USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 838 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 99 ASN : amide:sc= 0.619 K(o=1.1,f=0.23) USER MOD Set 1.2: A 102 THR OG1 : rot -148:sc= 0.486 USER MOD Set 2.1: A 1 ASN N :NH3+ -155:sc= 0.865 (180deg=-0.0734) USER MOD Set 2.2: A 5 ASN : amide:sc= -2.23! C(o=-1.4!,f=-16!) USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=-0.0065) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -0.419 K(o=-0.42,f=-5.7!) USER MOD Single : A 15 ASN :FLIP amide:sc= -0.643 F(o=-4.7!,f=-0.64) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.0279 USER MOD Single : A 26 THR OG1 : rot -68:sc= 0.788 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= -0.0471 (180deg=-0.618) USER MOD Single : A 35 TYR OH : rot -118:sc= -1.6! USER MOD Single : A 39 SER OG : rot 86:sc= 1.2 USER MOD Single : A 42 MET CE :methyl -163:sc= -0.0543 (180deg=-0.26) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 154:sc= -0.199 (180deg=-1.01) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.233 F(o=-0.99,f=-0.23) USER MOD Single : A 55 TYR OH : rot -168:sc= 0.562 USER MOD Single : A 56 ASN :FLIP amide:sc= -2.01! C(o=-3.7!,f=-2!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -45:sc= 0.536 USER MOD Single : A 63 ASN :FLIP amide:sc= -2.88! C(o=-3.6!,f=-2.9!) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 68 ASN : amide:sc= -2.01 X(o=-2,f=-2.3) USER MOD Single : A 69 THR OG1 : rot -29:sc= 0.353 USER MOD Single : A 73 HIS : no HD1:sc= -0.0769 X(o=-0.077,f=-0.35) USER MOD Single : A 75 HIS :FLIP no HD1:sc= -0.21 F(o=-1.3,f=-0.21) USER MOD Single : A 76 ASN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 162:sc= -0.0258 (180deg=-0.343) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 30:sc= -0.315 USER MOD Single : A 95 MET CE :methyl -160:sc= -2.38! (180deg=-2.61!) USER MOD Single : A 98 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -17.952 -1.611 -6.844 1.00 0.00 N ATOM 2 CA ASN A 1 -18.843 -0.418 -6.881 1.00 0.00 C ATOM 3 C ASN A 1 -20.259 -0.828 -6.477 1.00 0.00 C ATOM 4 O ASN A 1 -21.006 -0.048 -5.917 1.00 0.00 O ATOM 5 CB ASN A 1 -18.864 0.158 -8.300 1.00 0.00 C ATOM 6 CG ASN A 1 -19.638 1.478 -8.303 1.00 0.00 C ATOM 7 OD1 ASN A 1 -20.824 1.499 -8.562 1.00 0.00 O ATOM 8 ND2 ASN A 1 -19.011 2.587 -8.023 1.00 0.00 N ATOM 0 H1 ASN A 1 -16.969 -1.306 -6.696 1.00 0.00 H new ATOM 0 H2 ASN A 1 -18.242 -2.237 -6.065 1.00 0.00 H new ATOM 0 H3 ASN A 1 -18.022 -2.125 -7.745 1.00 0.00 H new ATOM 0 HA ASN A 1 -18.471 0.336 -6.188 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -17.846 0.320 -8.653 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -19.330 -0.551 -8.985 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -19.517 3.473 -8.022 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -18.015 2.569 -7.805 1.00 0.00 H new ATOM 17 N GLN A 2 -20.637 -2.045 -6.756 1.00 0.00 N ATOM 18 CA GLN A 2 -22.005 -2.505 -6.386 1.00 0.00 C ATOM 19 C GLN A 2 -22.077 -2.730 -4.874 1.00 0.00 C ATOM 20 O GLN A 2 -22.403 -3.806 -4.412 1.00 0.00 O ATOM 21 CB GLN A 2 -22.314 -3.815 -7.113 1.00 0.00 C ATOM 22 CG GLN A 2 -22.228 -3.592 -8.624 1.00 0.00 C ATOM 23 CD GLN A 2 -22.328 -4.936 -9.346 1.00 0.00 C ATOM 24 OE1 GLN A 2 -23.129 -5.775 -8.985 1.00 0.00 O ATOM 25 NE2 GLN A 2 -21.541 -5.179 -10.359 1.00 0.00 N ATOM 0 H GLN A 2 -20.057 -2.741 -7.225 1.00 0.00 H new ATOM 0 HA GLN A 2 -22.734 -1.748 -6.674 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -21.608 -4.588 -6.808 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -23.309 -4.167 -6.843 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -23.031 -2.931 -8.951 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -21.288 -3.101 -8.877 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -20.868 -4.475 -10.663 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -21.599 -6.073 -10.847 1.00 0.00 H new ATOM 34 N GLY A 3 -21.777 -1.723 -4.102 1.00 0.00 N ATOM 35 CA GLY A 3 -21.829 -1.878 -2.621 1.00 0.00 C ATOM 36 C GLY A 3 -20.847 -2.967 -2.185 1.00 0.00 C ATOM 37 O GLY A 3 -21.055 -3.644 -1.198 1.00 0.00 O ATOM 0 H GLY A 3 -21.498 -0.799 -4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -21.579 -0.934 -2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -22.840 -2.139 -2.308 1.00 0.00 H new ATOM 41 N ASP A 4 -19.777 -3.141 -2.911 1.00 0.00 N ATOM 42 CA ASP A 4 -18.784 -4.187 -2.536 1.00 0.00 C ATOM 43 C ASP A 4 -17.522 -4.026 -3.387 1.00 0.00 C ATOM 44 O ASP A 4 -17.590 -3.729 -4.564 1.00 0.00 O ATOM 45 CB ASP A 4 -19.387 -5.572 -2.774 1.00 0.00 C ATOM 46 CG ASP A 4 -18.372 -6.646 -2.377 1.00 0.00 C ATOM 47 OD1 ASP A 4 -17.395 -6.803 -3.091 1.00 0.00 O ATOM 48 OD2 ASP A 4 -18.589 -7.292 -1.365 1.00 0.00 O ATOM 0 H ASP A 4 -19.547 -2.604 -3.747 1.00 0.00 H new ATOM 0 HA ASP A 4 -18.526 -4.079 -1.483 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -20.301 -5.687 -2.191 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -19.661 -5.686 -3.823 1.00 0.00 H new ATOM 53 N ASN A 5 -16.371 -4.221 -2.801 1.00 0.00 N ATOM 54 CA ASN A 5 -15.099 -4.081 -3.569 1.00 0.00 C ATOM 55 C ASN A 5 -13.994 -4.852 -2.842 1.00 0.00 C ATOM 56 O ASN A 5 -13.702 -4.599 -1.688 1.00 0.00 O ATOM 57 CB ASN A 5 -14.716 -2.602 -3.661 1.00 0.00 C ATOM 58 CG ASN A 5 -15.682 -1.881 -4.603 1.00 0.00 C ATOM 59 OD1 ASN A 5 -15.597 -2.025 -5.807 1.00 0.00 O ATOM 60 ND2 ASN A 5 -16.604 -1.104 -4.103 1.00 0.00 N ATOM 0 H ASN A 5 -16.256 -4.472 -1.819 1.00 0.00 H new ATOM 0 HA ASN A 5 -15.229 -4.480 -4.575 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -14.747 -2.145 -2.672 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -13.694 -2.502 -4.026 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -17.253 -0.618 -4.722 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -16.676 -0.983 -3.093 1.00 0.00 H new ATOM 67 N GLU A 6 -13.380 -5.795 -3.508 1.00 0.00 N ATOM 68 CA GLU A 6 -12.296 -6.590 -2.857 1.00 0.00 C ATOM 69 C GLU A 6 -11.443 -7.276 -3.928 1.00 0.00 C ATOM 70 O GLU A 6 -11.888 -7.519 -5.032 1.00 0.00 O ATOM 71 CB GLU A 6 -12.925 -7.652 -1.951 1.00 0.00 C ATOM 72 CG GLU A 6 -13.873 -8.530 -2.770 1.00 0.00 C ATOM 73 CD GLU A 6 -14.616 -9.487 -1.836 1.00 0.00 C ATOM 74 OE1 GLU A 6 -15.622 -9.079 -1.280 1.00 0.00 O ATOM 75 OE2 GLU A 6 -14.166 -10.613 -1.694 1.00 0.00 O ATOM 0 H GLU A 6 -13.582 -6.049 -4.475 1.00 0.00 H new ATOM 0 HA GLU A 6 -11.665 -5.927 -2.265 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.146 -8.265 -1.498 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.469 -7.174 -1.136 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.585 -7.908 -3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -13.311 -9.094 -3.515 1.00 0.00 H new ATOM 82 N ILE A 7 -10.213 -7.590 -3.604 1.00 0.00 N ATOM 83 CA ILE A 7 -9.309 -8.265 -4.588 1.00 0.00 C ATOM 84 C ILE A 7 -8.347 -9.187 -3.833 1.00 0.00 C ATOM 85 O ILE A 7 -8.186 -9.078 -2.634 1.00 0.00 O ATOM 86 CB ILE A 7 -8.518 -7.212 -5.374 1.00 0.00 C ATOM 87 CG1 ILE A 7 -7.705 -6.344 -4.403 1.00 0.00 C ATOM 88 CG2 ILE A 7 -9.492 -6.329 -6.164 1.00 0.00 C ATOM 89 CD1 ILE A 7 -6.996 -5.224 -5.172 1.00 0.00 C ATOM 0 H ILE A 7 -9.793 -7.406 -2.693 1.00 0.00 H new ATOM 0 HA ILE A 7 -9.902 -8.853 -5.288 1.00 0.00 H new ATOM 0 HB ILE A 7 -7.837 -7.710 -6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.362 -5.917 -3.646 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -6.972 -6.958 -3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.932 -5.580 -6.723 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.063 -6.947 -6.857 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.174 -5.832 -5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -6.421 -4.612 -4.476 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -6.325 -5.659 -5.912 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -7.737 -4.602 -5.675 1.00 0.00 H new ATOM 101 N SER A 8 -7.713 -10.103 -4.523 1.00 0.00 N ATOM 102 CA SER A 8 -6.763 -11.047 -3.848 1.00 0.00 C ATOM 103 C SER A 8 -5.562 -11.308 -4.755 1.00 0.00 C ATOM 104 O SER A 8 -5.649 -11.232 -5.965 1.00 0.00 O ATOM 105 CB SER A 8 -7.478 -12.369 -3.565 1.00 0.00 C ATOM 106 OG SER A 8 -8.613 -12.122 -2.744 1.00 0.00 O ATOM 0 H SER A 8 -7.812 -10.240 -5.529 1.00 0.00 H new ATOM 0 HA SER A 8 -6.420 -10.605 -2.912 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.786 -12.837 -4.500 1.00 0.00 H new ATOM 0 HB3 SER A 8 -6.800 -13.064 -3.069 1.00 0.00 H new ATOM 0 HG SER A 8 -9.075 -12.967 -2.562 1.00 0.00 H new ATOM 112 N VAL A 9 -4.438 -11.620 -4.168 1.00 0.00 N ATOM 113 CA VAL A 9 -3.206 -11.898 -4.967 1.00 0.00 C ATOM 114 C VAL A 9 -2.367 -12.937 -4.225 1.00 0.00 C ATOM 115 O VAL A 9 -1.608 -12.614 -3.333 1.00 0.00 O ATOM 116 CB VAL A 9 -2.394 -10.610 -5.128 1.00 0.00 C ATOM 117 CG1 VAL A 9 -1.187 -10.879 -6.031 1.00 0.00 C ATOM 118 CG2 VAL A 9 -3.271 -9.524 -5.760 1.00 0.00 C ATOM 0 H VAL A 9 -4.318 -11.695 -3.158 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.481 -12.272 -5.953 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.051 -10.274 -4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.608 -9.963 -6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.561 -11.650 -5.582 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.532 -11.216 -7.009 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.691 -8.608 -5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.616 -9.859 -6.738 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.131 -9.332 -5.118 1.00 0.00 H new ATOM 128 N GLY A 10 -2.506 -14.186 -4.578 1.00 0.00 N ATOM 129 CA GLY A 10 -1.725 -15.250 -3.884 1.00 0.00 C ATOM 130 C GLY A 10 -2.396 -15.571 -2.548 1.00 0.00 C ATOM 131 O GLY A 10 -3.517 -16.039 -2.506 1.00 0.00 O ATOM 0 H GLY A 10 -3.127 -14.516 -5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.675 -16.145 -4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.700 -14.918 -3.720 1.00 0.00 H new ATOM 135 N ASN A 11 -1.717 -15.321 -1.455 1.00 0.00 N ATOM 136 CA ASN A 11 -2.301 -15.606 -0.103 1.00 0.00 C ATOM 137 C ASN A 11 -2.760 -14.298 0.547 1.00 0.00 C ATOM 138 O ASN A 11 -3.122 -14.271 1.709 1.00 0.00 O ATOM 139 CB ASN A 11 -1.232 -16.251 0.780 1.00 0.00 C ATOM 140 CG ASN A 11 -0.833 -17.607 0.194 1.00 0.00 C ATOM 141 OD1 ASN A 11 -1.089 -17.882 -0.961 1.00 0.00 O ATOM 142 ND2 ASN A 11 -0.211 -18.470 0.948 1.00 0.00 N ATOM 0 H ASN A 11 -0.776 -14.929 -1.440 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.152 -16.278 -0.212 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.360 -15.601 0.846 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.612 -16.379 1.794 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.061 -19.377 0.568 1.00 0.00 H new ATOM 0 HD22 ASN A 11 0.004 -18.238 1.918 1.00 0.00 H new ATOM 149 N LEU A 12 -2.730 -13.206 -0.186 1.00 0.00 N ATOM 150 CA LEU A 12 -3.151 -11.886 0.385 1.00 0.00 C ATOM 151 C LEU A 12 -4.559 -11.549 -0.110 1.00 0.00 C ATOM 152 O LEU A 12 -4.816 -11.521 -1.298 1.00 0.00 O ATOM 153 CB LEU A 12 -2.176 -10.792 -0.088 1.00 0.00 C ATOM 154 CG LEU A 12 -0.861 -10.862 0.705 1.00 0.00 C ATOM 155 CD1 LEU A 12 -0.080 -12.136 0.346 1.00 0.00 C ATOM 156 CD2 LEU A 12 -0.013 -9.632 0.368 1.00 0.00 C ATOM 0 H LEU A 12 -2.430 -13.175 -1.160 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.144 -11.940 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.973 -10.913 -1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.632 -9.810 0.039 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.088 -10.884 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.848 -12.167 0.918 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.683 -13.012 0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.150 -12.134 -0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.923 -9.671 0.925 1.00 0.00 H new ATOM 0 HD22 LEU A 12 0.201 -9.620 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.559 -8.728 0.639 1.00 0.00 H new ATOM 168 N ARG A 13 -5.471 -11.282 0.796 1.00 0.00 N ATOM 169 CA ARG A 13 -6.878 -10.928 0.404 1.00 0.00 C ATOM 170 C ARG A 13 -7.187 -9.513 0.891 1.00 0.00 C ATOM 171 O ARG A 13 -7.053 -9.210 2.056 1.00 0.00 O ATOM 172 CB ARG A 13 -7.853 -11.919 1.039 1.00 0.00 C ATOM 173 CG ARG A 13 -7.577 -13.325 0.498 1.00 0.00 C ATOM 174 CD ARG A 13 -8.617 -14.300 1.054 1.00 0.00 C ATOM 175 NE ARG A 13 -8.667 -14.184 2.540 1.00 0.00 N ATOM 176 CZ ARG A 13 -9.282 -15.093 3.247 1.00 0.00 C ATOM 177 NH1 ARG A 13 -9.845 -16.110 2.655 1.00 0.00 N ATOM 178 NH2 ARG A 13 -9.333 -14.983 4.546 1.00 0.00 N ATOM 0 H ARG A 13 -5.300 -11.294 1.802 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.983 -10.974 -0.680 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.745 -11.907 2.124 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.880 -11.628 0.818 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.613 -13.320 -0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.575 -13.645 0.782 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.597 -14.083 0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.364 -15.321 0.767 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.220 -13.393 3.005 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.805 -16.195 1.639 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.325 -16.820 3.208 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.893 -14.187 5.008 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.813 -15.693 5.099 1.00 0.00 H new ATOM 192 N LEU A 14 -7.592 -8.640 -0.004 1.00 0.00 N ATOM 193 CA LEU A 14 -7.914 -7.223 0.381 1.00 0.00 C ATOM 194 C LEU A 14 -9.433 -7.023 0.338 1.00 0.00 C ATOM 195 O LEU A 14 -10.107 -7.514 -0.546 1.00 0.00 O ATOM 196 CB LEU A 14 -7.251 -6.250 -0.612 1.00 0.00 C ATOM 197 CG LEU A 14 -5.739 -6.118 -0.330 1.00 0.00 C ATOM 198 CD1 LEU A 14 -4.989 -7.374 -0.797 1.00 0.00 C ATOM 199 CD2 LEU A 14 -5.190 -4.901 -1.081 1.00 0.00 C ATOM 0 H LEU A 14 -7.715 -8.850 -0.995 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.539 -7.028 1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.405 -6.604 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.725 -5.271 -0.539 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.593 -5.998 0.744 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.925 -7.261 -0.589 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.372 -8.245 -0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.137 -7.509 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.122 -4.804 -0.885 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.352 -5.030 -2.151 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.705 -4.002 -0.742 1.00 0.00 H new ATOM 211 N ASN A 15 -9.971 -6.296 1.288 1.00 0.00 N ATOM 212 CA ASN A 15 -11.450 -6.037 1.322 1.00 0.00 C ATOM 213 C ASN A 15 -11.695 -4.556 1.632 1.00 0.00 C ATOM 214 O ASN A 15 -11.683 -4.139 2.773 1.00 0.00 O ATOM 215 CB ASN A 15 -12.096 -6.910 2.412 1.00 0.00 C ATOM 216 CG ASN A 15 -12.250 -8.347 1.903 1.00 0.00 C ATOM 217 OD1 ASN A 15 -11.205 -8.987 1.456 1.00 0.00 O flip ATOM 218 ND2 ASN A 15 -13.337 -8.893 1.915 1.00 0.00 N flip ATOM 0 H ASN A 15 -9.446 -5.866 2.049 1.00 0.00 H new ATOM 0 HA ASN A 15 -11.891 -6.283 0.356 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -11.482 -6.897 3.312 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.070 -6.505 2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.155 -8.393 2.264 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -13.431 -9.850 1.576 1.00 0.00 H new ATOM 225 N VAL A 16 -11.922 -3.761 0.619 1.00 0.00 N ATOM 226 CA VAL A 16 -12.171 -2.308 0.842 1.00 0.00 C ATOM 227 C VAL A 16 -13.530 -2.126 1.512 1.00 0.00 C ATOM 228 O VAL A 16 -13.747 -1.191 2.257 1.00 0.00 O ATOM 229 CB VAL A 16 -12.170 -1.583 -0.504 1.00 0.00 C ATOM 230 CG1 VAL A 16 -12.205 -0.072 -0.270 1.00 0.00 C ATOM 231 CG2 VAL A 16 -10.902 -1.951 -1.281 1.00 0.00 C ATOM 0 H VAL A 16 -11.945 -4.058 -0.357 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.390 -1.896 1.481 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.047 -1.881 -1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.204 0.445 -1.230 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -13.107 0.190 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -11.328 0.228 0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -10.901 -1.434 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.024 -1.653 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.878 -3.028 -1.448 1.00 0.00 H new ATOM 241 N THR A 17 -14.444 -3.015 1.255 1.00 0.00 N ATOM 242 CA THR A 17 -15.793 -2.906 1.876 1.00 0.00 C ATOM 243 C THR A 17 -15.663 -3.049 3.395 1.00 0.00 C ATOM 244 O THR A 17 -16.090 -2.196 4.148 1.00 0.00 O ATOM 245 CB THR A 17 -16.711 -4.015 1.320 1.00 0.00 C ATOM 246 OG1 THR A 17 -17.636 -4.416 2.322 1.00 0.00 O ATOM 247 CG2 THR A 17 -15.874 -5.227 0.886 1.00 0.00 C ATOM 0 H THR A 17 -14.316 -3.817 0.638 1.00 0.00 H new ATOM 0 HA THR A 17 -16.228 -1.935 1.640 1.00 0.00 H new ATOM 0 HB THR A 17 -17.251 -3.626 0.457 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.219 -5.119 1.967 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.532 -6.003 0.496 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.170 -4.924 0.111 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.324 -5.615 1.743 1.00 0.00 H new ATOM 255 N ARG A 18 -15.069 -4.120 3.853 1.00 0.00 N ATOM 256 CA ARG A 18 -14.900 -4.318 5.322 1.00 0.00 C ATOM 257 C ARG A 18 -13.665 -3.543 5.776 1.00 0.00 C ATOM 258 O ARG A 18 -13.458 -3.305 6.948 1.00 0.00 O ATOM 259 CB ARG A 18 -14.712 -5.812 5.620 1.00 0.00 C ATOM 260 CG ARG A 18 -15.738 -6.631 4.830 1.00 0.00 C ATOM 261 CD ARG A 18 -17.158 -6.173 5.181 1.00 0.00 C ATOM 262 NE ARG A 18 -18.134 -7.210 4.741 1.00 0.00 N ATOM 263 CZ ARG A 18 -18.234 -8.333 5.400 1.00 0.00 C ATOM 264 NH1 ARG A 18 -17.482 -8.548 6.445 1.00 0.00 N ATOM 265 NH2 ARG A 18 -19.087 -9.242 5.014 1.00 0.00 N ATOM 0 H ARG A 18 -14.693 -4.868 3.271 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.781 -3.959 5.853 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.702 -6.121 5.352 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.829 -5.997 6.688 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.563 -6.514 3.761 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.622 -7.691 5.057 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.244 -6.009 6.255 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -17.376 -5.222 4.695 1.00 0.00 H new ATOM 0 HE ARG A 18 -18.723 -7.043 3.926 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.815 -7.838 6.748 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.561 -9.426 6.959 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.675 -9.075 4.198 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.165 -10.119 5.529 1.00 0.00 H new ATOM 279 N ARG A 19 -12.842 -3.160 4.839 1.00 0.00 N ATOM 280 CA ARG A 19 -11.604 -2.406 5.177 1.00 0.00 C ATOM 281 C ARG A 19 -10.693 -3.293 6.035 1.00 0.00 C ATOM 282 O ARG A 19 -10.512 -3.067 7.214 1.00 0.00 O ATOM 283 CB ARG A 19 -11.973 -1.115 5.941 1.00 0.00 C ATOM 284 CG ARG A 19 -10.837 -0.069 5.826 1.00 0.00 C ATOM 285 CD ARG A 19 -11.003 0.767 4.548 1.00 0.00 C ATOM 286 NE ARG A 19 -12.112 1.744 4.738 1.00 0.00 N ATOM 287 CZ ARG A 19 -12.290 2.706 3.873 1.00 0.00 C ATOM 288 NH1 ARG A 19 -11.497 2.815 2.842 1.00 0.00 N ATOM 289 NH2 ARG A 19 -13.263 3.562 4.040 1.00 0.00 N ATOM 0 H ARG A 19 -12.977 -3.340 3.844 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.077 -2.131 4.263 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.898 -0.701 5.540 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.156 -1.347 6.990 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.846 0.584 6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.870 -0.573 5.815 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.075 1.292 4.321 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.217 0.117 3.700 1.00 0.00 H new ATOM 0 HE ARG A 19 -12.732 1.661 5.544 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -10.737 2.148 2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -11.638 3.567 2.168 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -13.883 3.479 4.846 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -13.403 4.314 3.365 1.00 0.00 H new ATOM 303 N LEU A 20 -10.119 -4.303 5.439 1.00 0.00 N ATOM 304 CA LEU A 20 -9.219 -5.215 6.194 1.00 0.00 C ATOM 305 C LEU A 20 -8.397 -6.023 5.186 1.00 0.00 C ATOM 306 O LEU A 20 -8.812 -6.223 4.062 1.00 0.00 O ATOM 307 CB LEU A 20 -10.070 -6.153 7.063 1.00 0.00 C ATOM 308 CG LEU A 20 -9.181 -7.133 7.848 1.00 0.00 C ATOM 309 CD1 LEU A 20 -8.229 -6.368 8.789 1.00 0.00 C ATOM 310 CD2 LEU A 20 -10.084 -8.062 8.669 1.00 0.00 C ATOM 0 H LEU A 20 -10.238 -4.535 4.453 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.548 -4.649 6.841 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.672 -5.566 7.757 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.763 -6.710 6.433 1.00 0.00 H new ATOM 0 HG LEU A 20 -8.577 -7.713 7.150 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.609 -7.079 9.335 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.592 -5.706 8.202 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.812 -5.778 9.496 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.468 -8.764 9.232 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.683 -7.469 9.360 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.743 -8.614 7.999 1.00 0.00 H new ATOM 322 N VAL A 21 -7.228 -6.482 5.574 1.00 0.00 N ATOM 323 CA VAL A 21 -6.367 -7.275 4.634 1.00 0.00 C ATOM 324 C VAL A 21 -5.782 -8.486 5.362 1.00 0.00 C ATOM 325 O VAL A 21 -5.430 -8.412 6.522 1.00 0.00 O ATOM 326 CB VAL A 21 -5.216 -6.398 4.134 1.00 0.00 C ATOM 327 CG1 VAL A 21 -4.390 -7.179 3.107 1.00 0.00 C ATOM 328 CG2 VAL A 21 -5.777 -5.129 3.484 1.00 0.00 C ATOM 0 H VAL A 21 -6.832 -6.341 6.503 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.975 -7.610 3.793 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.582 -6.119 4.976 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.570 -6.556 2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.986 -8.078 3.573 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.025 -7.459 2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.955 -4.508 3.130 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.414 -5.402 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.362 -4.573 4.217 1.00 0.00 H new ATOM 338 N TRP A 22 -5.670 -9.601 4.676 1.00 0.00 N ATOM 339 CA TRP A 22 -5.094 -10.838 5.296 1.00 0.00 C ATOM 340 C TRP A 22 -3.703 -11.084 4.703 1.00 0.00 C ATOM 341 O TRP A 22 -3.460 -10.820 3.541 1.00 0.00 O ATOM 342 CB TRP A 22 -5.999 -12.040 4.985 1.00 0.00 C ATOM 343 CG TRP A 22 -7.226 -11.996 5.844 1.00 0.00 C ATOM 344 CD1 TRP A 22 -7.355 -12.617 7.037 1.00 0.00 C ATOM 345 CD2 TRP A 22 -8.491 -11.312 5.599 1.00 0.00 C ATOM 346 NE1 TRP A 22 -8.615 -12.358 7.544 1.00 0.00 N ATOM 347 CE2 TRP A 22 -9.353 -11.559 6.695 1.00 0.00 C ATOM 348 CE3 TRP A 22 -8.971 -10.509 4.548 1.00 0.00 C ATOM 349 CZ2 TRP A 22 -10.643 -11.030 6.746 1.00 0.00 C ATOM 350 CZ3 TRP A 22 -10.269 -9.975 4.597 1.00 0.00 C ATOM 351 CH2 TRP A 22 -11.103 -10.235 5.694 1.00 0.00 C ATOM 0 H TRP A 22 -5.956 -9.707 3.703 1.00 0.00 H new ATOM 0 HA TRP A 22 -5.024 -10.711 6.376 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -6.282 -12.030 3.932 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -5.456 -12.969 5.160 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -6.597 -13.218 7.517 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -8.957 -12.714 8.437 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.337 -10.302 3.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -11.281 -11.234 7.