USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=19 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 98 ASN : amide:sc= -0.658 K(o=-2.2,f=-5.2!) USER MOD Set 1.2: A 99 ASN : amide:sc= -1.5 K(o=-2.2,f=-1.5) USER MOD Set 2.1: A 56 ASN : amide:sc= -4.6! C(o=-4.2!,f=-3!) USER MOD Set 2.2: A 60 SER OG : rot 63:sc= 0.387 USER MOD Single : A 1 ASN : amide:sc= 0.118 K(o=0.12,f=-2.8!) USER MOD Single : A 1 ASN N :NH3+ -175:sc= 0.472 (180deg=0.243) USER MOD Single : A 2 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 5 ASN : amide:sc= -10.6! C(o=-11!,f=-3.4!) USER MOD Single : A 8 SER OG : rot 180:sc=-0.00443 USER MOD Single : A 11 ASN : amide:sc= -1.39 K(o=-1.4,f=-7.3!) USER MOD Single : A 15 ASN : amide:sc= -2.03 K(o=-2,f=-8.5!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -62:sc= 0.52 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -158:sc= -0.0663 (180deg=-0.506) USER MOD Single : A 35 TYR OH : rot -155:sc= -3.99! USER MOD Single : A 39 SER OG : rot 100:sc= 0.512 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 159:sc= -0.0236 (180deg=-0.384) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-2.4!) USER MOD Single : A 55 TYR OH : rot 32:sc= -0.758 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -2.11! C(o=-2.1!,f=-5.9!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc=-0.00629 K(o=-0.0063,f=-1.4!) USER MOD Single : A 69 THR OG1 : rot -15:sc= 0.443 USER MOD Single : A 73 HIS : no HD1:sc= -0.927 K(o=-0.93,f=-2.1!) USER MOD Single : A 75 HIS : no HD1:sc= -0.239 X(o=-0.24,f=-0.39) USER MOD Single : A 76 ASN : amide:sc=-0.00633 K(o=-0.0063,f=-1.7!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc=-0.000825 (180deg=-0.000825) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc=-0.00905 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 73:sc= 0.641 USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -18.571 -0.078 -5.408 1.00 0.00 N ATOM 2 CA ASN A 1 -19.255 1.188 -5.020 1.00 0.00 C ATOM 3 C ASN A 1 -20.735 0.907 -4.752 1.00 0.00 C ATOM 4 O ASN A 1 -21.372 1.582 -3.968 1.00 0.00 O ATOM 5 CB ASN A 1 -19.128 2.206 -6.156 1.00 0.00 C ATOM 6 CG ASN A 1 -17.655 2.567 -6.357 1.00 0.00 C ATOM 7 OD1 ASN A 1 -16.803 2.130 -5.608 1.00 0.00 O ATOM 8 ND2 ASN A 1 -17.316 3.352 -7.343 1.00 0.00 N ATOM 0 H1 ASN A 1 -17.550 0.095 -5.508 1.00 0.00 H new ATOM 0 H2 ASN A 1 -18.730 -0.797 -4.674 1.00 0.00 H new ATOM 0 H3 ASN A 1 -18.955 -0.416 -6.313 1.00 0.00 H new ATOM 0 HA ASN A 1 -18.792 1.589 -4.119 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -19.541 1.793 -7.076 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -19.704 3.101 -5.922 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -16.336 3.599 -7.485 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -18.031 3.719 -7.972 1.00 0.00 H new ATOM 17 N GLN A 2 -21.285 -0.086 -5.396 1.00 0.00 N ATOM 18 CA GLN A 2 -22.723 -0.411 -5.177 1.00 0.00 C ATOM 19 C GLN A 2 -22.891 -1.088 -3.815 1.00 0.00 C ATOM 20 O GLN A 2 -23.445 -2.164 -3.710 1.00 0.00 O ATOM 21 CB GLN A 2 -23.205 -1.357 -6.279 1.00 0.00 C ATOM 22 CG GLN A 2 -22.978 -0.709 -7.645 1.00 0.00 C ATOM 23 CD GLN A 2 -23.298 -1.716 -8.749 1.00 0.00 C ATOM 24 OE1 GLN A 2 -23.715 -2.825 -8.474 1.00 0.00 O ATOM 25 NE2 GLN A 2 -23.120 -1.378 -9.996 1.00 0.00 N ATOM 0 H GLN A 2 -20.801 -0.686 -6.064 1.00 0.00 H new ATOM 0 HA GLN A 2 -23.311 0.506 -5.202 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -22.668 -2.304 -6.220 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -24.263 -1.582 -6.143 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -23.609 0.174 -7.750 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -21.944 -0.374 -7.733 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -22.770 -0.448 -10.227 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -23.330 -2.043 -10.740 1.00 0.00 H new ATOM 34 N GLY A 3 -22.416 -0.467 -2.770 1.00 0.00 N ATOM 35 CA GLY A 3 -22.548 -1.076 -1.418 1.00 0.00 C ATOM 36 C GLY A 3 -21.617 -2.285 -1.310 1.00 0.00 C ATOM 37 O GLY A 3 -21.770 -3.123 -0.443 1.00 0.00 O ATOM 0 H GLY A 3 -21.942 0.436 -2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -22.299 -0.342 -0.651 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -23.580 -1.381 -1.244 1.00 0.00 H new ATOM 41 N ASP A 4 -20.652 -2.381 -2.183 1.00 0.00 N ATOM 42 CA ASP A 4 -19.713 -3.536 -2.128 1.00 0.00 C ATOM 43 C ASP A 4 -18.513 -3.263 -3.039 1.00 0.00 C ATOM 44 O ASP A 4 -18.654 -2.758 -4.135 1.00 0.00 O ATOM 45 CB ASP A 4 -20.433 -4.801 -2.598 1.00 0.00 C ATOM 46 CG ASP A 4 -19.500 -6.004 -2.456 1.00 0.00 C ATOM 47 OD1 ASP A 4 -19.444 -6.564 -1.374 1.00 0.00 O ATOM 48 OD2 ASP A 4 -18.855 -6.347 -3.434 1.00 0.00 O ATOM 0 H ASP A 4 -20.474 -1.711 -2.931 1.00 0.00 H new ATOM 0 HA ASP A 4 -19.367 -3.674 -1.104 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -21.337 -4.957 -2.009 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -20.744 -4.690 -3.637 1.00 0.00 H new ATOM 53 N ASN A 5 -17.333 -3.595 -2.593 1.00 0.00 N ATOM 54 CA ASN A 5 -16.123 -3.356 -3.429 1.00 0.00 C ATOM 55 C ASN A 5 -14.915 -4.031 -2.772 1.00 0.00 C ATOM 56 O ASN A 5 -14.605 -3.787 -1.620 1.00 0.00 O ATOM 57 CB ASN A 5 -15.879 -1.847 -3.549 1.00 0.00 C ATOM 58 CG ASN A 5 -16.058 -1.191 -2.179 1.00 0.00 C ATOM 59 OD1 ASN A 5 -16.112 0.018 -2.075 1.00 0.00 O ATOM 60 ND2 ASN A 5 -16.152 -1.942 -1.116 1.00 0.00 N ATOM 0 H ASN A 5 -17.154 -4.022 -1.684 1.00 0.00 H new ATOM 0 HA ASN A 5 -16.271 -3.774 -4.425 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -14.873 -1.659 -3.925 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -16.574 -1.411 -4.266 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -16.271 -1.514 -0.198 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -16.107 -2.957 -1.203 1.00 0.00 H new ATOM 67 N GLU A 6 -14.233 -4.882 -3.496 1.00 0.00 N ATOM 68 CA GLU A 6 -13.050 -5.582 -2.915 1.00 0.00 C ATOM 69 C GLU A 6 -12.162 -6.123 -4.040 1.00 0.00 C ATOM 70 O GLU A 6 -12.613 -6.363 -5.142 1.00 0.00 O ATOM 71 CB GLU A 6 -13.528 -6.748 -2.038 1.00 0.00 C ATOM 72 CG GLU A 6 -14.538 -7.614 -2.808 1.00 0.00 C ATOM 73 CD GLU A 6 -15.898 -6.910 -2.862 1.00 0.00 C ATOM 74 OE1 GLU A 6 -16.462 -6.673 -1.807 1.00 0.00 O ATOM 75 OE2 GLU A 6 -16.350 -6.623 -3.958 1.00 0.00 O ATOM 0 H GLU A 6 -14.445 -5.122 -4.464 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.477 -4.879 -2.311 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.676 -7.355 -1.732 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.988 -6.363 -1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.175 -7.799 -3.819 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.641 -8.585 -2.324 1.00 0.00 H new ATOM 82 N ILE A 7 -10.897 -6.323 -3.763 1.00 0.00 N ATOM 83 CA ILE A 7 -9.961 -6.858 -4.801 1.00 0.00 C ATOM 84 C ILE A 7 -8.901 -7.726 -4.117 1.00 0.00 C ATOM 85 O ILE A 7 -8.714 -7.660 -2.919 1.00 0.00 O ATOM 86 CB ILE A 7 -9.284 -5.696 -5.539 1.00 0.00 C ATOM 87 CG1 ILE A 7 -8.598 -4.770 -4.530 1.00 0.00 C ATOM 88 CG2 ILE A 7 -10.338 -4.906 -6.320 1.00 0.00 C ATOM 89 CD1 ILE A 7 -7.933 -3.606 -5.272 1.00 0.00 C ATOM 0 H ILE A 7 -10.469 -6.137 -2.856 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.517 -7.458 -5.522 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.538 -6.093 -6.228 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.328 -4.390 -3.815 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.853 -5.325 -3.960 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.858 -4.080 -6.845 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.823 -5.562 -7.043 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.084 -4.513 -5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.445 -2.948 -4.553 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.191 -3.995 -5.969 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.689 -3.046 -5.822 1.00 0.00 H new ATOM 101 N SER A 8 -8.209 -8.545 -4.868 1.00 0.00 N ATOM 102 CA SER A 8 -7.163 -9.431 -4.265 1.00 0.00 C ATOM 103 C SER A 8 -5.987 -9.567 -5.227 1.00 0.00 C ATOM 104 O SER A 8 -6.125 -9.430 -6.426 1.00 0.00 O ATOM 105 CB SER A 8 -7.760 -10.812 -3.997 1.00 0.00 C ATOM 106 OG SER A 8 -8.937 -10.670 -3.214 1.00 0.00 O ATOM 0 H SER A 8 -8.323 -8.640 -5.877 1.00 0.00 H new ATOM 0 HA SER A 8 -6.816 -8.993 -3.329 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.993 -11.309 -4.939 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.036 -11.439 -3.476 1.00 0.00 H new ATOM 0 HG SER A 8 -9.324 -11.554 -3.041 1.00 0.00 H new ATOM 112 N VAL A 9 -4.826 -9.844 -4.697 1.00 0.00 N ATOM 113 CA VAL A 9 -3.609 -10.003 -5.552 1.00 0.00 C ATOM 114 C VAL A 9 -2.746 -11.124 -4.974 1.00 0.00 C ATOM 115 O VAL A 9 -2.009 -10.928 -4.028 1.00 0.00 O ATOM 116 CB VAL A 9 -2.813 -8.697 -5.556 1.00 0.00 C ATOM 117 CG1 VAL A 9 -1.584 -8.851 -6.454 1.00 0.00 C ATOM 118 CG2 VAL A 9 -3.695 -7.566 -6.091 1.00 0.00 C ATOM 0 H VAL A 9 -4.665 -9.969 -3.698 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.902 -10.247 -6.573 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.494 -8.462 -4.540 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.017 -7.920 -6.457 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.956 -9.658 -6.076 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.903 -9.085 -7.470 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.129 -6.634 -6.095 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.013 -7.802 -7.107 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.572 -7.456 -5.453 1.00 0.00 H new ATOM 128 N GLY A 10 -2.840 -12.300 -5.529 1.00 0.00 N ATOM 129 CA GLY A 10 -2.034 -13.437 -5.004 1.00 0.00 C ATOM 130 C GLY A 10 -2.666 -13.945 -3.707 1.00 0.00 C ATOM 131 O GLY A 10 -3.803 -14.375 -3.689 1.00 0.00 O ATOM 0 H GLY A 10 -3.440 -12.523 -6.323 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.992 -14.239 -5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.008 -13.117 -4.822 1.00 0.00 H new ATOM 135 N ASN A 11 -1.936 -13.898 -2.621 1.00 0.00 N ATOM 136 CA ASN A 11 -2.483 -14.378 -1.310 1.00 0.00 C ATOM 137 C ASN A 11 -2.962 -13.182 -0.480 1.00 0.00 C ATOM 138 O ASN A 11 -3.238 -13.310 0.697 1.00 0.00 O ATOM 139 CB ASN A 11 -1.376 -15.112 -0.548 1.00 0.00 C ATOM 140 CG ASN A 11 -0.102 -14.264 -0.557 1.00 0.00 C ATOM 