A 5 -0.513 -19.280 -19.182 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.337 -18.895 -20.923 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.479 -19.557 -19.771 1.00 0.00 H new ATOM 0 HG SER A 5 -3.330 -17.247 -19.630 1.00 0.00 H new ATOM 48 N SER A 6 -1.305 -19.653 -16.813 1.00 0.00 N ATOM 49 CA SER A 6 -1.479 -20.013 -15.414 1.00 0.00 C ATOM 50 C SER A 6 -2.204 -18.878 -14.686 1.00 0.00 C ATOM 51 O SER A 6 -1.635 -17.800 -14.488 1.00 0.00 O ATOM 52 CB SER A 6 -0.107 -20.301 -14.795 1.00 0.00 C ATOM 53 OG SER A 6 0.596 -21.286 -15.528 1.00 0.00 O ATOM 0 H SER A 6 -0.786 -18.784 -16.942 1.00 0.00 H new ATOM 0 HA SER A 6 -2.087 -20.913 -15.322 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.479 -19.382 -14.763 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.234 -20.634 -13.765 1.00 0.00 H new ATOM 0 HG SER A 6 1.467 -21.446 -15.109 1.00 0.00 H new ATOM 59 N GLY A 7 -3.464 -19.078 -14.309 1.00 0.00 N ATOM 60 CA GLY A 7 -4.254 -18.148 -13.516 1.00 0.00 C ATOM 61 C GLY A 7 -5.571 -18.816 -13.142 1.00 0.00 C ATOM 62 O GLY A 7 -5.952 -19.811 -13.757 1.00 0.00 O ATOM 0 H GLY A 7 -3.979 -19.923 -14.557 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.708 -17.860 -12.617 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.441 -17.235 -14.081 1.00 0.00 H new ATOM 66 N SER A 8 -6.274 -18.277 -12.149 1.00 0.00 N ATOM 67 CA SER A 8 -7.603 -18.713 -11.729 1.00 0.00 C ATOM 68 C SER A 8 -8.188 -17.640 -10.810 1.00 0.00 C ATOM 69 O SER A 8 -9.265 -17.119 -11.081 1.00 0.00 O ATOM 70 CB SER A 8 -7.522 -20.067 -11.001 1.00 0.00 C ATOM 71 OG SER A 8 -8.382 -21.022 -11.598 1.00 0.00 O ATOM 0 H SER A 8 -5.921 -17.497 -11.595 1.00 0.00 H new ATOM 0 HA SER A 8 -8.245 -18.847 -12.600 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.496 -20.434 -11.023 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.791 -19.936 -9.953 1.00 0.00 H new ATOM 0 HG SER A 8 -8.310 -21.873 -11.117 1.00 0.00 H new ATOM 77 N LEU A 9 -7.440 -17.274 -9.767 1.00 0.00 N ATOM 78 CA LEU A 9 -7.742 -16.260 -8.763 1.00 0.00 C ATOM 79 C LEU A 9 -8.178 -14.954 -9.423 1.00 0.00 C ATOM 80 O LEU A 9 -7.333 -14.272 -10.010 1.00 0.00 O ATOM 81 CB LEU A 9 -6.487 -16.043 -7.898 1.00 0.00 C ATOM 82 CG LEU A 9 -6.378 -16.944 -6.658 1.00 0.00 C ATOM 83 CD1 LEU A 9 -6.594 -18.434 -6.950 1.00 0.00 C ATOM 84 CD2 LEU A 9 -4.987 -16.756 -6.044 1.00 0.00 C ATOM 0 H LEU A 9 -6.537 -17.716 -9.592 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.568 -16.598 -8.137 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -5.606 -16.201 -8.520 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.465 -15.003 -7.573 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.174 -16.644 -5.976 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.501 -19.003 -6.025 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.589 -18.582 -7.369 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.845 -18.777 -7.664 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.890 -17.388 -5.161 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.227 -17.033 -6.774 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.853 -15.712 -5.759 1.00 0.00 H new ATOM 96 N GLN A 10 -9.466 -14.607 -9.326 1.00 0.00 N ATOM 97 CA GLN A 10 -9.951 -13.278 -9.686 1.00 0.00 C ATOM 98 C GLN A 10 -9.322 -12.238 -8.759 1.00 0.00 C ATOM 99 O GLN A 10 -9.000 -12.535 -7.606 1.00 0.00 O ATOM 100 CB GLN A 10 -11.478 -13.181 -9.534 1.00 0.00 C ATOM 101 CG GLN A 10 -12.277 -13.795 -10.691 1.00 0.00 C ATOM 102 CD GLN A 10 -12.644 -15.251 -10.437 1.00 0.00 C ATOM 103 OE1 GLN A 10 -12.097 -16.162 -11.053 1.00 0.00 O ATOM 104 NE2 GLN A 10 -13.582 -15.496 -9.540 1.00 0.00 N ATOM 0 H GLN A 10 -10.196 -15.239 -8.997 1.00 0.00 H new ATOM 0 HA GLN A 10 -9.679 -13.096 -10.726 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.769 -13.675 -8.607 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.754 -12.131 -9.437 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.187 -13.216 -10.847 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.693 -13.725 -11.609 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -14.023 -14.724 -9.040 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -13.865 -16.457 -9.347 1.00 0.00 H new ATOM 113 N THR A 11 -9.228 -10.992 -9.222 1.00 0.00 N ATOM 114 CA THR A 11 -8.813 -9.866 -8.399 1.00 0.00 C ATOM 115 C THR A 11 -9.768 -8.682 -8.603 1.00 0.00 C ATOM 116 O THR A 11 -10.589 -8.692 -9.522 1.00 0.00 O ATOM 117 CB THR A 11 -7.314 -9.547 -8.629 1.00 0.00 C ATOM 118 OG1 THR A 11 -6.899 -9.376 -9.979 1.00 0.00 O ATOM 119 CG2 THR A 11 -6.436 -10.669 -8.071 1.00 0.00 C ATOM 0 H THR A 11 -9.440 -10.738 -10.187 1.00 0.00 H new ATOM 0 HA THR A 11 -8.888 -10.120 -7.342 1.00 0.00 H new ATOM 0 HB THR A 11 -7.195 -8.591 -8.120 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.963 -9.651 -10.071 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.387 -10.429 -8.241 1.00 0.00 H new ATOM 0 HG22 THR A 11 -6.616 -10.773 -7.001 1.00 0.00 H new ATOM 0 HG23 THR A 11 -6.680 -11.605 -8.573 1.00 0.00 H new ATOM 127 N SER A 12 -9.662 -7.655 -7.762 1.00 0.00 N ATOM 128 CA SER A 12 -9.954 -6.277 -8.137 1.00 0.00 C ATOM 129 C SER A 12 -8.625 -5.545 -7.969 1.00 0.00 C ATOM 130 O SER A 12 -7.750 -6.005 -7.230 1.00 0.00 O ATOM 131 CB SER A 12 -11.076 -5.686 -7.262 1.00 0.00 C ATOM 132 OG SER A 12 -11.143 -4.288 -7.240 1.00 0.00 O ATOM 0 H SER A 12 -9.368 -7.760 -6.791 1.00 0.00 H new ATOM 0 HA SER A 12 -10.328 -6.187 -9.157 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.032 -6.074 -7.615 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.944 -6.043 -6.241 1.00 0.00 H new ATOM 0 HG SER A 12 -11.883 -4.005 -6.663 1.00 0.00 H new ATOM 138 N ASP A 13 -8.491 -4.407 -8.634 1.00 0.00 N ATOM 139 CA ASP A 13 -7.379 -3.484 -8.538 1.00 0.00 C ATOM 140 C ASP A 13 -7.999 -2.111 -8.296 1.00 0.00 C ATOM 141 O ASP A 13 -8.460 -1.426 -9.211 1.00 0.00 O ATOM 142 CB ASP A 13 -6.451 -3.593 -9.762 1.00 0.00 C ATOM 143 CG ASP A 13 -7.115 -3.439 -11.134 1.00 0.00 C ATOM 144 OD1 ASP A 13 -7.927 -4.311 -11.524 1.00 0.00 O ATOM 145 OD2 ASP A 13 -6.682 -2.546 -11.899 1.00 0.00 O ATOM 0 H ASP A 13 -9.201 -4.088 -9.294 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.706 -3.710 -7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -5.674 -2.834 -9.671 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.954 -4.563 -9.729 1.00 0.00 H new ATOM 150 N VAL A 14 -8.088 -1.749 -7.016 1.00 0.00 N ATOM 151 CA VAL A 14 -8.757 -0.568 -6.514 1.00 0.00 C ATOM 152 C VAL A 14 -7.718 0.543 -6.421 1.00 0.00 C ATOM 153 O VAL A 14 -6.943 0.603 -5.464 1.00 0.00 O ATOM 154 CB VAL A 14 -9.510 -0.849 -5.186 1.00 0.00 C ATOM 155 CG1 VAL A 14 -10.379 0.380 -4.906 1.00 0.00 C ATOM 156 CG2 VAL A 14 -10.416 -2.104 -5.310 1.00 0.00 C ATOM 0 H VAL A 14 -7.671 -2.306 -6.270 1.00 0.00 H new ATOM 0 HA VAL A 14 -9.545 -0.247 -7.195 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.798 -1.037 -4.382 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.931 0.231 -3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.744 1.261 -4.813 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.081 0.524 -5.727 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.931 -2.276 -4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -11.151 -1.946 -6.100 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.804 -2.972 -5.553 1.00 0.00 H new ATOM 166 N VAL A 15 -7.665 1.378 -7.458 1.00 0.00 N ATOM 167 CA VAL A 15 -6.816 2.553 -7.492 1.00 0.00 C ATOM 168 C VAL A 15 -7.481 3.698 -6.713 1.00 0.00 C ATOM 169 O VAL A 15 -8.685 3.951 -6.847 1.00 0.00 O ATOM 170 CB VAL A 15 -6.474 2.893 -8.955 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.673 3.386 -9.780 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.375 3.946 -9.000 1.00 0.00 C ATOM 0 H VAL A 15 -8.219 1.250 -8.305 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.866 2.367 -6.992 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.143 1.958 -9.408 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.349 3.604 -10.798 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -8.442 2.614 -9.801 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -8.079 4.290 -9.327 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.139 4.181 -10.038 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.715 4.848 -8.492 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.484 3.563 -8.503 1.00 0.00 H new ATOM 182 N ILE A 16 -6.703 4.394 -5.884 1.00 0.00 N ATOM 183 CA ILE A 16 -7.124 5.559 -5.119 1.00 0.00 C ATOM 184 C ILE A 16 -6.065 6.647 -5.306 1.00 0.00 C ATOM 185 O ILE A 16 -4.879 6.426 -5.062 1.00 0.00 O ATOM 186 CB ILE A 16 -7.360 5.183 -3.638 1.00 0.00 C ATOM 187 CG1 ILE A 16 -8.508 4.157 -3.491 1.00 0.00 C ATOM 188 CG2 ILE A 16 -7.740 6.425 -2.806 1.00 0.00 C ATOM 189 CD1 ILE A 16 -8.423 3.333 -2.210 1.00 0.00 C ATOM 0 H ILE A 16 -5.726 4.149 -5.724 1.00 0.00 H new ATOM 0 HA ILE A 16 -8.080 5.942 -5.477 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.426 4.753 -3.277 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.462 4.684 -3.513 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -8.496 3.484 -4.349 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.900 6.133 -1.768 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -6.934 7.157 -2.856 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.654 6.864 -3.205 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -9.258 2.634 -2.171 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.485 2.778 -2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -8.465 3.997 -1.347 1.00 0.00 H new ATOM 201 N HIS A 17 -6.523 7.825 -5.725 1.00 0.00 N ATOM 202 CA HIS A 17 -5.733 9.048 -5.810 1.00 0.00 C ATOM 203 C HIS A 17 -5.815 9.784 -4.472 1.00 0.00 C ATOM 204 O HIS A 17 -6.787 9.599 -3.736 1.00 0.00 O ATOM 205 CB HIS A 17 -6.324 9.955 -6.902 1.00 0.00 C ATOM 206 CG HIS A 17 -6.348 9.313 -8.264 1.00 0.00 C ATOM 207 ND1 HIS A 17 -5.372 9.438 -9.224 1.00 0.00 N ATOM 208 CD2 HIS A 17 -7.243 8.372 -8.705 1.00 0.00 C ATOM 209 CE1 HIS A 17 -5.657 8.570 -10.206 1.00 0.00 C ATOM 210 NE2 HIS A 17 -6.779 7.891 -9.927 1.00 0.00 N ATOM 0 H HIS A 17 -7.489 7.957 -6.025 1.00 0.00 H new ATOM 0 HA HIS A 17 -4.698 8.802 -6.046 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -7.340 10.234 -6.622 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -5.743 10.876 -6.953 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -8.144 8.061 -8.197 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.064 8.436 -11.099 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -7.209 7.164 -10.498 1.00 0.00 H new ATOM 218 N ARG A 18 -4.895 10.713 -4.197 1.00 0.00 N ATOM 219 CA ARG A 18 -5.085 11.744 -3.174 1.00 0.00 C ATOM 220 C ARG A 18 -4.433 13.030 -3.654 1.00 0.00 C ATOM 221 O ARG A 18 -4.060 13.131 -4.825 1.00 0.00 O ATOM 222 CB ARG A 18 -4.552 11.270 -1.812 1.00 0.00 C ATOM 223 CG ARG A 18 -3.072 10.867 -1.869 1.00 0.00 C ATOM 224 CD ARG A 18 -2.497 10.522 -0.497 1.00 0.00 C ATOM 225 NE ARG A 18 -1.096 10.104 -0.641 1.00 0.00 N ATOM 226 CZ ARG A 18 -0.007 10.871 -0.536 1.00 0.00 C ATOM 227 NH1 ARG A 18 -0.061 12.117 -0.082 1.00 0.00 N ATOM 228 NH2 ARG A 18 1.162 10.380 -0.909 1.00 0.00 N ATOM 0 H ARG A 18 -3.997 10.771 -4.678 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.147 11.939 -3.023 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.681 12.066 -1.078 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.144 10.421 -1.469 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.960 10.008 -2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.495 11.683 -2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.563 11.386 0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.080 9.724 -0.037 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.937 9.117 -0.844 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.955 12.519 0.201 1.00 0.00 H new ATOM 0 HH12 ARG A 18 0.792 12.673 -0.016 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.223 9.428 -1.271 1.00 0.00 H new ATOM 0 HH22 ARG A 18 2.003 10.953 -0.835 1.00 0.00 H new ATOM 242 N LYS A 19 -4.342 14.030 -2.787 1.00 0.00 N ATOM 243 CA LYS A 19 -3.434 15.146 -2.963 1.00 0.00 C ATOM 244 C LYS A 19 -2.220 14.911 -2.062 1.00 0.00 C ATOM 245 O LYS A 19 -2.236 14.027 -1.202 1.00 0.00 O ATOM 246 CB LYS A 19 -4.132 16.471 -2.693 1.00 0.00 C ATOM 247 CG LYS A 19 -5.187 16.801 -3.763 1.00 0.00 C ATOM 248 CD LYS A 19 -6.609 16.305 -3.468 1.00 0.00 C ATOM 249 CE LYS A 19 -7.004 14.927 -4.020 1.00 0.00 C ATOM 250 NZ LYS A 19 -8.469 14.800 -4.172 1.00 0.00 N ATOM 0 H LYS A 19 -4.902 14.086 -1.937 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.094 15.208 -3.997 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -4.609 16.435 -1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.391 17.269 -2.658 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.219 17.883 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.862 16.374 -4.712 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.742 16.286 -2.386 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.311 17.040 -3.862 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.523 14.770 -4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.638 14.148 -3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.699 13.857 -4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.926 14.925 -3.