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -10.627 -9.360 3.785 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.100 -9.821 5.725 1.00 0.00 H new ATOM 362 N LEU A 23 -2.798 -11.593 5.500 1.00 0.00 N ATOM 363 CA LEU A 23 -1.404 -11.879 5.030 1.00 0.00 C ATOM 364 C LEU A 23 -1.074 -13.322 5.407 1.00 0.00 C ATOM 365 O LEU A 23 -0.826 -13.625 6.554 1.00 0.00 O ATOM 366 CB LEU A 23 -0.443 -10.920 5.745 1.00 0.00 C ATOM 367 CG LEU A 23 1.019 -11.197 5.359 1.00 0.00 C ATOM 368 CD1 LEU A 23 1.222 -10.990 3.846 1.00 0.00 C ATOM 369 CD2 LEU A 23 1.920 -10.227 6.138 1.00 0.00 C ATOM 0 H LEU A 23 -2.969 -11.828 6.478 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.312 -11.744 3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.699 -9.891 5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.561 -11.022 6.824 1.00 0.00 H new ATOM 0 HG LEU A 23 1.273 -12.229 5.603 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.262 -11.190 3.588 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.574 -11.672 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.974 -9.962 3.583 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.962 -10.409 5.877 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.656 -9.201 5.883 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.782 -10.382 7.208 1.00 0.00 H new ATOM 381 N GLY A 24 -1.090 -14.224 4.465 1.00 0.00 N ATOM 382 CA GLY A 24 -0.801 -15.641 4.817 1.00 0.00 C ATOM 383 C GLY A 24 -2.008 -16.191 5.573 1.00 0.00 C ATOM 384 O GLY A 24 -1.880 -16.847 6.585 1.00 0.00 O ATOM 0 H GLY A 24 -1.288 -14.045 3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.614 -16.227 3.917 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.097 -15.706 5.432 1.00 0.00 H new ATOM 388 N GLU A 25 -3.180 -15.907 5.072 1.00 0.00 N ATOM 389 CA GLU A 25 -4.439 -16.379 5.721 1.00 0.00 C ATOM 390 C GLU A 25 -4.594 -15.741 7.108 1.00 0.00 C ATOM 391 O GLU A 25 -5.591 -15.942 7.773 1.00 0.00 O ATOM 392 CB GLU A 25 -4.434 -17.909 5.850 1.00 0.00 C ATOM 393 CG GLU A 25 -3.958 -18.539 4.535 1.00 0.00 C ATOM 394 CD GLU A 25 -4.238 -20.045 4.555 1.00 0.00 C ATOM 395 OE1 GLU A 25 -5.262 -20.429 5.097 1.00 0.00 O ATOM 396 OE2 GLU A 25 -3.425 -20.785 4.029 1.00 0.00 O ATOM 0 H GLU A 25 -3.321 -15.357 4.224 1.00 0.00 H new ATOM 0 HA GLU A 25 -5.281 -16.080 5.096 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -3.779 -18.212 6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -5.435 -18.266 6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -4.470 -18.075 3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.892 -18.359 4.399 1.00 0.00 H new ATOM 403 N THR A 26 -3.629 -14.962 7.551 1.00 0.00 N ATOM 404 CA THR A 26 -3.743 -14.305 8.901 1.00 0.00 C ATOM 405 C THR A 26 -4.205 -12.858 8.730 1.00 0.00 C ATOM 406 O THR A 26 -3.791 -12.167 7.824 1.00 0.00 O ATOM 407 CB THR A 26 -2.385 -14.311 9.611 1.00 0.00 C ATOM 408 OG1 THR A 26 -1.446 -13.571 8.845 1.00 0.00 O ATOM 409 CG2 THR A 26 -1.893 -15.749 9.784 1.00 0.00 C ATOM 0 H THR A 26 -2.771 -14.753 7.040 1.00 0.00 H new ATOM 0 HA THR A 26 -4.466 -14.860 9.499 1.00 0.00 H new ATOM 0 HB THR A 26 -2.492 -13.852 10.594 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.256 -14.049 8.011 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.927 -15.745 10.289 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.612 -16.310 10.380 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.788 -16.218 8.806 1.00 0.00 H new ATOM 417 N ALA A 27 -5.072 -12.399 9.588 1.00 0.00 N ATOM 418 CA ALA A 27 -5.576 -10.999 9.469 1.00 0.00 C ATOM 419 C ALA A 27 -4.429 -9.999 9.629 1.00 0.00 C ATOM 420 O ALA A 27 -3.814 -9.902 10.673 1.00 0.00 O ATOM 421 CB ALA A 27 -6.622 -10.747 10.558 1.00 0.00 C ATOM 0 H ALA A 27 -5.455 -12.932 10.369 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.021 -10.867 8.483 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.994 -9.726 10.476 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.450 -11.445 10.436 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.168 -10.890 11.539 1.00 0.00 H new ATOM 427 N LEU A 28 -4.150 -9.238 8.602 1.00 0.00 N ATOM 428 CA LEU A 28 -3.058 -8.219 8.682 1.00 0.00 C ATOM 429 C LEU A 28 -3.639 -6.943 9.298 1.00 0.00 C ATOM 430 O LEU A 28 -4.659 -6.450 8.858 1.00 0.00 O ATOM 431 CB LEU A 28 -2.542 -7.928 7.267 1.00 0.00 C ATOM 432 CG LEU A 28 -1.253 -7.082 7.309 1.00 0.00 C ATOM 433 CD1 LEU A 28 -0.093 -7.870 7.967 1.00 0.00 C ATOM 434 CD2 LEU A 28 -0.871 -6.692 5.870 1.00 0.00 C ATOM 0 H LEU A 28 -4.634 -9.278 7.705 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.233 -8.584 9.294 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.348 -8.866 6.747 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.308 -7.401 6.698 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.432 -6.188 7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.804 -7.251 7.984 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.368 -8.138 8.987 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.103 -8.776 7.394 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.040 -6.093 5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.703 -7.594 5.281 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.679 -6.113 5.423 1.00 0.00 H new ATOM 446 N ASP A 29 -3.004 -6.406 10.312 1.00 0.00 N ATOM 447 CA ASP A 29 -3.522 -5.158 10.967 1.00 0.00 C ATOM 448 C ASP A 29 -2.685 -3.962 10.534 1.00 0.00 C ATOM 449 O ASP A 29 -1.487 -3.917 10.736 1.00 0.00 O ATOM 450 CB ASP A 29 -3.432 -5.301 12.482 1.00 0.00 C ATOM 451 CG ASP A 29 -4.129 -4.116 13.151 1.00 0.00 C ATOM 452 OD1 ASP A 29 -4.319 -3.112 12.484 1.00 0.00 O ATOM 453 OD2 ASP A 29 -4.461 -4.231 14.319 1.00 0.00 O ATOM 0 H ASP A 29 -2.145 -6.778 10.717 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.560 -5.006 10.670 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.897 -6.235 12.798 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.388 -5.344 12.792 1.00 0.00 H new ATOM 458 N LEU A 30 -3.315 -2.995 9.933 1.00 0.00 N ATOM 459 CA LEU A 30 -2.589 -1.773 9.459 1.00 0.00 C ATOM 460 C LEU A 30 -3.452 -0.533 9.720 1.00 0.00 C ATOM 461 O LEU A 30 -4.665 -0.593 9.711 1.00 0.00 O ATOM 462 CB LEU A 30 -2.275 -1.911 7.957 1.00 0.00 C ATOM 463 CG LEU A 30 -3.548 -1.800 7.092 1.00 0.00 C ATOM 464 CD1 LEU A 30 -3.170 -2.038 5.625 1.00 0.00 C ATOM 465 CD2 LEU A 30 -4.591 -2.850 7.524 1.00 0.00 C ATOM 0 H LEU A 30 -4.317 -2.994 9.744 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.650 -1.666 10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.566 -1.137 7.661 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.793 -2.871 7.773 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.980 -0.807 7.219 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.062 -1.962 5.003 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.443 -1.289 5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.736 -3.032 5.518 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.481 -2.756 6.902 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.171 -3.849 7.407 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.859 -2.689 8.568 1.00 0.00 H new ATOM 477 N THR A 31 -2.835 0.589 9.975 1.00 0.00 N ATOM 478 CA THR A 31 -3.621 1.823 10.260 1.00 0.00 C ATOM 479 C THR A 31 -4.376 2.267 8.991 1.00 0.00 C ATOM 480 O THR A 31 -3.920 2.026 7.891 1.00 0.00 O ATOM 481 CB THR A 31 -2.668 2.938 10.697 1.00 0.00 C ATOM 482 OG1 THR A 31 -1.975 3.439 9.562 1.00 0.00 O ATOM 483 CG2 THR A 31 -1.662 2.385 11.708 1.00 0.00 C ATOM 0 H THR A 31 -1.822 0.704 9.998 1.00 0.00 H new ATOM 0 HA THR A 31 -4.340 1.618 11.053 1.00 0.00 H new ATOM 0 HB THR A 31 -3.239 3.743 11.159 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.366 4.154 9.840 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.984 3.180 12.018 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.194 2.002 12.578 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.090 1.579 11.248 1.00 0.00 H new ATOM 491 N PRO A 32 -5.515 2.926 9.125 1.00 0.00 N ATOM 492 CA PRO A 32 -6.296 3.405 7.942 1.00 0.00 C ATOM 493 C PRO A 32 -5.405 4.075 6.886 1.00 0.00 C ATOM 494 O PRO A 32 -5.584 3.888 5.698 1.00 0.00 O ATOM 495 CB PRO A 32 -7.271 4.429 8.547 1.00 0.00 C ATOM 496 CG PRO A 32 -7.504 3.951 9.946 1.00 0.00 C ATOM 497 CD PRO A 32 -6.194 3.279 10.395 1.00 0.00 C ATOM 0 HA PRO A 32 -6.788 2.584 7.421 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.847 5.433 8.537 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.202 4.471 7.982 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.760 4.782 10.603 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.335 3.247 9.983 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.586 3.954 10.998 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.387 2.395 11.003 1.00 0.00 H new ATOM 505 N LYS A 33 -4.455 4.865 7.310 1.00 0.00 N ATOM 506 CA LYS A 33 -3.566 5.556 6.335 1.00 0.00 C ATOM 507 C LYS A 33 -2.954 4.532 5.377 1.00 0.00 C ATOM 508 O LYS A 33 -3.003 4.689 4.173 1.00 0.00 O ATOM 509 CB LYS A 33 -2.448 6.279 7.088 1.00 0.00 C ATOM 510 CG LYS A 33 -3.043 7.424 7.910 1.00 0.00 C ATOM 511 CD LYS A 33 -1.917 8.209 8.584 1.00 0.00 C ATOM 512 CE LYS A 33 -2.496 9.449 9.268 1.00 0.00 C ATOM 513 NZ LYS A 33 -3.572 9.037 10.214 1.00 0.00 N ATOM 0 H LYS A 33 -4.257 5.061 8.291 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.150 6.279 5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.925 5.581 7.742 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.713 6.667 6.383 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.625 8.083 7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.726 7.029 8.662 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.409 7.581 9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.172 8.503 7.845 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.711 9.982 9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.896 10.136 8.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.754 9.807 10.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -4.441 8.830 9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.272 8.186 10.732 1.00 0.00 H new ATOM 527 N GLU A 34 -2.381 3.486 5.900 1.00 0.00 N ATOM 528 CA GLU A 34 -1.771 2.457 5.014 1.00 0.00 C ATOM 529 C GLU A 34 -2.850 1.874 4.100 1.00 0.00 C ATOM 530 O GLU A 34 -2.570 1.422 3.008 1.00 0.00 O ATOM 531 CB GLU A 34 -1.160 1.344 5.869 1.00 0.00 C ATOM 532 CG GLU A 34 -0.345 0.390 4.987 1.00 0.00 C ATOM 533 CD GLU A 34 0.912 1.099 4.481 1.00 0.00 C ATOM 534 OE1 GLU A 34 1.204 2.173 4.978 1.00 0.00 O ATOM 535 OE2 GLU A 34 1.561 0.556 3.602 1.00 0.00 O ATOM 0 H GLU A 34 -2.308 3.299 6.900 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.989 2.912 4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.521 1.776 6.639 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.949 0.794 6.381 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.069 -0.498 5.555 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.949 0.054 4.144 1.00 0.00 H new ATOM 542 N TYR A 35 -4.082 1.878 4.533 1.00 0.00 N ATOM 543 CA TYR A 35 -5.167 1.320 3.678 1.00 0.00 C ATOM 544 C TYR A 35 -5.414 2.268 2.495 1.00 0.00 C ATOM 545 O TYR A 35 -5.785 1.847 1.416 1.00 0.00 O ATOM 546 CB TYR A 35 -6.457 1.155 4.514 1.00 0.00 C ATOM 547 CG TYR A 35 -7.301 0.024 3.947 1.00 0.00 C ATOM 548 CD1 TYR A 35 -8.034 0.219 2.768 1.00 0.00 C ATOM 549 CD2 TYR A 35 -7.336 -1.220 4.593 1.00 0.00 C ATOM 550 CE1 TYR A 35 -8.798 -0.829 2.237 1.00 0.00 C ATOM 551 CE2 TYR A 35 -8.103 -2.263 4.063 1.00 0.00 C ATOM 552 CZ TYR A 35 -8.831 -2.069 2.887 1.00 0.00 C ATOM 553 OH TYR A 35 -9.576 -3.105 2.364 1.00 0.00 O ATOM 0 H TYR A 35 -4.382 2.242 5.437 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.872 0.342 3.297 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.203 0.945 5.553 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.027 2.084 4.507 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.010 1.177 2.269 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.770 -1.373 5.500 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.361 -0.680 1.327 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.132 -3.219 4.564 1.00 0.00 H new ATOM 0 HH TYR A 35 -10.271 -3.364 3.004 1.00 0.00 H new ATOM 563 N ALA A 36 -5.208 3.544 2.689 1.00 0.00 N ATOM 564 CA ALA A 36 -5.428 4.515 1.579 1.00 0.00 C ATOM 565 C ALA A 36 -4.276 4.409 0.581 1.00 0.00 C ATOM 566 O ALA A 36 -4.484 4.230 -0.603 1.00 0.00 O ATOM 567 CB ALA A 36 -5.477 5.937 2.144 1.00 0.00 C ATOM 0 H ALA A 36 -4.897 3.955 3.569 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.370 4.289 1.080 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.638 6.646 1.332 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.294 6.016 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.534 6.163 2.642 1.00 0.00 H new ATOM 573 N LEU A 37 -3.063 4.505 1.050 1.00 0.00 N ATOM 574 CA LEU A 37 -1.904 4.394 0.123 1.00 0.00 C ATOM 575 C LEU A 37 -1.976 3.030 -0.558 1.00 0.00 C ATOM 576 O LEU A 37 -1.663 2.878 -1.723 1.00 0.00 O ATOM 577 CB LEU A 37 -0.585 4.503 0.911 1.00 0.00 C ATOM 578 CG LEU A 37 -0.561 5.786 1.781 1.00 0.00 C ATOM 579 CD1 LEU A 37 0.414 5.606 2.956 1.00 0.00 C ATOM 580 CD2 LEU A 37 -0.112 6.990 0.934 1.00 0.00 C ATOM 0 H LEU A 37 -2.825 4.655 2.031 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.937 5.196 -0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.464 3.626 1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.257 4.513 0.218 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.566 5.965 2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.425 6.512 3.562 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.094 4.763 3.569 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.416 5.415 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.098 7.886 1.554 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.888 6.806 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.807 7.132 0.106 1.00 0.00 H new ATOM 592 N LEU A 38 -2.392 2.037 0.174 1.00 0.00 N ATOM 593 CA LEU A 38 -2.499 0.667 -0.395 1.00 0.00 C ATOM 594 C LEU A 38 -3.536 0.656 -1.526 1.00 0.00 C ATOM 595 O LEU A 38 -3.325 0.070 -2.568 1.00 0.00 O ATOM 596 CB LEU A 