141 OD1 ASN A 11 -0.154 -13.067 -0.362 1.00 0.00 O ATOM 142 ND2 ASN A 11 1.048 -14.839 -0.780 1.00 0.00 N ATOM 0 H ASN A 11 -0.979 -13.546 -2.584 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.322 -15.050 -1.488 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -1.691 -15.303 0.478 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.184 -16.081 -1.008 1.00 0.00 H new ATOM 0 HD21 ASN A 11 1.903 -14.283 -0.790 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.092 -15.845 -0.944 1.00 0.00 H new ATOM 149 N LEU A 12 -3.048 -12.013 -1.081 1.00 0.00 N ATOM 150 CA LEU A 12 -3.496 -10.794 -0.332 1.00 0.00 C ATOM 151 C LEU A 12 -4.915 -10.423 -0.765 1.00 0.00 C ATOM 152 O LEU A 12 -5.208 -10.324 -1.940 1.00 0.00 O ATOM 153 CB LEU A 12 -2.552 -9.626 -0.653 1.00 0.00 C ATOM 154 CG LEU A 12 -1.090 -10.072 -0.522 1.00 0.00 C ATOM 155 CD1 LEU A 12 -0.176 -8.896 -0.877 1.00 0.00 C ATOM 156 CD2 LEU A 12 -0.806 -10.528 0.918 1.00 0.00 C ATOM 0 H LEU A 12 -2.825 -11.853 -2.063 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.480 -10.999 0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.740 -9.265 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.748 -8.795 0.024 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.903 -10.905 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.866 -9.204 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.373 -8.579 -1.901 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.369 -8.067 -0.197 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.234 -10.843 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.991 -9.702 1.604 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.459 -11.363 1.171 1.00 0.00 H new ATOM 168 N ARG A 13 -5.791 -10.203 0.186 1.00 0.00 N ATOM 169 CA ARG A 13 -7.205 -9.818 -0.132 1.00 0.00 C ATOM 170 C ARG A 13 -7.477 -8.436 0.463 1.00 0.00 C ATOM 171 O ARG A 13 -7.020 -8.123 1.541 1.00 0.00 O ATOM 172 CB ARG A 13 -8.160 -10.845 0.480 1.00 0.00 C ATOM 173 CG ARG A 13 -7.690 -12.256 0.124 1.00 0.00 C ATOM 174 CD ARG A 13 -8.701 -13.278 0.645 1.00 0.00 C ATOM 175 NE ARG A 13 -8.327 -14.639 0.167 1.00 0.00 N ATOM 176 CZ ARG A 13 -9.134 -15.645 0.365 1.00 0.00 C ATOM 177 NH1 ARG A 13 -10.271 -15.460 0.978 1.00 0.00 N ATOM 178 NH2 ARG A 13 -8.805 -16.838 -0.050 1.00 0.00 N ATOM 0 H ARG A 13 -5.584 -10.275 1.182 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.357 -9.792 -1.211 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.195 -10.724 1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.172 -10.683 0.108 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.583 -12.353 -0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.709 -12.445 0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.725 -13.258 1.735 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.703 -13.023 0.299 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.440 -14.784 -0.315 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.530 -14.528 1.303 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.901 -16.247 1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.917 -16.984 -0.529 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.436 -17.624 0.105 1.00 0.00 H new ATOM 192 N LEU A 14 -8.206 -7.604 -0.243 1.00 0.00 N ATOM 193 CA LEU A 14 -8.511 -6.224 0.259 1.00 0.00 C ATOM 194 C LEU A 14 -10.018 -5.971 0.176 1.00 0.00 C ATOM 195 O LEU A 14 -10.682 -6.411 -0.742 1.00 0.00 O ATOM 196 CB LEU A 14 -7.764 -5.201 -0.613 1.00 0.00 C ATOM 197 CG LEU A 14 -8.002 -3.749 -0.087 1.00 0.00 C ATOM 198 CD1 LEU A 14 -6.707 -2.929 -0.173 1.00 0.00 C ATOM 199 CD2 LEU A 14 -9.078 -3.038 -0.925 1.00 0.00 C ATOM 0 H LEU A 14 -8.607 -7.824 -1.155 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.190 -6.127 1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.697 -5.424 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.103 -5.279 -1.646 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.330 -3.823 0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.890 -1.920 0.197 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.935 -3.403 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.375 -2.880 -1.210 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.229 -2.028 -0.543 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.755 -2.988 -1.965 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.014 -3.593 -0.862 1.00 0.00 H new ATOM 211 N ASN A 15 -10.559 -5.261 1.138 1.00 0.00 N ATOM 212 CA ASN A 15 -12.031 -4.963 1.147 1.00 0.00 C ATOM 213 C ASN A 15 -12.258 -3.488 1.497 1.00 0.00 C ATOM 214 O ASN A 15 -12.208 -3.096 2.645 1.00 0.00 O ATOM 215 CB ASN A 15 -12.718 -5.852 2.192 1.00 0.00 C ATOM 216 CG ASN A 15 -12.814 -7.287 1.664 1.00 0.00 C ATOM 217 OD1 ASN A 15 -11.904 -7.772 1.022 1.00 0.00 O ATOM 218 ND2 ASN A 15 -13.887 -7.988 1.908 1.00 0.00 N ATOM 0 H ASN A 15 -10.040 -4.871 1.925 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.450 -5.164 0.161 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.155 -5.834 3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.714 -5.468 2.413 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -13.962 -8.944 1.560 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -14.651 -7.580 2.447 1.00 0.00 H new ATOM 225 N VAL A 16 -12.512 -2.670 0.509 1.00 0.00 N ATOM 226 CA VAL A 16 -12.748 -1.222 0.775 1.00 0.00 C ATOM 227 C VAL A 16 -14.062 -1.049 1.536 1.00 0.00 C ATOM 228 O VAL A 16 -14.225 -0.128 2.311 1.00 0.00 O ATOM 229 CB VAL A 16 -12.836 -0.468 -0.553 1.00 0.00 C ATOM 230 CG1 VAL A 16 -13.071 1.021 -0.285 1.00 0.00 C ATOM 231 CG2 VAL A 16 -11.530 -0.646 -1.329 1.00 0.00 C ATOM 0 H VAL A 16 -12.566 -2.944 -0.472 1.00 0.00 H new ATOM 0 HA VAL A 16 -11.925 -0.826 1.370 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.665 -0.865 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.133 1.556 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.003 1.149 0.266 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.244 1.420 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.593 -0.109 -2.275 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.701 -0.251 -0.742 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.364 -1.706 -1.524 1.00 0.00 H new ATOM 241 N THR A 17 -15.004 -1.923 1.317 1.00 0.00 N ATOM 242 CA THR A 17 -16.309 -1.799 2.027 1.00 0.00 C ATOM 243 C THR A 17 -16.078 -1.891 3.538 1.00 0.00 C ATOM 244 O THR A 17 -16.545 -1.064 4.296 1.00 0.00 O ATOM 245 CB THR A 17 -17.264 -2.918 1.575 1.00 0.00 C ATOM 246 OG1 THR A 17 -18.196 -3.189 2.612 1.00 0.00 O ATOM 247 CG2 THR A 17 -16.474 -4.190 1.257 1.00 0.00 C ATOM 0 H THR A 17 -14.928 -2.716 0.679 1.00 0.00 H new ATOM 0 HA THR A 17 -16.758 -0.835 1.787 1.00 0.00 H new ATOM 0 HB THR A 17 -17.792 -2.594 0.678 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.806 -3.900 2.326 1.00 0.00 H new ATOM 0 HG21 THR A 17 -17.160 -4.975 0.938 1.00 0.00 H new ATOM 0 HG22 THR A 17 -15.761 -3.985 0.458 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.937 -4.517 2.148 1.00 0.00 H new ATOM 255 N ARG A 18 -15.348 -2.882 3.984 1.00 0.00 N ATOM 256 CA ARG A 18 -15.068 -3.024 5.446 1.00 0.00 C ATOM 257 C ARG A 18 -13.739 -2.339 5.750 1.00 0.00 C ATOM 258 O ARG A 18 -13.404 -2.078 6.887 1.00 0.00 O ATOM 259 CB ARG A 18 -14.970 -4.510 5.805 1.00 0.00 C ATOM 260 CG ARG A 18 -16.255 -5.226 5.377 1.00 0.00 C ATOM 261 CD ARG A 18 -16.291 -6.628 5.991 1.00 0.00 C ATOM 262 NE ARG A 18 -16.419 -6.517 7.472 1.00 0.00 N ATOM 263 CZ ARG A 18 -16.633 -7.584 8.193 1.00 0.00 C ATOM 264 NH1 ARG A 18 -16.736 -8.752 7.617 1.00 0.00 N ATOM 265 NH2 ARG A 18 -16.745 -7.485 9.489 1.00 0.00 N ATOM 0 H ARG A 18 -14.931 -3.603 3.395 1.00 0.00 H new ATOM 0 HA ARG A 18 -15.868 -2.568 6.028 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.109 -4.959 5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.817 -4.626 6.878 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -17.126 -4.655 5.699 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.301 -5.293 4.290 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -17.129 -7.194 5.584 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.383 -7.173 5.733 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.339 -5.606 7.923 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.649 -8.830 6.604 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -16.903 -9.586 8.181 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.665 -6.573 9.940 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.912 -8.319 10.052 1.00 0.00 H new ATOM 279 N ARG A 19 -12.986 -2.047 4.726 1.00 0.00 N ATOM 280 CA ARG A 19 -11.674 -1.374 4.914 1.00 0.00 C ATOM 281 C ARG A 19 -10.725 -2.296 5.694 1.00 0.00 C ATOM 282 O ARG A 19 -10.105 -1.889 6.656 1.00 0.00 O ATOM 283 CB ARG A 19 -11.882 -0.048 5.682 1.00 0.00 C ATOM 284 CG ARG A 19 -10.734 0.946 5.380 1.00 0.00 C ATOM 285 CD ARG A 19 -11.020 1.725 4.086 1.00 0.00 C ATOM 286 NE ARG A 19 -9.981 2.777 3.902 1.00 0.00 N ATOM 287 CZ ARG A 19 -9.985 3.840 4.658 1.00 0.00 C ATOM 288 NH1 ARG A 19 -10.903 3.988 5.573 1.00 0.00 N ATOM 289 NH2 ARG A 19 -9.070 4.757 4.500 1.00 0.00 N ATOM 0 H ARG A 19 -13.228 -2.249 3.756 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.232 -1.157 3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -12.837 0.395 5.400 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -11.926 -0.246 6.753 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.619 1.641 6.212 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.793 0.405 5.285 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.022 1.047 3.233 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.009 2.180 4.133 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.265 2.666 3.184 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.619 3.272 5.698 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -10.905 4.820 6.164 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -8.351 4.643 3.785 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -9.073 5.588 5.091 1.00 0.00 H new ATOM 303 N LEU A 20 -10.610 -3.536 5.277 1.00 0.00 N ATOM 304 CA LEU A 20 -9.709 -4.512 5.968 1.00 0.00 C ATOM 305 C LEU A 20 -8.886 -5.261 4.918 1.00 0.00 C ATOM 306 O LEU A 20 -9.303 -5.412 3.787 1.00 0.00 O ATOM 307 CB LEU A 20 -10.548 -5.527 6.758 1.00 0.00 C ATOM 308 CG LEU A 20 -11.509 -4.806 7.718 1.00 0.00 C ATOM 309 CD1 LEU A 20 -12.528 -5.813 8.264 1.00 0.00 C ATOM 310 CD2 LEU A 20 -10.730 -4.189 8.891 1.00 0.00 C ATOM 0 H LEU A 20 -11.111 -3.917 4.474 1.00 0.00 H new ATOM 0 HA LEU A 20 -9.051 -3.974 6.651 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -11.115 -6.152 6.069 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.891 -6.189 7.322 1.00 0.00 H new ATOM 0 HG LEU A 20 -12.021 -4.012 7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.211 -5.306 8.945 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -13.093 -6.244 7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.005 -6.606 8.798 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.424 -3.682 9.562 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.208 -4.976 9.435 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.005 -3.471 8.508 1.00 0.00 H new ATOM 322 N VAL A 21 -7.714 -5.731 5.285 1.00 0.00 N ATOM 323 CA VAL A 21 -6.844 -6.477 4.317 1.00 0.00 C ATOM 324 C VAL A 21 -6.307 -7.742 4.990 1.00 0.00 C ATOM 325 O VAL A 21 -5.841 -7.706 6.111 1.00 0.00 O ATOM 326 CB VAL A 21 -5.661 -5.591 3.907 1.00 0.00 C ATOM 327 CG1 VAL A 21 -4.931 -6.226 2.721 1.00 0.00 C ATOM 328 CG2 VAL A 21 -6.172 -4.204 3.510 1.00 0.00 C ATOM 0 H VAL A 21 -7.321 -5.628 6.221 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.428 -6.744 3.436 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.973 -5.496 4.747 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.091 -5.595 2.431 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.563 -7.212 3.006 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.618 -6.324 1.881 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.330 -3.576 3.219 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.862 -4.297 2.672 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.688 -3.750 4.356 1.00 0.00 H new ATOM 338 N TRP A 22 -6.360 -8.860 4.305 1.00 0.00 N ATOM 339 CA TRP A 22 -5.844 -10.142 4.884 1.00 0.00 C ATOM 340 C TRP A 22 -4.482 -10.457 4.261 1.00 0.00 C ATOM 341 O TRP A 22 -4.147 -9.971 3.199 1.00 0.00 O ATOM 342 CB TRP A 22 -6.821 -11.276 4.563 1.00 0.00 C ATOM 343 CG TRP A 22 -8.124 -11.022 5.252 1.00 0.00 C ATOM 344 CD1 TRP A 22 -8.554 -11.668 6.362 1.00 0.00 C ATOM 345 CD2 TRP A 22 -9.170 -10.070 4.902 1.00 0.00 C ATOM 346 NE1 TRP A 22 -9.796 -11.171 6.715 1.00 0.00 N ATOM 347 CE2 TRP A 22 -10.219 -10.185 5.846 1.00 0.00 C ATOM 348 CE3 TRP A 22 -9.310 -9.127 3.868 1.00 0.00 C ATOM 349 CZ2 TRP A 22 -11.365 -9.391 5.767 1.00 0.00 C ATOM 350 CZ3 TRP A 22 -10.462 -8.328 3.786 1.00 0.00 C ATOM 351 CH2 TRP A 22 -11.487 -8.459 4.733 1.00 0.00 C ATOM 0 H TRP A 22 -6.742 -8.940 3.362 1.00 0.00 H new ATOM 0 HA TRP A 22 -5.744 -10.044 5.965 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -6.974 -11.344 3.486 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -6.406 -12.230 4.887 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -8.016 -12.444 6.886 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.334 -11.494 7.519 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.527 -9.017 3.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -12.151 -9.496 6.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -10.559 -7.607 2.987 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.370 -7.841 4.664 1.00 0.00 H new ATOM 362 N LEU A 23 -3.692 -11.266 4.916 1.00 0.00 N ATOM 363 CA LEU A 23 -2.343 -11.620 4.373 1.00 0.00 C ATOM 364 C LEU A 23 -2.017 -13.058 4.770 1.00 0.00 C ATOM 365 O LEU A 23 -1.926 -13.380 5.935 1.00 0.00 O ATOM 366 CB LEU A 23 -1.293 -10.666 4.968 1.00 0.00 C ATOM 367 CG LEU A 23 0.157 -11.138 4.620 1.00 0.00 C ATOM 368 CD1 LEU A 23 1.008 -9.951 4.139 1.00 0.00 C ATOM 369 CD2 LEU A 23 0.841 -11.745 5.856 1.00 0.00 C ATOM 0 H LEU A 23 -3.923 -11.701 5.809 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.337 -11.528 3.287 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.453 -9.659 4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.413 -10.617 6.050 1.00 0.00 H new ATOM 0 HG LEU A 23 0.078 -11.887 3.832 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.014 -10.297 3.901 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.554 -9.515 3.249 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.060 -9.198 4.926 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.849 -12.067 5.593 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.894 -10.997 6.647 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.266 -12.602 6.206 1.00 0.00 H new ATOM 381 N GLY A 24 -1.865 -13.936 3.819 1.00 0.00 N ATOM 382 CA GLY A 24 -1.572 -15.349 4.178 1.00 0.00 C ATOM 383 C GLY A 24 -2.781 -15.898 4.926 1.00 0.00 C ATOM 384 O GLY A 24 -2.661 -16.593 5.912 1.00 0.00 O ATOM 0 H GLY A 24 -1.930 -13.739 2.820 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.377 -15.938 3.282 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -0.679 -15.408 4.800 1.00 0.00 H new ATOM 388 N GLU A 25 -3.949 -15.568 4.449 1.00 0.00 N ATOM 389 CA GLU A 25 -5.205 -16.036 5.097 1.00 0.00 C ATOM 390 C GLU A 25 -5.289 -15.499 6.533 1.00 0.00 C ATOM 391 O GLU A 25 -6.217 -15.814 7.253 1.00 0.00 O ATOM 392 CB GLU A 25 -5.252 -17.569 5.113 1.00 0.00 C ATOM 393 CG GLU A 25 -4.830 -18.112 3.743 1.00 0.00 C ATOM 394 CD GLU A 25 -5.134 -19.609 3.670 1.00 0.00 C ATOM 395 OE1 GLU A 25 -6.286 -19.950 3.460 1.00 0.00 O ATOM 396 OE2 GLU A 25 -4.210 -20.390 3.827 1.00 0.00 O ATOM 0 H GLU A 25 -4.088 -14.984 3.624 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.054 -15.661 4.526 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -4.590 -17.955 5.888 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.259 -17.909 5.356 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -5.361 -17.584 2.951 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.766 -17.938 3.584 1.00 0.00 H new ATOM 403 N THR A 26 -4.339 -14.685 6.958 1.00 0.00 N ATOM 404 CA THR A 26 -4.386 -14.124 8.358 1.00 0.00 C ATOM 405 C THR A 26 -4.732 -12.636 8.299 1.00 0.00 C ATOM 406 O THR A 26 -4.278 -11.915 7.434 1.00 0.00 O ATOM 407 CB THR A 26 -3.028 -14.297 9.047 1.00 0.00 C ATOM 408 OG1 THR A 26 -2.014 -13.680 8.271 1.00 0.00 O ATOM 409 CG2 THR A 26 -2.716 -15.786 9.210 1.00 0.00 C ATOM 0 H THR A 26 -3.539 -14.387 6.400 1.00 0.00 H new ATOM 0 HA THR A 26 -5.145 -14.661 8.926 1.00 0.00 H new ATOM 0 HB THR A 26 -3.064 -13.827 10.030 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.963 -14.115 7.394 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.750 -15.904 9.700 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.490 -16.256 9.817 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.686 -16.261 8.229 1.00 0.00 H new ATOM 417 N ALA A 27 -5.539 -12.172 9.215 1.00 0.00 N ATOM 418 CA ALA A 27 -5.926 -10.732 9.216 1.00 0.00 C ATOM 419 C ALA A 27 -4.716 -9.873 9.591 1.00 0.00 C ATOM 420 O ALA A 27 -4.213 -9.939 10.695 1.00 0.00 O ATOM 421 CB ALA A 27 -7.045 -10.505 10.234 1.00 0.00 C ATOM 0 H ALA A 27 -5.948 -12.730 9.965 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.274 -10.452 8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.328 -9.452 10.235 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.909 -11.113 9.966 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.696 -10.788 11.227 1.00 0.00 H new ATOM 427 N LEU A 28 -4.245 -9.065 8.677 1.00 0.00 N ATOM 428 CA LEU A 28 -3.067 -8.196 8.967 1.00 0.00 C ATOM 429 C LEU A 28 -3.551 -6.908 9.650 1.00 0.00 C ATOM 430 O LEU A 28 -4.583 -6.366 9.307 1.00 0.00 O ATOM 431 CB LEU A 28 -2.364 -7.867 7.636 1.00 0.00 C ATOM 432 CG LEU A 28 -0.880 -7.515 7.867 1.00 0.00 C ATOM 433 CD1 LEU A 28 -0.081 -8.749 8.363 1.00 0.00 C ATOM 434 CD2 LEU A 28 -0.282 -6.994 6.547 1.00 0.00 C ATOM 0 H LEU A 28 -4.629 -8.970 7.737 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.366 -8.704 9.630 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.438 -8.720 6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.868 -7.031 7.151 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.814 -6.747 8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.961 -8.470 8.517 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.504 -9.103 9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.138 -9.543 7.618 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.768 -6.742 6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.363 -7.765 5.781 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.826 -6.106 6.227 1.00 0.00 H new ATOM 446 N ASP A 29 -2.813 -6.419 10.618 1.00 0.00 N ATOM 447 CA ASP A 29 -3.222 -5.167 11.337 1.00 0.00 C ATOM 448 C ASP A 29 -2.442 -3.973 10.783 1.00 0.00 C ATOM 449 O ASP A 29 -1.261 -3.827 11.030 1.00 0.00 O ATOM 450 CB ASP A 29 -2.911 -5.321 12.827 1.00 0.00 C ATOM 451 CG ASP A 29 -3.705 -6.497 13.396 1.00 0.00 C ATOM 452 OD1 ASP A 29 -4.175 -7.304 12.613 1.00 0.00 O ATOM 453 OD2 ASP A 29 -3.830 -6.570 14.608 1.00 0.00 O ATOM 0 H ASP A 29 -1.940 -6.834 10.944 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.289 -5.000 11.193 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.843 -5.486 12.971 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -3.167 -4.405 13.359 1.00 0.00 H new ATOM 458 N LEU A 30 -3.099 -3.118 10.035 1.00 0.00 N ATOM 459 CA LEU A 30 -2.423 -1.914 9.448 1.00 0.00 C ATOM 460 C LEU A 30 -3.243 -0.668 9.795 1.00 0.00 C ATOM 461 O LEU A 30 -4.459 -0.692 9.790 1.00 0.00 O ATOM 462 CB LEU A 30 -2.330 -2.066 7.918 1.00 0.00 C ATOM 463 CG LEU A 30 -3.692 -2.534 7.323 1.00 0.00 C ATOM 464 CD1 LEU A 30 -3.893 -1.930 5.927 1.00 0.00 C ATOM 465 CD2 LEU A 30 -3.728 -4.067 7.194 1.00 0.00 C ATOM 0 H LEU A 30 -4.088 -3.204 9.803 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.417 -1.819 9.856 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.041 -1.115 7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.552 -2.787 7.667 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.483 -2.202 7.995 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.848 -2.263 5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.888 -0.842 5.997 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.086 -2.255 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.687 -4.375 