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -8.814 15.528 -4.830 1.00 0.00 H new ATOM 264 N GLU A 20 -1.153 15.685 -2.233 1.00 0.00 N ATOM 265 CA GLU A 20 0.055 15.496 -1.431 1.00 0.00 C ATOM 266 C GLU A 20 -0.137 15.922 0.023 1.00 0.00 C ATOM 267 O GLU A 20 0.436 15.293 0.908 1.00 0.00 O ATOM 268 CB GLU A 20 1.246 16.209 -2.076 1.00 0.00 C ATOM 269 CG GLU A 20 1.123 17.727 -1.979 1.00 0.00 C ATOM 270 CD GLU A 20 2.088 18.492 -2.874 1.00 0.00 C ATOM 271 OE1 GLU A 20 2.986 17.886 -3.508 1.00 0.00 O ATOM 272 OE2 GLU A 20 1.906 19.730 -2.950 1.00 0.00 O ATOM 0 H GLU A 20 -1.098 16.443 -2.913 1.00 0.00 H new ATOM 0 HA GLU A 20 0.267 14.427 -1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 20 2.167 15.888 -1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.320 15.917 -3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.103 18.014 -2.235 1.00 0.00 H new ATOM 0 HG3 GLU A 20 1.289 18.028 -0.945 1.00 0.00 H new ATOM 279 N ASN A 21 -0.948 16.953 0.281 1.00 0.00 N ATOM 280 CA ASN A 21 -1.096 17.589 1.598 1.00 0.00 C ATOM 281 C ASN A 21 -1.900 16.737 2.588 1.00 0.00 C ATOM 282 O ASN A 21 -2.280 17.187 3.669 1.00 0.00 O ATOM 283 CB ASN A 21 -1.766 18.962 1.427 1.00 0.00 C ATOM 284 CG ASN A 21 -1.102 20.010 2.308 1.00 0.00 C ATOM 285 OD1 ASN A 21 -1.109 19.941 3.534 1.00 0.00 O ATOM 286 ND2 ASN A 21 -0.447 20.975 1.687 1.00 0.00 N ATOM 0 H ASN A 21 -1.535 17.380 -0.436 1.00 0.00 H new ATOM 0 HA ASN A 21 -0.097 17.700 2.019 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.708 19.271 0.383 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.824 18.888 1.679 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.062 21.675 2.227 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.450 21.020 0.668 1.00 0.00 H new ATOM 293 N GLU A 22 -2.238 15.514 2.204 1.00 0.00 N ATOM 294 CA GLU A 22 -3.160 14.624 2.876 1.00 0.00 C ATOM 295 C GLU A 22 -2.659 13.190 2.747 1.00 0.00 C ATOM 296 O GLU A 22 -1.676 12.919 2.045 1.00 0.00 O ATOM 297 CB GLU A 22 -4.577 14.833 2.302 1.00 0.00 C ATOM 298 CG GLU A 22 -4.633 14.619 0.785 1.00 0.00 C ATOM 299 CD GLU A 22 -5.992 14.894 0.153 1.00 0.00 C ATOM 300 OE1 GLU A 22 -6.600 15.946 0.461 1.00 0.00 O ATOM 301 OE2 GLU A 22 -6.354 14.149 -0.787 1.00 0.00 O ATOM 0 H GLU A 22 -1.848 15.095 1.360 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.215 14.844 3.942 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.268 14.145 2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -4.915 15.842 2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.891 15.263 0.313 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.347 13.590 0.566 1.00 0.00 H new ATOM 308 N GLY A 23 -3.313 12.281 3.462 1.00 0.00 N ATOM 309 CA GLY A 23 -3.014 10.861 3.455 1.00 0.00 C ATOM 310 C GLY A 23 -4.051 10.089 2.655 1.00 0.00 C ATOM 311 O GLY A 23 -5.032 10.648 2.162 1.00 0.00 O ATOM 0 H GLY A 23 -4.088 12.523 4.079 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.024 10.696 3.029 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.987 10.487 4.478 1.00 0.00 H new ATOM 315 N PHE A 24 -3.829 8.784 2.527 1.00 0.00 N ATOM 316 CA PHE A 24 -4.857 7.857 2.111 1.00 0.00 C ATOM 317 C PHE A 24 -5.663 7.496 3.356 1.00 0.00 C ATOM 318 O PHE A 24 -5.095 7.186 4.409 1.00 0.00 O ATOM 319 CB PHE A 24 -4.239 6.612 1.481 1.00 0.00 C ATOM 320 CG PHE A 24 -3.368 6.855 0.266 1.00 0.00 C ATOM 321 CD1 PHE A 24 -3.963 7.113 -0.983 1.00 0.00 C ATOM 322 CD2 PHE A 24 -1.965 6.778 0.370 1.00 0.00 C ATOM 323 CE1 PHE A 24 -3.155 7.306 -2.115 1.00 0.00 C ATOM 324 CE2 PHE A 24 -1.162 6.936 -0.774 1.00 0.00 C ATOM 325 CZ PHE A 24 -1.759 7.195 -2.018 1.00 0.00 C ATOM 0 H PHE A 24 -2.926 8.346 2.711 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.501 8.307 1.355 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -3.642 6.103 2.237 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -5.043 5.933 1.199 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -5.038 7.162 -1.071 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -1.505 6.597 1.330 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.610 7.541 -3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.088 6.858 -0.696 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.145 7.309 -2.899 1.00 0.00 H new ATOM 335 N GLY A 25 -6.985 7.524 3.249 1.00 0.00 N ATOM 336 CA GLY A 25 -7.907 7.384 4.365 1.00 0.00 C ATOM 337 C GLY A 25 -8.423 5.962 4.524 1.00 0.00 C ATOM 338 O GLY A 25 -9.635 5.760 4.503 1.00 0.00 O ATOM 0 H GLY A 25 -7.459 7.649 2.354 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.408 7.690 5.284 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.751 8.059 4.221 1.00 0.00 H new ATOM 342 N PHE A 26 -7.536 4.987 4.688 1.00 0.00 N ATOM 343 CA PHE A 26 -7.851 3.601 5.016 1.00 0.00 C ATOM 344 C PHE A 26 -6.852 3.120 6.055 1.00 0.00 C ATOM 345 O PHE A 26 -5.835 3.779 6.285 1.00 0.00 O ATOM 346 CB PHE A 26 -7.864 2.720 3.750 1.00 0.00 C ATOM 347 CG PHE A 26 -6.506 2.450 3.106 1.00 0.00 C ATOM 348 CD1 PHE A 26 -5.828 3.474 2.419 1.00 0.00 C ATOM 349 CD2 PHE A 26 -5.925 1.168 3.166 1.00 0.00 C ATOM 350 CE1 PHE A 26 -4.574 3.224 1.832 1.00 0.00 C ATOM 351 CE2 PHE A 26 -4.676 0.919 2.564 1.00 0.00 C ATOM 352 CZ PHE A 26 -3.994 1.951 1.895 1.00 0.00 C ATOM 0 H PHE A 26 -6.533 5.148 4.592 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.854 3.529 5.436 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.320 1.763 4.003 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.507 3.194 3.009 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.272 4.456 2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.441 0.369 3.678 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.052 4.023 1.327 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.241 -0.068 2.616 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.035 1.764 1.435 1.00 0.00 H new ATOM 362 N VAL A 27 -7.129 1.976 6.670 1.00 0.00 N ATOM 363 CA VAL A 27 -6.256 1.324 7.631 1.00 0.00 C ATOM 364 C VAL A 27 -6.167 -0.149 7.235 1.00 0.00 C ATOM 365 O VAL A 27 -7.097 -0.669 6.611 1.00 0.00 O ATOM 366 CB VAL A 27 -6.815 1.565 9.055 1.00 0.00 C ATOM 367 CG1 VAL A 27 -7.762 0.455 9.493 1.00 0.00 C ATOM 368 CG2 VAL A 27 -5.709 1.713 10.102 1.00 0.00 C ATOM 0 H VAL A 27 -7.995 1.463 6.506 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.243 1.727 7.632 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.366 2.504 8.993 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -8.130 0.666 10.497 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -8.604 0.401 8.802 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -7.231 -0.497 9.493 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.156 1.880 11.082 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.108 0.804 10.127 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.074 2.561 9.843 1.00 0.00 H new ATOM 378 N ILE A 28 -5.115 -0.845 7.654 1.00 0.00 N ATOM 379 CA ILE A 28 -4.928 -2.266 7.409 1.00 0.00 C ATOM 380 C ILE A 28 -4.903 -2.943 8.779 1.00 0.00 C ATOM 381 O ILE A 28 -4.259 -2.433 9.703 1.00 0.00 O ATOM 382 CB ILE A 28 -3.615 -2.474 6.635 1.00 0.00 C ATOM 383 CG1 ILE A 28 -3.580 -1.714 5.288 1.00 0.00 C ATOM 384 CG2 ILE A 28 -3.328 -3.959 6.375 1.00 0.00 C ATOM 385 CD1 ILE A 28 -2.153 -1.342 4.885 1.00 0.00 C ATOM 0 H ILE A 28 -4.353 -0.425 8.185 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.726 -2.696 6.804 1.00 0.00 H new ATOM 0 HB ILE A 28 -2.840 -2.063 7.282 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.028 -2.332 4.510 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.184 -0.810 5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.392 -4.058 5.826 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.249 -4.486 7.326 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.140 -4.389 5.788 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.171 -0.810 3.934 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -1.714 -0.703 5.651 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -1.556 -2.248 4.783 1.00 0.00 H new ATOM 397 N ILE A 29 -5.600 -4.072 8.926 1.00 0.00 N ATOM 398 CA ILE A 29 -5.605 -4.871 10.132 1.00 0.00 C ATOM 399 C ILE A 29 -5.324 -6.339 9.781 1.00 0.00 C ATOM 400 O ILE A 29 -5.571 -6.776 8.646 1.00 0.00 O ATOM 401 CB ILE A 29 -6.920 -4.621 10.903 1.00 0.00 C ATOM 402 CG1 ILE A 29 -8.124 -5.483 10.470 1.00 0.00 C ATOM 403 CG2 ILE A 29 -7.314 -3.130 10.923 1.00 0.00 C ATOM 404 CD1 ILE A 29 -9.302 -5.378 11.451 1.00 0.00 C ATOM 0 H ILE A 29 -6.187 -4.457 8.186 1.00 0.00 H new ATOM 0 HA ILE A 29 -4.804 -4.579 10.811 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.676 -4.946 11.915 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.452 -5.172 9.478 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.812 -6.524 10.391 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.245 -3.007 11.477 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.526 -2.552 11.405 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -7.450 -2.776 9.901 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -10.124 -6.003 11.101 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -8.985 -5.715 12.438 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.634 -4.342 11.511 1.00 0.00 H new ATOM 416 N SER A 30 -4.825 -7.108 10.752 1.00 0.00 N ATOM 417 CA SER A 30 -4.392 -8.490 10.595 1.00 0.00 C ATOM 418 C SER A 30 -4.177 -9.114 11.975 1.00 0.00 C ATOM 419 O SER A 30 -4.832 -10.105 12.301 1.00 0.00 O ATOM 420 CB SER A 30 -3.123 -8.533 9.732 1.00 0.00 C ATOM 421 OG SER A 30 -2.694 -9.863 9.505 1.00 0.00 O ATOM 0 H SER A 30 -4.709 -6.767 11.706 1.00 0.00 H new ATOM 0 HA SER A 30 -5.157 -9.075 10.084 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.315 -8.044 8.777 1.00 0.00 H new ATOM 0 HB3 SER A 30 -2.328 -7.972 10.224 1.00 0.00 H new ATOM 0 HG SER A 30 -1.885 -9.856 8.951 1.00 0.00 H new ATOM 427 N SER A 31 -3.282 -8.531 12.781 1.00 0.00 N ATOM 428 CA SER A 31 -2.781 -9.054 14.052 1.00 0.00 C ATOM 429 C SER A 31 -2.013 -10.377 13.885 1.00 0.00 C ATOM 430 O SER A 31 -0.799 -10.386 14.093 1.00 0.00 O ATOM 431 CB SER A 31 -3.891 -9.122 15.105 1.00 0.00 C ATOM 432 OG SER A 31 -4.499 -7.850 15.246 1.00 0.00 O ATOM 0 H SER A 31 -2.866 -7.630 12.548 1.00 0.00 H new ATOM 0 HA SER A 31 -2.044 -8.345 14.428 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.637 -9.861 14.813 1.00 0.00 H new ATOM 0 HB3 SER A 31 -3.479 -9.446 16.061 1.00 0.00 H new ATOM 0 HG SER A 31 -5.209 -7.900 15.919 1.00 0.00 H new ATOM 438 N LEU A 32 -2.685 -11.460 13.476 1.00 0.00 N ATOM 439 CA LEU A 32 -2.158 -12.790 13.128 1.00 0.00 C ATOM 440 C LEU A 32 -1.835 -13.697 14.331 1.00 0.00 C ATOM 441 O LEU A 32 -1.441 -14.853 14.130 1.00 0.00 O ATOM 442 CB LEU A 32 -0.991 -12.699 12.117 1.00 0.00 C ATOM 443 CG LEU A 32 -0.997 -13.865 11.102 1.00 0.00 C ATOM 444 CD1 LEU A 32 -1.469 -13.387 9.722 1.00 0.00 C ATOM 445 CD2 LEU A 32 0.379 -14.524 10.973 1.00 0.00 C ATOM 0 H LEU A 32 -3.699 -11.428 13.370 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.985 -13.299 12.632 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.053 -11.753 11.579 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.045 -12.697 12.658 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.695 -14.610 11.485 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.465 -14.225 9.025 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.480 -12.987 9.802 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.798 -12.609 9.357 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.326 -15.337 10.249 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.106 -13.785 10.636 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.685 -14.919 11.942 1.00 0.00 H new ATOM 457 N ASN A 33 -2.048 -13.202 15.553 1.00 0.00 N ATOM 458 CA ASN A 33 -1.834 -13.867 16.843 1.00 0.00 C ATOM 459 C ASN A 33 -2.747 -15.095 17.024 1.00 0.00 C ATOM 460 O ASN A 33 -3.518 -15.446 16.125 1.00 0.00 O ATOM 461 CB ASN A 33 -2.071 -12.845 17.972 1.00 0.00 C ATOM 462 CG ASN A 33 -1.098 -11.677 17.900 1.00 0.00 C ATOM 463 OD1 ASN A 33 -1.341 -10.716 17.172 1.00 0.00 O ATOM 464 ND2 ASN A 33 0.006 -11.740 18.620 1.00 0.00 N ATOM 0 H ASN A 33 -2.402 -12.253 15.677 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.808 -14.234 16.877 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -3.093 -12.470 17.912 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.970 -13.342 18.937 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.684 -10.979 18.581 1.00 0.00 H new ATOM 0 HD22 ASN A 33 0.181 -12.550 19.215 1.00 0.00 H new ATOM 471 N ARG A 34 -2.674 -15.768 18.182 1.00 0.00 N ATOM 472 CA ARG A 34 -3.560 -16.877 18.561 1.00 0.00 C ATOM 473 C ARG A 34 -3.927 -16.720 20.032 1.00 0.00 C ATOM 474 O ARG A 34 -2.991 -16.570 20.818 1.00 0.00 O ATOM 475 CB ARG A 34 -2.877 -18.242 18.393 1.00 0.00 C ATOM 476 CG ARG A 34 -2.349 -18.500 16.974 1.00 0.00 C ATOM 477 CD ARG A 34 -0.862 -18.154 16.907 1.00 0.00 C ATOM 478 NE ARG A 34 -0.490 -17.316 15.764 1.00 0.00 N ATOM 479 CZ ARG A 34 0.779 -17.101 15.409 1.00 0.00 C ATOM 480 NH1 ARG A 34 1.765 -17.787 15.990 1.00 0.00 N ATOM 481 NH2 ARG A 34 1.041 -16.181 14.496 1.00 0.00 N ATOM 0 H ARG A 34 -1.980 -15.550 18.898 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.436 -16.843 17.913 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.048 -18.312 19.097 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.586 -19.027 18.655 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -2.502 -19.545 16.703 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.905 -17.899 16.254 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.578 -17.642 17.826 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.287 -19.079 16.867 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.231 -16.879 15.217 1.00 0.00 H new ATOM 0 HH11 ARG A 34 1.551 -18.479 16.708 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.733 -17.620 15.716 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.279 -15.649 14.075 1.00 0.00 H new ATOM 0 HH22 ARG A 34 2.005 -16.003 14.213 1.00 0.00 H new ATOM 495 N PRO A 35 -5.206 -16.796 20.443 1.00 0.00 N ATOM 496 CA PRO A 35 -5.570 -16.676 21.853 1.00 0.00 C ATOM 497 C PRO A 35 -4.885 -17.739 22.717 1.00 0.00 C ATOM 498 O PRO A 35 -4.408 -17.430 23.811 1.00 0.00 O ATOM 499 CB PRO A 35 -7.100 -16.786 21.912 1.00 0.00 C ATOM 500 CG PRO A 35 -7.548 -16.450 20.490 1.00 0.00 C ATOM 501 CD PRO A 35 -6.396 -16.953 19.621 1.00 0.00 C ATOM 0 HA PRO A 35 -5.232 -15.723 22.260 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -7.418 -17.787 22.205 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -7.523 -16.092 22.639 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.486 -16.945 20.238 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -7.708 -15.379 20.363 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.543 -17.994 19.335 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.317 -16.377 18.699 1.00 0.00 H new ATOM 509 N GLU A 36 -4.826 -18.973 22.213 1.00 0.00 N ATOM 510 CA GLU A 36 -4.239 -20.139 22.863 1.00 0.00 C ATOM 511 C GLU A 36 -3.897 -21.136 21.745 1.00 0.00 C ATOM 512 O GLU A 36 -2.756 -21.184 21.281 1.00 0.00 O ATOM 513 CB GLU A 36 -5.228 -20.697 23.925 1.00 0.00 C ATOM 514 CG GLU A 36 -4.604 -20.813 25.321 1.00 0.00 C ATOM 515 CD GLU A 36 -3.417 -21.769 25.390 1.00 0.00 C ATOM 516 OE1 GLU A 36 -3.363 -22.751 24.621 1.00 0.00 O ATOM 517 OE2 GLU A 36 -2.520 -21.549 26.238 1.00 0.00 O ATOM 0 H GLU A 36 -5.207 -19.194 21.293 1.00 0.00 H new ATOM 0 HA GLU A 36 -3.326 -19.906 23.411 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.102 -20.048 23.976 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.579 -21.679 23.607 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.281 -19.824 25.647 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.368 -21.147 26.023 1.00 0.00 H new ATOM 524 N SER A 37 -4.904 -21.840 21.221 1.00 0.00 N ATOM 525 CA SER A 37 -4.845 -22.770 20.095 1.00 0.00 C ATOM 526 C SER A 37 -6.124 -22.631 19.257 1.00 0.00 C ATOM 527 O SER A 37 -6.898 -21.693 19.476 1.00 0.00 O ATOM 528 CB SER A 37 -4.619 -24.189 20.634 1.00 0.00 C ATOM 529 OG SER A 37 -5.705 -24.606 21.444 1.00 0.00 O ATOM 0 H SER A 37 -5.848 -21.768 21.601 1.00 0.00 H new ATOM 0 HA SER A 37 -4.010 -22.542 19.433 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.495 -24.882 19.802 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.696 -24.219 21.214 1.00 0.00 H new ATOM 0 HG SER A 37 -5.538 -25.514 21.774 1.00 0.00 H new ATOM 535 N GLY A 38 -6.368 -23.547 18.313 1.00 0.00 N ATOM 536 CA GLY A 38 -7.653 -23.657 17.625 1.00 0.00 C ATOM 537 C GLY A 38 -7.997 -22.441 16.762 1.00 0.00 C ATOM 538 O GLY A 38 -9.169 -22.239 16.440 1.00 0.00 O ATOM 0 H GLY A 38 -5.677 -24.232 18.006 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -7.643 -24.547 16.995 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.440 -23.800 18.365 1.00 0.00 H new ATOM 542 N SER A 39 -7.013 -21.603 16.427 1.00 0.00 N ATOM 543 CA SER A 39 -7.255 -20.329 15.762 1.00 0.00 C ATOM 544 C SER A 39 -7.830 -20.558 14.370 1.00 0.00 C ATOM 545 O SER A 39 -7.471 -21.523 13.686 1.00 0.00 O ATOM 546 CB SER A 39 -5.958 -19.526 15.655 1.00 0.00 C ATOM 547 OG SER A 39 -5.262 -19.571 16.880 1.00 0.00 O ATOM 0 H SER A 39 -6.028 -21.792 16.611 1.00 0.00 H new ATOM 0 HA SER A 39 -7.974 -19.765 16.357 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.335 -19.931 14.858 1.00 0.00 H new ATOM 0 HB3 SER A 39 -6.181 -18.492 15.392 1.00 0.00 H new ATOM 0 HG SER A 39 -5.423 -18.742 17.378 1.00 0.00 H new ATOM 553 N THR A 40 -8.683 -19.642 13.930 1.00 0.00 N ATOM 554 CA THR A 40 -9.126 -19.531 12.552 1.00 0.00 C ATOM 555 C THR A 40 -7.942 -19.117 11.662 1.00 0.00 C ATOM 556 O THR A 40 -6.953 -18.541 12.138 1.00 0.00 O ATOM 557 CB THR A 40 -10.275 -18.498 12.515 1.00 0.00 C ATOM 558 OG1 THR A 40 -9.936 -17.348 13.276 1.00 0.00 O ATOM 559 CG2 THR A 40 -11.557 -19.079 13.117 1.00 0.00 C ATOM 0 H THR A 40 -9.096 -18.937 14.541 1.00 0.00 H new ATOM 0 HA THR A 40 -9.493 -20.483 12.169 1.00 0.00 H new ATOM 0 HB THR A 40 -10.434 -18.237 11.469 1.00 0.00 H new ATOM 0 HG1 THR A 40 -10.673 -16.703 13.241 1.00 0.00 H new ATOM 0 HG21 THR A 40 -12.349 -18.331 13.078 1.00 0.00 H new ATOM 0 HG22 THR A 40 -11.860 -19.958 12.548 1.00 0.00 H new ATOM 0 HG23 THR A 40 -11.376 -19.362 14.154 1.00 0.00 H new ATOM 567 N ILE A 41 -8.046 -19.338 10.347 1.00 0.00 N ATOM 568 CA ILE A 41 -7.210 -18.618 9.394 1.00 0.00 C ATOM 569 C ILE A 41 -7.750 -17.185 9.402 1.00 0.00 C ATOM 570 O ILE A 41 -8.845 -16.944 8.878 1.00 0.00 O ATOM 571 CB ILE A 41 -7.207 -19.236 7.968 1.00 0.00 C ATOM 572 CG1 ILE A 41 -7.049 -20.771 7.930 1.00 0.00 C ATOM 573 CG2 ILE A 41 -6.042 -18.622 7.170 1.00 0.00 C ATOM 574 CD1 ILE A 41 -8.384 -21.519 7.938 1.00 0.00 C ATOM 0 H ILE A 41 -8.695 -20.003 9.927 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.161 -18.668 9.687 1.00 0.00 H new ATOM 0 HB ILE A 41 -8.184 -19.010 7.541 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -6.490 -21.049 7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.457 -21.089 8.788 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.026 -19.046 6.166 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.174 -17.542 7.106 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.100 -18.843 7.672 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -8.200 -22.593 7.910 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -8.936 -21.269 8.844 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.969 -21.229 7.065 1.00 0.00 H new ATOM 586 N THR A 42 -7.040 -16.242 10.025 1.00 0.00 N ATOM 587 CA THR A 42 -7.350 -14.822 9.895 1.00 0.00 C ATOM 588 C THR A 42 -7.054 -14.364 8.453 1.00 0.00 C ATOM 589 O THR A 42 -6.793 -15.171 7.555 1.00 0.00 O ATOM 590 CB THR A 42 -6.612 -14.020 10.986 1.00 0.00 C ATOM 591 OG1 THR A 42 -7.105 -12.695 11.054 1.00 0.00 O ATOM 592 CG2 THR A 42 -5.097 -13.953 10.782 1.00 0.00 C ATOM 0 H THR A 42 -6.242 -16.441 10.628 1.00 0.00 H new ATOM 0 HA THR A 42 -8.411 -14.635 10.062 1.00 0.00 H new ATOM 0 HB THR A 42 -6.803 -14.558 11.914 1.00 0.00 H new ATOM 0 HG1 THR A 42 -6.626 -12.203 11.753 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.647 -13.373 11.588 1.00 0.00 H new ATOM 0 HG22 THR A 42 -4.684 -14.962 10.786 1.00 0.00 H new ATOM 0 HG23 THR A 42 -4.879 -13.476 9.826 1.00 0.00 H new ATOM 600 N VAL A 43 -7.103 -13.059 8.200 1.00 0.00 N ATOM 601 CA VAL A 43 -6.731 -12.489 6.915 1.00 0.00 C ATOM 602 C VAL A 43 -5.400 -11.749 7.104 1.00 0.00 C ATOM 603 O VAL A 43 -5.332 -10.843 7.945 1.00 0.00 O ATOM 604 CB VAL A 43 -7.871 -11.609 6.373 1.00 0.00 C ATOM 605 CG1 VAL A 43 -7.461 -10.950 5.058 1.00 0.00 C ATOM 606 CG2 VAL A 43 -9.162 -12.423 6.195 1.00 0.00 C ATOM 0 H VAL A 43 -7.404 -12.367 8.886 1.00 0.00 H new ATOM 0 HA VAL A 43 -6.581 -13.257 6.156 1.00 0.00 H new ATOM 0 HB VAL A 43 -8.069 -10.825 7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.280 -10.332 4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.581 -10.327 5.222 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.229 -11.720 4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -9.950 -11.776 5.811 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.985 -13.236 5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -9.468 -12.835 7.157 1.00 0.00 H new ATOM 616 N PRO A 44 -4.343 -12.081 6.345 1.00 0.00 N ATOM 617 CA PRO A 44 -3.236 -11.162 6.172 1.00 0.00 C ATOM 618 C PRO A 44 -3.777 -9.965 5.386 1.00 0.00 C ATOM 619 O PRO A 44 -4.147 -10.128 4.226 1.00 0.00 O ATOM 620 CB PRO A 44 -2.157 -11.947 5.425 1.00 0.00 C ATOM 621 CG PRO A 44 -2.946 -12.959 4.599 1.00 0.00 C ATOM 622 CD PRO A 44 -4.217 -13.202 5.419 1.00 0.00 C ATOM 0 HA PRO A 44 -2.805 -10.779 7.097 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.556 -11.296 4.791 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.472 -12.441 6.115 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.179 -12.569 3.608 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.383 -13.881 4.454 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.090 -13.266 4.769 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.153 -14.146 5.961 1.00 0.00 H new ATOM 630 N HIS A 45 -3.846 -8.797 6.032 1.00 0.00 N ATOM 631 CA HIS A 45 -4.153 -7.494 5.444 1.00 0.00 C ATOM 632 C HIS A 45 -5.607 -7.371 4.965 1.00 0.00 C ATOM 633 O HIS A 45 -6.003 -7.939 3.948 1.00 0.00 O ATOM 634 CB HIS A 45 -3.133 -7.151 4.340 1.00 0.00 C ATOM 635 CG HIS A 45 -1.720 -7.073 4.860 1.00 0.00 C ATOM 636 ND1 HIS A 45 -0.993 -8.082 5.461 1.00 0.00 N ATOM 637 CD2 HIS A 45 -0.947 -5.946 4.879 1.00 0.00 C ATOM 638 CE1 HIS A 45 0.157 -7.552 5.888 1.00 0.00 C ATOM 639 NE2 HIS A 45 0.208 -6.245 5.599 1.00 0.00 N ATOM 0 H HIS A 45 -3.679 -8.734 7.036 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.058 -6.750 6.235 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.186 -7.905 3.555 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.402 -6.198 3.885 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -1.282 -9.055 5.561 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -1.187 -4.998 4.420 1.00 0.00 H new ATOM 0 HE1 HIS A 45 0.937 -8.101 6.395 1.00 0.00 H new ATOM 647 N LYS A 46 -6.428 -6.589 5.673 1.00 0.00 N ATOM 648 CA LYS A 46 -7.747 -6.169 5.186 1.00 0.00 C ATOM 649 C LYS A 46 -8.021 -4.747 5.647 1.00 0.00 C ATOM 650 O LYS A 46 -7.458 -4.314 6.656 1.00 0.00 O ATOM 651 CB LYS A 46 -8.855 -7.135 5.657 1.00 0.00 C ATOM 652 CG LYS A 46 -9.212 -6.962 7.140 1.00 0.00 C ATOM 653 CD LYS A 46 -10.088 -8.093 7.692 1.00 0.00 C ATOM 654 CE LYS A 46 -10.266 -7.817 9.187 1.00 0.00 C ATOM 655 NZ LYS A 46 -10.954 -8.887 9.927 1.00 0.00 N ATOM 0 H LYS A 46 -6.198 -6.229 6.599 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.748 -6.196 4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.748 -6.976 5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.532 -8.162 5.484 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.293 -6.907 7.723 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.731 -6.013 7.273 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -11.053 -8.119 7.185 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.617 -9.062 7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.285 -7.657 9.633 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.827 -6.890 9.