38 -2.933 -0.292 0.722 1.00 0.00 C ATOM 597 CG LEU A 38 -3.240 -1.692 0.167 1.00 0.00 C ATOM 598 CD1 LEU A 38 -2.059 -2.208 -0.670 1.00 0.00 C ATOM 599 CD2 LEU A 38 -3.488 -2.641 1.346 1.00 0.00 C ATOM 0 H LEU A 38 -2.666 2.117 1.153 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.537 0.353 -0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.145 -0.360 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.816 0.105 1.223 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.121 -1.644 -0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.292 -3.200 -1.056 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.879 -1.528 -1.503 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.167 -2.262 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.708 -3.640 0.969 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.599 -2.678 1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.334 -2.280 1.932 1.00 0.00 H new ATOM 611 N SER A 39 -4.660 1.290 -1.321 1.00 0.00 N ATOM 612 CA SER A 39 -5.724 1.305 -2.368 1.00 0.00 C ATOM 613 C SER A 39 -5.147 1.786 -3.698 1.00 0.00 C ATOM 614 O SER A 39 -5.503 1.303 -4.754 1.00 0.00 O ATOM 615 CB SER A 39 -6.847 2.247 -1.935 1.00 0.00 C ATOM 616 OG SER A 39 -7.311 1.861 -0.648 1.00 0.00 O ATOM 0 H SER A 39 -4.888 1.801 -0.468 1.00 0.00 H new ATOM 0 HA SER A 39 -6.114 0.295 -2.493 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.486 3.275 -1.911 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.665 2.212 -2.655 1.00 0.00 H new ATOM 0 HG SER A 39 -6.753 2.280 0.040 1.00 0.00 H new ATOM 622 N ARG A 40 -4.260 2.738 -3.658 1.00 0.00 N ATOM 623 CA ARG A 40 -3.657 3.254 -4.920 1.00 0.00 C ATOM 624 C ARG A 40 -2.548 2.303 -5.379 1.00 0.00 C ATOM 625 O ARG A 40 -2.425 1.991 -6.549 1.00 0.00 O ATOM 626 CB ARG A 40 -3.071 4.651 -4.649 1.00 0.00 C ATOM 627 CG ARG A 40 -4.192 5.716 -4.621 1.00 0.00 C ATOM 628 CD ARG A 40 -4.554 6.170 -6.045 1.00 0.00 C ATOM 629 NE ARG A 40 -5.446 7.362 -5.967 1.00 0.00 N ATOM 630 CZ ARG A 40 -5.764 8.012 -7.054 1.00 0.00 C ATOM 631 NH1 ARG A 40 -5.305 7.616 -8.209 1.00 0.00 N ATOM 632 NH2 ARG A 40 -6.543 9.057 -6.984 1.00 0.00 N ATOM 0 H ARG A 40 -3.924 3.184 -2.804 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.414 3.318 -5.701 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.539 4.650 -3.697 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.343 4.902 -5.421 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.075 5.307 -4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.869 6.575 -4.032 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.650 6.413 -6.603 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.052 5.362 -6.582 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.808 7.670 -5.064 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.698 6.798 -8.263 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.554 8.124 -9.058 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.903 9.365 -6.081 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -6.792 9.565 -7.833 1.00 0.00 H new ATOM 646 N LEU A 41 -1.731 1.854 -4.470 1.00 0.00 N ATOM 647 CA LEU A 41 -0.618 0.945 -4.853 1.00 0.00 C ATOM 648 C LEU A 41 -1.176 -0.370 -5.411 1.00 0.00 C ATOM 649 O LEU A 41 -0.656 -0.912 -6.367 1.00 0.00 O ATOM 650 CB LEU A 41 0.252 0.677 -3.618 1.00 0.00 C ATOM 651 CG LEU A 41 1.349 -0.358 -3.927 1.00 0.00 C ATOM 652 CD1 LEU A 41 2.156 0.059 -5.169 1.00 0.00 C ATOM 653 CD2 LEU A 41 2.289 -0.470 -2.715 1.00 0.00 C ATOM 0 H LEU A 41 -1.786 2.078 -3.476 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.012 1.413 -5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.710 1.608 -3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.373 0.317 -2.801 1.00 0.00 H new ATOM 0 HG LEU A 41 0.881 -1.321 -4.128 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.926 -0.686 -5.370 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.489 0.133 -6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.625 1.026 -4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.069 -1.201 -2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.745 0.500 -2.517 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.720 -0.788 -1.841 1.00 0.00 H new ATOM 665 N MET A 42 -2.224 -0.896 -4.832 1.00 0.00 N ATOM 666 CA MET A 42 -2.788 -2.178 -5.354 1.00 0.00 C ATOM 667 C MET A 42 -3.496 -1.921 -6.686 1.00 0.00 C ATOM 668 O MET A 42 -3.424 -2.714 -7.604 1.00 0.00 O ATOM 669 CB MET A 42 -3.777 -2.772 -4.337 1.00 0.00 C ATOM 670 CG MET A 42 -5.045 -1.915 -4.264 1.00 0.00 C ATOM 671 SD MET A 42 -6.011 -2.388 -2.809 1.00 0.00 S ATOM 672 CE MET A 42 -7.628 -1.859 -3.424 1.00 0.00 C ATOM 0 H MET A 42 -2.710 -0.499 -4.028 1.00 0.00 H new ATOM 0 HA MET A 42 -1.977 -2.890 -5.510 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.035 -3.791 -4.624 1.00 0.00 H new ATOM 0 HB3 MET A 42 -3.309 -2.826 -3.354 1.00 0.00 H new ATOM 0 HG2 MET A 42 -4.780 -0.859 -4.210 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.640 -2.049 -5.168 1.00 0.00 H new ATOM 0 HE1 MET A 42 -8.325 -1.776 -2.590 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.532 -0.890 -3.915 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.003 -2.592 -4.138 1.00 0.00 H new ATOM 682 N MET A 43 -4.183 -0.817 -6.796 1.00 0.00 N ATOM 683 CA MET A 43 -4.901 -0.504 -8.066 1.00 0.00 C ATOM 684 C MET A 43 -3.907 -0.580 -9.222 1.00 0.00 C ATOM 685 O MET A 43 -4.260 -0.891 -10.342 1.00 0.00 O ATOM 686 CB MET A 43 -5.499 0.907 -7.979 1.00 0.00 C ATOM 687 CG MET A 43 -6.441 1.166 -9.166 1.00 0.00 C ATOM 688 SD MET A 43 -5.468 1.538 -10.646 1.00 0.00 S ATOM 689 CE MET A 43 -6.858 1.912 -11.742 1.00 0.00 C ATOM 0 H MET A 43 -4.279 -0.117 -6.061 1.00 0.00 H new ATOM 0 HA MET A 43 -5.707 -1.220 -8.229 1.00 0.00 H new ATOM 0 HB2 MET A 43 -6.045 1.020 -7.042 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.699 1.648 -7.973 1.00 0.00 H new ATOM 0 HG2 MET A 43 -7.069 0.293 -9.342 1.00 0.00 H new ATOM 0 HG3 MET A 43 -7.108 1.998 -8.939 1.00 0.00 H new ATOM 0 HE1 MET A 43 -6.481 2.173 -12.731 1.00 0.00 H new ATOM 0 HE2 MET A 43 -7.506 1.039 -11.819 1.00 0.00 H new ATOM 0 HE3 MET A 43 -7.426 2.750 -11.337 1.00 0.00 H new ATOM 699 N LYS A 44 -2.658 -0.307 -8.940 1.00 0.00 N ATOM 700 CA LYS A 44 -1.589 -0.360 -9.991 1.00 0.00 C ATOM 701 C LYS A 44 -0.593 -1.471 -9.630 1.00 0.00 C ATOM 702 O LYS A 44 0.607 -1.297 -9.714 1.00 0.00 O ATOM 703 CB LYS A 44 -0.865 0.995 -10.024 1.00 0.00 C ATOM 704 CG LYS A 44 -1.722 2.051 -10.760 1.00 0.00 C ATOM 705 CD LYS A 44 -1.507 1.966 -12.280 1.00 0.00 C ATOM 706 CE LYS A 44 -2.234 3.128 -12.958 1.00 0.00 C ATOM 707 NZ LYS A 44 -1.716 4.418 -12.422 1.00 0.00 N ATOM 0 H LYS A 44 -2.326 -0.045 -8.012 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.024 -0.567 -10.969 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.660 1.329 -9.007 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.098 0.887 -10.524 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.776 1.896 -10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.461 3.048 -10.406 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.442 2.003 -12.511 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.882 1.016 -12.660 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.085 3.084 -14.037 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.307 3.053 -12.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.848 5.167 -13.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -2.234 4.667 -11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -0.704 4.322 -12.205 1.00 0.00 H new ATOM 721 N ALA A 45 -1.086 -2.609 -9.217 1.00 0.00 N ATOM 722 CA ALA A 45 -0.178 -3.726 -8.838 1.00 0.00 C ATOM 723 C ALA A 45 0.473 -4.330 -10.086 1.00 0.00 C ATOM 724 O ALA A 45 -0.154 -4.493 -11.114 1.00 0.00 O ATOM 725 CB ALA A 45 -0.983 -4.807 -8.115 1.00 0.00 C ATOM 0 H ALA A 45 -2.082 -2.811 -9.126 1.00 0.00 H new ATOM 0 HA ALA A 45 0.603 -3.341 -8.183 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.322 -5.627 -7.836 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.436 -4.385 -7.218 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.766 -5.181 -8.775 1.00 0.00 H new ATOM 731 N GLY A 46 1.735 -4.669 -9.993 1.00 0.00 N ATOM 732 CA GLY A 46 2.459 -5.274 -11.158 1.00 0.00 C ATOM 733 C GLY A 46 3.239 -4.189 -11.901 1.00 0.00 C ATOM 734 O GLY A 46 4.139 -4.476 -12.665 1.00 0.00 O ATOM 0 H GLY A 46 2.301 -4.552 -9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.140 -6.052 -10.811 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.748 -5.750 -11.833 1.00 0.00 H new ATOM 738 N SER A 47 2.900 -2.940 -11.675 1.00 0.00 N ATOM 739 CA SER A 47 3.609 -1.803 -12.352 1.00 0.00 C ATOM 740 C SER A 47 4.241 -0.916 -11.270 1.00 0.00 C ATOM 741 O SER A 47 3.744 -0.853 -10.163 1.00 0.00 O ATOM 742 CB SER A 47 2.586 -0.990 -13.152 1.00 0.00 C ATOM 743 OG SER A 47 2.242 -1.703 -14.333 1.00 0.00 O ATOM 0 H SER A 47 2.152 -2.656 -11.042 1.00 0.00 H new ATOM 0 HA SER A 47 4.382 -2.175 -13.024 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.696 -0.810 -12.549 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.000 -0.015 -13.409 1.00 0.00 H new ATOM 0 HG SER A 47 1.586 -1.187 -14.847 1.00 0.00 H new ATOM 749 N PRO A 48 5.322 -0.232 -11.567 1.00 0.00 N ATOM 750 CA PRO A 48 5.990 0.649 -10.563 1.00 0.00 C ATOM 751 C PRO A 48 5.166 1.911 -10.286 1.00 0.00 C ATOM 752 O PRO A 48 4.902 2.696 -11.175 1.00 0.00 O ATOM 753 CB PRO A 48 7.333 0.993 -11.230 1.00 0.00 C ATOM 754 CG PRO A 48 7.051 0.918 -12.698 1.00 0.00 C ATOM 755 CD PRO A 48 6.028 -0.212 -12.865 1.00 0.00 C ATOM 0 HA PRO A 48 6.108 0.169 -9.592 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.677 1.987 -10.942 1.00 0.00 H new ATOM 0 HB3 PRO A 48 8.113 0.289 -10.939 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.655 1.863 -13.070 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.960 0.710 -13.262 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.344 -0.016 -13.691 1.00 0.00 H new ATOM 0 HD3 PRO A 48 6.513 -1.166 -13.073 1.00 0.00 H new ATOM 763 N VAL A 49 4.750 2.105 -9.057 1.00 0.00 N ATOM 764 CA VAL A 49 3.932 3.305 -8.707 1.00 0.00 C ATOM 765 C VAL A 49 4.817 4.384 -8.086 1.00 0.00 C ATOM 766 O VAL A 49 5.639 4.114 -7.235 1.00 0.00 O ATOM 767 CB VAL A 49 2.860 2.901 -7.696 1.00 0.00 C ATOM 768 CG1 VAL A 49 2.039 4.130 -7.289 1.00 0.00 C ATOM 769 CG2 VAL A 49 1.945 1.860 -8.336 1.00 0.00 C ATOM 0 H VAL A 49 4.945 1.477 -8.277 1.00 0.00 H new ATOM 0 HA VAL A 49 3.470 3.697 -9.613 1.00 0.00 H new ATOM 0 HB VAL A 49 3.332 2.482 -6.807 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.276 3.836 -6.568 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.696 4.874 -6.839 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.560 4.556 -8.171 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.176 1.564 -7.623 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.474 2.285 -9.222 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.531 0.986 -8.621 1.00 0.00 H new ATOM 779 N HIS A 50 4.637 5.613 -8.489 1.00 0.00 N ATOM 780 CA HIS A 50 5.450 6.712 -7.905 1.00 0.00 C ATOM 781 C HIS A 50 4.949 6.989 -6.483 1.00 0.00 C ATOM 782 O HIS A 50 3.778 7.229 -6.265 1.00 0.00 O ATOM 783 CB HIS A 50 5.295 7.969 -8.768 1.00 0.00 C ATOM 784 CG HIS A 50 6.325 9.003 -8.385 1.00 0.00 C ATOM 785 ND1 HIS A 50 7.373 8.984 -7.492 1.00 0.00 N flip ATOM 786 CD2 HIS A 50 6.348 10.265 -8.964 1.00 0.00 C flip ATOM 787 CE1 HIS A 50 8.028 10.210 -7.521 1.00 0.00 C flip ATOM 788 NE2 HIS A 50 7.373 10.945 -8.421 1.00 0.00 N flip ATOM 0 H HIS A 50 3.962 5.901 -9.197 1.00 0.00 H new ATOM 0 HA HIS A 50 6.502 6.430 -7.874 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.405 7.710 -9.821 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.294 8.381 -8.644 1.00 0.00 H new ATOM 0 HD2 HIS A 50 5.665 10.634 -9.715 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.887 10.505 -6.937 1.00 0.00 H new ATOM 0 HE2 HIS A 50 7.619 11.904 -8.667 1.00 0.00 H new ATOM 797 N ARG A 51 5.823 6.953 -5.516 1.00 0.00 N ATOM 798 CA ARG A 51 5.398 7.209 -4.112 1.00 0.00 C ATOM 799 C ARG A 51 4.694 8.559 -4.051 1.00 0.00 C ATOM 800 O ARG A 51 4.010 8.881 -3.099 1.00 0.00 O ATOM 801 CB ARG A 51 6.620 7.205 -3.179 1.00 0.00 C ATOM 802 CG ARG A 51 7.530 8.405 -3.475 1.00 0.00 C ATOM 803 CD ARG A 51 8.827 8.268 -2.676 1.00 0.00 C ATOM 804 NE ARG A 51 9.566 7.055 -3.125 1.00 0.00 N ATOM 805 CZ ARG A 51 10.808 6.875 -2.765 1.00 0.00 C ATOM 806 NH1 ARG A 51 11.402 7.756 -2.007 1.00 0.00 N ATOM 807 NH2 ARG A 51 11.455 5.813 -3.162 1.00 0.00 N ATOM 0 H ARG A 51 6.816 6.757 -5.638 1.00 0.00 H new ATOM 0 HA ARG A 51 4.716 6.424 -3.785 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.291 7.239 -2.140 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.179 6.278 -3.307 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.750 8.454 -4.541 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.024 9.333 -3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 51 9.446 9.155 -2.814 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.604 8.197 -1.611 1.00 0.00 H new ATOM 0 HE ARG A 51 9.101 6.364 -3.714 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.896 8.585 -1.696 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.372 7.615 -1.726 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.990 5.124 -3.753 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.425 5.672 -2.881 1.00 0.00 H new ATOM 821 N GLU A 52 4.864 9.352 -5.068 1.00 0.00 N ATOM 822 CA GLU A 52 4.216 10.684 -5.089 1.00 0.00 C ATOM 823 C GLU A 52 2.699 10.513 -5.051 1.00 0.00 C ATOM 824 O GLU A 52 2.038 11.027 -4.175 1.00 0.00 O ATOM 825 CB GLU A 52 4.613 11.423 -6.367 1.00 0.00 C ATOM 826 CG GLU A 52 4.069 12.851 -6.320 1.00 0.00 C ATOM 827 CD GLU A 52 4.544 13.621 -7.553 1.00 0.00 C ATOM 828 OE1 GLU A 52 4.147 13.251 -8.646 1.00 0.00 O ATOM 829 OE2 GLU A 52 5.296 14.566 -7.384 1.00 0.00 O ATOM 0 H GLU A 52 5.428 9.131 -5.889 1.00 0.00 H new ATOM 0 HA GLU A 52 4.539 11.259 -4.221 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.698 11.439 -6.468 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.219 10.901 -7.239 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.980 12.835 -6.286 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.409 13.351 -5.413 1.00 0.00 H new ATOM 836 N ILE A 53 2.140 9.790 -5.988 1.00 0.00 N ATOM 837 CA ILE A 53 0.660 9.594 -6.005 1.00 0.00 C ATOM 838 C ILE A 53 0.183 9.038 -4.665 1.00 0.00 C ATOM 839 O ILE A 53 -0.928 9.286 -4.244 1.00 0.00 O ATOM 840 CB ILE A 53 0.289 8.616 -7.123 1.00 0.00 C ATOM 841 CG1 ILE A 53 0.748 9.186 -8.471 1.00 0.00 C ATOM 842 CG2 ILE A 53 -1.229 8.412 -7.143 1.00 0.00 C ATOM 843 CD1 ILE A 53 0.639 8.106 -9.550 1.00 0.00 C ATOM 0 H ILE A 53 2.646 9.327 -6.743 1.00 0.00 H new ATOM 0 HA ILE A 53 0.178 10.556 -6.180 1.00 0.00 H new ATOM 0 HB ILE A 53 0.779 7.659 -6.947 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.136 10.047 -8.741 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.777 9.538 -8.397 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.492 7.716 -7.939 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.554 8.007 -6.185 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.722 9.368 -7.319 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.966 8.513 -10.507 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.270 7.259 -9.282 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.397 7.776 -9.631 1.00 0.00 H new ATOM 855 N LEU A 54 1.009 8.299 -3.987 1.00 0.00 N ATOM 856 CA LEU A 54 0.589 7.748 -2.671 1.00 0.00 C ATOM 857 C LEU A 54 0.525 8.894 -1.660 1.00 0.00 C ATOM 858 O LEU A 54 -0.430 9.051 -0.933 1.00 0.00 O ATOM 859 CB LEU A 54 1.601 6.691 -2.212 1.00 0.00 C ATOM 860 CG LEU A 54 1.888 5.706 -3.355 1.00 0.00 C ATOM 861 CD1 LEU A 54 2.796 4.581 -2.839 1.00 0.00 C ATOM 862 CD2 LEU A 54 0.570 5.105 -3.880 1.00 0.00 C ATOM 0 H LEU A 54 1.953 8.052 -4.284 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.392 7.279 -2.753 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.526 7.174 -1.897 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.211 6.154 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 54 2.384 6.236 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.002 3.880 -3.648 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.733 5.006 -2.480 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.298 4.057 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.785 4.408 -4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.064 4.577 -3.072 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.072 5.904 -4.250 1.00 0.00 H new ATOM 874 N TYR A 55 1.531 9.716 -1.629 1.00 0.00 N ATOM 875 CA TYR A 55 1.520 10.864 -0.673 1.00 0.00 C ATOM 876 C TYR A 55 0.207 11.640 -0.841 1.00 0.00 C ATOM 877 O TYR A 55 -0.357 12.148 0.107 1.00 0.00 O ATOM 878 CB TYR A 55 2.716 11.780 -0.958 1.00 0.00 C ATOM 879 CG TYR A 55 2.694 12.970 -0.015 1.00 0.00 C ATOM 880 CD1 TYR A 55 2.818 12.769 1.367 1.00 0.00 C ATOM 881 CD2 TYR A 55 2.553 14.274 -0.519 1.00 0.00 C ATOM 882 CE1 TYR A 55 2.800 13.864 2.240 1.00 0.00 C ATOM 883 CE2 TYR A 55 2.536 15.366 0.358 1.00 0.00 C ATOM 884 CZ TYR A 55 2.660 15.161 1.736 1.00 0.00 C ATOM 885 OH TYR A 55 2.643 16.238 2.598 1.00 0.00 O ATOM 0 H TYR A 55 2.360 9.648 -2.220 1.00 0.00 H new ATOM 0 HA TYR A 55 1.595 10.498 0.351 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.647 11.226 -0.836 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.683 12.124 -1.992 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.928 11.769 1.759 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.458 14.434 -1.583 1.00 0.00 H new ATOM 0 HE1 TYR A 55 2.894 13.707 3.304 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.427 16.368 -0.030 1.00 0.00 H new ATOM 0 HH TYR A 55 2.350 17.039 2.115 1.00 0.00 H new ATOM 895 N ASN A 56 -0.269 11.733 -2.050 1.00 0.00 N ATOM 896 CA ASN A 56 -1.534 12.472 -2.318 1.00 0.00 C ATOM 897 C ASN A 56 -2.721 11.768 -1.643 1.00 0.00 C ATOM 898 O ASN A 56 -3.758 12.358 -1.427 1.00 0.00 O ATOM 899 CB ASN A 56 -1.778 12.540 -3.827 1.00 0.00 C ATOM 900 CG ASN A 56 -0.620 13.275 -4.509 1.00 0.00 C ATOM 901 OD1 ASN A 56 0.425 12.599 -4.904 1.00 0.00 O flip ATOM 902 ND2 ASN A 56 -0.667 14.477 -4.683 1.00 0.00 N flip ATOM 0 H ASN A 56 0.170 11.323 -2.875 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.442 13.479 -1.912 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.872 11.534 -4.235 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.717 13.055 -4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.483 15.005 -4.375 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.110 14.957 -5.137 1.00 0.00 H new ATOM 909 N ASP A 57 -2.593 10.509 -1.327 1.00 0.00 N ATOM 910 CA ASP A 57 -3.736 9.803 -0.687 1.00 0.00 C ATOM 911 C ASP A 57 -4.140 10.526 0.600 1.00 0.00 C ATOM 912 O ASP A 57 -5.284 10.892 0.784 1.00 0.00 O ATOM 913 CB ASP A 57 -3.337 8.367 -0.359 1.00 0.00 C ATOM 914 CG ASP A 57 -3.192 7.567 -1.654 1.00 0.00 C ATOM 915 OD1 ASP A 57 -2.623 8.096 -2.594 1.00 0.00 O ATOM 916 OD2 ASP A 57 -3.658 6.439 -1.685 1.00 0.00 O ATOM 0 H ASP A 57 -1.757 9.945 -1.482 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.580 9.797 -1.377 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.398 8.357 0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.089 7.907 0.282 1.00 0.00 H new ATOM 921 N ILE A 58 -3.217 10.714 1.501 1.00 0.00 N ATOM 922 CA ILE A 58 -3.550 11.393 2.794 1.00 0.00 C ATOM 923 C ILE A 58 -3.540 12.916 2.620 1.00 0.00 C ATOM 924 O ILE A 58 -4.350 13.616 3.197 1.00 0.00 O ATOM 925 CB ILE A 58 -2.514 10.990 3.855 1.00 0.00 C ATOM 926 CG1 ILE A 58 -2.243 9.480 3.772 1.00 0.00 C ATOM 927 CG2 ILE A 58 -3.034 11.339 5.253 1.00 0.00 C ATOM 928 CD1 ILE A 58 -3.560 8.692 3.807 1.00 0.00 C ATOM 0 H ILE A 58 -2.243 10.428 1.402 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.547 11.086 3.110 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.588 11.535 3.669 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.701 9.252 2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.607 9.173 4.602 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -2.294 11.050 5.999 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.214 12.412 5.317 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.965 10.803 5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.347 7.625 3.747 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.087 8.905 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.182 8.986 2.962 1.00 0.00 H new ATOM 940 N TYR A 59 -2.626 13.434 1.838 1.00 0.00 N ATOM 941 CA TYR A 59 -2.543 14.919 1.628 1.00 0.00 C ATOM 942 C TYR A 59 -3.139 15.284 0.266 1.00 0.00 C ATOM 943 O TYR A 59 -3.144 14.495 -0.650 1.00 0.00 O ATOM 944 CB TYR A 59 -1.076 15.348 1.673 1.00 0.00 C ATOM 945 CG TYR A 59 -0.520 15.075 3.050 1.00 0.00 C ATOM 946 CD1 TYR A 59 -0.616 16.050 4.050 1.00 0.00 C ATOM 947 CD2 TYR A 59 0.088 13.845 3.329 1.00 0.00 C ATOM 948 CE1 TYR A 59 -0.104 15.795 5.328 1.00 0.00 C ATOM 949 CE2 TYR A 59 0.600 13.590 4.607 1.00 0.00 C ATOM 950 CZ TYR A 59 0.505 14.566 5.607 1.00 0.00 C ATOM 951 OH TYR A 59 1.010 14.314 6.866 1.00 0.00 O ATOM 0 H TYR A 59 -1.927 12.891 1.331 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.103 15.430 2.411 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.503 14.804 0.922 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.987 16.408 1.436 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.085 16.999 3.836 1.00 0.00 H new ATOM 0 HD2 TYR A 59 0.162 13.092 2.558 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.179 16.547 6.099 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.068 12.641 4.822 1.00 0.00 H new ATOM 0 HH TYR A 59 1.397 13.414 6.889 1.00 0.00 H new ATOM 961 N SER A 60 -3.644 16.478 0.128 1.00 0.00 N ATOM 962 CA SER A 60 -4.240 16.891 -1.174 1.00 0.00 C ATOM 963 C SER A 60 -4.424 18.410 -1.196 1.00 0.00 C ATOM 964 O SER A 60 -5.214 18.940 -1.951 1.00 0.00 O ATOM 965 CB SER A 60 -5.599 16.215 -1.343 1.00 0.00 C ATOM 966 OG SER A 60 -6.065 16.420 -2.670 1.00 0.00 O ATOM 0 H SER A 60 -3.670 17.187 0.861 1.00 0.00 H new ATOM 0 HA SER A 60 -3.577 16.595 -1.987 1.00 0.00 H new ATOM 0 HB2 SER A 60 -5.515 15.148 -1.136 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.313 16.624 -0.628 1.00 0.00 H new ATOM 0 HG SER A 60 -5.933 17.358 -2.922 1.00 0.00 H new ATOM 972 N TRP A 61 -3.701 19.113 -0.371 1.00 0.00 N ATOM 973 CA TRP A 61 -3.832 20.595 -0.340 1.00 0.00 C ATOM 974 C TRP A 61 -2.674 21.180 0.465 1.00 0.00 C ATOM 975 O TRP A 61 -2.564 22.376 0.639 1.00 0.00 O ATOM 976 CB TRP A 61 -5.159 20.977 0.318 1.00 0.00 C ATOM 977 CG TRP A 61 -5.243 20.350 1.673 1.00 0.00 C ATOM 978 CD1 TRP A 61 -5.583 19.063 1.914 1.00 0.00 C ATOM 979 CD2 TRP A 61 -4.990 20.957 2.973 1.00 0.00 C ATOM 980 NE1 TRP A 61 -5.554 18.842 3.278 1.00 0.00 N ATOM 981 CE2 TRP A 61 -5.195 19.979 3.974 1.00 0.00 C ATOM 982 CE3 TRP A 61 -4.607 22.249 3.376 1.00 0.00 C ATOM 983 CZ2 TRP A 61 -5.026 20.271 5.328 1.00 0.00 C ATOM 984 CZ3 TRP A 61 -4.436 22.547 4.738 1.00 0.00 C ATOM 985 CH2 TRP A 61 -4.645 21.560 5.711 1.00 0.00 C ATOM 0 H TRP A 61 -3.023 18.724 0.285 1.00 0.00 H new ATOM 0 HA TRP A 61 -3.809 20.989 -1.356 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -5.237 22.061 0.402 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -5.993 20.645 -0.300 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -5.836 18.329 1.164 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -5.771 17.947 3.717 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.443 23.016 2.634 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -5.188 19.507 6.074 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -4.142 23.542 5.037 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -4.512 21.796 6.757 1.00 0.00 H new ATOM 996 N ASP A 62 -1.808 20.338 0.960 1.00 0.00 N ATOM 997 CA ASP A 62 -0.652 20.838 1.756 1.00 0.00 C ATOM 998 C ASP A 62 0.206 21.763 0.884 1.00 0.00 C ATOM 999 O ASP A 62 -0.217 22.837 0.504 1.00 0.00 O ATOM 1000 CB ASP A 62 0.188 19.651 2.235 1.00 0.00 C ATOM 1001 CG ASP A 62 0.538 18.760 1.043 1.00 0.00 C ATOM 1002 OD1 ASP A 62 -0.369 18.400 0.310 1.00 0.00 O ATOM 1003 OD2 ASP A 62 1.708 18.453 0.881 1.00 0.00 O ATOM 0 H ASP A 62 -1.851 19.325 0.847 1.00 0.00 H new ATOM 0 HA ASP A 62 -1.016 21.394 2.620 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.099 20.007 2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -0.364 19.079 2.981 1.00 0.00 H new ATOM 1008 N ASN A 63 1.407 21.357 0.563 1.00 0.00 N ATOM 1009 CA ASN A 63 2.291 22.213 -0.284 1.00 0.00 C ATOM 1010 C ASN A 63 3.356 21.340 -0.948 1.00 0.00 C ATOM 1011 O ASN A 63 3.164 20.823 -2.030 1.00 0.00 O ATOM 1012 CB ASN A 63 2.971 23.266 0.593 1.00 0.00 C ATOM 1013 CG ASN A 63 1.932 24.276 1.083 1.00 0.00 C ATOM 1014 OD1 ASN A 63 1.338 24.079 2.229 1.00 0.00 O flip ATOM 1015 ND2 ASN A 63 1.657 25.254 0.416 1.00 0.00 N flip ATOM 0 H ASN A 63 1.815 20.468 0.851 1.00 0.00 H new ATOM 0 HA ASN A 63 1.695 22.708 -1.050 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.456 22.787 1.443 1.00 0.00 H new ATOM 0 HB3 ASN A 63 3.750 23.777 0.027 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.121 25.408 -0.479 1.00 0.00 H new ATOM 0 HD22 