6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.924 -4.396 6.536 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.599 -4.518 8.178 1.00 0.00 H new ATOM 477 N THR A 31 -2.591 0.418 10.112 1.00 0.00 N ATOM 478 CA THR A 31 -3.341 1.656 10.475 1.00 0.00 C ATOM 479 C THR A 31 -4.208 2.101 9.280 1.00 0.00 C ATOM 480 O THR A 31 -3.800 1.955 8.145 1.00 0.00 O ATOM 481 CB THR A 31 -2.344 2.766 10.816 1.00 0.00 C ATOM 482 OG1 THR A 31 -1.439 2.936 9.734 1.00 0.00 O ATOM 483 CG2 THR A 31 -1.567 2.389 12.079 1.00 0.00 C ATOM 0 H THR A 31 -1.575 0.502 10.136 1.00 0.00 H new ATOM 0 HA THR A 31 -3.981 1.457 11.335 1.00 0.00 H new ATOM 0 HB THR A 31 -2.883 3.697 10.990 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.801 3.648 9.950 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.858 3.181 12.320 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.262 2.260 12.909 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.027 1.457 11.909 1.00 0.00 H new ATOM 491 N PRO A 32 -5.389 2.655 9.508 1.00 0.00 N ATOM 492 CA PRO A 32 -6.267 3.122 8.391 1.00 0.00 C ATOM 493 C PRO A 32 -5.488 3.910 7.327 1.00 0.00 C ATOM 494 O PRO A 32 -5.691 3.741 6.141 1.00 0.00 O ATOM 495 CB PRO A 32 -7.286 4.033 9.095 1.00 0.00 C ATOM 496 CG PRO A 32 -7.406 3.473 10.478 1.00 0.00 C ATOM 497 CD PRO A 32 -6.025 2.890 10.826 1.00 0.00 C ATOM 0 HA PRO A 32 -6.720 2.289 7.853 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -6.944 5.068 9.115 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.247 4.025 8.580 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -7.691 4.249 11.189 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.176 2.703 10.521 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.441 3.583 11.432 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.115 1.965 11.396 1.00 0.00 H new ATOM 505 N LYS A 33 -4.608 4.777 7.747 1.00 0.00 N ATOM 506 CA LYS A 33 -3.826 5.584 6.768 1.00 0.00 C ATOM 507 C LYS A 33 -3.148 4.657 5.758 1.00 0.00 C ATOM 508 O LYS A 33 -3.211 4.872 4.564 1.00 0.00 O ATOM 509 CB LYS A 33 -2.762 6.392 7.516 1.00 0.00 C ATOM 510 CG LYS A 33 -3.436 7.504 8.323 1.00 0.00 C ATOM 511 CD LYS A 33 -2.376 8.283 9.104 1.00 0.00 C ATOM 512 CE LYS A 33 -3.021 9.499 9.769 1.00 0.00 C ATOM 513 NZ LYS A 33 -3.428 10.479 8.722 1.00 0.00 N ATOM 0 H LYS A 33 -4.396 4.962 8.728 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.496 6.261 6.238 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.195 5.739 8.180 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.052 6.821 6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.977 8.175 7.656 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.168 7.077 9.009 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.921 7.642 9.859 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.578 8.603 8.434 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.889 9.191 10.351 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -2.320 9.962 10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.513 11.425 9.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.711 10.500 7.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.344 10.197 8.320 1.00 0.00 H new ATOM 527 N GLU A 34 -2.494 3.629 6.225 1.00 0.00 N ATOM 528 CA GLU A 34 -1.811 2.695 5.287 1.00 0.00 C ATOM 529 C GLU A 34 -2.843 2.090 4.331 1.00 0.00 C ATOM 530 O GLU A 34 -2.551 1.816 3.185 1.00 0.00 O ATOM 531 CB GLU A 34 -1.122 1.584 6.095 1.00 0.00 C ATOM 532 CG GLU A 34 -0.543 0.507 5.162 1.00 0.00 C ATOM 533 CD GLU A 34 0.367 1.154 4.115 1.00 0.00 C ATOM 534 OE1 GLU A 34 -0.156 1.674 3.144 1.00 0.00 O ATOM 535 OE2 GLU A 34 1.572 1.118 4.303 1.00 0.00 O ATOM 0 H GLU A 34 -2.403 3.396 7.214 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.062 3.232 4.705 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.325 2.012 6.703 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.837 1.130 6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.020 -0.224 5.742 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.352 -0.032 4.669 1.00 0.00 H new ATOM 542 N TYR A 35 -4.047 1.878 4.790 1.00 0.00 N ATOM 543 CA TYR A 35 -5.086 1.290 3.897 1.00 0.00 C ATOM 544 C TYR A 35 -5.301 2.211 2.693 1.00 0.00 C ATOM 545 O TYR A 35 -5.617 1.765 1.608 1.00 0.00 O ATOM 546 CB TYR A 35 -6.405 1.136 4.668 1.00 0.00 C ATOM 547 CG TYR A 35 -7.364 0.269 3.870 1.00 0.00 C ATOM 548 CD1 TYR A 35 -8.031 0.797 2.755 1.00 0.00 C ATOM 549 CD2 TYR A 35 -7.583 -1.065 4.244 1.00 0.00 C ATOM 550 CE1 TYR A 35 -8.912 -0.006 2.018 1.00 0.00 C ATOM 551 CE2 TYR A 35 -8.463 -1.865 3.504 1.00 0.00 C ATOM 552 CZ TYR A 35 -9.124 -1.337 2.393 1.00 0.00 C ATOM 553 OH TYR A 35 -9.986 -2.130 1.664 1.00 0.00 O ATOM 0 H TYR A 35 -4.355 2.085 5.740 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.755 0.310 3.553 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.218 0.686 5.643 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -6.849 2.115 4.849 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.866 1.824 2.464 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.073 -1.475 5.103 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.427 0.402 1.161 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.631 -2.892 3.793 1.00 0.00 H new ATOM 0 HH TYR A 35 -10.331 -2.849 2.234 1.00 0.00 H new ATOM 563 N ALA A 36 -5.146 3.494 2.877 1.00 0.00 N ATOM 564 CA ALA A 36 -5.359 4.440 1.742 1.00 0.00 C ATOM 565 C ALA A 36 -4.183 4.356 0.771 1.00 0.00 C ATOM 566 O ALA A 36 -4.353 4.128 -0.412 1.00 0.00 O ATOM 567 CB ALA A 36 -5.459 5.867 2.283 1.00 0.00 C ATOM 0 H ALA A 36 -4.882 3.928 3.761 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.280 4.174 1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.615 6.560 1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.297 5.935 2.976 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.536 6.124 2.803 1.00 0.00 H new ATOM 573 N LEU A 37 -2.987 4.521 1.261 1.00 0.00 N ATOM 574 CA LEU A 37 -1.808 4.440 0.361 1.00 0.00 C ATOM 575 C LEU A 37 -1.716 3.014 -0.177 1.00 0.00 C ATOM 576 O LEU A 37 -1.400 2.788 -1.328 1.00 0.00 O ATOM 577 CB LEU A 37 -0.534 4.786 1.142 1.00 0.00 C ATOM 578 CG LEU A 37 -0.456 6.297 1.403 1.00 0.00 C ATOM 579 CD1 LEU A 37 -1.550 6.733 2.391 1.00 0.00 C ATOM 580 CD2 LEU A 37 0.922 6.632 1.985 1.00 0.00 C ATOM 0 H LEU A 37 -2.777 4.708 2.242 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.913 5.146 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.523 4.247 2.089 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.343 4.462 0.581 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.606 6.828 0.463 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.478 7.807 2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.530 6.497 1.976 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.419 6.205 3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.987 7.704 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.064 6.090 2.920 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.697 6.341 1.276 1.00 0.00 H new ATOM 592 N LEU A 38 -2.007 2.051 0.653 1.00 0.00 N ATOM 593 CA LEU A 38 -1.956 0.632 0.208 1.00 0.00 C ATOM 594 C LEU A 38 -3.031 0.407 -0.857 1.00 0.00 C ATOM 595 O LEU A 38 -2.784 -0.189 -1.888 1.00 0.00 O ATOM 596 CB LEU A 38 -2.219 -0.274 1.418 1.00 0.00 C ATOM 597 CG LEU A 38 -2.134 -1.761 1.028 1.00 0.00 C ATOM 598 CD1 LEU A 38 -0.702 -2.125 0.583 1.00 0.00 C ATOM 599 CD2 LEU A 38 -2.531 -2.607 2.244 1.00 0.00 C ATOM 0 H LEU A 38 -2.280 2.188 1.626 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.978 0.399 -0.214 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.493 -0.059 2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.205 -0.059 1.829 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.809 -1.957 0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.662 -3.180 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.423 -1.518 -0.278 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.007 -1.935 1.401 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.476 -3.664 1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.850 -2.400 3.069 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.549 -2.359 2.543 1.00 0.00 H new ATOM 611 N SER A 39 -4.226 0.878 -0.618 1.00 0.00 N ATOM 612 CA SER A 39 -5.318 0.692 -1.617 1.00 0.00 C ATOM 613 C SER A 39 -4.832 1.139 -2.999 1.00 0.00 C ATOM 614 O SER A 39 -5.255 0.620 -4.013 1.00 0.00 O ATOM 615 CB SER A 39 -6.534 1.525 -1.208 1.00 0.00 C ATOM 616 OG SER A 39 -7.133 0.945 -0.056 1.00 0.00 O ATOM 0 H SER A 39 -4.493 1.384 0.227 1.00 0.00 H new ATOM 0 HA SER A 39 -5.597 -0.361 -1.655 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.233 2.551 -0.998 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.254 1.565 -2.026 1.00 0.00 H new ATOM 0 HG SER A 39 -6.845 1.433 0.743 1.00 0.00 H new ATOM 622 N ARG A 40 -3.938 2.092 -3.049 1.00 0.00 N ATOM 623 CA ARG A 40 -3.424 2.558 -4.369 1.00 0.00 C ATOM 624 C ARG A 40 -2.409 1.540 -4.899 1.00 0.00 C ATOM 625 O ARG A 40 -2.349 1.265 -6.081 1.00 0.00 O ATOM 626 CB ARG A 40 -2.745 3.926 -4.200 1.00 0.00 C ATOM 627 CG ARG A 40 -2.498 4.580 -5.580 1.00 0.00 C ATOM 628 CD ARG A 40 -3.753 5.326 -6.060 1.00 0.00 C ATOM 629 NE ARG A 40 -3.438 6.059 -7.319 1.00 0.00 N ATOM 630 CZ ARG A 40 -4.347 6.805 -7.886 1.00 0.00 C ATOM 631 NH1 ARG A 40 -5.535 6.903 -7.356 1.00 0.00 N ATOM 632 NH2 ARG A 40 -4.067 7.449 -8.986 1.00 0.00 N ATOM 0 H ARG A 40 -3.544 2.565 -2.236 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.250 2.652 -5.075 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.371 4.577 -3.589 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.799 3.807 -3.672 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.659 5.273 -5.515 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.223 3.815 -6.306 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.567 4.621 -6.230 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.091 6.024 -5.294 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.512 5.978 -7.738 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.754 6.397 -6.498 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.245 7.486 -7.799 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.139 7.369 -9.402 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.776 