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.033 -8.621 10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.905 -9.027 9.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.411 -9.770 9.845 1.00 0.00 H new ATOM 669 N ILE A 47 -8.914 -4.054 4.948 1.00 0.00 N ATOM 670 CA ILE A 47 -9.416 -2.746 5.348 1.00 0.00 C ATOM 671 C ILE A 47 -10.202 -2.910 6.650 1.00 0.00 C ATOM 672 O ILE A 47 -11.164 -3.679 6.653 1.00 0.00 O ATOM 673 CB ILE A 47 -10.319 -2.175 4.236 1.00 0.00 C ATOM 674 CG1 ILE A 47 -9.665 -2.143 2.847 1.00 0.00 C ATOM 675 CG2 ILE A 47 -10.882 -0.786 4.594 1.00 0.00 C ATOM 676 CD1 ILE A 47 -8.399 -1.300 2.745 1.00 0.00 C ATOM 0 H ILE A 47 -9.315 -4.392 4.073 1.00 0.00 H new ATOM 0 HA ILE A 47 -8.591 -2.052 5.506 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.146 -2.882 4.173 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -9.427 -3.165 2.552 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -10.393 -1.765 2.129 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.511 -0.427 3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.475 -0.858 5.506 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -10.059 -0.089 4.750 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -8.015 -1.343 1.726 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.628 -0.266 3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.647 -1.688 3.433 1.00 0.00 H new ATOM 688 N GLY A 48 -9.841 -2.178 7.715 1.00 0.00 N ATOM 689 CA GLY A 48 -10.572 -2.206 8.990 1.00 0.00 C ATOM 690 C GLY A 48 -11.339 -0.919 9.322 1.00 0.00 C ATOM 691 O GLY A 48 -12.328 -0.946 10.054 1.00 0.00 O ATOM 0 H GLY A 48 -9.036 -1.552 7.716 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.277 -3.037 8.970 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.864 -2.408 9.794 1.00 0.00 H new ATOM 695 N ARG A 49 -10.905 0.232 8.809 1.00 0.00 N ATOM 696 CA ARG A 49 -11.533 1.539 8.972 1.00 0.00 C ATOM 697 C ARG A 49 -11.198 2.304 7.706 1.00 0.00 C ATOM 698 O ARG A 49 -10.102 2.127 7.165 1.00 0.00 O ATOM 699 CB ARG A 49 -10.953 2.251 10.219 1.00 0.00 C ATOM 700 CG ARG A 49 -11.530 3.655 10.473 1.00 0.00 C ATOM 701 CD ARG A 49 -10.924 4.327 11.716 1.00 0.00 C ATOM 702 NE ARG A 49 -11.427 5.702 11.831 1.00 0.00 N ATOM 703 CZ ARG A 49 -11.419 6.524 12.885 1.00 0.00 C ATOM 704 NH1 ARG A 49 -10.814 6.209 14.023 1.00 0.00 N ATOM 705 NH2 ARG A 49 -12.049 7.681 12.813 1.00 0.00 N ATOM 0 H ARG A 49 -10.061 0.278 8.238 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.610 1.467 9.120 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -11.138 1.631 11.096 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -9.872 2.330 10.107 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -11.348 4.282 9.600 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -12.611 3.583 10.594 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -11.182 3.759 12.610 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.836 4.332 11.644 1.00 0.00 H new ATOM 0 HE ARG A 49 -11.843 6.086 10.983 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.334 5.314 14.115 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.829 6.862 14.806 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.538 7.943 11.957 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.047 8.313 13.613 1.00 0.00 H new ATOM 719 N ILE A 50 -12.106 3.170 7.281 1.00 0.00 N ATOM 720 CA ILE A 50 -11.868 4.184 6.280 1.00 0.00 C ATOM 721 C ILE A 50 -12.190 5.507 6.963 1.00 0.00 C ATOM 722 O ILE A 50 -13.197 5.625 7.672 1.00 0.00 O ATOM 723 CB ILE A 50 -12.684 3.830 5.023 1.00 0.00 C ATOM 724 CG1 ILE A 50 -11.794 2.926 4.142 1.00 0.00 C ATOM 725 CG2 ILE A 50 -13.203 5.059 4.264 1.00 0.00 C ATOM 726 CD1 ILE A 50 -12.538 2.266 2.980 1.00 0.00 C ATOM 0 H ILE A 50 -13.061 3.181 7.640 1.00 0.00 H new ATOM 0 HA ILE A 50 -10.844 4.256 5.913 1.00 0.00 H new ATOM 0 HB ILE A 50 -13.592 3.304 5.317 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -10.972 3.520 3.743 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -11.352 2.149 4.766 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.769 4.735 3.390 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -13.849 5.644 4.918 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -12.360 5.672 3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -11.845 1.648 2.409 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.343 1.643 3.370 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -12.956 3.036 2.332 1.00 0.00 H new ATOM 738 N ILE A 51 -11.278 6.468 6.820 1.00 0.00 N ATOM 739 CA ILE A 51 -11.389 7.781 7.437 1.00 0.00 C ATOM 740 C ILE A 51 -12.604 8.484 6.806 1.00 0.00 C ATOM 741 O ILE A 51 -13.031 8.143 5.697 1.00 0.00 O ATOM 742 CB ILE A 51 -10.040 8.539 7.365 1.00 0.00 C ATOM 743 CG1 ILE A 51 -8.840 7.671 7.796 1.00 0.00 C ATOM 744 CG2 ILE A 51 -10.065 9.848 8.172 1.00 0.00 C ATOM 745 CD1 ILE A 51 -8.902 7.057 9.190 1.00 0.00 C ATOM 0 H ILE A 51 -10.431 6.351 6.264 1.00 0.00 H new ATOM 0 HA ILE A 51 -11.581 7.728 8.509 1.00 0.00 H new ATOM 0 HB ILE A 51 -9.905 8.788 6.312 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -8.728 6.863 7.073 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -7.939 8.281 7.733 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -9.098 10.344 8.091 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -10.842 10.503 7.779 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -10.273 9.626 9.219 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -8.000 6.472 9.370 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -8.974 7.850 9.934 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -9.776 6.409 9.264 1.00 0.00 H new ATOM 757 N ASP A 52 -13.217 9.414 7.529 1.00 0.00 N ATOM 758 CA ASP A 52 -14.501 9.975 7.133 1.00 0.00 C ATOM 759 C ASP A 52 -14.351 10.827 5.870 1.00 0.00 C ATOM 760 O ASP A 52 -13.599 11.800 5.866 1.00 0.00 O ATOM 761 CB ASP A 52 -15.087 10.797 8.284 1.00 0.00 C ATOM 762 CG ASP A 52 -16.538 11.157 7.988 1.00 0.00 C ATOM 763 OD1 ASP A 52 -16.805 12.017 7.120 1.00 0.00 O ATOM 764 OD2 ASP A 52 -17.436 10.514 8.572 1.00 0.00 O ATOM 0 H ASP A 52 -12.842 9.796 8.397 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.188 9.160 6.904 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.028 10.230 9.213 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.501 11.705 8.427 1.00 0.00 H new ATOM 769 N GLY A 53 -15.025 10.447 4.782 1.00 0.00 N ATOM 770 CA GLY A 53 -15.168 11.251 3.568 1.00 0.00 C ATOM 771 C GLY A 53 -13.892 11.459 2.748 1.00 0.00 C ATOM 772 O GLY A 53 -13.913 12.167 1.740 1.00 0.00 O ATOM 0 H GLY A 53 -15.499 9.546 4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.914 10.779 2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.560 12.229 3.847 1.00 0.00 H new ATOM 776 N SER A 54 -12.783 10.868 3.180 1.00 0.00 N ATOM 777 CA SER A 54 -11.466 10.903 2.549 1.00 0.00 C ATOM 778 C SER A 54 -11.414 10.125 1.205 1.00 0.00 C ATOM 779 O SER A 54 -12.397 9.488 0.826 1.00 0.00 O ATOM 780 CB SER A 54 -10.483 10.398 3.614 1.00 0.00 C ATOM 781 OG SER A 54 -10.983 9.309 4.357 1.00 0.00 O ATOM 0 H SER A 54 -12.779 10.315 4.037 1.00 0.00 H new ATOM 0 HA SER A 54 -11.197 11.913 2.240 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.552 10.103 3.130 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.243 11.215 4.295 1.00 0.00 H new ATOM 0 HG SER A 54 -10.878 8.484 3.839 1.00 0.00 H new ATOM 787 N PRO A 55 -10.298 10.136 0.443 1.00 0.00 N ATOM 788 CA PRO A 55 -10.303 9.634 -0.931 1.00 0.00 C ATOM 789 C PRO A 55 -10.591 8.137 -1.076 1.00 0.00 C ATOM 790 O PRO A 55 -11.019 7.708 -2.151 1.00 0.00 O ATOM 791 CB PRO A 55 -8.935 9.967 -1.532 1.00 0.00 C ATOM 792 CG PRO A 55 -8.136 10.693 -0.450 1.00 0.00 C ATOM 793 CD PRO A 55 -9.122 10.951 0.682 1.00 0.00 C ATOM 0 HA PRO A 55 -11.126 10.118 -1.456 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.421 9.059 -1.847 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -9.045 10.594 -2.417 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.297 10.087 -0.109 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -7.721 11.627 -0.829 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -8.673 10.701 1.643 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.391 12.007 0.721 1.00 0.00 H new ATOM 801 N ALA A 56 -10.328 7.327 -0.044 1.00 0.00 N ATOM 802 CA ALA A 56 -10.733 5.910 -0.065 1.00 0.00 C ATOM 803 C ALA A 56 -12.258 5.810 0.026 1.00 0.00 C ATOM 804 O ALA A 56 -12.877 5.135 -0.794 1.00 0.00 O ATOM 805 CB ALA A 56 -10.087 5.076 1.055 1.00 0.00 C ATOM 0 H ALA A 56 -9.844 7.619 0.805 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.378 5.494 -1.008 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -10.427 4.043 0.982 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.002 5.109 0.953 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -10.373 5.485 2.024 1.00 0.00 H new ATOM 811 N ASP A 57 -12.857 6.532 0.975 1.00 0.00 N ATOM 812 CA ASP A 57 -14.303 6.612 1.191 1.00 0.00 C ATOM 813 C ASP A 57 -15.007 7.022 -0.102 1.00 0.00 C ATOM 814 O ASP A 57 -15.942 6.360 -0.559 1.00 0.00 O ATOM 815 CB ASP A 57 -14.608 7.614 2.313 1.00 0.00 C ATOM 816 CG ASP A 57 -16.095 7.702 2.625 1.00 0.00 C ATOM 817 OD1 ASP A 57 -16.801 8.492 1.954 1.00 0.00 O ATOM 818 OD2 ASP A 57 -16.527 7.051 3.600 1.00 0.00 O ATOM 0 H ASP A 57 -12.329 7.098 1.639 1.00 0.00 H new ATOM 0 HA ASP A 57 -14.674 5.631 1.488 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.067 7.322 3.213 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.241 8.599 2.026 1.00 0.00 H new ATOM 823 N ARG A 58 -14.518 8.090 -0.740 1.00 0.00 N ATOM 824 CA ARG A 58 -15.045 8.588 -2.008 1.00 0.00 C ATOM 825 C ARG A 58 -14.769 7.652 -3.173 1.00 0.00 C ATOM 826 O ARG A 58 -15.364 7.829 -4.240 1.00 0.00 O ATOM 827 CB ARG A 58 -14.428 9.962 -2.300 1.00 0.00 C ATOM 828 CG ARG A 58 -14.780 11.010 -1.238 1.00 0.00 C ATOM 829 CD ARG A 58 -16.284 11.283 -1.214 1.00 0.00 C ATOM 830 NE ARG A 58 -16.605 12.532 -0.512 1.00 0.00 N ATOM 831 CZ ARG A 58 -17.217 12.671 0.667 1.00 0.00 C ATOM 832 NH1 ARG A 58 -17.617 11.618 1.373 1.00 0.00 N ATOM 833 NH2 ARG A 58 -17.448 13.886 1.148 1.00 0.00 N ATOM 0 H ARG A 58 -13.735 8.638 -0.383 1.00 0.00 H new ATOM 0 HA ARG A 58 -16.128 8.658 -1.906 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.344 9.863 -2.361 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -14.771 10.310 -3.274 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.454 10.663 -0.257 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.242 11.936 -1.443 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -16.659 11.335 -2.236 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.796 10.452 -0.728 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.328 13.395 -0.980 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -17.459 10.675 1.017 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.082 11.753 2.271 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.159 14.708 0.618 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.915 13.998 2.048 1.00 0.00 H new ATOM 847 N CYS A 59 -13.855 6.689 -3.039 1.00 0.00 N ATOM 848 CA CYS A 59 -13.589 5.743 -4.110 1.00 0.00 C ATOM 849 C CYS A 59 -14.782 4.810 -4.303 1.00 0.00 C ATOM 850 O CYS A 59 -14.951 4.321 -5.418 1.00 0.00 O ATOM 851 CB CYS A 59 -12.309 4.945 -3.823 1.00 0.00 C ATOM 852 SG CYS A 59 -11.800 4.047 -5.316 1.00 0.00 S ATOM 0 H CYS A 59 -13.291 6.549 -2.200 1.00 0.00 H new ATOM 0 HA CYS A 59 -13.437 6.300 -5.035 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.514 5.618 -3.503 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.481 4.244 -3.006 1.00 0.00 H new ATOM 0 HG CYS A 59 -12.849 3.754 -6.025 1.00 0.00 H new ATOM 858 N ALA A 60 -15.570 4.546 -3.250 1.00 0.00 N ATOM 859 CA ALA A 60 -16.697 3.611 -3.162 1.00 0.00 C ATOM 860 C ALA A 60 -16.361 2.142 -3.457 1.00 0.00 C ATOM 861 O ALA A 60 -17.007 1.252 -2.913 1.00 0.00 O ATOM 862 CB ALA A 60 -17.859 4.092 -4.035 1.00 0.00 C ATOM 0 H ALA A 60 -15.420 5.024 -2.362 1.00 0.00 H new ATOM 0 HA ALA A 60 -16.988 3.618 -2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -18.687 3.388 -3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -18.186 5.075 -3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -17.532 4.157 -5.073 1.00 0.00 H new ATOM 868 N LYS A 61 -15.358 1.856 -4.288 1.00 0.00 N ATOM 869 CA LYS A 61 -14.897 0.514 -4.632 1.00 0.00 C ATOM 870 C LYS A 61 -14.362 -0.242 -3.425 1.00 0.00 C ATOM 871 O LYS A 61 -14.439 -1.469 -3.386 1.00 0.00 O ATOM 872 CB LYS A 61 -13.783 0.614 -5.683 1.00 0.00 C ATOM 873 CG LYS A 61 -14.324 1.121 -7.018 1.00 0.00 C ATOM 874 CD LYS A 61 -13.392 0.902 -8.208 1.00 0.00 C ATOM 875 CE LYS A 61 -12.300 1.965 -8.366 1.00 0.00 C ATOM 876 NZ LYS A 61 -11.560 1.795 -9.637 1.00 0.00 N ATOM 0 H LYS A 61 -14.823 2.586 -4.759 1.00 0.00 H new ATOM 0 HA LYS A 61 -15.755 -0.035 -5.020 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -13.002 1.286 -5.326 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -13.323 -0.364 -5.822 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -15.274 0.626 -7.221 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -14.533 2.187 -6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -12.918 -0.075 -8.107 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -13.989 0.874 -9.120 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.749 2.958 -8.335 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -11.606 1.903 -7.