ASN A 63 0.962 25.921 0.751 1.00 0.00 H new ATOM 1022 N GLU A 64 4.482 21.174 -0.308 1.00 0.00 N ATOM 1023 CA GLU A 64 5.560 20.337 -0.904 1.00 0.00 C ATOM 1024 C GLU A 64 6.640 20.068 0.153 1.00 0.00 C ATOM 1025 O GLU A 64 7.779 20.459 -0.005 1.00 0.00 O ATOM 1026 CB GLU A 64 6.178 21.078 -2.095 1.00 0.00 C ATOM 1027 CG GLU A 64 7.056 20.119 -2.903 1.00 0.00 C ATOM 1028 CD GLU A 64 7.638 20.855 -4.111 1.00 0.00 C ATOM 1029 OE1 GLU A 64 7.080 21.873 -4.486 1.00 0.00 O ATOM 1030 OE2 GLU A 64 8.632 20.387 -4.643 1.00 0.00 O ATOM 0 H GLU A 64 4.701 21.582 0.601 1.00 0.00 H new ATOM 0 HA GLU A 64 5.143 19.389 -1.244 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.391 21.487 -2.729 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.773 21.920 -1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.860 19.731 -2.278 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.469 19.263 -3.234 1.00 0.00 H new ATOM 1037 N PRO A 65 6.283 19.406 1.227 1.00 0.00 N ATOM 1038 CA PRO A 65 7.241 19.085 2.327 1.00 0.00 C ATOM 1039 C PRO A 65 8.165 17.917 1.957 1.00 0.00 C ATOM 1040 O PRO A 65 7.982 16.801 2.400 1.00 0.00 O ATOM 1041 CB PRO A 65 6.316 18.713 3.496 1.00 0.00 C ATOM 1042 CG PRO A 65 5.107 18.122 2.837 1.00 0.00 C ATOM 1043 CD PRO A 65 4.930 18.890 1.516 1.00 0.00 C ATOM 0 HA PRO A 65 7.914 19.912 2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 65 6.792 17.999 4.168 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.057 19.588 4.092 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.244 17.056 2.654 1.00 0.00 H new ATOM 0 HG3 PRO A 65 4.226 18.226 3.471 1.00 0.00 H new ATOM 0 HD2 PRO A 65 4.571 18.239 0.719 1.00 0.00 H new ATOM 0 HD3 PRO A 65 4.206 19.699 1.617 1.00 0.00 H new ATOM 1051 N ALA A 66 9.157 18.170 1.147 1.00 0.00 N ATOM 1052 CA ALA A 66 10.091 17.079 0.747 1.00 0.00 C ATOM 1053 C ALA A 66 10.994 16.720 1.928 1.00 0.00 C ATOM 1054 O ALA A 66 11.731 15.754 1.885 1.00 0.00 O ATOM 1055 CB ALA A 66 10.949 17.550 -0.428 1.00 0.00 C ATOM 0 H ALA A 66 9.361 19.085 0.745 1.00 0.00 H new ATOM 0 HA ALA A 66 9.518 16.201 0.450 1.00 0.00 H new ATOM 0 HB1 ALA A 66 11.633 16.753 -0.722 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.305 17.804 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.522 18.429 -0.131 1.00 0.00 H new ATOM 1061 N THR A 67 10.944 17.486 2.982 1.00 0.00 N ATOM 1062 CA THR A 67 11.802 17.186 4.162 1.00 0.00 C ATOM 1063 C THR A 67 11.553 15.746 4.617 1.00 0.00 C ATOM 1064 O THR A 67 10.572 15.129 4.252 1.00 0.00 O ATOM 1065 CB THR A 67 11.458 18.148 5.302 1.00 0.00 C ATOM 1066 OG1 THR A 67 12.148 17.750 6.478 1.00 0.00 O ATOM 1067 CG2 THR A 67 9.951 18.123 5.560 1.00 0.00 C ATOM 0 H THR A 67 10.346 18.307 3.077 1.00 0.00 H new ATOM 0 HA THR A 67 12.851 17.307 3.890 1.00 0.00 H new ATOM 0 HB THR A 67 11.759 19.159 5.027 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.931 18.366 7.209 1.00 0.00 H new ATOM 0 HG21 THR A 67 9.709 18.809 6.372 1.00 0.00 H new ATOM 0 HG22 THR A 67 9.422 18.429 4.657 1.00 0.00 H new ATOM 0 HG23 THR A 67 9.646 17.113 5.835 1.00 0.00 H new ATOM 1075 N ASN A 68 12.434 15.206 5.414 1.00 0.00 N ATOM 1076 CA ASN A 68 12.246 13.807 5.890 1.00 0.00 C ATOM 1077 C ASN A 68 11.052 13.753 6.846 1.00 0.00 C ATOM 1078 O ASN A 68 11.120 14.221 7.966 1.00 0.00 O ATOM 1079 CB ASN A 68 13.510 13.341 6.618 1.00 0.00 C ATOM 1080 CG ASN A 68 13.429 11.835 6.872 1.00 0.00 C ATOM 1081 OD1 ASN A 68 13.083 11.075 5.988 1.00 0.00 O ATOM 1082 ND2 ASN A 68 13.737 11.366 8.050 1.00 0.00 N ATOM 0 H ASN A 68 13.274 15.672 5.755 1.00 0.00 H new ATOM 0 HA ASN A 68 12.059 13.153 5.038 1.00 0.00 H new ATOM 0 HB2 ASN A 68 14.392 13.573 6.021 1.00 0.00 H new ATOM 0 HB3 ASN A 68 13.615 13.874 7.563 1.00 0.00 H new ATOM 0 HD21 ASN A 68 13.687 10.363 8.229 1.00 0.00 H new ATOM 0 HD22 ASN A 68 14.027 12.002 8.792 1.00 0.00 H new ATOM 1089 N THR A 69 9.959 13.186 6.413 1.00 0.00 N ATOM 1090 CA THR A 69 8.759 13.102 7.292 1.00 0.00 C ATOM 1091 C THR A 69 7.767 12.101 6.701 1.00 0.00 C ATOM 1092 O THR A 69 7.627 10.994 7.179 1.00 0.00 O ATOM 1093 CB THR A 69 8.099 14.480 7.391 1.00 0.00 C ATOM 1094 OG1 THR A 69 9.080 15.451 7.728 1.00 0.00 O ATOM 1095 CG2 THR A 69 7.014 14.452 8.468 1.00 0.00 C ATOM 0 H THR A 69 9.846 12.776 5.486 1.00 0.00 H new ATOM 0 HA THR A 69 9.059 12.773 8.287 1.00 0.00 H new ATOM 0 HB THR A 69 7.649 14.737 6.432 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.788 15.030 8.259 1.00 0.00 H new ATOM 0 HG21 THR A 69 6.545 15.433 8.538 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.261 13.708 8.207 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.461 14.195 9.428 1.00 0.00 H new ATOM 1103 N LEU A 70 7.077 12.484 5.664 1.00 0.00 N ATOM 1104 CA LEU A 70 6.094 11.558 5.040 1.00 0.00 C ATOM 1105 C LEU A 70 6.793 10.256 4.645 1.00 0.00 C ATOM 1106 O LEU A 70 6.237 9.183 4.764 1.00 0.00 O ATOM 1107 CB LEU A 70 5.484 12.231 3.800 1.00 0.00 C ATOM 1108 CG LEU A 70 6.579 12.512 2.718 1.00 0.00 C ATOM 1109 CD1 LEU A 70 6.556 11.434 1.622 1.00 0.00 C ATOM 1110 CD2 LEU A 70 6.327 13.875 2.055 1.00 0.00 C ATOM 0 H LEU A 70 7.152 13.400 5.221 1.00 0.00 H new ATOM 0 HA LEU A 70 5.300 11.328 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.708 11.591 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.004 13.166 4.088 1.00 0.00 H new ATOM 0 HG LEU A 70 7.548 12.505 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.326 11.651 0.882 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.746 10.458 2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 70 5.579 11.428 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.094 14.061 1.304 1.00 0.00 H new ATOM 0 HD22 LEU A 70 5.346 13.872 1.579 1.00 0.00 H new ATOM 0 HD23 LEU A 70 6.362 14.659 2.811 1.00 0.00 H new ATOM 1122 N GLU A 71 8.008 10.339 4.174 1.00 0.00 N ATOM 1123 CA GLU A 71 8.738 9.105 3.770 1.00 0.00 C ATOM 1124 C GLU A 71 9.027 8.256 5.008 1.00 0.00 C ATOM 1125 O GLU A 71 9.082 7.044 4.942 1.00 0.00 O ATOM 1126 CB GLU A 71 10.057 9.494 3.099 1.00 0.00 C ATOM 1127 CG GLU A 71 10.686 8.265 2.434 1.00 0.00 C ATOM 1128 CD GLU A 71 9.874 7.879 1.196 1.00 0.00 C ATOM 1129 OE1 GLU A 71 8.939 7.109 1.340 1.00 0.00 O ATOM 1130 OE2 GLU A 71 10.201 8.362 0.124 1.00 0.00 O ATOM 0 H GLU A 71 8.526 11.209 4.052 1.00 0.00 H new ATOM 0 HA GLU A 71 8.128 8.532 3.072 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.881 10.271 2.355 1.00 0.00 H new ATOM 0 HB3 GLU A 71 10.742 9.909 3.838 1.00 0.00 H new ATOM 0 HG2 GLU A 71 11.717 8.479 2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.714 7.433 3.137 1.00 0.00 H new ATOM 1137 N VAL A 72 9.215 8.879 6.138 1.00 0.00 N ATOM 1138 CA VAL A 72 9.501 8.102 7.375 1.00 0.00 C ATOM 1139 C VAL A 72 8.225 7.417 7.839 1.00 0.00 C ATOM 1140 O VAL A 72 8.233 6.266 8.232 1.00 0.00 O ATOM 1141 CB VAL A 72 9.996 9.043 8.467 1.00 0.00 C ATOM 1142 CG1 VAL A 72 10.397 8.231 9.700 1.00 0.00 C ATOM 1143 CG2 VAL A 72 11.205 9.829 7.956 1.00 0.00 C ATOM 0 H VAL A 72 9.183 9.891 6.258 1.00 0.00 H new ATOM 0 HA VAL A 72 10.267 7.355 7.168 1.00 0.00 H new ATOM 0 HB VAL A 72 9.200 9.737 8.735 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.751 8.905 10.480 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.534 7.674 10.065 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.192 7.535 9.434 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.558 10.502 8.737 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.002 9.136 7.686 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.917 10.410 7.080 1.00 0.00 H new ATOM 1153 N HIS A 73 7.118 8.101 7.774 1.00 0.00 N ATOM 1154 CA HIS A 73 5.839 7.466 8.187 1.00 0.00 C ATOM 1155 C HIS A 73 5.662 6.210 7.340 1.00 0.00 C ATOM 1156 O HIS A 73 5.211 5.183 7.805 1.00 0.00 O ATOM 1157 CB HIS A 73 4.675 8.429 7.938 1.00 0.00 C ATOM 1158 CG HIS A 73 4.821 9.633 8.827 1.00 0.00 C ATOM 1159 ND1 HIS A 73 5.435 9.565 10.071 1.00 0.00 N ATOM 1160 CD2 HIS A 73 4.437 10.943 8.669 1.00 0.00 C ATOM 1161 CE1 HIS A 73 5.402 10.800 10.607 1.00 0.00 C ATOM 1162 NE2 HIS A 73 4.806 11.672 9.793 1.00 0.00 N ATOM 0 H HIS A 73 7.044 9.067 7.455 1.00 0.00 H new ATOM 0 HA HIS A 73 5.856 7.218 9.248 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.660 8.736 6.892 1.00 0.00 H new ATOM 0 HB3 HIS A 73 3.727 7.929 8.137 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.927 11.344 7.805 1.00 0.00 H new ATOM 0 HE1 HIS A 73 5.808 11.053 11.575 1.00 0.00 H new ATOM 0 HE2 HIS A 73 4.653 12.666 9.960 1.00 0.00 H new ATOM 1171 N ILE A 74 6.036 6.295 6.094 1.00 0.00 N ATOM 1172 CA ILE A 74 5.915 5.117 5.200 1.00 0.00 C ATOM 1173 C ILE A 74 6.839 4.021 5.724 1.00 0.00 C ATOM 1174 O ILE A 74 6.520 2.851 5.679 1.00 0.00 O ATOM 1175 CB ILE A 74 6.322 5.503 3.770 1.00 0.00 C ATOM 1176 CG1 ILE A 74 5.347 6.573 3.204 1.00 0.00 C ATOM 1177 CG2 ILE A 74 6.330 4.255 2.876 1.00 0.00 C ATOM 1178 CD1 ILE A 74 4.068 5.934 2.626 1.00 0.00 C ATOM 0 H ILE A 74 6.421 7.133 5.658 1.00 0.00 H new ATOM 0 HA ILE A 74 4.884 4.763 5.184 1.00 0.00 H new ATOM 0 HB ILE A 74 7.326 5.928 3.788 1.00 0.00 H new ATOM 0 HG12 ILE A 74 5.078 7.274 3.994 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.850 7.148 2.426 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.619 4.535 1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.042 3.530 3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.334 3.813 2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 74 3.413 6.715 2.241 1.00 0.00 H new ATOM 0 HD12 ILE A 74 4.335 5.253 1.818 1.00 0.00 H new ATOM 0 HD13 ILE A 74 3.551 5.381 3.410 1.00 0.00 H new ATOM 1190 N HIS A 75 7.984 4.391 6.228 1.00 0.00 N ATOM 1191 CA HIS A 75 8.922 3.364 6.757 1.00 0.00 C ATOM 1192 C HIS A 75 8.321 2.724 8.009 1.00 0.00 C ATOM 1193 O HIS A 75 8.519 1.555 8.280 1.00 0.00 O ATOM 1194 CB HIS A 75 10.257 4.024 7.111 1.00 0.00 C ATOM 1195 CG HIS A 75 11.252 2.967 7.507 1.00 0.00 C ATOM 1196 ND1 HIS A 75 11.305 2.116 8.583 1.00 0.00 N flip ATOM 1197 CD2 HIS A 75 12.375 2.685 6.742 1.00 0.00 C flip ATOM 1198 CE1 HIS A 75 12.441 1.321 8.487 1.00 0.00 C flip ATOM 1199 NE2 HIS A 75 13.052 1.701 7.364 1.00 0.00 N flip ATOM 0 H HIS A 75 8.309 5.356 6.296 1.00 0.00 H new ATOM 0 HA HIS A 75 9.087 2.598 6.000 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.632 4.590 6.258 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.119 4.732 7.928 1.00 0.00 H new ATOM 0 HD2 HIS A 75 12.655 3.167 5.817 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.762 0.555 9.178 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.923 1.297 7.019 1.00 0.00 H new ATOM 1208 N ASN A 76 7.588 3.483 8.775 1.00 0.00 N ATOM 1209 CA ASN A 76 6.976 2.920 10.012 1.00 0.00 C ATOM 1210 C ASN A 76 5.850 1.956 9.640 1.00 0.00 C ATOM 1211 O ASN A 76 5.705 0.902 10.227 1.00 0.00 O ATOM 1212 CB ASN A 76 6.410 4.059 10.863 1.00 0.00 C ATOM 1213 CG ASN A 76 5.923 3.502 12.200 1.00 0.00 C ATOM 1214 OD1 ASN A 76 6.552 2.637 12.777 1.00 0.00 O ATOM 1215 ND2 ASN A 76 4.820 3.965 12.723 1.00 0.00 N ATOM 0 H ASN A 76 7.386 4.467 8.599 1.00 0.00 H new ATOM 0 HA ASN A 76 7.737 2.383 10.578 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.175 4.817 11.030 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.588 4.545 10.338 1.00 0.00 H new ATOM 0 HD21 ASN A 76 4.487 3.601 13.615 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.292 4.691 12.239 1.00 0.00 H new ATOM 1222 N LEU A 77 5.049 2.309 8.676 1.00 0.00 N ATOM 1223 CA LEU A 77 3.926 1.411 8.275 1.00 0.00 C ATOM 1224 C LEU A 77 4.476 0.181 7.553 1.00 0.00 C ATOM 1225 O LEU A 77 4.035 -0.925 7.782 1.00 0.00 O ATOM 1226 CB LEU A 77 2.972 2.164 7.342 1.00 0.00 C ATOM 1227 CG LEU A 77 2.436 3.425 8.043 1.00 0.00 C ATOM 1228 CD1 LEU A 77 1.704 4.300 7.019 1.00 0.00 C ATOM 1229 CD2 LEU A 77 1.464 3.042 9.180 1.00 0.00 C ATOM 0 H LEU A 77 5.121 3.178 8.147 1.00 0.00 H new ATOM 0 HA LEU A 77 3.388 1.094 9.168 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.491 2.441 6.424 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.143 1.516 7.056 1.00 0.00 H new ATOM 0 HG LEU A 77 3.275 3.974 8.471 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.323 5.195 7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.395 4.588 6.227 1.00 0.00 H new ATOM 0 HD13 LEU A 77 0.873 3.740 6.590 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.096 3.947 9.664 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.624 2.483 8.768 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.985 2.426 9.912 1.00 0.00 H new ATOM 1241 N ARG A 78 5.435 0.358 6.684 1.00 0.00 N ATOM 1242 CA ARG A 78 6.003 -0.818 5.954 1.00 0.00 C ATOM 1243 C ARG A 78 6.356 -1.918 6.964 1.00 0.00 C ATOM 