8.032 -9.430 1.00 0.00 H new ATOM 646 N LEU A 41 -1.611 0.978 -4.032 1.00 0.00 N ATOM 647 CA LEU A 41 -0.602 -0.023 -4.481 1.00 0.00 C ATOM 648 C LEU A 41 -1.322 -1.162 -5.221 1.00 0.00 C ATOM 649 O LEU A 41 -0.914 -1.575 -6.289 1.00 0.00 O ATOM 650 CB LEU A 41 0.151 -0.576 -3.243 1.00 0.00 C ATOM 651 CG LEU A 41 1.470 0.181 -3.015 1.00 0.00 C ATOM 652 CD1 LEU A 41 1.181 1.643 -2.668 1.00 0.00 C ATOM 653 CD2 LEU A 41 2.231 -0.472 -1.857 1.00 0.00 C ATOM 0 H LEU A 41 -1.615 1.170 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 41 0.118 0.442 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.481 -0.487 -2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.356 -1.637 -3.382 1.00 0.00 H new ATOM 0 HG LEU A 41 2.069 0.141 -3.925 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.121 2.172 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.636 2.111 -3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.580 1.689 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.167 0.061 -1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.624 -0.430 -0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.444 -1.512 -2.102 1.00 0.00 H new ATOM 665 N MET A 42 -2.384 -1.674 -4.660 1.00 0.00 N ATOM 666 CA MET A 42 -3.116 -2.786 -5.330 1.00 0.00 C ATOM 667 C MET A 42 -3.868 -2.247 -6.548 1.00 0.00 C ATOM 668 O MET A 42 -4.062 -2.941 -7.527 1.00 0.00 O ATOM 669 CB MET A 42 -4.112 -3.408 -4.343 1.00 0.00 C ATOM 670 CG MET A 42 -3.355 -4.216 -3.285 1.00 0.00 C ATOM 671 SD MET A 42 -4.479 -4.645 -1.934 1.00 0.00 S ATOM 672 CE MET A 42 -3.284 -5.549 -0.920 1.00 0.00 C ATOM 0 H MET A 42 -2.776 -1.371 -3.768 1.00 0.00 H new ATOM 0 HA MET A 42 -2.404 -3.545 -5.655 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.701 -2.626 -3.864 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.811 -4.053 -4.875 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.942 -5.121 -3.730 1.00 0.00 H new ATOM 0 HG3 MET A 42 -2.514 -3.637 -2.903 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.774 -5.911 -0.016 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.894 -6.396 -1.485 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.463 -4.886 -0.647 1.00 0.00 H new ATOM 682 N MET A 43 -4.296 -1.015 -6.498 1.00 0.00 N ATOM 683 CA MET A 43 -5.036 -0.435 -7.657 1.00 0.00 C ATOM 684 C MET A 43 -4.221 -0.639 -8.935 1.00 0.00 C ATOM 685 O MET A 43 -4.764 -0.873 -9.997 1.00 0.00 O ATOM 686 CB MET A 43 -5.259 1.062 -7.427 1.00 0.00 C ATOM 687 CG MET A 43 -6.112 1.631 -8.564 1.00 0.00 C ATOM 688 SD MET A 43 -6.615 3.320 -8.154 1.00 0.00 S ATOM 689 CE MET A 43 -7.901 3.487 -9.417 1.00 0.00 C ATOM 0 H MET A 43 -4.166 -0.385 -5.706 1.00 0.00 H new ATOM 0 HA MET A 43 -6.001 -0.933 -7.757 1.00 0.00 H new ATOM 0 HB2 MET A 43 -5.755 1.224 -6.470 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.301 1.581 -7.382 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.546 1.625 -9.496 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.991 1.006 -8.721 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.355 4.475 -9.345 1.00 0.00 H new ATOM 0 HE2 MET A 43 -7.459 3.361 -10.405 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.665 2.725 -9.262 1.00 0.00 H new ATOM 699 N LYS A 44 -2.915 -0.549 -8.832 1.00 0.00 N ATOM 700 CA LYS A 44 -2.021 -0.731 -10.024 1.00 0.00 C ATOM 701 C LYS A 44 -1.059 -1.895 -9.760 1.00 0.00 C ATOM 702 O LYS A 44 0.143 -1.755 -9.863 1.00 0.00 O ATOM 703 CB LYS A 44 -1.224 0.563 -10.245 1.00 0.00 C ATOM 704 CG LYS A 44 -0.596 0.561 -11.643 1.00 0.00 C ATOM 705 CD LYS A 44 0.111 1.899 -11.891 1.00 0.00 C ATOM 706 CE LYS A 44 0.477 2.024 -13.372 1.00 0.00 C ATOM 707 NZ LYS A 44 -0.761 2.235 -14.175 1.00 0.00 N ATOM 0 H LYS A 44 -2.423 -0.354 -7.960 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.615 -0.952 -10.911 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -1.879 1.427 -10.133 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.445 0.654 -9.488 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.116 -0.260 -11.732 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.365 0.399 -12.398 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.538 2.724 -11.596 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.010 1.965 -11.278 1.00 0.00 H new ATOM 0 HE2 LYS A 44 1.164 2.857 -13.518 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.992 1.124 -13.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -0.513 2.665 -15.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -1.229 1.321 -14.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.406 2.867 -13.659 1.00 0.00 H new ATOM 721 N ALA A 45 -1.582 -3.042 -9.415 1.00 0.00 N ATOM 722 CA ALA A 45 -0.706 -4.213 -9.140 1.00 0.00 C ATOM 723 C ALA A 45 -0.125 -4.749 -10.451 1.00 0.00 C ATOM 724 O ALA A 45 -0.802 -5.405 -11.219 1.00 0.00 O ATOM 725 CB ALA A 45 -1.523 -5.312 -8.458 1.00 0.00 C ATOM 0 H ALA A 45 -2.582 -3.216 -9.312 1.00 0.00 H new ATOM 0 HA ALA A 45 0.110 -3.904 -8.486 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.882 -6.170 -8.256 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.929 -4.934 -7.520 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.341 -5.616 -9.111 1.00 0.00 H new ATOM 731 N GLY A 46 1.127 -4.476 -10.714 1.00 0.00 N ATOM 732 CA GLY A 46 1.767 -4.968 -11.976 1.00 0.00 C ATOM 733 C GLY A 46 2.830 -3.964 -12.425 1.00 0.00 C ATOM 734 O GLY A 46 3.688 -4.267 -13.231 1.00 0.00 O ATOM 0 H GLY A 46 1.739 -3.931 -10.107 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.220 -5.946 -11.811 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.015 -5.092 -12.755 1.00 0.00 H new ATOM 738 N SER A 47 2.768 -2.763 -11.909 1.00 0.00 N ATOM 739 CA SER A 47 3.761 -1.706 -12.293 1.00 0.00 C ATOM 740 C SER A 47 4.125 -0.888 -11.042 1.00 0.00 C ATOM 741 O SER A 47 3.398 -0.888 -10.069 1.00 0.00 O ATOM 742 CB SER A 47 3.131 -0.806 -13.374 1.00 0.00 C ATOM 743 OG SER A 47 3.665 -1.163 -14.643 1.00 0.00 O ATOM 0 H SER A 47 2.067 -2.464 -11.232 1.00 0.00 H new ATOM 0 HA SER A 47 4.670 -2.154 -12.694 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.047 -0.922 -13.376 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.339 0.242 -13.159 1.00 0.00 H new ATOM 0 HG SER A 47 3.268 -0.596 -15.336 1.00 0.00 H new ATOM 749 N PRO A 48 5.242 -0.200 -11.064 1.00 0.00 N ATOM 750 CA PRO A 48 5.690 0.624 -9.902 1.00 0.00 C ATOM 751 C PRO A 48 4.790 1.848 -9.693 1.00 0.00 C ATOM 752 O PRO A 48 4.662 2.690 -10.559 1.00 0.00 O ATOM 753 CB PRO A 48 7.122 1.042 -10.289 1.00 0.00 C ATOM 754 CG PRO A 48 7.126 1.025 -11.786 1.00 0.00 C ATOM 755 CD PRO A 48 6.197 -0.127 -12.186 1.00 0.00 C ATOM 0 HA PRO A 48 5.645 0.078 -8.960 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.365 2.032 -9.903 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.861 0.351 -9.882 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.771 1.973 -12.190 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.133 0.870 -12.174 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.692 0.073 -13.131 1.00 0.00 H new ATOM 0 HD3 PRO A 48 6.745 -1.061 -12.309 1.00 0.00 H new ATOM 763 N VAL A 49 4.168 1.951 -8.547 1.00 0.00 N ATOM 764 CA VAL A 49 3.279 3.120 -8.280 1.00 0.00 C ATOM 765 C VAL A 49 4.122 4.307 -7.799 1.00 0.00 C ATOM 766 O VAL A 49 4.957 4.173 -6.928 1.00 0.00 O ATOM 767 CB VAL A 49 2.237 2.745 -7.215 1.00 0.00 C ATOM 768 CG1 VAL A 49 2.900 2.581 -5.842 1.00 0.00 C ATOM 769 CG2 VAL A 49 1.173 3.842 -7.136 1.00 0.00 C ATOM 0 H VAL A 49 4.237 1.276 -7.785 1.00 0.00 H new ATOM 0 HA VAL A 49 2.761 3.400 -9.197 1.00 0.00 H new ATOM 0 HB VAL A 49 1.777 1.798 -7.496 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.144 2.316 -5.103 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.651 1.793 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.376 3.518 -5.554 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.433 3.577 -6.381 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.644 4.787 -6.867 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.683 3.944 -8.104 1.00 0.00 H new ATOM 779 N HIS A 50 3.907 5.470 -8.350 1.00 0.00 N ATOM 780 CA HIS A 50 4.698 6.654 -7.909 1.00 0.00 C ATOM 781 C HIS A 50 4.484 6.865 -6.405 1.00 0.00 C ATOM 782 O HIS A 50 3.430 6.577 -5.873 1.00 0.00 O ATOM 783 CB HIS A 50 4.235 7.893 -8.691 1.00 0.00 C ATOM 784 CG HIS A 50 5.261 8.992 -8.583 1.00 0.00 C ATOM 785 ND1 HIS A 50 4.907 10.312 -8.335 1.00 0.00 N ATOM 786 CD2 HIS A 50 6.632 8.988 -8.700 1.00 0.00 C ATOM 787 CE1 HIS A 50 6.040 11.040 -8.313 1.00 0.00 C ATOM 788 NE2 HIS A 50 7.115 10.280 -8.528 1.00 0.00 N ATOM 0 H HIS A 50 3.221 5.652 -9.083 1.00 0.00 H new ATOM 0 HA HIS A 50 5.758 6.491 -8.101 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.079 7.633 -9.738 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.278 8.240 -8.302 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.239 8.116 -8.895 1.00 0.00 H new ATOM 0 HE1 HIS A 50 6.074 12.106 -8.143 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.088 10.584 -8.560 1.00 0.00 H new ATOM 797 N ARG A 51 5.479 7.354 -5.713 1.00 0.00 N ATOM 798 CA ARG A 51 5.336 7.569 -4.241 1.00 0.00 C ATOM 799 C ARG A 51 4.567 8.865 -3.970 1.00 0.00 C ATOM 800 O ARG A 51 4.018 9.057 -2.904 1.00 0.00 O ATOM 801 CB ARG A 51 6.724 7.667 -3.605 1.00 0.00 C ATOM 802 CG ARG A 51 7.493 6.368 -3.853 1.00 0.00 C ATOM 803 CD ARG A 51 8.817 6.403 -3.087 1.00 0.00 C ATOM 804 NE ARG A 51 9.448 7.744 -3.250 1.00 0.00 N ATOM 805 CZ ARG A 51 10.455 8.087 -2.493 1.00 0.00 C ATOM 806 NH1 ARG A 51 10.914 7.254 -1.598 1.00 0.00 N ATOM 807 NH2 ARG A 51 11.005 9.263 -2.632 1.00 0.00 N ATOM 0 H ARG A 51 6.385 7.614 -6.103 1.00 0.00 H new ATOM 0 HA ARG A 51 4.788 6.730 -3.812 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.270 8.511 -4.027 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.633 7.849 -2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.897 5.514 -3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.681 6.242 -4.919 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.644 6.196 -2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.486 5.627 -3.459 1.00 0.00 H new ATOM 0 HE ARG A 51 9.093 8.393 -3.952 1.00 0.00 H new ATOM 0 HH11 ARG A 51 10.486 6.335 -1.490 1.00 0.00 H new ATOM 0 HH12 ARG A 