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.828 2.530 -9.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -11.112 0.857 -9.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.220 1.879 -10.437 1.00 0.00 H new ATOM 890 N LEU A 62 -13.754 0.486 -2.494 1.00 0.00 N ATOM 891 CA LEU A 62 -12.917 -0.046 -1.438 1.00 0.00 C ATOM 892 C LEU A 62 -13.731 0.043 -0.157 1.00 0.00 C ATOM 893 O LEU A 62 -14.125 1.156 0.201 1.00 0.00 O ATOM 894 CB LEU A 62 -11.644 0.832 -1.364 1.00 0.00 C ATOM 895 CG LEU A 62 -10.310 0.134 -1.028 1.00 0.00 C ATOM 896 CD1 LEU A 62 -9.629 0.850 0.138 1.00 0.00 C ATOM 897 CD2 LEU A 62 -10.360 -1.356 -0.697 1.00 0.00 C ATOM 0 H LEU A 62 -13.838 1.502 -2.458 1.00 0.00 H new ATOM 0 HA LEU A 62 -12.614 -1.080 -1.606 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -11.527 1.335 -2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -11.814 1.607 -0.617 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.755 0.201 -1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.688 0.352 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.434 1.887 -0.136 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.280 0.822 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -9.354 -1.715 -0.482 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -10.996 -1.514 0.174 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.766 -1.904 -1.547 1.00 0.00 H new ATOM 909 N LYS A 63 -14.021 -1.070 0.520 1.00 0.00 N ATOM 910 CA LYS A 63 -14.832 -1.055 1.732 1.00 0.00 C ATOM 911 C LYS A 63 -14.164 -1.869 2.831 1.00 0.00 C ATOM 912 O LYS A 63 -13.195 -2.595 2.597 1.00 0.00 O ATOM 913 CB LYS A 63 -16.241 -1.541 1.374 1.00 0.00 C ATOM 914 CG LYS A 63 -16.271 -3.041 1.053 1.00 0.00 C ATOM 915 CD LYS A 63 -17.370 -3.432 0.059 1.00 0.00 C ATOM 916 CE LYS A 63 -16.886 -3.374 -1.399 1.00 0.00 C ATOM 917 NZ LYS A 63 -15.947 -4.469 -1.739 1.00 0.00 N ATOM 0 H LYS A 63 -13.702 -1.999 0.244 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.921 -0.045 2.133 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -16.917 -1.335 2.204 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -16.610 -0.980 0.516 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.303 -3.337 0.648 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.413 -3.600 1.978 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.718 -4.440 0.284 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -18.223 -2.765 0.183 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.748 -3.421 -2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -16.398 -2.416 -1.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -16.199 -4.867 -2.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.977 -4.096 -1.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.005 -5.213 -1.015 1.00 0.00 H new ATOM 931 N VAL A 64 -14.668 -1.733 4.049 1.00 0.00 N ATOM 932 CA VAL A 64 -14.157 -2.477 5.193 1.00 0.00 C ATOM 933 C VAL A 64 -14.426 -3.962 4.937 1.00 0.00 C ATOM 934 O VAL A 64 -15.490 -4.330 4.432 1.00 0.00 O ATOM 935 CB VAL A 64 -14.791 -1.921 6.486 1.00 0.00 C ATOM 936 CG1 VAL A 64 -14.423 -2.742 7.728 1.00 0.00 C ATOM 937 CG2 VAL A 64 -14.355 -0.462 6.729 1.00 0.00 C ATOM 0 H VAL A 64 -15.441 -1.106 4.273 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.081 -2.363 5.325 1.00 0.00 H new ATOM 0 HB VAL A 64 -15.869 -1.980 6.336 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -14.897 -2.305 8.607 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -14.769 -3.768 7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -13.341 -2.738 7.859 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -14.815 -0.093 7.646 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -13.270 -0.417 6.824 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -14.672 0.157 5.890 1.00 0.00 H new ATOM 947 N GLY A 65 -13.457 -4.827 5.243 1.00 0.00 N ATOM 948 CA GLY A 65 -13.558 -6.259 5.063 1.00 0.00 C ATOM 949 C GLY A 65 -12.826 -6.696 3.804 1.00 0.00 C ATOM 950 O GLY A 65 -12.511 -7.883 3.713 1.00 0.00 O ATOM 0 H GLY A 65 -12.561 -4.534 5.632 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.138 -6.770 5.929 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.607 -6.549 4.999 1.00 0.00 H new ATOM 954 N ASP A 66 -12.507 -5.769 2.882 1.00 0.00 N ATOM 955 CA ASP A 66 -11.825 -6.081 1.630 1.00 0.00 C ATOM 956 C ASP A 66 -10.407 -6.533 1.953 1.00 0.00 C ATOM 957 O ASP A 66 -9.484 -5.732 2.126 1.00 0.00 O ATOM 958 CB ASP A 66 -11.814 -4.917 0.616 1.00 0.00 C ATOM 959 CG ASP A 66 -13.082 -4.786 -0.231 1.00 0.00 C ATOM 960 OD1 ASP A 66 -13.785 -5.792 -0.474 1.00 0.00 O ATOM 961 OD2 ASP A 66 -13.357 -3.671 -0.729 1.00 0.00 O ATOM 0 H ASP A 66 -12.720 -4.778 2.994 1.00 0.00 H new ATOM 0 HA ASP A 66 -12.384 -6.878 1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.659 -3.984 1.158 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.961 -5.044 -0.051 1.00 0.00 H new ATOM 966 N ARG A 67 -10.256 -7.844 2.089 1.00 0.00 N ATOM 967 CA ARG A 67 -8.993 -8.578 2.096 1.00 0.00 C ATOM 968 C ARG A 67 -8.092 -8.127 0.940 1.00 0.00 C ATOM 969 O ARG A 67 -8.529 -8.109 -0.213 1.00 0.00 O ATOM 970 CB ARG A 67 -9.257 -10.084 1.973 1.00 0.00 C ATOM 971 CG ARG A 67 -10.313 -10.679 2.924 1.00 0.00 C ATOM 972 CD ARG A 67 -10.095 -12.195 2.928 1.00 0.00 C ATOM 973 NE ARG A 67 -11.274 -12.993 3.315 1.00 0.00 N ATOM 974 CZ ARG A 67 -12.143 -13.474 2.420 1.00 0.00 C ATOM 975 NH1 ARG A 67 -12.390 -12.807 1.297 1.00 0.00 N ATOM 976 NH2 ARG A 67 -12.741 -14.635 2.656 1.00 0.00 N ATOM 0 H ARG A 67 -11.059 -8.462 2.204 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.488 -8.370 3.039 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.565 -10.293 0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -8.316 -10.609 2.137 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.204 -10.269 3.928 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -11.320 -10.433 2.587 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -9.777 -12.504 1.932 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -9.277 -12.428 3.610 1.00 0.00 H new ATOM 0 HE ARG A 67 -11.432 -13.185 4.304 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.915 -11.923 1.114 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.054 -13.179 0.618 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -12.536 -15.150 3.512 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.406 -15.013 1.981 1.00 0.00 H new ATOM 990 N ILE A 68 -6.843 -7.787 1.243 1.00 0.00 N ATOM 991 CA ILE A 68 -5.824 -7.303 0.311 1.00 0.00 C ATOM 992 C ILE A 68 -4.963 -8.512 -0.084 1.00 0.00 C ATOM 993 O ILE A 68 -4.886 -9.489 0.661 1.00 0.00 O ATOM 994 CB ILE A 68 -5.021 -6.171 1.011 1.00 0.00 C ATOM 995 CG1 ILE A 68 -5.951 -4.977 1.342 1.00 0.00 C ATOM 996 CG2 ILE A 68 -3.831 -5.658 0.176 1.00 0.00 C ATOM 997 CD1 ILE A 68 -5.474 -4.039 2.453 1.00 0.00 C ATOM 0 H ILE A 68 -6.493 -7.844 2.199 1.00 0.00 H new ATOM 0 HA ILE A 68 -6.242 -6.875 -0.600 1.00 0.00 H new ATOM 0 HB ILE A 68 -4.617 -6.611 1.923 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.092 -4.390 0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.928 -5.371 1.622 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -3.315 -4.870 0.724 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -3.140 -6.479 -0.015 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -4.195 -5.262 -0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.205 -3.243 2.596 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -5.363 -4.600 3.381 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -4.514 -3.605 2.175 1.00 0.00 H new ATOM 1009 N LEU A 69 -4.312 -8.464 -1.245 1.00 0.00 N ATOM 1010 CA LEU A 69 -3.462 -9.513 -1.794 1.00 0.00 C ATOM 1011 C LEU A 69 -2.090 -8.909 -2.072 1.00 0.00 C ATOM 1012 O LEU A 69 -1.074 -9.403 -1.584 1.00 0.00 O ATOM 1013 CB LEU A 69 -4.173 -10.094 -3.034 1.00 0.00 C ATOM 1014 CG LEU A 69 -3.333 -10.437 -4.270 1.00 0.00 C ATOM 1015 CD1 LEU A 69 -2.278 -11.516 -4.009 1.00 0.00 C ATOM 1016 CD2 LEU A 69 -4.276 -10.960 -5.356 1.00 0.00 C ATOM 0 H LEU A 69 -4.368 -7.650 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.300 -10.345 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.690 -11.002 -2.723 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.938 -9.381 -3.341 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.808 -9.528 -4.565 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.721 -11.709 -4.926 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.593 -11.175 -3.233 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.768 -12.433 -3.683 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.701 -11.211 -6.247 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.791 -11.850 -4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -5.009 -10.192 -5.602 1.00 0.00 H new ATOM 1028 N ALA A 70 -2.076 -7.827 -2.843 1.00 0.00 N ATOM 1029 CA ALA A 70 -0.887 -7.129 -3.300 1.00 0.00 C ATOM 1030 C ALA A 70 -1.155 -5.624 -3.262 1.00 0.00 C ATOM 1031 O ALA A 70 -2.310 -5.200 -3.298 1.00 0.00 O ATOM 1032 CB ALA A 70 -0.543 -7.631 -4.711 1.00 0.00 C ATOM 0 H ALA A 70 -2.936 -7.395 -3.180 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.030 -7.326 -2.656 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.348 -7.118 -5.072 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.356 -8.704 -4.680 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.377 -7.427 -5.383 1.00 0.00 H new ATOM 1038 N VAL A 71 -0.104 -4.809 -3.222 1.00 0.00 N ATOM 1039 CA VAL A 71 -0.188 -3.351 -3.244 1.00 0.00 C ATOM 1040 C VAL A 71 0.881 -2.858 -4.207 1.00 0.00 C ATOM 1041 O VAL A 71 1.997 -3.368 -4.177 1.00 0.00 O ATOM 1042 CB VAL A 71 -0.059 -2.747 -1.833 1.00 0.00 C ATOM 1043 CG1 VAL A 71 -0.279 -1.224 -1.864 1.00 0.00 C ATOM 1044 CG2 VAL A 71 -1.100 -3.373 -0.896 1.00 0.00 C ATOM 0 H VAL A 71 0.855 -5.153 -3.172 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.168 -3.024 -3.590 1.00 0.00 H new ATOM 0 HB VAL A 71 0.947 -2.957 -1.471 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.183 -0.822 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 71 0.466 -0.762 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.276 -1.008 -2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.001 -2.940 0.099 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.101 -3.175 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.939 -4.450 -0.841 1.00 0.00 H new ATOM 1054 N ASN A 72 0.532 -1.937 -5.111 1.00 0.00 N ATOM 1055 CA ASN A 72 1.322 -1.620 -6.312 1.00 0.00 C ATOM 1056 C ASN A 72 1.547 -2.849 -7.208 1.00 0.00 C ATOM 1057 O ASN A 72 2.357 -2.804 -8.130 1.00 0.00 O ATOM 1058 CB ASN A 72 2.656 -0.923 -5.953 1.00 0.00 C ATOM 1059 CG ASN A 72 2.696 0.494 -6.486 1.00 0.00 C ATOM 1060 OD1 ASN A 72 3.346 0.784 -7.486 1.00 0.00 O ATOM 1061 ND2 ASN A 72 2.045 1.412 -5.803 1.00 0.00 N ATOM 0 H ASN A 72 -0.319 -1.381 -5.031 1.00 0.00 H new ATOM 0 HA ASN A 72 0.731 -0.913 -6.895 1.00 0.00 H new ATOM 0 HB2 ASN A 72 2.783 -0.911 -4.870 1.00 0.00 H new ATOM 0 HB3 ASN A 72 3.489 -1.493 -6.365 1.00 0.00 H new ATOM 0 HD21 ASN A 72 2.075 2.387 -6.102 1.00 0.00 H new ATOM 0 HD22 ASN A 72 1.511 1.149 -4.975 1.00 0.00 H new ATOM 1068 N GLY A 73 0.860 -3.962 -6.935 1.00 0.00 N ATOM 1069 CA GLY A 73 1.095 -5.256 -7.547 1.00 0.00 C ATOM 1070 C GLY A 73 2.247 -6.032 -6.897 1.00 0.00 C ATOM 1071 O GLY A 73 2.471 -7.181 -7.280 1.00 0.00 O ATOM 0 H GLY A 73 0.099 -3.978 -6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.184 -5.851 -7.484 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.312 -5.116 -8.606 1.00 0.00 H new ATOM 1075 N GLN A 74 2.954 -5.490 -5.902 1.00 0.00 N ATOM 1076 CA GLN A 74 3.907 -6.222 -5.095 1.00 0.00 C ATOM 1077 C GLN A 74 3.105 -7.086 -4.118 1.00 0.00 C ATOM 1078 O GLN A 74 2.107 -6.611 -3.571 1.00 0.00 O ATOM 1079 CB GLN A 74 4.732 -5.190 -4.314 1.00 0.00 C ATOM 1080 CG GLN A 74 5.941 -5.820 -3.622 1.00 0.00 C ATOM 1081 CD GLN A 74 7.234 -5.730 -4.428 1.00 0.00 C ATOM 1082 OE1 GLN A 74 7.255 -5.503 -5.637 1.00 0.00 O ATOM 1083 NE2 GLN A 74 8.366 -5.874 -3.773 1.00 0.00 N ATOM 0 H GLN A 74 2.871 -4.508 -5.637 1.00 0.00 H new ATOM 0 HA GLN A 74 4.565 -6.849 -5.697 1.00 0.00 H new ATOM 0 HB2 GLN A 74 5.071 -4.409 -4.994 1.00 0.00 H new ATOM 0 HB3 GLN A 74 4.098 -4.710 -3.568 1.00 0.00 H new ATOM 0 HG2 GLN A 74 6.091 -5.332 -2.659 1.00 0.00 H new ATOM 0 HG3 GLN A 74 5.724 -6.869 -3.418 1.00 0.00 H new ATOM 0 HE21 GLN A 74 8.355 -6.062 -2.771 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.255 -5.797 -4.268 1.00 0.00 H new ATOM 1092 N SER A 75 3.541 -8.316 -3.844 1.00 0.00 N ATOM 1093 CA SER A 75 3.031 -9.063 -2.701 1.00 0.00 C ATOM 1094 C SER A 75 3.250 -8.251 -1.417 1.00 0.00 C ATOM 1095 O SER A 75 4.252 -7.552 -1.297 1.00 0.00 O ATOM 1096 CB SER A 75 3.772 -10.398 -2.606 1.00 0.00 C ATOM 1097 OG SER A 75 3.669 -11.151 -3.805 1.00 0.00 O ATOM 0 H SER A 75 4.242 -8.811 -4.396 1.00 0.00 H new ATOM 0 HA SER A 75 1.964 -9.247 -2.826 1.00 0.00 H new ATOM 0 HB2 SER A 75 4.823 -10.214 -2.383 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.367 -10.979 -1.777 1.00 0.00 H new ATOM 0 HG SER A 75 4.157 -11.995 -3.704 1.00 0.00 H new ATOM 1103 N ILE A 76 2.337 -8.384 -0.451 1.00 0.00 N ATOM 1104 CA ILE A 76 2.465 -7.811 0.895 1.00 0.00 C ATOM 1105 C ILE A 76 2.526 -8.904 1.980 1.00 0.00 C ATOM 1106 O ILE A 76 2.500 -8.611 3.173 1.00 0.00 O ATOM 1107 CB ILE A 76 1.354 -6.762 1.158 1.00 0.00 C ATOM 1108 CG1 ILE A 76 -0.076 -7.107 0.705 1.00 0.00 C ATOM 1109 CG2 ILE A 76 1.622 -5.439 0.468 1.00 0.00 C ATOM 1110 CD1 ILE A 76 -0.646 -8.176 1.593 1.00 0.00 C ATOM 0 H ILE A 76 1.469 -8.904 -0.584 1.00 0.00 H new ATOM 0 HA ILE A 76 3.418 -7.284 0.949 1.00 0.00 H new ATOM 0 HB ILE A 76 1.396 -6.729 2.247 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.704 -6.217 0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.067 -7.448 -0.330 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.812 -4.744 0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.564 -5.025 0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.684 -5.596 -0.609 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.658 -8.417 1.269 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.024 -9.069 1.533 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.670 -7.819 2.623 1.00 0.00 H new ATOM 1122 N ILE A 77 2.575 -10.176 1.581 1.00 0.00 N ATOM 1123 CA ILE A 77 2.632 -11.321 2.487 1.00 0.00 C ATOM 1124 C ILE A 77 3.940 -11.241 3.281 1.00 0.00 C ATOM 1125 O ILE A 77 4.975 -10.900 2.710 1.00 0.00 O ATOM 1126 CB ILE A 77 2.511 -12.621 1.665 1.00 0.00 C ATOM 1127 CG1 ILE A 77 1.117 -12.638 0.997 1.00 0.00 C ATOM 1128 CG2 ILE A 77 2.710 -13.894 2.514 1.00 0.00 C ATOM 1129 CD1 ILE A 77 0.961 -13.776 0.001 1.00 0.00 C ATOM 0 H ILE A 77 2.576 -10.443 0.597 1.00 0.00 H new ATOM 0 HA ILE A 77 1.806 -11.313 3.199 1.00 0.00 H new ATOM 0 HB ILE A 77 3.306 -12.629 0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.350 -12.726 1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.950 -11.689 0.488 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.613 -14.774 1.878 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.702 -13.879 2.964 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.955 -13.929 3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -0.036 -13.741 -0.438 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.708 -13.676 -0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 77 1.099 -14.729 0.512 1.00 0.00 H new ATOM 1141 N ASN A 78 3.902 -11.634 4.556 1.00 0.00 N ATOM 1142 CA ASN A 78 5.015 -11.801 5.503 1.00 0.00 C ATOM 1143 C ASN A 78 5.838 -10.558 5.844 1.00 0.00 C ATOM 1144 O ASN A 78 6.493 -10.562 6.886 1.00 0.00 O ATOM 1145 CB ASN A 78 5.949 -12.960 5.102 1.00 0.00 C ATOM 1146 CG ASN A 78 5.832 -14.094 6.099 1.00 0.00 C ATOM 1147 OD1 ASN A 78 6.265 -14.000 7.245 1.00 0.00 O ATOM 1148 ND2 ASN A 78 5.213 -15.193 5.719 1.00 0.00 N ATOM 0 H ASN A 78 3.011 -11.866 4.995 1.00 0.00 H new ATOM 0 HA ASN A 78 4.489 -12.038 6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 78 5.692 -13.315 4.104 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.980 -12.608 5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.094 -15.964 6.376 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.853 -15.273 4.768 1.00 0.00 H new ATOM 1155 N MET A 79 5.788 -9.501 5.034 1.00 0.00 N ATOM 1156 CA MET A 79 6.495 -8.254 5.295 1.00 0.00 C ATOM 1157 C MET A 79 6.097 -7.701 6.676 1.00 0.00 C ATOM 1158 O MET A 79 4.930 -7.826 7.078 1.00 0.00 O ATOM 1159 CB MET A 79 6.183 -7.249 4.172 1.00 0.00 C ATOM 1160 CG MET A 79 7.153 -7.356 2.992 1.00 0.00 C ATOM 1161 SD MET A 79 6.443 -7.014 1.356 1.00 0.00 S ATOM 1162 CE MET A 79 6.607 -5.210 1.208 1.00 0.00 C ATOM 0 H MET A 79 5.248 -9.490 4.169 1.00 0.00 H new ATOM 0 HA MET A 79 7.570 -8.432 5.309 1.00 0.00 H new ATOM 0 HB2 MET A 79 5.166 -7.413 3.816 1.00 0.00 H new ATOM 0 HB3 MET A 79 6.220 -6.237 4.576 1.00 0.00 H new ATOM 0 HG2 MET A 79 7.979 -6.665 3.161 1.00 0.00 H new ATOM 0 HG3 MET A 79 7.575 -8.361 2.982 1.00 0.00 H new ATOM 0 HE1 MET A 79 6.239 -4.890 0.233 1.00 0.00 H new ATOM 0 HE2 MET A 79 6.025 -4.726 1.993 1.00 0.00 H new ATOM 0 HE3 MET A 79 7.656 -4.930 1.309 1.00 0.00 H new ATOM 1172 N PRO A 80 7.025 -7.049 7.398 1.00 0.00 N ATOM 1173 CA PRO A 80 6.704 -6.325 8.613 1.00 0.00 C ATOM 1174 C PRO A 80 5.882 -5.100 8.229 1.00 0.00 C ATOM 1175 O PRO A 80 6.011 -4.580 7.115 1.00 0.00 O ATOM 1176 CB PRO A 80 8.051 -5.918 9.211 1.00 0.00 C ATOM 1177 CG PRO A 80 8.935 -5.732 7.978 1.00 0.00 C ATOM 1178 CD PRO A 80 8.398 -6.783 7.007 1.00 0.00 C ATOM 0 HA PRO A 80 6.127 -6.910 9.329 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.973 -5.000 9.793 1.00 0.00 H new ATOM 0 HB3 PRO A 80 8.445 -6.685 9.877 1.00 0.00 H new ATOM 0 HG2 PRO A 80 8.851 -4.725 7.569 1.00 0.00 H new ATOM 0 HG3 PRO A 80 9.988 -5.896 8.208 1.00 0.00 H new ATOM 0 HD2 PRO A 80 8.445 -6.421 5.980 1.00 0.00 H new ATOM 0 HD3 PRO A 80 8.996 -7.693 7.052 1.00 0.00 H new ATOM 1186 N HIS A 81 5.076 -4.596 9.163 1.00 0.00 N ATOM 1187 CA HIS A 81 4.129 -3.547 8.824 1.00 0.00 C ATOM 1188 C HIS A 81 4.835 -2.300 8.282 1.00 0.00 C ATOM 1189 O HIS A 81 4.297 -1.649 7.389 1.00 0.00 O ATOM 1190 CB HIS A 81 3.203 -3.227 10.007 1.00 0.00 C ATOM 1191 CG HIS A 81 1.759 -3.100 9.593 1.00 0.00 C ATOM 1192 ND1 HIS A 81 1.293 -2.714 8.353 1.00 0.00 N ATOM 1193 CD2 HIS A 81 0.674 -3.386 10.375 1.00 0.00 C ATOM 1194 CE1 HIS A 81 -0.047 -2.793 8.375 1.00 0.00 C ATOM 1195 NE2 HIS A 81 -0.471 -3.167 9.599 1.00 0.00 N ATOM 0 H HIS A 81 5.062 -4.892 10.139 1.00 0.00 H new ATOM 0 HA HIS A 81 3.497 -3.920 8.018 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.294 -4.012 10.758 1.00 0.00 H new ATOM 0 HB3 HIS A 81 3.526 -2.298 10.476 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.696 -3.719 11.402 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.692 -2.587 7.534 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -1.440 -3.271 9.902 1.00 0.00 H new ATOM 1203 N ALA A 82 6.052 -2.018 8.757 1.00 0.00 N ATOM 1204 CA ALA A 82 6.916 -0.937 8.316 1.00 0.00 C ATOM 1205 C ALA A 82 7.205 -0.982 6.814 1.00 0.00 C ATOM 1206 O ALA A 82 7.249 0.083 6.196 1.00 0.00 O ATOM 1207 CB ALA A 82 8.226 -1.007 9.117 1.00 0.00 C ATOM 0 H ALA A 82 6.477 -2.573 9.500 1.00 0.00 H new ATOM 0 HA ALA A 82 6.402 0.007 8.497 1.00 0.00 H new ATOM 0 HB1 ALA A 82 8.890 -0.202 8.800 1.00 0.00 H new ATOM 0 HB2 ALA A 82 8.009 -0.901 10.180 1.00 0.00 H new ATOM 0 HB3 ALA A 82 8.710 -1.967 8.940 1.00 0.00 H new ATOM 1213 N ASP A 83 7.413 -2.166 6.227 1.00 0.00 N ATOM 1214 CA ASP A 83 7.722 -2.302 4.798 1.00 0.00 C ATOM 1215 C ASP A 83 6.464 -1.974 4.004 1.00 0.00 C ATOM 1216 O ASP A 83 6.495 -1.194 3.061 1.00 0.00 O ATOM 1217 CB ASP A 83 8.207 -3.725 4.440 1.00 0.00 C ATOM 1218 CG ASP A 83 9.695 -3.983 4.680 1.00 0.00 C ATOM 1219 OD1 ASP A 83 10.455 -3.018 4.937 1.00 0.00 O ATOM 1220 OD2 ASP A 83 10.103 -5.164 4.674 1.00 0.00 O ATOM 0 H ASP A 83 7.372 -3.054 6.727 1.00 0.00 H new ATOM 0 HA ASP A 83 8.532 -1.615 4.551 1.00 0.00 H new ATOM 0 HB2 ASP A 83 7.631 -4.445 5.021 1.00 0.00 H new ATOM 0 HB3 ASP A 83 7.986 -3.914 3.389 1.00 0.00 H new ATOM 1225 N ILE A 84 5.330 -2.536 4.412 1.00 0.00 N ATOM 1226 CA ILE A 84 4.013 -2.363 3.796 1.00 0.00 C ATOM 1227 C ILE A 84 3.533 -0.906 3.913 1.00 0.00 C ATOM 1228 O ILE A 84 2.852 -0.405 3.012 1.00 0.00 O ATOM 1229 CB ILE A 84 3.095 -3.361 4.525 1.00 0.00 C ATOM 1230 CG1 ILE A 84 3.460 -4.795 4.073 1.00 0.00 C ATOM 1231 CG2 ILE A 84 1.586 -3.135 4.356 1.00 0.00 C ATOM 1232 CD1 ILE A 84 3.330 -5.768 5.230 1.00 0.00 C ATOM 0 H ILE A 84 5.300 -3.156 5.221 1.00 0.00 H new ATOM 0 HA ILE A 84 4.023 -2.562 2.724 1.00 0.00 H new ATOM 0 HB ILE A 84 3.278 -3.202 5.588 1.00 0.00 H new ATOM 0 HG12 ILE A 84 2.806 -5.102 3.257 1.00 0.00 H new ATOM 0 HG13 ILE A 84 4.480 -4.813 3.689 1.00 0.00 H new ATOM 0 HG21 ILE A 84 1.039 -3.896 4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.321 -2.148 4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 84 1.324 -3.200 3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 84 3.591 -6.771 4.893 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.003 -5.469 6.034 1.00 0.00 H new ATOM 0 HD13 ILE A 84 2.303 -5.764 5.596 1.00 0.00 H new ATOM 1244 N VAL A 85 3.882 -0.219 5.002 1.00 0.00 N ATOM 1245 CA VAL A 85 3.689 1.211 5.169 1.00 0.00 C ATOM 1246 C VAL A 85 4.554 1.946 4.157 1.00 0.00 C ATOM 1247 O VAL A 85 4.043 2.818 3.450 1.00 0.00 O ATOM 1248 CB VAL A 85 3.984 1.598 6.627 1.00 0.00 C ATOM 1249 CG1 VAL A 85 4.281 3.088 6.840 1.00 0.00 C ATOM 1250 CG2 VAL A 85 2.819 1.202 7.542 1.00 0.00 C ATOM 0 H VAL A 85 4.319 -0.660 5.811 1.00 0.00 H new ATOM 0 HA VAL A 85 2.656 1.499 4.975 1.00 0.00 H new ATOM 0 HB VAL A 85 4.890 1.047 6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 85 4.478 3.272 7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.154 3.372 6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.422 3.679 6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.050 1.486 8.569 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.913 1.714 7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.665 0.124 7.489 1.00 0.00 H new ATOM 1260 N LYS A 86 5.852 1.633 4.088 1.00 0.00 N ATOM 1261 CA LYS A 86 6.741 2.307 3.159 1.00 0.00 C ATOM 1262 C LYS A 86 6.293 2.092 1.725 1.00 0.00 C ATOM 1263 O LYS A 86 6.293 3.069 0.998 1.00 0.00 O ATOM 1264 CB LYS A 86 8.202 1.888 3.380 1.00 0.00 C ATOM 1265 CG LYS A 86 9.116 3.093 3.681 1.00 0.00 C ATOM 1266 CD LYS A 86 10.049 2.809 4.860 1.00 0.00 C ATOM 1267 CE LYS A 86 9.247 2.830 6.169 1.00 0.00 C ATOM 1268 NZ LYS A 86 9.566 1.711 7.071 1.00 0.00 N ATOM 0 H LYS A 86 6.301 0.921 4.664 1.00 0.00 H new ATOM 0 HA LYS A 86 6.688 3.378 3.355 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.254 1.180 4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 86 8.567 1.370 2.493 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.707 3.332 2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 86 8.505 3.968 3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 86 10.529 1.839 4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.843 3.555 4.896 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.437 3.770 6.687 1.00 0.00 H new ATOM 0 HE3 LYS A 86 8.183 2.805 5.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.544 2.042 8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.865 0.953 6.