1244 O ARG A 78 6.072 -3.080 6.754 1.00 0.00 O ATOM 1245 CB ARG A 78 7.264 -0.390 5.184 1.00 0.00 C ATOM 1246 CG ARG A 78 6.866 0.331 3.891 1.00 0.00 C ATOM 1247 CD ARG A 78 8.107 0.957 3.252 1.00 0.00 C ATOM 1248 NE ARG A 78 9.170 -0.079 3.113 1.00 0.00 N ATOM 1249 CZ ARG A 78 10.309 0.225 2.552 1.00 0.00 C ATOM 1250 NH1 ARG A 78 10.519 1.434 2.110 1.00 0.00 N ATOM 1251 NH2 ARG A 78 11.238 -0.684 2.432 1.00 0.00 N ATOM 0 H ARG A 78 5.849 1.260 6.447 1.00 0.00 H new ATOM 0 HA ARG A 78 5.268 -1.199 5.246 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.874 0.267 5.804 1.00 0.00 H new ATOM 0 HB3 ARG A 78 7.873 -1.264 4.951 1.00 0.00 H new ATOM 0 HG2 ARG A 78 6.403 -0.372 3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 78 6.126 1.102 4.105 1.00 0.00 H new ATOM 0 HD2 ARG A 78 7.857 1.370 2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 78 8.467 1.783 3.865 1.00 0.00 H new ATOM 0 HE ARG A 78 9.007 -1.026 3.456 1.00 0.00 H new ATOM 0 HH11 ARG A 78 9.793 2.144 2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 78 11.410 1.669 1.672 1.00 0.00 H new ATOM 0 HH21 ARG A 78 11.073 -1.630 2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 78 12.129 -0.448 1.994 1.00 0.00 H new ATOM 1265 N GLU A 79 6.972 -1.559 8.056 1.00 0.00 N ATOM 1266 CA GLU A 79 7.339 -2.585 9.072 1.00 0.00 C ATOM 1267 C GLU A 79 6.073 -3.245 9.634 1.00 0.00 C ATOM 1268 O GLU A 79 6.105 -4.372 10.087 1.00 0.00 O ATOM 1269 CB GLU A 79 8.110 -1.917 10.214 1.00 0.00 C ATOM 1270 CG GLU A 79 9.485 -1.469 9.715 1.00 0.00 C ATOM 1271 CD GLU A 79 10.313 -0.954 10.894 1.00 0.00 C ATOM 1272 OE1 GLU A 79 10.552 -1.728 11.806 1.00 0.00 O ATOM 1273 OE2 GLU A 79 10.692 0.205 10.867 1.00 0.00 O ATOM 0 H GLU A 79 7.237 -0.602 8.289 1.00 0.00 H new ATOM 0 HA GLU A 79 7.961 -3.346 8.601 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.552 -1.060 10.590 1.00 0.00 H new ATOM 0 HB3 GLU A 79 8.223 -2.613 11.045 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.998 -2.301 9.233 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.374 -0.686 8.965 1.00 0.00 H new ATOM 1280 N LYS A 80 4.962 -2.555 9.623 1.00 0.00 N ATOM 1281 CA LYS A 80 3.710 -3.150 10.175 1.00 0.00 C ATOM 1282 C LYS A 80 3.127 -4.175 9.198 1.00 0.00 C ATOM 1283 O LYS A 80 2.691 -5.239 9.592 1.00 0.00 O ATOM 1284 CB LYS A 80 2.680 -2.044 10.419 1.00 0.00 C ATOM 1285 CG LYS A 80 3.205 -1.084 11.488 1.00 0.00 C ATOM 1286 CD LYS A 80 2.150 -0.016 11.778 1.00 0.00 C ATOM 1287 CE LYS A 80 2.741 1.045 12.706 1.00 0.00 C ATOM 1288 NZ LYS A 80 1.681 2.025 13.077 1.00 0.00 N ATOM 0 H LYS A 80 4.868 -1.608 9.257 1.00 0.00 H new ATOM 0 HA LYS A 80 3.947 -3.650 11.114 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.486 -1.503 9.493 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.733 -2.479 10.739 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.442 -1.633 12.399 1.00 0.00 H new ATOM 0 HG3 LYS A 80 4.129 -0.615 11.149 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.817 0.444 10.847 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.274 -0.471 12.240 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.147 0.575 13.602 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.567 1.556 12.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.082 2.748 13.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.314 2.481 12.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.906 1.531 13.564 1.00 0.00 H new ATOM 1302 N ILE A 81 3.104 -3.866 7.927 1.00 0.00 N ATOM 1303 CA ILE A 81 2.538 -4.821 6.930 1.00 0.00 C ATOM 1304 C ILE A 81 3.592 -5.864 6.565 1.00 0.00 C ATOM 1305 O ILE A 81 3.275 -6.986 6.225 1.00 0.00 O ATOM 1306 CB ILE A 81 2.124 -4.056 5.664 1.00 0.00 C ATOM 1307 CG1 ILE A 81 3.229 -3.070 5.269 1.00 0.00 C ATOM 1308 CG2 ILE A 81 0.828 -3.282 5.924 1.00 0.00 C ATOM 1309 CD1 ILE A 81 2.931 -2.497 3.882 1.00 0.00 C ATOM 0 H ILE A 81 3.454 -2.991 7.537 1.00 0.00 H new ATOM 0 HA ILE A 81 1.667 -5.316 7.360 1.00 0.00 H new ATOM 0 HB ILE A 81 1.966 -4.770 4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.291 -2.265 6.001 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.196 -3.573 5.266 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.540 -2.742 5.022 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.036 -3.979 6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.984 -2.573 6.737 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.717 -1.796 3.601 1.00 0.00 H new ATOM 0 HD12 ILE A 81 2.891 -3.308 3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.972 -1.979 3.901 1.00 0.00 H new ATOM 1321 N GLY A 82 4.844 -5.495 6.612 1.00 0.00 N ATOM 1322 CA GLY A 82 5.932 -6.450 6.246 1.00 0.00 C ATOM 1323 C GLY A 82 6.336 -6.194 4.797 1.00 0.00 C ATOM 1324 O GLY A 82 5.853 -6.826 3.883 1.00 0.00 O ATOM 0 H GLY A 82 5.163 -4.567 6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.789 -6.319 6.907 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.590 -7.478 6.368 1.00 0.00 H new ATOM 1328 N LYS A 83 7.216 -5.255 4.587 1.00 0.00 N ATOM 1329 CA LYS A 83 7.671 -4.920 3.203 1.00 0.00 C ATOM 1330 C LYS A 83 7.955 -6.201 2.409 1.00 0.00 C ATOM 1331 O LYS A 83 8.039 -6.184 1.197 1.00 0.00 O ATOM 1332 CB LYS A 83 8.950 -4.082 3.280 1.00 0.00 C ATOM 1333 CG LYS A 83 9.969 -4.785 4.181 1.00 0.00 C ATOM 1334 CD LYS A 83 11.270 -3.981 4.204 1.00 0.00 C ATOM 1335 CE LYS A 83 12.309 -4.714 5.057 1.00 0.00 C ATOM 1336 NZ LYS A 83 12.740 -5.955 4.356 1.00 0.00 N ATOM 0 H LYS A 83 7.647 -4.696 5.324 1.00 0.00 H new ATOM 0 HA LYS A 83 6.885 -4.358 2.700 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.366 -3.942 2.282 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.725 -3.091 3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.571 -4.882 5.191 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.159 -5.794 3.815 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.646 -3.848 3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.088 -2.986 4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.168 -4.068 5.237 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.887 -4.962 6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.638 -6.289 4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.013 -6.690 4.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.871 -5.755 3.344 1.00 0.00 H new ATOM 1350 N SER A 84 8.099 -7.312 3.079 1.00 0.00 N ATOM 1351 CA SER A 84 8.371 -8.589 2.361 1.00 0.00 C ATOM 1352 C SER A 84 7.328 -8.783 1.256 1.00 0.00 C ATOM 1353 O SER A 84 7.652 -9.140 0.141 1.00 0.00 O ATOM 1354 CB SER A 84 8.294 -9.755 3.346 1.00 0.00 C ATOM 1355 OG SER A 84 9.270 -9.574 4.365 1.00 0.00 O ATOM 0 H SER A 84 8.040 -7.390 4.094 1.00 0.00 H new ATOM 0 HA SER A 84 9.367 -8.554 1.920 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.298 -9.810 3.786 1.00 0.00 H new ATOM 0 HB3 SER A 84 8.465 -10.698 2.826 1.00 0.00 H new ATOM 0 HG SER A 84 9.222 -10.319 5.000 1.00 0.00 H new ATOM 1361 N ARG A 85 6.078 -8.547 1.557 1.00 0.00 N ATOM 1362 CA ARG A 85 5.021 -8.718 0.515 1.00 0.00 C ATOM 1363 C ARG A 85 5.101 -7.562 -0.489 1.00 0.00 C ATOM 1364 O ARG A 85 4.238 -7.405 -1.329 1.00 0.00 O ATOM 1365 CB ARG A 85 3.633 -8.726 1.182 1.00 0.00 C ATOM 1366 CG ARG A 85 3.590 -7.687 2.323 1.00 0.00 C ATOM 1367 CD ARG A 85 2.142 -7.267 2.602 1.00 0.00 C ATOM 1368 NE ARG A 85 1.653 -6.400 1.494 1.00 0.00 N ATOM 1369 CZ ARG A 85 0.517 -5.767 1.613 1.00 0.00 C ATOM 1370 NH1 ARG A 85 -0.188 -5.891 2.705 1.00 0.00 N ATOM 1371 NH2 ARG A 85 0.087 -5.010 0.642 1.00 0.00 N ATOM 0 H ARG A 85 5.744 -8.245 2.472 1.00 0.00 H new ATOM 0 HA ARG A 85 5.176 -9.663 -0.006 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.864 -8.499 0.443 1.00 0.00 H new ATOM 0 HB3 ARG A 85 3.415 -9.719 1.575 1.00 0.00 H new ATOM 0 HG2 ARG A 85 4.035 -8.108 3.225 1.00 0.00 H new ATOM 0 HG3 ARG A 85 4.184 -6.814 2.052 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.508 -8.149 2.695 1.00 0.00 H new ATOM 0 HD3 ARG A 85 2.084 -6.732 3.550 1.00 0.00 H new ATOM 0 HE ARG A 85 2.205 -6.301 0.642 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.149 -6.482 3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.075 -5.397 2.798 1.00 0.00 H new ATOM 0 HH21 ARG A 85 0.638 -4.912 -0.211 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.800 -4.516 0.735 1.00 0.00 H new ATOM 1385 N ILE A 86 6.128 -6.748 -0.406 1.00 0.00 N ATOM 1386 CA ILE A 86 6.273 -5.590 -1.352 1.00 0.00 C ATOM 1387 C ILE A 86 7.728 -5.509 -1.829 1.00 0.00 C ATOM 1388 O ILE A 86 8.626 -6.037 -1.204 1.00 0.00 O ATOM 1389 CB ILE A 86 5.899 -4.284 -0.630 1.00 0.00 C ATOM 1390 CG1 ILE A 86 4.409 -4.309 -0.257 1.00 0.00 C ATOM 1391 CG2 ILE A 86 6.171 -3.086 -1.552 1.00 0.00 C ATOM 1392 CD1 ILE A 86 4.094 -3.146 0.688 1.00 0.00 C ATOM 0 H ILE A 86 6.877 -6.836 0.280 1.00 0.00 H new ATOM 0 HA ILE A 86 5.612 -5.732 -2.207 1.00 0.00 H new ATOM 0 HB ILE A 86 6.500 -4.191 0.274 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.798 -4.235 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.160 -5.256 0.221 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.905 -2.163 -1.037 1.00 0.00 H new ATOM 0 HG22 ILE A 86 7.228 -3.063 -1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 86 5.573 -3.181 -2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.036 -3.167 0.951 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.694 -3.240 1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.327 -2.203 0.194 1.00 0.00 H new ATOM 1404 N ARG A 87 7.960 -4.847 -2.937 1.00 0.00 N ATOM 1405 CA ARG A 87 9.349 -4.714 -3.485 1.00 0.00 C ATOM 1406 C ARG A 87 9.567 -3.278 -3.965 1.00 0.00 C ATOM 1407 O ARG A 87 8.824 -2.766 -4.779 1.00 0.00 O ATOM 1408 CB ARG A 87 9.520 -5.675 -4.663 1.00 0.00 C ATOM 1409 CG ARG A 87 10.945 -5.565 -5.210 1.00 0.00 C ATOM 1410 CD ARG A 87 11.189 -6.682 -6.226 1.00 0.00 C ATOM 1411 NE ARG A 87 10.050 -6.739 -7.185 1.00 0.00 N ATOM 1412 CZ ARG A 87 10.089 -7.560 -8.200 1.00 0.00 C ATOM 1413 NH1 ARG A 87 11.127 -8.331 -8.375 1.00 0.00 N ATOM 1414 NH2 ARG A 87 9.091 -7.609 -9.038 1.00 0.00 N ATOM 0 H ARG A 87 7.238 -4.387 -3.492 1.00 0.00 H new ATOM 0 HA ARG A 87 10.076 -4.954 -2.709 1.00 0.00 H new ATOM 0 HB2 ARG A 87 9.320 -6.698 -4.344 1.00 0.00 H new ATOM 0 HB3 ARG A 87 8.799 -5.439 -5.446 1.00 0.00 H new ATOM 0 HG2 ARG A 87 11.091 -4.593 -5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.665 -5.636 -4.395 1.00 0.00 H new ATOM 0 HD2 ARG A 87 12.121 -6.503 -6.762 1.00 0.00 H new ATOM 0 HD3 ARG A 87 11.295 -7.638 -5.713 1.00 0.00 H new ATOM 0 HE ARG A 87 9.239 -6.136 -7.049 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.907 -8.292 -7.719 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.158 -8.972 -9.167 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.280 -7.006 -8.901 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.122 -8.250 -9.831 1.00 0.00 H new ATOM 1428 N THR A 88 10.582 -2.618 -3.465 1.00 0.00 N ATOM 1429 CA THR A 88 10.852 -1.206 -3.886 1.00 0.00 C ATOM 1430 C THR A 88 11.762 -1.208 -5.119 1.00 0.00 C ATOM 1431 O THR A 88 12.656 -2.022 -5.241 1.00 0.00 O ATOM 1432 CB THR A 88 11.543 -0.447 -2.737 1.00 0.00 C ATOM 1433 OG1 THR A 88 12.952 -0.609 -2.842 1.00 0.00 O ATOM 1434 CG2 THR A 88 11.070 -0.994 -1.387 1.00 0.00 C ATOM 0 H THR A 88 11.238 -2.996 -2.781 1.00 0.00 H new ATOM 0 HA THR A 88 9.911 -0.713 -4.129 1.00 0.00 H new ATOM 0 HB THR A 88 11.287 0.610 -2.805 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.392 -0.125 -2.112 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.564 -0.451 -0.581 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.991 -0.868 -1.301 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.318 -2.053 -1.316 1.00 0.00 H new ATOM 1442 N VAL A 89 11.521 -0.312 -6.045 1.00 0.00 N ATOM 1443 CA VAL A 89 12.345 -0.259 -7.298 1.00 0.00 C ATOM 1444 C VAL A 89 13.391 0.857 -7.202 1.00 0.00 C ATOM 1445 O VAL A 89 13.079 2.028 -7.297 1.00 0.00 O ATOM 1446 CB VAL A 89 11.421 0.025 -8.485 1.00 0.00 C ATOM 1447 CG1 VAL A 89 12.230 -0.001 -9.783 1.00 0.00 C ATOM 1448 CG2 VAL A 89 10.328 -1.044 -8.545 1.00 0.00 C ATOM 0 H VAL A 89 10.784 0.391 -5.988 1.00 0.00 H new ATOM 0 HA VAL A 89 12.856 -1.213 -7.431 1.00 0.00 H new ATOM 0 HB VAL A 89 10.965 1.008 -8.363 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.570 0.201 -10.627 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.010 0.760 -9.741 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.687 -0.983 -9.907 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.669 -0.843 -9.390 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.786 -2.026 -8.667 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.750 -1.025 -7.621 1.00 0.00 H new ATOM 1458 N ARG A 90 14.635 0.493 -7.028 1.00 0.00 N ATOM 1459 CA ARG A 90 15.724 1.513 -6.941 1.00 0.00 C ATOM 1460 C ARG A 90 15.333 2.619 -5.951 1.00 0.00 C ATOM 1461 O ARG A 90 15.623 3.780 -6.159 1.00 0.00 O ATOM 1462 CB ARG A 90 15.959 2.122 -8.335 1.00 0.00 C ATOM 1463 CG ARG A 90 16.761 1.145 -9.210 1.00 0.00 C ATOM 1464 CD ARG A 90 16.073 -0.225 -9.246 1.00 0.00 C ATOM 1465 NE ARG A 90 16.605 -1.016 -10.392 1.00 0.00 N ATOM 1466 CZ ARG A 90 17.824 -1.483 -10.353 1.00 0.00 C ATOM 1467 NH1 ARG A 90 18.580 -1.254 -9.315 1.00 0.00 N ATOM 1468 NH2 ARG A 90 18.287 -2.178 -11.356 1.00 0.00 N ATOM 0 H ARG A 90 14.946 -0.475 -6.942 1.00 0.00 H new ATOM 0 HA ARG A 90 16.639 1.035 -6.590 1.00 0.00 H new ATOM 0 HB2 ARG A 90 15.003 2.346 -8.809 1.00 0.00 H new ATOM 0 HB3 ARG A 90 16.497 3.065 -8.242 1.00 0.00 H new ATOM 0 HG2 ARG A 90 16.850 1.541 -10.221 1.00 0.00 H new ATOM 0 HG3 ARG A 90 17.773 1.041 -8.818 1.00 0.00 H new ATOM 0 HD2 ARG A 90 16.248 -0.757 -8.311 1.00 0.00 H new ATOM 0 HD3 ARG A 90 14.995 -0.100 -9.345 1.00 0.00 H new ATOM 0 HE ARG A 90 16.017 -1.193 -11.207 1.00 0.00 H new ATOM 0 HH11 ARG A 90 18.219 -0.709 -8.532 1.00 0.00 H new ATOM 0 HH12 ARG A 90 19.532 -1.620 -9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 90 17.697 -2.356 -12.169 1.00 0.00 H new ATOM 0 HH22 ARG A 90 19.239 -2.543 -11.327 1.00 0.00 H new ATOM 1482 N GLY A 91 14.684 2.268 -4.873 1.00 0.00 N ATOM 1483 CA GLY A 91 14.285 3.304 -3.872 1.00 0.00 C ATOM 1484 C GLY A 91 13.608 4.480 -4.579 1.00 0.00 C ATOM 1485 O GLY A 91 13.985 5.622 -4.402 1.00 0.00 O ATOM 0 H GLY A 91 14.413 1.312 -4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 91 13.606 2.870 -3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 91 15.162 3.653 -3.327 1.00 0.00 H new ATOM 1489 N PHE A 92 12.609 4.202 -5.383 1.00 0.00 N ATOM 1490 CA PHE A 92 11.880 5.277 -6.122 1.00 0.00 C ATOM 1491 C PHE A 92 10.376 5.050 -5.956 1.00 0.00 C ATOM 1492 O PHE A 92 9.737 5.658 -5.122 1.00 0.00 O ATOM 1493 CB PHE A 92 12.269 5.216 -7.611 1.00 0.00 C ATOM 1494 CG PHE A 92 11.296 6.028 -8.448 1.00 0.00 C ATOM 1495 CD1 PHE A 92 11.397 7.424 -8.486 1.00 0.00 C ATOM 1496 CD2 PHE A 92 10.286 5.381 -9.176 1.00 0.00 C ATOM 1497 CE1 PHE A 92 10.494 8.172 -9.252 1.00 0.00 C ATOM 1498 CE2 PHE A 92 9.384 6.129 -9.940 1.00 0.00 C ATOM 1499 CZ PHE A 92 9.487 7.524 -9.978 1.00 0.00 C ATOM 0 H PHE A 92 12.264 3.259 -5.560 1.00 0.00 H new ATOM 0 HA PHE A 92 12.143 6.259 -5.728 1.00 0.00 H new ATOM 0 HB2 PHE A 92 13.281 5.599 -7.745 1.00 0.00 H new ATOM 0 HB3 PHE A 92 12.273 4.180 -7.950 1.00 0.00 H new ATOM 0 HD1 PHE A 92 12.172 7.924 -7.924 1.00 0.00 H new ATOM 0 HD2 PHE A 92 10.205 4.304 -9.146 1.00 0.00 H new ATOM 0 HE1 PHE A 92 10.574 9.249 -9.283 1.00 0.00 H new ATOM 0 HE2 PHE A 92 8.608 5.630 -10.501 1.00 0.00 H new ATOM 0 HZ PHE A 92 8.790 8.101 -10.567 1.00 0.00 H new ATOM 1509 N GLY A 93 9.808 4.175 -6.745 1.00 0.00 N ATOM 1510 CA GLY A 93 8.342 3.896 -6.645 1.00 0.00 C ATOM 1511 C GLY A 93 8.123 2.627 -5.822 1.00 0.00 C ATOM 1512 O GLY A 93 8.876 2.321 -4.917 1.00 0.00 O ATOM 0 H GLY A 93 10.299 3.638 -7.459 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.831 4.738 -6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.915 3.776 -7.640 1.00 0.00 H new ATOM 1516 N TYR A 94 7.099 1.881 -6.135 1.00 0.00 N ATOM 1517 CA TYR A 94 6.817 0.619 -5.387 1.00 0.00 C ATOM 1518 C TYR A 94 6.112 -0.352 -6.329 1.00 0.00 C ATOM 1519 O TYR A 94 5.589 0.035 -7.354 1.00 0.00 O ATOM 1520 CB TYR A 94 5.917 0.927 -4.178 1.00 0.00 C ATOM 1521 CG TYR A 94 6.761 1.419 -3.025 1.00 0.00 C ATOM 1522 CD1 TYR A 94 7.052 2.779 -2.902 1.00 0.00 C ATOM 1523 CD2 TYR A 94 7.255 0.508 -2.084 1.00 0.00 C ATOM 1524 CE1 TYR A 94 7.835 3.232 -1.836 1.00 0.00 C ATOM 1525 CE2 TYR A 94 8.037 0.958 -1.019 1.00 0.00 C ATOM 1526 CZ TYR A 94 8.329 2.322 -0.893 1.00 0.00 C ATOM 1527 OH TYR A 94 9.102 2.769 0.159 1.00 0.00 O ATOM 0 H TYR A 94 6.439 2.092 -6.883 1.00 0.00 H new ATOM 0 HA TYR A 94 7.746 0.177 -5.027 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.177 1.681 -4.447 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.369 0.032 -3.884 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.672 3.481 -3.630 1.00 0.00 H new ATOM 0 HD2 TYR A 94 7.031 -0.544 -2.182 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.059 4.284 -1.740 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.417 0.255 -0.293 1.00 0.00 H new ATOM 0 HH TYR A 94 8.838 3.683 0.393 1.00 0.00 H new ATOM 1537 N MET A 95 6.093 -1.611 -5.996 1.00 0.00 N ATOM 1538 CA MET A 95 5.420 -2.596 -6.892 1.00 0.00 C ATOM 1539 C MET A 95 5.156 -3.903 -6.149 1.00 0.00 C ATOM 1540 O MET A 95 6.001 -4.418 -5.444 1.00 0.00 O ATOM 1541 CB MET A 95 6.316 -2.880 -8.098 1.00 0.00 C ATOM 1542 CG MET A 95 5.598 -3.833 -9.056 1.00 0.00 C ATOM 1543 SD MET A 95 6.527 -3.944 -10.606 1.00 0.00 S ATOM 1544 CE MET A 95 7.631 -5.294 -10.123 1.00 0.00 C ATOM 0 H MET A 95 6.510 -2.000 -5.150 1.00 0.00 H new ATOM 0 HA MET A 95 4.469 -2.176 -7.220 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.560 -1.949 -8.610 1.00 0.00 H new ATOM 0 HB3 MET A 95 7.258 -3.320 -7.769 1.00 0.00 H new ATOM 0 HG2 MET A 95 5.506 -4.820 -8.603 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.587 -3.476 -9.251 1.00 0.00 H new ATOM 0 HE1 MET A 95 8.507 -5.297 -10.771 1.00 0.00 H new ATOM 0 HE2 MET A 95 7.945 -5.155 -9.089 1.00 0.00 H new ATOM 0 HE3 MET A 95 7.106 -6.245 -10.218 1.00 0.00 H new ATOM 1554 N LEU A 96 3.981 -4.449 -6.323 1.00 0.00 N ATOM 1555 CA LEU A 96 3.629 -5.741 -5.654 1.00 0.00 C ATOM 1556 C LEU A 96 3.989 -6.897 -6.595 1.00 0.00 C ATOM 1557 O LEU A 96 3.589 -6.925 -7.741 1.00 0.00 O ATOM 1558 CB LEU A 96 2.115 -5.754 -5.356 1.00 0.00 C ATOM 1559 CG LEU A 96 1.829 -5.059 -4.018 1.00 0.00 C ATOM 1560 CD1 LEU A 96 2.445 -3.657 -4.012 1.00 0.00 C ATOM 1561 CD2 LEU A 96 0.315 -4.948 -3.823 1.00 0.00 C ATOM 0 H LEU A 96 3.242 -4.053 -6.905 1.00 0.00 H new ATOM 0 HA LEU A 96 4.180 -5.850 -4.720 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.575 -5.250 -6.158 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.753 -6.781 -5.325 1.00 0.00 H new ATOM 0 HG LEU A 96 2.267 -5.644 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.237 -3.172 -3.058 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.523 -3.733 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.014 -3.067 -4.821 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.106 -4.455 -2.874 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.115 -4.365 -4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.125 -5.945 -3.819 1.00 0.00 H new ATOM 1573 N ALA A 97 4.743 -7.849 -6.116 1.00 0.00 N ATOM 1574 CA ALA A 97 5.129 -8.999 -6.980 1.00 0.00 C ATOM 1575 C ALA A 97 3.909 -9.894 -7.211 1.00 0.00 C ATOM 1576 O ALA A 97 3.551 -10.701 -6.376 1.00 0.00 O ATOM 1577 CB ALA A 97 6.231 -9.806 -6.292 1.00 0.00 C ATOM 0 H ALA A 97 5.108 -7.879 -5.164 1.00 0.00 H new ATOM 0 HA ALA A 97 5.495 -8.628 -7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 97 6.514 -10.648 -6.924 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.099 -9.168 -6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.866 -10.178 -5.335 1.00 0.00 H new ATOM 1583 N ASN A 98 3.270 -9.757 -8.339 1.00 0.00 N ATOM 1584 CA ASN A 98 2.073 -10.599 -8.626 1.00 0.00 C ATOM 1585 C ASN A 98 2.435 -12.076 -8.461 1.00 0.00 C ATOM 1586 O ASN A 98 3.270 -12.602 -9.171 1.00 0.00 O ATOM 1587 CB ASN A 98 1.603 -10.345 -10.060 1.00 0.00 C ATOM 1588 CG ASN A 98 1.410 -8.843 -10.278 1.00 0.00 C ATOM 1589 OD1 ASN A 98 1.443 -8.073 -9.338 1.00 0.00 O ATOM 1590 ND2 ASN A 98 1.211 -8.392 -11.486 1.00 0.00 N ATOM 0 H ASN A 98 3.524 -9.099 -9.075 1.00 0.00 H new ATOM 0 HA ASN A 98 1.274 -10.342 -7.931 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.335 -10.734 -10.768 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.668 -10.873 -10.246 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.083 -7.392 -11.642 1.00 0.00 H new ATOM 0 HD22 ASN A 98 1.184 -9.039 -12.274 1.00 0.00 H new ATOM 1597 N ASN A 99 1.813 -12.749 -7.532 1.00 0.00 N ATOM 1598 CA ASN A 99 2.120 -14.193 -7.324 1.00 0.00 C ATOM 1599 C ASN A 99 3.629 -14.375 -7.135 1.00 0.00 C ATOM 1600 O ASN A 99 4.379 -14.441 -8.089 1.00 0.00 O ATOM 1601 CB ASN A 99 1.657 -14.995 -8.543 1.00 0.00 C ATOM 1602 CG ASN A 99 0.215 -14.620 -8.883 1.00 0.00 C ATOM 1603 OD1 ASN A 99 -0.041 -13.992 -9.892 1.00 0.00 O ATOM 1604 ND2 ASN A 99 -0.748 -14.981 -8.079 1.00 0.00 N ATOM 0 H ASN A 99 1.105 -12.362 -6.908 1.00 0.00 H new ATOM 0 HA ASN A 99 1.599 -14.549 -6.436 1.00 0.00 H new ATOM 0 HB2 ASN A 99 2.307 -14.791 -9.394 1.00 0.00 H new ATOM 0 HB3 ASN A 99 1.727 -16.063 -8.337 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -1.714 -14.736 -8.298 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -0.535 -15.508 -7.232 1.00 0.00 H new ATOM 1611 N ILE A 100 4.079 -14.459 -5.913 1.00 0.00 N ATOM 1612 CA ILE A 100 5.539 -14.638 -5.667 1.00 0.00 C ATOM 1613 C ILE A 100 5.931 -16.060 -6.053 1.00 0.00 C ATOM 1614 O ILE A 100 7.092 -16.399 -6.157 1.00 0.00 O ATOM 1615 CB ILE A 100 5.851 -14.402 -4.182 1.00 0.00 C ATOM 1616 CG1 ILE A 100 5.266 -13.053 -3.742 1.00 0.00 C ATOM 1617 CG2 ILE A 100 7.370 -14.396 -3.974 1.00 0.00 C ATOM 1618 CD1 ILE A 100 5.378 -12.911 -2.222 1.00 0.00 C ATOM 0 H ILE A 100 3.500 -14.412 -5.075 1.00 0.00 H new ATOM 0 HA ILE A 100 6.103 -13.921 -6.264 1.00 0.00 H new ATOM 0 HB ILE A 100 5.407 -15.199 -3.586 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.798 -12.238 -4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.222 -12.982 -4.047 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.592 -14.229 -2.920 1.00 0.00 H new ATOM 0 HG22 ILE A 100 7.783 -15.356 -4.284 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.816 -13.599 -4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.961 -11.952 -1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 100 4.826 -13.718 -1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.426 -12.962 -1.928 1.00 0.00 H new ATOM 1630 N ASP A 101 4.957 -16.888 -6.271 1.00 0.00 N ATOM 1631 CA ASP A 101 5.241 -18.299 -6.657 1.00 0.00 C ATOM 1632 C ASP A 101 3.929 -19.005 -7.008 1.00 0.00 C ATOM 1633 O ASP A 101 3.910 -19.971 -7.745 1.00 0.00 O ATOM 1634 CB ASP A 101 5.910 -19.023 -5.487 1.00 0.00 C ATOM 1635 CG ASP A 101 5.091 -18.803 -4.213 1.00 0.00 C ATOM 1636 OD1 ASP A 101 4.108 -19.503 -4.036 1.00 0.00 O ATOM 1637 OD2 ASP A 101 5.462 -17.938 -3.438 1.00 0.00 O ATOM 0 H ASP A 101 3.968 -16.651 -6.199 1.00 0.00 H new ATOM 0 HA ASP A 101 5.905 -18.313 -7.521 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.988 -20.089 -5.702 1.00 0.00 H new ATOM 0 HB3 ASP A 101 6.925 -18.651 -5.348 1.00 0.00 H new ATOM 1642 N THR A 102 2.831 -18.529 -6.485 1.00 0.00 N ATOM 1643 CA THR A 102 1.522 -19.173 -6.788 1.00 0.00 C ATOM 1644 C THR A 102 1.274 -19.144 -8.297 1.00 0.00 C ATOM 1645 O THR A 102 2.017 -18.539 -9.046 1.00 0.00 O ATOM 1646 CB THR A 102 0.403 -18.413 -6.071 1.00 0.00 C ATOM 1647 OG1 THR A 102 0.424 -17.051 -6.478 1.00 0.00 O ATOM 1648 CG2 THR A 102 0.613 -18.499 -4.559 1.00 0.00 C ATOM 0 H THR A 102 2.785 -17.723 -5.862 1.00 0.00 H new ATOM 0 HA THR A 102 1.538 -20.207 -6.444 1.00 0.00 H new ATOM 0 HB THR A 102 -0.560 -18.855 -6.327 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.123 -16.484 -5.738 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.184 -17.958 -4.050 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.598 -19.544 -4.248 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.575 -18.057 -4.300 1.00 0.00 H new ATOM 1656 N GLU A 103 0.236 -19.792 -8.750 1.00 0.00 N ATOM 1657 CA GLU A 103 -0.058 -19.800 -10.211 1.00 0.00 C ATOM 1658 C GLU A 103 -0.215 -18.362 -10.707 1.00 0.00 C ATOM 1659 O GLU A 103 0.705 -17.871 -11.342 1.00 0.00 O ATOM 1660 CB GLU A 103 -1.356 -20.572 -10.464 1.00 0.00 C ATOM 1661 CG GLU A 103 -1.596 -20.688 -11.971 1.00 0.00 C ATOM 1662 CD GLU A 103 -2.810 -21.583 -12.226 1.00 0.00 C ATOM 1663 OE1 GLU A 103 -3.113 -22.395 -11.368 1.00 0.00 O ATOM 1664 OE2 GLU A 103 -3.415 -21.442 -13.276 1.00 0.00 O ATOM 1665 OXT GLU A 103 -1.252 -17.775 -10.446 1.00 0.00 O ATOM 0 H GLU A 103 -0.421 -20.316 -8.172 1.00 0.00 H new ATOM 0 HA GLU A 103 0.762 -20.281 -10.745 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -1.294 -21.564 -10.017 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -2.194 -20.061 -9.990 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -1.762 -19.700 -12.401 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -0.715 -21.104 -12.460 1.00 0.00 H new TER 1672 GLU A 103