51 11.701 7.523 -1.007 1.00 0.00 H new ATOM 0 HH21 ARG A 51 10.648 9.914 -3.332 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.792 9.531 -2.041 1.00 0.00 H new ATOM 821 N GLU A 52 4.528 9.758 -4.918 1.00 0.00 N ATOM 822 CA GLU A 52 3.799 11.039 -4.700 1.00 0.00 C ATOM 823 C GLU A 52 2.290 10.787 -4.708 1.00 0.00 C ATOM 824 O GLU A 52 1.540 11.435 -4.005 1.00 0.00 O ATOM 825 CB GLU A 52 4.161 12.028 -5.813 1.00 0.00 C ATOM 826 CG GLU A 52 3.659 13.427 -5.444 1.00 0.00 C ATOM 827 CD GLU A 52 3.779 14.352 -6.656 1.00 0.00 C ATOM 828 OE1 GLU A 52 2.844 14.398 -7.437 1.00 0.00 O ATOM 829 OE2 GLU A 52 4.806 14.999 -6.782 1.00 0.00 O ATOM 0 H GLU A 52 4.968 9.657 -5.833 1.00 0.00 H new ATOM 0 HA GLU A 52 4.086 11.456 -3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 52 5.241 12.046 -5.960 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.716 11.708 -6.755 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.621 13.377 -5.114 1.00 0.00 H new ATOM 0 HG3 GLU A 52 4.239 13.825 -4.612 1.00 0.00 H new ATOM 836 N ILE A 53 1.833 9.854 -5.499 1.00 0.00 N ATOM 837 CA ILE A 53 0.369 9.576 -5.547 1.00 0.00 C ATOM 838 C ILE A 53 -0.084 8.989 -4.211 1.00 0.00 C ATOM 839 O ILE A 53 -1.184 9.234 -3.755 1.00 0.00 O ATOM 840 CB ILE A 53 0.067 8.593 -6.682 1.00 0.00 C ATOM 841 CG1 ILE A 53 0.446 9.233 -8.023 1.00 0.00 C ATOM 842 CG2 ILE A 53 -1.428 8.253 -6.683 1.00 0.00 C ATOM 843 CD1 ILE A 53 0.426 8.170 -9.124 1.00 0.00 C ATOM 0 H ILE A 53 2.407 9.275 -6.111 1.00 0.00 H new ATOM 0 HA ILE A 53 -0.171 10.505 -5.730 1.00 0.00 H new ATOM 0 HB ILE A 53 0.645 7.681 -6.536 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.252 10.035 -8.265 1.00 0.00 H new ATOM 0 HG13 ILE A 53 1.437 9.683 -7.956 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.641 7.553 -7.491 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.699 7.799 -5.729 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.008 9.164 -6.829 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.696 8.627 -10.076 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.141 7.384 -8.884 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.573 7.741 -9.198 1.00 0.00 H new ATOM 855 N LEU A 54 0.757 8.230 -3.569 1.00 0.00 N ATOM 856 CA LEU A 54 0.373 7.650 -2.253 1.00 0.00 C ATOM 857 C LEU A 54 0.184 8.802 -1.262 1.00 0.00 C ATOM 858 O LEU A 54 -0.824 8.916 -0.593 1.00 0.00 O ATOM 859 CB LEU A 54 1.490 6.715 -1.764 1.00 0.00 C ATOM 860 CG LEU A 54 1.984 5.836 -2.919 1.00 0.00 C ATOM 861 CD1 LEU A 54 3.022 4.845 -2.386 1.00 0.00 C ATOM 862 CD2 LEU A 54 0.805 5.065 -3.529 1.00 0.00 C ATOM 0 H LEU A 54 1.692 7.986 -3.897 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.551 7.078 -2.340 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.317 7.302 -1.364 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.121 6.089 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 54 2.434 6.465 -3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.378 4.216 -3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.861 5.393 -1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.567 4.219 -1.618 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.163 4.442 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.349 4.434 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.065 5.771 -3.906 1.00 0.00 H new ATOM 874 N TYR A 55 1.153 9.664 -1.191 1.00 0.00 N ATOM 875 CA TYR A 55 1.049 10.827 -0.266 1.00 0.00 C ATOM 876 C TYR A 55 -0.202 11.623 -0.641 1.00 0.00 C ATOM 877 O TYR A 55 -0.877 12.179 0.202 1.00 0.00 O ATOM 878 CB TYR A 55 2.303 11.712 -0.390 1.00 0.00 C ATOM 879 CG TYR A 55 3.442 11.111 0.416 1.00 0.00 C ATOM 880 CD1 TYR A 55 3.339 11.033 1.812 1.00 0.00 C ATOM 881 CD2 TYR A 55 4.598 10.635 -0.225 1.00 0.00 C ATOM 882 CE1 TYR A 55 4.383 10.482 2.564 1.00 0.00 C ATOM 883 CE2 TYR A 55 5.641 10.083 0.530 1.00 0.00 C ATOM 884 CZ TYR A 55 5.532 10.008 1.922 1.00 0.00 C ATOM 885 OH TYR A 55 6.562 9.464 2.663 1.00 0.00 O ATOM 0 H TYR A 55 2.016 9.616 -1.733 1.00 0.00 H new ATOM 0 HA TYR A 55 0.977 10.484 0.766 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.594 11.801 -1.437 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.085 12.719 -0.033 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.452 11.399 2.308 1.00 0.00 H new ATOM 0 HD2 TYR A 55 4.683 10.695 -1.300 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.302 10.423 3.639 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.529 9.716 0.037 1.00 0.00 H new ATOM 0 HH TYR A 55 6.196 9.022 3.457 1.00 0.00 H new ATOM 895 N ASN A 56 -0.517 11.668 -1.905 1.00 0.00 N ATOM 896 CA ASN A 56 -1.721 12.411 -2.358 1.00 0.00 C ATOM 897 C ASN A 56 -2.987 11.671 -1.920 1.00 0.00 C ATOM 898 O ASN A 56 -4.053 12.247 -1.838 1.00 0.00 O ATOM 899 CB ASN A 56 -1.704 12.524 -3.885 1.00 0.00 C ATOM 900 CG ASN A 56 -0.412 13.208 -4.335 1.00 0.00 C ATOM 901 OD1 ASN A 56 0.148 14.010 -3.613 1.00 0.00 O ATOM 902 ND2 ASN A 56 0.088 12.926 -5.507 1.00 0.00 N ATOM 0 H ASN A 56 0.015 11.217 -2.649 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.715 13.406 -1.914 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.778 11.533 -4.334 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.568 13.094 -4.227 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.948 13.378 -5.817 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.381 12.253 -6.113 1.00 0.00 H new ATOM 909 N ASP A 57 -2.890 10.392 -1.657 1.00 0.00 N ATOM 910 CA ASP A 57 -4.104 9.636 -1.251 1.00 0.00 C ATOM 911 C ASP A 57 -4.759 10.320 -0.047 1.00 0.00 C ATOM 912 O ASP A 57 -5.929 10.647 -0.068 1.00 0.00 O ATOM 913 CB ASP A 57 -3.720 8.189 -0.903 1.00 0.00 C ATOM 914 CG ASP A 57 -4.958 7.290 -0.996 1.00 0.00 C ATOM 915 OD1 ASP A 57 -6.013 7.721 -0.561 1.00 0.00 O ATOM 916 OD2 ASP A 57 -4.830 6.191 -1.509 1.00 0.00 O ATOM 0 H ASP A 57 -2.029 9.847 -1.706 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.817 9.621 -2.076 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.948 7.833 -1.585 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.301 8.145 0.102 1.00 0.00 H new ATOM 921 N ILE A 58 -4.018 10.532 1.007 1.00 0.00 N ATOM 922 CA ILE A 58 -4.604 11.188 2.219 1.00 0.00 C ATOM 923 C ILE A 58 -4.587 12.709 2.048 1.00 0.00 C ATOM 924 O ILE A 58 -5.497 13.397 2.467 1.00 0.00 O ATOM 925 CB ILE A 58 -3.788 10.803 3.460 1.00 0.00 C ATOM 926 CG1 ILE A 58 -3.716 9.277 3.568 1.00 0.00 C ATOM 927 CG2 ILE A 58 -4.464 11.365 4.715 1.00 0.00 C ATOM 928 CD1 ILE A 58 -2.747 8.888 4.685 1.00 0.00 C ATOM 0 H ILE A 58 -3.032 10.281 1.084 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.634 10.852 2.343 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.782 11.214 3.372 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.706 8.870 3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -3.386 8.850 2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.883 11.090 5.595 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.521 12.451 4.642 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.470 10.954 4.802 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.697 7.802 4.761 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -1.756 9.283 4.461 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.097 9.302 5.631 1.00 0.00 H new ATOM 940 N TYR A 59 -3.562 13.244 1.443 1.00 0.00 N ATOM 941 CA TYR A 59 -3.499 14.725 1.258 1.00 0.00 C ATOM 942 C TYR A 59 -2.459 15.078 0.192 1.00 0.00 C ATOM 943 O TYR A 59 -1.384 14.513 0.152 1.00 0.00 O ATOM 944 CB TYR A 59 -3.116 15.387 2.587 1.00 0.00 C ATOM 945 CG TYR A 59 -1.714 14.973 2.980 1.00 0.00 C ATOM 946 CD1 TYR A 59 -0.612 15.663 2.459 1.00 0.00 C ATOM 947 CD2 TYR A 59 -1.514 13.902 3.860 1.00 0.00 C ATOM 948 CE1 TYR A 59 0.687 15.283 2.817 1.00 0.00 C ATOM 949 CE2 TYR A 59 -0.215 13.522 4.219 1.00 0.00 C ATOM 950 CZ TYR A 59 0.885 14.212 3.697 1.00 0.00 C ATOM 951 OH TYR A 59 2.166 13.838 4.051 1.00 0.00 O ATOM 0 H TYR A 59 -2.768 12.724 1.070 1.00 0.00 H new ATOM 0 HA TYR A 59 -4.475 15.087 0.934 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.172 16.472 2.493 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.822 15.097 3.365 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -0.765 16.489 1.780 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.363 13.369 4.262 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.536 15.816 2.415 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.062 12.697 4.899 1.00 0.00 H new ATOM 0 HH TYR A 59 2.126 13.079 4.669 1.00 0.00 H new ATOM 961 N SER A 60 -2.774 16.022 -0.665 1.00 0.00 N ATOM 962 CA SER A 60 -1.820 16.448 -1.744 1.00 0.00 C ATOM 963 C SER A 60 -1.503 17.934 -1.570 1.00 0.00 C ATOM 964 O SER A 60 -1.073 18.600 -2.491 1.00 0.00 O ATOM 965 CB SER A 60 -2.472 16.230 -3.109 1.00 0.00 C ATOM 966 OG SER A 60 -1.505 16.440 -4.129 1.00 0.00 O ATOM 0 H SER A 60 -3.663 16.522 -0.663 1.00 0.00 H new ATOM 0 HA SER A 60 -0.903 15.863 -1.679 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.874 15.219 -3.176 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.309 16.916 -3.239 1.00 0.00 H new ATOM 0 HG SER A 60 -0.789 15.776 -4.043 1.00 0.00 H new ATOM 972 N TRP A 61 -1.713 18.458 -0.394 1.00 0.00 N ATOM 973 CA TRP A 61 -1.427 19.899 -0.151 1.00 0.00 C ATOM 974 C TRP A 61 0.086 20.085 0.015 1.00 0.00 C ATOM 975 O TRP A 61 0.617 21.150 -0.226 1.00 0.00 O ATOM 976 CB TRP A 61 -2.163 20.341 1.122 1.00 0.00 C ATOM 977 CG TRP A 61 -1.729 21.716 1.521 1.00 0.00 C ATOM 978 CD1 TRP A 61 -0.550 22.008 2.111 1.00 0.00 C ATOM 979 CD2 TRP A 61 -2.440 22.978 1.376 1.00 0.00 C ATOM 980 NE1 TRP A 61 -0.488 23.372 2.338 1.00 0.00 N ATOM 981 CE2 TRP A 61 -1.631 24.014 1.901 1.00 0.00 C ATOM 982 CE3 TRP A 61 -3.696 23.323 0.844 1.00 0.00 C ATOM 983 CZ2 TRP A 61 -2.052 25.344 1.899 1.00 0.00 C ATOM 984 CZ3 TRP A 61 -4.123 24.663 0.840 1.00 0.00 C ATOM 985 CH2 TRP A 61 -3.301 25.670 1.367 1.00 0.00 C ATOM 0 H TRP A 61 -2.072 17.947 0.413 1.00 0.00 H new ATOM 0 HA TRP A 61 -1.769 20.505 -0.990 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -3.239 20.327 0.951 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.959 19.639 1.931 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.219 21.294 2.364 1.00 0.00 H new ATOM 0 HE1 TRP A 61 0.304 23.845 2.774 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -4.336 22.554 0.436 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -1.416 26.116 2.