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.514 1.346 6.850 1.00 0.00 H new ATOM 1282 N LEU A 87 5.788 0.916 1.356 1.00 0.00 N ATOM 1283 CA LEU A 87 5.201 0.612 0.071 1.00 0.00 C ATOM 1284 C LEU A 87 4.127 1.634 -0.305 1.00 0.00 C ATOM 1285 O LEU A 87 4.117 2.144 -1.422 1.00 0.00 O ATOM 1286 CB LEU A 87 4.588 -0.796 0.213 1.00 0.00 C ATOM 1287 CG LEU A 87 5.354 -2.018 -0.321 1.00 0.00 C ATOM 1288 CD1 LEU A 87 4.683 -2.532 -1.590 1.00 0.00 C ATOM 1289 CD2 LEU A 87 6.854 -1.820 -0.543 1.00 0.00 C ATOM 0 H LEU A 87 5.782 0.113 1.985 1.00 0.00 H new ATOM 0 HA LEU A 87 5.948 0.649 -0.722 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.404 -0.965 1.274 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.616 -0.779 -0.281 1.00 0.00 H new ATOM 0 HG LEU A 87 5.300 -2.760 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.229 -3.398 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.655 -2.819 -1.367 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.684 -1.747 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 87 7.291 -2.745 -0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 87 7.012 -1.022 -1.268 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.329 -1.552 0.401 1.00 0.00 H new ATOM 1301 N ILE A 88 3.190 1.932 0.596 1.00 0.00 N ATOM 1302 CA ILE A 88 2.115 2.881 0.310 1.00 0.00 C ATOM 1303 C ILE A 88 2.706 4.289 0.232 1.00 0.00 C ATOM 1304 O ILE A 88 2.283 5.098 -0.590 1.00 0.00 O ATOM 1305 CB ILE A 88 1.049 2.777 1.416 1.00 0.00 C ATOM 1306 CG1 ILE A 88 0.360 1.396 1.345 1.00 0.00 C ATOM 1307 CG2 ILE A 88 -0.014 3.885 1.333 1.00 0.00 C ATOM 1308 CD1 ILE A 88 -0.288 0.974 2.665 1.00 0.00 C ATOM 0 H ILE A 88 3.155 1.528 1.532 1.00 0.00 H new ATOM 0 HA ILE A 88 1.640 2.655 -0.645 1.00 0.00 H new ATOM 0 HB ILE A 88 1.566 2.900 2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.401 1.417 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.095 0.646 1.053 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.737 3.757 2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.467 4.859 1.428 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.527 3.826 0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.754 -0.004 2.545 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.473 0.921 3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.046 1.704 2.948 1.00 0.00 H new ATOM 1320 N LYS A 89 3.669 4.607 1.097 1.00 0.00 N ATOM 1321 CA LYS A 89 4.281 5.925 1.106 1.00 0.00 C ATOM 1322 C LYS A 89 5.069 6.171 -0.184 1.00 0.00 C ATOM 1323 O LYS A 89 5.012 7.279 -0.719 1.00 0.00 O ATOM 1324 CB LYS A 89 5.130 6.075 2.374 1.00 0.00 C ATOM 1325 CG LYS A 89 5.046 7.517 2.873 1.00 0.00 C ATOM 1326 CD LYS A 89 5.822 7.692 4.179 1.00 0.00 C ATOM 1327 CE LYS A 89 5.717 9.120 4.711 1.00 0.00 C ATOM 1328 NZ LYS A 89 4.369 9.476 5.183 1.00 0.00 N ATOM 0 H LYS A 89 4.039 3.966 1.799 1.00 0.00 H new ATOM 0 HA LYS A 89 3.511 6.696 1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.776 5.390 3.145 1.00 0.00 H new ATOM 0 HB3 LYS A 89 6.167 5.811 2.164 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.445 8.191 2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.003 7.792 3.026 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.439 6.996 4.926 1.00 0.00 H new ATOM 0 HD3 LYS A 89 6.870 7.440 4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 89 6.425 9.246 5.530 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.013 9.814 3.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.382 10.439 5.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 3.701 9.436 4.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.071 8.805 5.920 1.00 0.00 H new ATOM 1342 N ASP A 90 5.749 5.142 -0.684 1.00 0.00 N ATOM 1343 CA ASP A 90 6.494 5.044 -1.938 1.00 0.00 C ATOM 1344 C ASP A 90 5.567 5.127 -3.151 1.00 0.00 C ATOM 1345 O ASP A 90 6.016 5.433 -4.255 1.00 0.00 O ATOM 1346 CB ASP A 90 7.233 3.690 -1.975 1.00 0.00 C ATOM 1347 CG ASP A 90 8.194 3.551 -3.155 1.00 0.00 C ATOM 1348 OD1 ASP A 90 8.958 4.508 -3.409 1.00 0.00 O ATOM 1349 OD2 ASP A 90 8.258 2.456 -3.761 1.00 0.00 O ATOM 0 H ASP A 90 5.797 4.264 -0.167 1.00 0.00 H new ATOM 0 HA ASP A 90 7.196 5.877 -1.983 1.00 0.00 H new ATOM 0 HB2 ASP A 90 7.790 3.564 -1.047 1.00 0.00 H new ATOM 0 HB3 ASP A 90 6.499 2.886 -2.018 1.00 0.00 H new ATOM 1354 N ALA A 91 4.263 4.882 -2.964 1.00 0.00 N ATOM 1355 CA ALA A 91 3.306 4.911 -4.059 1.00 0.00 C ATOM 1356 C ALA A 91 3.175 6.315 -4.670 1.00 0.00 C ATOM 1357 O ALA A 91 2.933 6.439 -5.871 1.00 0.00 O ATOM 1358 CB ALA A 91 1.956 4.395 -3.558 1.00 0.00 C ATOM 0 H ALA A 91 3.853 4.661 -2.056 1.00 0.00 H new ATOM 0 HA ALA A 91 3.668 4.262 -4.856 1.00 0.00 H new ATOM 0 HB1 ALA A 91 1.234 4.414 -4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 91 2.069 3.373 -3.197 1.00 0.00 H new ATOM 0 HB3 ALA A 91 1.603 5.030 -2.746 1.00 0.00 H new ATOM 1364 N GLY A 92 3.356 7.372 -3.876 1.00 0.00 N ATOM 1365 CA GLY A 92 3.031 8.729 -4.296 1.00 0.00 C ATOM 1366 C GLY A 92 1.565 9.009 -3.973 1.00 0.00 C ATOM 1367 O GLY A 92 1.059 8.517 -2.958 1.00 0.00 O ATOM 0 H GLY A 92 3.730 7.308 -2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 92 3.673 9.446 -3.784 1.00 0.00 H new ATOM 0 HA3 GLY A 92 3.211 8.846 -5.365 1.00 0.00 H new ATOM 1371 N LEU A 93 0.897 9.861 -4.757 1.00 0.00 N ATOM 1372 CA LEU A 93 -0.523 10.182 -4.563 1.00 0.00 C ATOM 1373 C LEU A 93 -1.421 9.142 -5.203 1.00 0.00 C ATOM 1374 O LEU A 93 -2.595 9.089 -4.853 1.00 0.00 O ATOM 1375 CB LEU A 93 -0.951 11.531 -5.167 1.00 0.00 C ATOM 1376 CG LEU A 93 0.043 12.670 -5.014 1.00 0.00 C ATOM 1377 CD1 LEU A 93 -0.508 13.975 -5.595 1.00 0.00 C ATOM 1378 CD2 LEU A 93 0.480 12.897 -3.565 1.00 0.00 C ATOM 0 H LEU A 93 1.324 10.348 -5.545 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.633 10.214 -3.479 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -1.148 11.386 -6.229 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -1.892 11.831 -4.707 1.00 0.00 H new ATOM 0 HG LEU A 93 0.924 12.366 -5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 93 0.228 14.769 -5.469 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -0.719 13.841 -6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.426 14.246 -5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.189 13.723 -3.524 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.391 13.136 -2.955 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.954 11.993 -3.182 1.00 0.00 H new ATOM 1390 N SER A 94 -0.918 8.369 -6.162 1.00 0.00 N ATOM 1391 CA SER A 94 -1.638 7.212 -6.663 1.00 0.00 C ATOM 1392 C SER A 94 -1.166 5.978 -5.910 1.00 0.00 C ATOM 1393 O SER A 94 0.030 5.817 -5.667 1.00 0.00 O ATOM 1394 CB SER A 94 -1.439 7.052 -8.174 1.00 0.00 C ATOM 1395 OG SER A 94 -0.093 7.127 -8.628 1.00 0.00 O ATOM 0 H SER A 94 -0.013 8.527 -6.605 1.00 0.00 H new ATOM 0 HA SER A 94 -2.707 7.348 -6.497 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.853 6.090 -8.477 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.019 7.823 -8.682 1.00 0.00 H new ATOM 0 HG SER A 94 -0.069 7.012 -9.601 1.00 0.00 H new ATOM 1401 N VAL A 95 -2.088 5.090 -5.562 1.00 0.00 N ATOM 1402 CA VAL A 95 -1.802 3.773 -5.046 1.00 0.00 C ATOM 1403 C VAL A 95 -2.886 2.843 -5.580 1.00 0.00 C ATOM 1404 O VAL A 95 -4.038 3.258 -5.728 1.00 0.00 O ATOM 1405 CB VAL A 95 -1.743 3.839 -3.506 1.00 0.00 C ATOM 1406 CG1 VAL A 95 -3.103 4.057 -2.824 1.00 0.00 C ATOM 1407 CG2 VAL A 95 -1.124 2.567 -2.944 1.00 0.00 C ATOM 0 H VAL A 95 -3.087 5.281 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.834 3.389 -5.369 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.130 4.713 -3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.967 4.090 -1.743 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.534 4.998 -3.165 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.774 3.237 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.089 2.629 -1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.726 1.708 -3.240 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.112 2.452 -3.333 1.00 0.00 H new ATOM 1417 N THR A 96 -2.539 1.582 -5.811 1.00 0.00 N ATOM 1418 CA THR A 96 -3.447 0.562 -6.281 1.00 0.00 C ATOM 1419 C THR A 96 -3.384 -0.605 -5.296 1.00 0.00 C ATOM 1420 O THR A 96 -2.311 -1.176 -5.069 1.00 0.00 O ATOM 1421 CB THR A 96 -3.066 0.195 -7.725 1.00 0.00 C ATOM 1422 OG1 THR A 96 -2.863 1.359 -8.507 1.00 0.00 O ATOM 1423 CG2 THR A 96 -4.185 -0.606 -8.373 1.00 0.00 C ATOM 0 H THR A 96 -1.589 1.239 -5.670 1.00 0.00 H new ATOM 0 HA THR A 96 -4.484 0.896 -6.316 1.00 0.00 H new ATOM 0 HB THR A 96 -2.147 -0.389 -7.682 1.00 0.00 H new ATOM 0 HG1 THR A 96 -2.620 1.101 -9.421 1.00 0.00 H new ATOM 0 HG21 THR A 96 -3.905 -0.861 -9.395 1.00 0.00 H new ATOM 0 HG22 THR A 96 -4.354 -1.520 -7.804 1.00 0.00 H new ATOM 0 HG23 THR A 96 -5.099 -0.012 -8.384 1.00 0.00 H new ATOM 1431 N LEU A 97 -4.515 -0.914 -4.659 1.00 0.00 N ATOM 1432 CA LEU A 97 -4.686 -2.111 -3.846 1.00 0.00 C ATOM 1433 C LEU A 97 -5.213 -3.188 -4.763 1.00 0.00 C ATOM 1434 O LEU A 97 -6.270 -3.023 -5.368 1.00 0.00 O ATOM 1435 CB LEU A 97 -5.739 -1.911 -2.748 1.00 0.00 C ATOM 1436 CG LEU A 97 -5.256 -1.017 -1.612 1.00 0.00 C ATOM 1437 CD1 LEU A 97 -6.447 -0.650 -0.733 1.00 0.00 C ATOM 1438 CD2 LEU A 97 -4.182 -1.673 -0.744 1.00 0.00 C ATOM 0 H LEU A 97 -5.349 -0.328 -4.697 1.00 0.00 H new ATOM 0 HA LEU A 97 -3.733 -2.359 -3.379 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -6.636 -1.476 -3.188 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -6.022 -2.883 -2.343 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.806 -0.134 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -6.113 -0.010 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -7.189 -0.120 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.891 -1.558 -0.324 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.882 -0.984 0.046 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.581 -2.584 -0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -3.317 -1.919 -1.360 1.00 0.00 H new ATOM 1450 N ARG A 98 -4.519 -4.313 -4.830 1.00 0.00 N ATOM 1451 CA ARG A 98 -5.051 -5.505 -5.472 1.00 0.00 C ATOM 1452 C ARG A 98 -5.653 -6.378 -4.381 1.00 0.00 C ATOM 1453 O ARG A 98 -4.963 -6.741 -3.425 1.00 0.00 O ATOM 1454 CB ARG A 98 -3.987 -6.169 -6.350 1.00 0.00 C ATOM 1455 CG ARG A 98 -4.453 -7.532 -6.874 1.00 0.00 C ATOM 1456 CD ARG A 98 -3.621 -8.023 -8.064 1.00 0.00 C ATOM 1457 NE ARG A 98 -4.104 -7.444 -9.333 1.00 0.00 N ATOM 1458 CZ ARG A 98 -3.449 -6.573 -10.114 1.00 0.00 C ATOM 1459 NH1 ARG A 98 -2.229 -6.157 -9.797 1.00 0.00 N ATOM 1460 NH2 ARG A 98 -4.025 -6.118 -11.221 1.00 0.00 N ATOM 0 H ARG A 98 -3.581 -4.426 -4.445 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.852 -5.279 -6.176 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -3.751 -5.517 -7.191 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -3.069 -6.294 -5.776 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -4.397 -8.265 -6.069 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.500 -7.464 -7.171 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -2.575 -7.755 -7.914 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -3.666 -9.111 -8.118 1.00 0.00 H new ATOM 0 HE ARG A 98 -5.029 -7.736 -9.647 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -1.777 -6.500 -8.949 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -1.743 -5.494 -10.401 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -4.962 -6.431 -11.474 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -3.530 -5.455 -11.818 1.00 0.00 H new ATOM 1474 N ILE A 99 -6.944 -6.677 -4.502 1.00 0.00 N ATOM 1475 CA ILE A 99 -7.786 -7.249 -3.453 1.00 0.00 C ATOM 1476 C ILE A 99 -8.450 -8.529 -3.980 1.00 0.00 C ATOM 1477 O ILE A 99 -8.377 -8.802 -5.185 1.00 0.00 O ATOM 1478 CB ILE A 99 -8.810 -6.187 -2.960 1.00 0.00 C ATOM 1479 CG1 ILE A 99 -10.045 -6.059 -3.876 1.00 0.00 C ATOM 1480 CG2 ILE A 99 -8.180 -4.797 -2.764 1.00 0.00 C ATOM 1481 CD1 ILE A 99 -11.352 -6.430 -3.171 1.00 0.00 C ATOM 0 H ILE A 99 -7.454 -6.521 -5.371 1.00 0.00 H new ATOM 0 HA ILE A 99 -7.187 -7.529 -2.587 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.141 -6.562 -1.992 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -10.114 -5.035 -4.243 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.913 -6.701 -4.747 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.942 -4.098 -2.419 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -7.383 -4.860 -2.023 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.768 -4.447 -3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -12.184 -6.320 -3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -11.300 -7.463 -2.828 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -11.504 -5.771 -2.316 1.00 0.00 H new ATOM 1493 N ILE A 100 -9.162 -9.262 -3.117 1.00 0.00 N ATOM 1494 CA ILE A 100 -9.852 -10.489 -3.469 1.00 0.00 C ATOM 1495 C ILE A 100 -11.361 -10.261 -3.320 1.00 0.00 C ATOM 1496 O ILE A 100 -11.858 -10.203 -2.189 1.00 0.00 O ATOM 1497 CB ILE A 100 -9.351 -11.689 -2.653 1.00 0.00 C ATOM 1498 CG1 ILE A 100 -7.817 -11.738 -2.620 1.00 0.00 C ATOM 1499 CG2 ILE A 100 -9.852 -12.946 -3.366 1.00 0.00 C ATOM 1500 CD1 ILE A 100 -7.226 -11.009 -1.405 1.00 0.00 C ATOM 0 H ILE A 100 -9.271 -9.006 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.635 -10.742 -4.507 1.00 0.00 H new ATOM 0 HB ILE A 100 -9.714 -11.613 -1.628 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -7.491 -12.778 -2.608 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.424 -11.291 -3.533 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -9.520 -13.830 -2.821 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -10.941 -12.932 -3.406 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -9.452 -12.973 -4.380 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -6.138 -11.076 -1.434 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.525 -9.961 -1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -7.594 -11.471 -0.489 1.00 0.00 H new ATOM 1512 N PRO A 101 -12.092 -10.103 -4.430 1.00 0.00 N ATOM 1513 CA PRO A 101 -13.544 -10.015 -4.431 1.00 0.00 C ATOM 1514 C PRO A 101 -14.161 -11.387 -4.137 1.00 0.00 C ATOM 1515 O PRO A 101 -13.442 -12.357 -3.884 1.00 0.00 O ATOM 1516 CB PRO A 101 -13.894 -9.470 -5.817 1.00 0.00 C ATOM 1517 CG PRO A 101 -12.715 -9.859 -6.715 1.00 0.00 C ATOM 1518 CD PRO A 101 -11.593 -10.297 -5.777 1.00 0.00 C ATOM 0 HA PRO A 101 -13.943 -9.363 -3.654 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -14.826 -9.899 -6.184 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -14.029 -8.389 -5.792 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.992 -10.665 -7.394 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -12.401 -9.017 -7.332 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -11.329 -11.341 -5.947 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -10.692 -9.708 -5.947 1.00 0.00 H new ATOM 1526 N GLN A 102 -15.490 -11.466 -4.082 1.00 0.00 N ATOM 1527 CA GLN A 102 -16.181 -12.661 -3.631 1.00 0.00 C ATOM 1528 C GLN A 102 -17.551 -12.771 -4.287 1.00 0.00 C ATOM 1529 O GLN A 102 -18.094 -11.775 -4.764 1.00 0.00 O ATOM 1530 CB GLN A 102 -16.300 -12.616 -2.102 1.00 0.00 C ATOM 1531 CG GLN A 102 -17.073 -11.406 -1.529 1.00 0.00 C ATOM 1532 CD GLN A 102 -16.215 -10.490 -0.655 1.00 0.00 C ATOM 1533 OE1 GLN A 102 -16.099 -9.279 -0.876 1.00 0.00 O ATOM 1534 NE2 GLN A 102 -15.597 -11.046 0.375 1.00 0.00 N ATOM 0 H GLN A 102 -16.111 -10.703 -4.349 1.00 0.00 H new ATOM 0 HA GLN A 102 -15.613 -13.545 -3.920 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -16.790 -13.530 -1.766 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -15.296 -12.618 -1.677 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -17.486 -10.825 -2.354 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -17.916 -11.769 -0.942 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -15.697 -12.046 0.551 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -15.020 -10.475 0.993 1.00 0.00 H new ATOM 1543 N GLU A 103 -18.124 -13.970 -4.236 1.00 0.00 N ATOM 1544 CA GLU A 103 -19.433 -14.279 -4.797 1.00 0.00 C ATOM 1545 C GLU A 103 -20.323 -15.079 -3.843 1.00 0.00 C ATOM 1546 O GLU A 103 -21.538 -15.135 -4.024 1.00 0.00 O ATOM 1547 CB GLU A 103 -19.292 -14.928 -6.184 1.00 0.00 C ATOM 1548 CG GLU A 103 -18.510 -16.251 -6.171 1.00 0.00 C ATOM 1549 CD GLU A 103 -16.989 -16.058 -6.130 1.00 0.00 C ATOM 1550 OE1 GLU A 103 -16.395 -15.542 -7.103 1.00 0.00 O ATOM 1551 OE2 GLU A 103 -16.343 -16.422 -5.117 1.00 0.00 O ATOM 0 H GLU A 103 -17.679 -14.773 -3.792 1.00 0.00 H new ATOM 0 HA GLU A 103 -19.959 -13.334 -4.934 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -20.286 -15.108 -6.594 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -18.793 -14.228 -6.854 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -18.818 -16.838 -5.306 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -18.772 -16.828 -7.058 1.00 0.00 H new ATOM 1558 N GLU A 104 -19.750 -15.622 -2.782 1.00 0.00 N ATOM 1559 CA GLU A 104 -20.368 -16.646 -1.944 1.00 0.00 C ATOM 1560 C GLU A 104 -20.023 -16.486 -0.459 1.00 0.00 C ATOM 1561 O GLU A 104 -20.619 -17.155 0.387 1.00 0.00 O ATOM 1562 CB GLU A 104 -19.930 -18.027 -2.477 1.00 0.00 C ATOM 1563 CG GLU A 104 -21.055 -18.832 -3.148 1.00 0.00 C ATOM 1564 CD GLU A 104 -21.531 -19.990 -2.265 1.00 0.00 C ATOM 1565 OE1 GLU A 104 -22.413 -19.787 -1.397 1.00 0.00 O ATOM 1566 OE2 GLU A 104 -20.990 -21.109 -2.396 1.00 0.00 O ATOM 0 H GLU A 104 -18.816 -15.358 -2.468 1.00 0.00 H new ATOM 0 HA GLU A 104 -21.452 -16.542 -2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -19.122 -17.887 -3.195 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -19.525 -18.611 -1.650 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -21.895 -18.172 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -20.702 -19.224 -4.102 1.00 0.00 H new ATOM 1573 N LEU A 105 -19.104 -15.580 -0.128 1.00 0.00 N ATOM 1574 CA LEU A 105 -18.588 -15.355 1.220 1.00 0.00 C ATOM 1575 C LEU A 105 -19.435 -14.306 1.951 1.00 0.00 C ATOM 1576 O LEU A 105 -19.198 -13.108 1.767 1.00 0.00 O ATOM 1577 CB LEU A 105 -17.125 -14.876 1.131 1.00 0.00 C ATOM 1578 CG LEU A 105 -16.111 -15.983 0.781 1.00 0.00 C ATOM 1579 CD1 LEU A 105 -14.869 -15.354 0.133 1.00 0.00 C ATOM 1580 CD2 LEU A 105 -15.685 -16.739 2.043 1.00 0.00 C ATOM 0 H LEU A 105 -18.683 -14.959 -0.819 1.00 0.00 H new ATOM 0 HA LEU A 105 -18.636 -16.289 1.780 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -17.059 -14.089 0.380 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -16.843 -14.431 2.085 1.00 0.00 H new ATOM 0 HG LEU A 105 -16.583 -16.681 0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -14.152 -16.137 -0.115 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -15.160 -14.828 -0.776 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -14.412 -14.650 0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -14.969 -17.517 1.777 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -15.223 -16.045 2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -16.560 -17.195 2.507 1.00 0.00 H new ATOM 1592 N ASN A 106 -20.354 -14.729 2.822 1.00 0.00 N ATOM 1593 CA ASN A 106 -21.134 -13.860 3.717 1.00 0.00 C ATOM 1594 C ASN A 106 -20.714 -14.090 5.176 1.00 0.00 C ATOM 1595 O ASN A 106 -19.595 -14.537 5.439 1.00 0.00 O ATOM 1596 CB ASN A 106 -22.655 -13.995 3.472 1.00 0.00 C ATOM 1597 CG ASN A 106 -23.365 -15.152 4.171 1.00 0.00 C ATOM 1598 OD1 ASN A 106 -22.760 -16.105 4.658 1.00 0.00 O ATOM 1599 ND2 ASN A 106 -24.675 -15.067 4.265 1.00 0.00 N ATOM 0 H ASN A 106 -20.586 -15.716 2.930 1.00 0.00 H new ATOM 0 HA ASN A 106 -20.908 -12.819 3.486 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -23.133 -13.066 3.783 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -22.819 -14.094 2.399 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -25.200 -15.797 4.746 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -25.165 -14.271 3.857 1.00 0.00 H new ATOM 1606 N SER A 107 -21.574 -13.760 6.143 1.00 0.00 N ATOM 1607 CA SER A 107 -21.501 -14.255 7.513 1.00 0.00 C ATOM 1608 C SER A 107 -22.819 -14.973 7.823 1.00 0.00 C ATOM 1609 O SER A 107 -23.850 -14.476 7.374 1.00 0.00 O ATOM 1610 CB SER A 107 -21.243 -13.089 8.468 1.00 0.00 C ATOM 1611 OG SER A 107 -22.097 -11.982 8.207 1.00 0.00 O ATOM 0 H SER A 107 -22.358 -13.126 5.988 1.00 0.00 H new ATOM 0 HA SER A 107 -20.678 -14.958 7.638 1.00 0.00 H new ATOM 0 HB2 SER A 107 -21.388 -13.424 9.495 1.00 0.00 H new ATOM 0 HB3 SER A 107 -20.204 -12.773 8.380 1.00 0.00 H new ATOM 0 HG SER A 107 -21.900 -11.260 8.840 1.00 0.00 H new ATOM 1617 N PRO A 108 -22.818 -16.080 8.587 1.00 0.00 N ATOM 1618 CA PRO A 108 -23.903 -17.061 8.556 1.00 0.00 C ATOM 1619 C PRO A 108 -25.209 -16.625 9.231 1.00 0.00 C ATOM 1620 O PRO A 108 -26.190 -17.354 9.104 1.00 0.00 O ATOM 1621 CB PRO A 108 -23.331 -18.319 9.223 1.00 0.00 C ATOM 1622 CG PRO A 108 -22.262 -17.773 10.166 1.00 0.00 C ATOM 1623 CD PRO A 108 -21.702 -16.591 9.375 1.00 0.00 C ATOM 0 HA PRO A 108 -24.206 -17.217 7.521 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -24.100 -18.870 9.765 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -22.906 -19.004 8.489 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -22.684 -17.460 11.121 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -21.495 -18.516 10.385 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -21.310 -15.824 10.042 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -20.880 -16.904 8.732 1.00 0.00 H new ATOM 1631 N SER A 109 -25.234 -15.482 9.928 1.00 0.00 N ATOM 1632 CA SER A 109 -26.414 -14.827 10.487 1.00 0.00 C ATOM 1633 C SER A 109 -27.497 -15.783 11.024 1.00 0.00 C ATOM 1634 O SER A 109 -28.479 -16.098 10.342 1.00 0.00 O ATOM 1635 CB SER A 109 -26.960 -13.853 9.440 1.00 0.00 C ATOM 1636 OG SER A 109 -26.316 -12.592 9.550 1.00 0.00 O ATOM 0 H SER A 109 -24.379 -14.963 10.126 1.00 0.00 H new ATOM 0 HA SER A 109 -26.101 -14.289 11.381 1.00 0.00 H new ATOM 0 HB2 SER A 109 -26.806 -14.260 8.441 1.00 0.00 H new ATOM 0 HB3 SER A 109 -28.035 -13.732 9.573 1.00 0.00 H new ATOM 0 HG SER A 109 -26.675 -11.981 8.873 1.00 0.00 H new ATOM 1642 N GLY A 110 -27.328 -16.201 12.279 1.00 0.00 N ATOM 1643 CA GLY A 110 -28.247 -17.084 12.980 1.00 0.00 C ATOM 1644 C GLY A 110 -28.766 -16.448 14.271 1.00 0.00 C ATOM 1645 O GLY A 110 -28.208 -16.717 15.339 1.00 0.00 O ATOM 0 H GLY A 110 -26.526 -15.925 12.846 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -29.088 -17.326 12.329 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -27.744 -18.023 13.213 1.00 0.00 H new ATOM 1649 N PRO A 111 -29.825 -15.619 14.232 1.00 0.00 N ATOM 1650 CA PRO A 111 -30.530 -15.208 15.439 1.00 0.00 C ATOM 1651 C PRO A 111 -31.176 -16.418 16.128 1.00 0.00 C ATOM 1652 O PRO A 111 -30.953 -16.628 17.319 1.00 0.00 O ATOM 1653 CB PRO A 111 -31.553 -14.159 14.993 1.00 0.00 C ATOM 1654 CG PRO A 111 -31.774 -14.464 13.512 1.00 0.00 C ATOM 1655 CD PRO A 111 -30.412 -14.992 13.059 1.00 0.00 C ATOM 0 HA PRO A 111 -29.859 -14.780 16.183 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -32.481 -14.240 15.560 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -31.177 -13.147 15.140 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -32.562 -15.203 13.366 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -32.066 -13.573 12.956 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -30.521 -15.708 12.245 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -29.781 -14.183 12.690 1.00 0.00 H new ATOM 1663 N SER A 112 -31.957 -17.219 15.397 1.00 0.00 N ATOM 1664 CA SER A 112 -32.662 -18.367 15.952 1.00 0.00 C ATOM 1665 C SER A 112 -31.650 -19.425 16.399 1.00 0.00 C ATOM 1666 O SER A 112 -30.737 -19.752 15.637 1.00 0.00 O ATOM 1667 CB SER A 112 -33.590 -18.913 14.863 1.00 0.00 C ATOM 1668 OG SER A 112 -34.504 -19.884 15.337 1.00 0.00 O ATOM 0 H SER A 112 -32.116 -17.084 14.398 1.00 0.00 H new ATOM 0 HA SER A 112 -33.250 -18.084 16.825 1.00 0.00 H new ATOM 0 HB2 SER A 112 -34.146 -18.086 14.422 1.00 0.00 H new ATOM 0 HB3 SER A 112 -32.986 -19.351 14.068 1.00 0.00 H new ATOM 0 HG SER A 112 -35.068 -20.191 14.597 1.00 0.00 H new ATOM 1674 N SER A 113 -31.858 -19.988 17.589 1.00 0.00 N ATOM 1675 CA SER A 113 -30.950 -20.873 18.312 1.00 0.00 C ATOM 1676 C SER A 113 -29.633 -20.147 18.583 1.00 0.00 C ATOM 1677 O SER A 113 -28.686 -20.231 17.799 1.00 0.00 O ATOM 1678 CB SER A 113 -30.769 -22.225 17.610 1.00 0.00 C ATOM 1679 OG SER A 113 -32.015 -22.769 17.206 1.00 0.00 O ATOM 0 H SER A 113 -32.722 -19.826 18.106 1.00 0.00 H new ATOM 0 HA SER A 113 -31.395 -21.122 19.276 1.00 0.00 H new ATOM 0 HB2 SER A 113 -30.125 -22.101 16.739 1.00 0.00 H new ATOM 0 HB3 SER A 113 -30.267 -22.921 18.282 1.00 0.00 H new ATOM 0 HG SER A 113 -31.867 -23.629 16.760 1.00 0.00 H new ATOM 1685 N GLY A 114 -29.593 -19.397 19.682 1.00 0.00 N ATOM 1686 CA GLY A 114 -28.413 -18.734 20.204 1.00 0.00 C ATOM 1687 C GLY A 114 -28.269 -19.144 21.646 1.00 0.00 C ATOM 1688 O GLY A 114 -29.144 -18.740 22.441 1.00 0.00 O ATOM 0 H GLY A 114 -30.421 -19.231 20.254 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -27.529 -19.018 19.634 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -28.512 -17.652 20.120 1.00 0.00 H new TER 1692 GLY A 114