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.089 24.918 0.429 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.634 26.697 1.361 1.00 0.00 H new ATOM 996 N ASP A 62 0.778 19.051 0.417 1.00 0.00 N ATOM 997 CA ASP A 62 2.257 19.145 0.598 1.00 0.00 C ATOM 998 C ASP A 62 2.624 20.426 1.351 1.00 0.00 C ATOM 999 O ASP A 62 2.741 21.491 0.775 1.00 0.00 O ATOM 1000 CB ASP A 62 2.929 19.151 -0.767 1.00 0.00 C ATOM 1001 CG ASP A 62 2.745 17.789 -1.438 1.00 0.00 C ATOM 1002 OD1 ASP A 62 1.925 17.021 -0.963 1.00 0.00 O ATOM 1003 OD2 ASP A 62 3.430 17.535 -2.416 1.00 0.00 O ATOM 0 H ASP A 62 0.378 18.137 0.630 1.00 0.00 H new ATOM 0 HA ASP A 62 2.598 18.288 1.178 1.00 0.00 H new ATOM 0 HB2 ASP A 62 2.500 19.935 -1.391 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.991 19.374 -0.660 1.00 0.00 H new ATOM 1008 N ASN A 63 2.820 20.328 2.634 1.00 0.00 N ATOM 1009 CA ASN A 63 3.187 21.532 3.435 1.00 0.00 C ATOM 1010 C ASN A 63 4.679 21.832 3.245 1.00 0.00 C ATOM 1011 O ASN A 63 5.116 22.188 2.169 1.00 0.00 O ATOM 1012 CB ASN A 63 2.894 21.264 4.914 1.00 0.00 C ATOM 1013 CG ASN A 63 3.476 19.906 5.311 1.00 0.00 C ATOM 1014 OD1 ASN A 63 3.085 18.886 4.780 1.00 0.00 O ATOM 1015 ND2 ASN A 63 4.400 19.850 6.231 1.00 0.00 N ATOM 0 H ASN A 63 2.742 19.462 3.168 1.00 0.00 H new ATOM 0 HA ASN A 63 2.603 22.390 3.102 1.00 0.00 H new ATOM 0 HB2 ASN A 63 3.328 22.052 5.530 1.00 0.00 H new ATOM 0 HB3 ASN A 63 1.819 21.277 5.091 1.00 0.00 H new ATOM 0 HD21 ASN A 63 4.794 18.950 6.504 1.00 0.00 H new ATOM 0 HD22 ASN A 63 4.728 20.707 6.677 1.00 0.00 H new ATOM 1022 N GLU A 64 5.468 21.688 4.281 1.00 0.00 N ATOM 1023 CA GLU A 64 6.934 21.962 4.163 1.00 0.00 C ATOM 1024 C GLU A 64 7.695 21.083 5.162 1.00 0.00 C ATOM 1025 O GLU A 64 8.361 21.580 6.049 1.00 0.00 O ATOM 1026 CB GLU A 64 7.207 23.437 4.481 1.00 0.00 C ATOM 1027 CG GLU A 64 6.580 24.327 3.400 1.00 0.00 C ATOM 1028 CD GLU A 64 7.100 25.759 3.551 1.00 0.00 C ATOM 1029 OE1 GLU A 64 7.169 26.228 4.675 1.00 0.00 O ATOM 1030 OE2 GLU A 64 7.420 26.361 2.539 1.00 0.00 O ATOM 0 H GLU A 64 5.159 21.391 5.207 1.00 0.00 H new ATOM 0 HA GLU A 64 7.264 21.740 3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.794 23.690 5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 64 8.281 23.614 4.533 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.825 23.942 2.410 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.494 24.312 3.487 1.00 0.00 H new ATOM 1037 N PRO A 65 7.597 19.783 5.020 1.00 0.00 N ATOM 1038 CA PRO A 65 8.290 18.821 5.928 1.00 0.00 C ATOM 1039 C PRO A 65 9.784 18.693 5.599 1.00 0.00 C ATOM 1040 O PRO A 65 10.199 17.796 4.893 1.00 0.00 O ATOM 1041 CB PRO A 65 7.549 17.502 5.662 1.00 0.00 C ATOM 1042 CG PRO A 65 7.135 17.598 4.225 1.00 0.00 C ATOM 1043 CD PRO A 65 6.817 19.081 3.980 1.00 0.00 C ATOM 0 HA PRO A 65 8.262 19.133 6.972 1.00 0.00 H new ATOM 0 HB2 PRO A 65 8.194 16.641 5.834 1.00 0.00 H new ATOM 0 HB3 PRO A 65 6.686 17.390 6.319 1.00 0.00 H new ATOM 0 HG2 PRO A 65 7.931 17.254 3.565 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.264 16.973 4.026 1.00 0.00 H new ATOM 0 HD2 PRO A 65 7.112 19.394 2.979 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.750 19.283 4.075 1.00 0.00 H new ATOM 1051 N ALA A 66 10.592 19.582 6.108 1.00 0.00 N ATOM 1052 CA ALA A 66 12.052 19.510 5.825 1.00 0.00 C ATOM 1053 C ALA A 66 12.668 18.354 6.617 1.00 0.00 C ATOM 1054 O ALA A 66 13.596 17.707 6.170 1.00 0.00 O ATOM 1055 CB ALA A 66 12.719 20.824 6.241 1.00 0.00 C ATOM 0 H ALA A 66 10.304 20.355 6.708 1.00 0.00 H new ATOM 0 HA ALA A 66 12.207 19.345 4.759 1.00 0.00 H new ATOM 0 HB1 ALA A 66 13.788 20.771 6.034 1.00 0.00 H new ATOM 0 HB2 ALA A 66 12.281 21.648 5.679 1.00 0.00 H new ATOM 0 HB3 ALA A 66 12.564 20.989 7.307 1.00 0.00 H new ATOM 1061 N THR A 67 12.161 18.088 7.790 1.00 0.00 N ATOM 1062 CA THR A 67 12.718 16.974 8.608 1.00 0.00 C ATOM 1063 C THR A 67 12.271 15.635 8.019 1.00 0.00 C ATOM 1064 O THR A 67 11.217 15.527 7.426 1.00 0.00 O ATOM 1065 CB THR A 67 12.208 17.093 10.046 1.00 0.00 C ATOM 1066 OG1 THR A 67 12.416 18.420 10.511 1.00 0.00 O ATOM 1067 CG2 THR A 67 12.965 16.112 10.943 1.00 0.00 C ATOM 0 H THR A 67 11.385 18.594 8.217 1.00 0.00 H new ATOM 0 HA THR A 67 13.807 17.029 8.602 1.00 0.00 H new ATOM 0 HB THR A 67 11.144 16.859 10.075 1.00 0.00 H new ATOM 0 HG1 THR A 67 12.089 18.499 11.431 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.600 16.199 11.966 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.805 15.095 10.586 1.00 0.00 H new ATOM 0 HG23 THR A 67 14.030 16.343 10.917 1.00 0.00 H new ATOM 1075 N ASN A 68 13.068 14.611 8.175 1.00 0.00 N ATOM 1076 CA ASN A 68 12.689 13.279 7.624 1.00 0.00 C ATOM 1077 C ASN A 68 11.603 12.654 8.503 1.00 0.00 C ATOM 1078 O ASN A 68 11.767 12.508 9.698 1.00 0.00 O ATOM 1079 CB ASN A 68 13.918 12.368 7.605 1.00 0.00 C ATOM 1080 CG ASN A 68 15.002 12.990 6.722 1.00 0.00 C ATOM 1081 OD1 ASN A 68 14.722 13.849 5.911 1.00 0.00 O ATOM 1082 ND2 ASN A 68 16.239 12.590 6.849 1.00 0.00 N ATOM 0 H ASN A 68 13.965 14.640 8.660 1.00 0.00 H new ATOM 0 HA ASN A 68 12.310 13.399 6.609 1.00 0.00 H new ATOM 0 HB2 ASN A 68 14.295 12.228 8.618 1.00 0.00 H new ATOM 0 HB3 ASN A 68 13.647 11.382 7.227 1.00 0.00 H new ATOM 0 HD21 ASN A 68 16.970 12.999 6.267 1.00 0.00 H new ATOM 0 HD22 ASN A 68 16.474 11.868 7.530 1.00 0.00 H new ATOM 1089 N THR A 69 10.495 12.284 7.921 1.00 0.00 N ATOM 1090 CA THR A 69 9.398 11.669 8.719 1.00 0.00 C ATOM 1091 C THR A 69 8.388 11.019 7.774 1.00 0.00 C ATOM 1092 O THR A 69 7.896 9.936 8.021 1.00 0.00 O ATOM 1093 CB THR A 69 8.699 12.751 9.546 1.00 0.00 C ATOM 1094 OG1 THR A 69 9.646 13.380 10.400 1.00 0.00 O ATOM 1095 CG2 THR A 69 7.591 12.119 10.390 1.00 0.00 C ATOM 0 H THR A 69 10.302 12.382 6.924 1.00 0.00 H new ATOM 0 HA THR A 69 9.812 10.914 9.387 1.00 0.00 H new ATOM 0 HB THR A 69 8.263 13.492 8.876 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.460 12.836 10.443 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.095 12.892 10.978 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.864 11.639 9.735 1.00 0.00 H new ATOM 0 HG23 THR A 69 8.023 11.375 11.060 1.00 0.00 H new ATOM 1103 N LEU A 70 8.081 11.673 6.691 1.00 0.00 N ATOM 1104 CA LEU A 70 7.112 11.108 5.721 1.00 0.00 C ATOM 1105 C LEU A 70 7.677 9.802 5.158 1.00 0.00 C ATOM 1106 O LEU A 70 7.003 8.793 5.103 1.00 0.00 O ATOM 1107 CB LEU A 70 6.901 12.121 4.588 1.00 0.00 C ATOM 1108 CG LEU A 70 6.020 13.283 5.071 1.00 0.00 C ATOM 1109 CD1 LEU A 70 6.754 14.112 6.140 1.00 0.00 C ATOM 1110 CD2 LEU A 70 5.674 14.175 3.872 1.00 0.00 C ATOM 0 H LEU A 70 8.465 12.583 6.436 1.00 0.00 H new ATOM 0 HA LEU A 70 6.158 10.906 6.208 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.864 12.502 4.248 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.433 11.631 3.735 1.00 0.00 H new ATOM 0 HG LEU A 70 5.109 12.881 5.514 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.113 14.930 6.469 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.996 13.476 6.991 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.673 14.518 5.718 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.048 15.004 4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.592 14.566 3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.136 13.590 3.126 1.00 0.00 H new ATOM 1122 N GLU A 71 8.915 9.815 4.744 1.00 0.00 N ATOM 1123 CA GLU A 71 9.528 8.574 4.192 1.00 0.00 C ATOM 1124 C GLU A 71 9.754 7.576 5.325 1.00 0.00 C ATOM 1125 O GLU A 71 9.692 6.379 5.131 1.00 0.00 O ATOM 1126 CB GLU A 71 10.866 8.914 3.532 1.00 0.00 C ATOM 1127 CG GLU A 71 10.647 9.977 2.452 1.00 0.00 C ATOM 1128 CD GLU A 71 12.002 10.443 1.913 1.00 0.00 C ATOM 1129 OE1 GLU A 71 12.702 11.128 2.640 1.00 0.00 O ATOM 1130 OE2 GLU A 71 12.313 10.108 0.783 1.00 0.00 O ATOM 0 H GLU A 71 9.527 10.630 4.764 1.00 0.00 H new ATOM 0 HA GLU A 71 8.861 8.136 3.449 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.570 9.280 4.280 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.305 8.018 3.092 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.042 9.569 1.642 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.097 10.823 2.865 1.00 0.00 H new ATOM 1137 N VAL A 72 10.014 8.058 6.510 1.00 0.00 N ATOM 1138 CA VAL A 72 10.240 7.129 7.651 1.00 0.00 C ATOM 1139 C VAL A 72 8.911 6.513 8.068 1.00 0.00 C ATOM 1140 O VAL A 72 8.833 5.349 8.404 1.00 0.00 O ATOM 1141 CB VAL A 72 10.843 7.895 8.827 1.00 0.00 C ATOM 1142 CG1 VAL A 72 11.323 6.907 9.892 1.00 0.00 C ATOM 1143 CG2 VAL A 72 12.026 8.733 8.338 1.00 0.00 C ATOM 0 H VAL A 72 10.079 9.051 6.736 1.00 0.00 H new ATOM 0 HA VAL A 72 10.929 6.340 7.348 1.00 0.00 H new ATOM 0 HB VAL A 72 10.086 8.551 9.257 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.753 7.456 10.730 1.00 0.00 H new ATOM 0 HG12 VAL A 72 10.480 6.312 10.242 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.079 6.249 9.463 1.00 0.00 H new ATOM 0 HG21 VAL A 72 12.456 9.280 9.177 1.00 0.00 H new ATOM 0 HG22 VAL A 72 12.782 8.078 7.906 1.00 0.00 H new ATOM 0 HG23 VAL A 72 11.684 9.440 7.582 1.00 0.00 H new ATOM 1153 N HIS A 73 7.854 7.274 8.028 1.00 0.00 N ATOM 1154 CA HIS A 73 6.533 6.703 8.398 1.00 0.00 C ATOM 1155 C HIS A 73 6.289 5.495 7.499 1.00 0.00 C ATOM 1156 O HIS A 73 5.813 4.464 7.927 1.00 0.00 O ATOM 1157 CB HIS A 73 5.435 7.747 8.174 1.00 0.00 C ATOM 1158 CG HIS A 73 4.136 7.235 8.730 1.00 0.00 C ATOM 1159 ND1 HIS A 73 4.064 6.557 9.940 1.00 0.00 N ATOM 1160 CD2 HIS A 73 2.848 7.292 8.255 1.00 0.00 C ATOM 1161 CE1 HIS A 73 2.773 6.237 10.149 1.00 0.00 C ATOM 1162 NE2 HIS A 73 1.994 6.662 9.152 1.00 0.00 N ATOM 0 H HIS A 73 7.848 8.257 7.758 1.00 0.00 H new ATOM 0 HA HIS A 73 6.520 6.411 9.448 1.00 0.00 H new ATOM 0 HB2 HIS A 73 5.706 8.685 8.659 1.00 0.00 H new ATOM 0 HB3 HIS A 73 5.330 7.957 7.110 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.546 7.755 7.327 1.00 0.00 H new ATOM 0 HE1 HIS A 73 2.413 5.703 11.016 1.00 0.00 H new ATOM 0 HE2 HIS A 73 0.984 6.548 9.066 1.00 0.00 H new ATOM 1171 N ILE A 74 6.632 5.626 6.247 1.00 0.00 N ATOM 1172 CA ILE A 74 6.438 4.494 5.303 1.00 0.00 C ATOM 1173 C ILE A 74 7.335 3.339 5.738 1.00 0.00 C ATOM 1174 O ILE A 74 6.960 2.187 5.651 1.00 0.00 O ATOM 1175 CB ILE A 74 6.789 4.933 3.878 1.00 0.00 C ATOM 1176 CG1 ILE A 74 5.773 5.986 3.423 1.00 0.00 C ATOM 1177 CG2 ILE A 74 6.735 3.723 2.934 1.00 0.00 C ATOM 1178 CD1 ILE A 74 6.220 6.598 2.096 1.00 0.00 C ATOM 0 H ILE A 74 7.038 6.468 5.839 1.00 0.00 H new ATOM 0 HA ILE A 74 5.396 4.174 5.314 1.00 0.00 H new ATOM 0 HB ILE A 74 7.795 5.353 3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.789 5.530 3.311 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.679 6.765 4.180 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.985 4.040 1.922 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.450 2.970 3.266 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.731 3.299 2.944 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.494 7.346 1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.195 7.069 2.223 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.291 5.816 1.340 1.00 0.00 H new ATOM 1190 N HIS A 75 8.508 3.632 6.225 1.00 0.00 N ATOM 1191 CA HIS A 75 9.398 2.528 6.679 1.00 0.00 C ATOM 1192 C HIS A 75 8.720 1.834 7.861 1.00 0.00 C ATOM 1193 O HIS A 75 8.770 0.626 8.008 1.00 0.00 O ATOM 1194 CB HIS A 75 10.755 3.090 7.112 1.00 0.00 C ATOM 1195 CG HIS A 75 11.485 3.621 5.909 1.00 0.00 C ATOM 1196 ND1 HIS A 75 11.262 3.125 4.631 1.00 0.00 N ATOM 1197 CD2 HIS A 75 12.437 4.601 5.771 1.00 0.00 C ATOM 1198 CE1 HIS A 75 12.062 3.804 3.788 1.00 0.00 C ATOM 1199 NE2 HIS A 75 12.797 4.711 4.432 1.00 0.00 N ATOM 0 H HIS A 75 8.885 4.574 6.328 1.00 0.00 H new ATOM 0 HA HIS A 75 9.565 1.820 5.867 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.614 3.884 7.845 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.346 2.311 7.595 1.00 0.00 H new ATOM 0 HD2 HIS A 75 12.843 5.194 6.577 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.103 3.635 2.722 1.00 0.00 H new ATOM 0 HE2 HIS A 75 13.480 5.351 4.028 1.00 0.00 H new ATOM 1208 N ASN A 76 8.065 2.597 8.693 1.00 0.00 N ATOM 1209 CA ASN A 76 7.360 1.997 9.858 1.00 0.00 C ATOM 1210 C ASN A 76 6.182 1.170 9.348 1.00 0.00 C ATOM 1211 O ASN A 76 5.949 0.063 9.790 1.00 0.00 O ATOM 1212 CB ASN A 76 6.848 3.108 10.778 1.00 0.00 C ATOM 1213 CG ASN A 76 8.036 3.858 11.383 1.00 0.00 C ATOM 1214 OD1 ASN A 76 8.249 5.018 11.093 1.00 0.00 O ATOM 1215 ND2 ASN A 76 8.825 3.239 12.219 1.00 0.00 N ATOM 0 H ASN A 76 7.988 3.611 8.615 1.00 0.00 H new ATOM 0 HA ASN A 76 8.045 1.360 10.417 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.217 3.797 10.217 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.231 2.683 11.570 1.00 0.00 H new ATOM 0 HD21 ASN A 76 9.620 3.730 12.628 1.00 0.00 H new ATOM 0 HD22 ASN A 76 8.646 2.265 12.463 1.00 0.00 H new ATOM 1222 N LEU A 77 5.446 1.696 8.409 1.00 0.00 N ATOM 1223 CA LEU A 77 4.290 0.936 7.858 1.00 0.00 C ATOM 1224 C LEU A 77 4.821 -0.211 6.999 1.00 0.00 C ATOM 1225 O LEU A 77 4.204 -1.250 6.882 1.00 0.00 O ATOM 1226 CB LEU A 77 3.420 1.858 6.997 1.00 0.00 C ATOM 1227 CG LEU A 77 2.876 3.020 7.843 1.00 0.00 C ATOM 1228 CD1 LEU A 77 2.206 4.040 6.915 1.00 0.00 C ATOM 1229 CD2 LEU A 77 1.851 2.508 8.878 1.00 0.00 C ATOM 0 H LEU A 77 5.595 2.618 8.000 1.00 0.00 H new ATOM 0 HA LEU A 77 3.686 0.544 8.676 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.005 2.248 6.164 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.593 1.293 6.568 1.00 0.00 H new ATOM 0 HG LEU A 77 3.702 3.487 8.380 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.817 4.869 7.506 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.937 4.417 6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.387 3.561 6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.478 3.346 9.466 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.019 2.030 8.361 1.00 0.00 H new ATOM 0 HD23 LEU A 77 2.331 1.786 9.539 1.00 0.00 H new ATOM 1241 N ARG A 78 5.967 -0.031 6.396 1.00 0.00 N ATOM 1242 CA ARG A 78 6.546 -1.108 5.544 1.00 0.00 C ATOM 1243 C ARG A 78 6.565 -2.426 6.322 1.00 0.00 C ATOM 1244 O ARG A 78 6.142 -3.455 5.834 1.00 0.00 O ATOM 1245 CB ARG A 78 7.976 -0.730 5.154 1.00 0.00 C ATOM 1246 CG ARG A 78 8.530 -1.769 4.178 1.00 0.00 C ATOM 1247 CD ARG A 78 9.901 -1.314 3.672 1.00 0.00 C ATOM 1248 NE ARG A 78 10.888 -1.380 4.787 1.00 0.00 N ATOM 1249 CZ ARG A 78 12.126 -1.023 4.586 1.00 0.00 C ATOM 1250 NH1 ARG A 78 12.504 -0.608 3.407 1.00 0.00 N ATOM 1251 NH2 ARG A 78 12.988 -1.078 5.564 1.00 0.00 N ATOM 0 H ARG A 78 6.528 0.819 6.458 1.00 0.00 H new ATOM 0 HA ARG A 78 5.938 -1.226 4.647 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.990 0.259 4.696 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.605 -0.678 6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 78 8.616 -2.737 4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.845 -1.897 3.340 1.00 0.00 H new ATOM 0 HD2 ARG A 78 10.225 -1.948 2.847 1.00 0.00 H new ATOM 0 HD3 ARG A 78 9.839 -0.296 3.286 1.00 0.00 H new ATOM 0 HE ARG A 78 10.595 -1.705 5.708 1.00 0.00 H new ATOM 0 HH11 ARG A 78 11.831 -0.563 2.642 1.00 0.00 H new ATOM 0 HH12 ARG A 78 13.473 -0.329 3.251 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.694 -1.400 6.486 1.00 0.00 H new ATOM 0 HH22 ARG A 78 13.956 -0.799 5.407 1.00 0.00 H new ATOM 1265 N GLU A 79 7.065 -2.404 7.527 1.00 0.00 N ATOM 1266 CA GLU A 79 7.124 -3.658 8.336 1.00 0.00 C ATOM 1267 C GLU A 79 5.709 -4.173 8.630 1.00 0.00 C ATOM 1268 O GLU A 79 5.503 -5.353 8.836 1.00 0.00 O ATOM 1269 CB GLU A 79 7.843 -3.376 9.656 1.00 0.00 C ATOM 1270 CG GLU A 79 9.257 -2.864 9.368 1.00 0.00 C ATOM 1271 CD GLU A 79 10.103 -3.997 8.787 1.00 0.00 C ATOM 1272 OE1 GLU A 79 10.486 -4.872 9.546 1.00 0.00 O ATOM 1273 OE2 GLU A 79 10.355 -3.971 7.594 1.00 0.00 O ATOM 0 H GLU A 79 7.436 -1.573 7.988 1.00 0.00 H new ATOM 0 HA GLU A 79 7.666 -4.416 7.771 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.288 -2.637 10.234 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.889 -4.283 10.258 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.217 -2.030 8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.713 -2.489 10.284 1.00 0.00 H new ATOM 1280 N LYS A 80 4.734 -3.304 8.667 1.00 0.00 N ATOM 1281 CA LYS A 80 3.345 -3.756 8.965 1.00 0.00 C ATOM 1282 C LYS A 80 2.770 -4.530 7.773 1.00 0.00 C ATOM 1283 O LYS A 80 2.140 -5.555 7.934 1.00 0.00 O ATOM 1284 CB LYS A 80 2.463 -2.540 9.254 1.00 0.00 C ATOM 1285 CG LYS A 80 2.995 -1.806 10.489 1.00 0.00 C ATOM 1286 CD LYS A 80 1.986 -0.742 10.926 1.00 0.00 C ATOM 1287 CE LYS A 80 2.617 0.152 11.996 1.00 0.00 C ATOM 1288 NZ LYS A 80 1.595 1.108 12.508 1.00 0.00 N ATOM 0 H LYS A 80 4.840 -2.303 8.504 1.00 0.00 H new ATOM 0 HA LYS A 80 3.367 -4.411 9.836 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.456 -1.870 8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.433 -2.856 9.421 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.167 -2.514 11.300 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.955 -1.341 10.263 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.681 -0.141 10.069 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.087 -1.218 11.318 1.00 0.00 H new ATOM 0 HE2 LYS A 80 3.003 -0.457 12.813 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.463 0.697 11.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.022 1.716 13.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.247 1.697 11.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.801 0.579 12.922 1.00 0.00 H new ATOM 1302 N ILE A 81 2.963 -4.036 6.581 1.00 0.00 N ATOM 1303 CA ILE A 81 2.406 -4.731 5.383 1.00 0.00 C ATOM 1304 C ILE A 81 3.204 -6.006 5.111 1.00 0.00 C ATOM 1305 O ILE A 81 2.774 -6.871 4.372 1.00 0.00 O ATOM 1306 CB ILE A 81 2.494 -3.807 4.164 1.00 0.00 C ATOM 1307 CG1 ILE A 81 3.906 -3.225 4.066 1.00 0.00 C ATOM 1308 CG2 ILE A 81 1.481 -2.667 4.307 1.00 0.00 C ATOM 1309 CD1 ILE A 81 4.028 -2.359 2.807 1.00 0.00 C ATOM 0 H ILE A 81 3.482 -3.181 6.383 1.00 0.00 H new ATOM 0 HA ILE A 81 1.363 -4.988 5.570 1.00 0.00 H new ATOM 0 HB ILE A 81 2.271 -4.377 3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 81 4.125 -2.628 4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.639 -4.031 4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.546 -2.011 3.439 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.475 -3.081 4.375 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.700 -2.096 5.209 1.00 0.00 H new ATOM 0 HD11 ILE A 81 5.036 -1.948 2.744 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.829 -2.968 1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 81 3.306 -1.544 2.855 1.00 0.00 H new ATOM 1321 N GLY A 82 4.359 -6.138 5.699 1.00 0.00 N ATOM 1322 CA GLY A 82 5.175 -7.364 5.472 1.00 0.00 C ATOM 1323 C GLY A 82 5.822 -7.296 4.092 1.00 0.00 C ATOM 1324 O GLY A 82 5.329 -7.854 3.131 1.00 0.00 O ATOM 0 H GLY A 82 4.774 -5.450 6.327 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.942 -7.451 6.241 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.546 -8.251 5.547 1.00 0.00 H new ATOM 1328 N LYS A 83 6.928 -6.616 3.990 1.00 0.00 N ATOM 1329 CA LYS A 83 7.633 -6.497 2.679 1.00 0.00 C ATOM 1330 C LYS A 83 7.738 -7.877 2.015 1.00 0.00 C ATOM 1331 O LYS A 83 7.992 -7.993 0.833 1.00 0.00 O ATOM 1332 CB LYS A 83 9.039 -5.935 2.915 1.00 0.00 C ATOM 1333 CG LYS A 83 9.814 -5.890 1.593 1.00 0.00 C ATOM 1334 CD LYS A 83 11.095 -5.069 1.774 1.00 0.00 C ATOM 1335 CE LYS A 83 12.010 -5.269 0.563 1.00 0.00 C ATOM 1336 NZ LYS A 83 13.144 -4.304 0.633 1.00 0.00 N ATOM 0 H LYS A 83 7.380 -6.132 4.765 1.00 0.00 H new ATOM 0 HA LYS A 83 7.072 -5.829 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.973 -4.934 3.342 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.571 -6.555 3.637 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.061 -6.901 1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.195 -5.449 0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.849 -4.013 1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.609 -5.375 2.685 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.389 -6.291 0.545 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.448 -5.120 -0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.766 -4.439 -0.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.774 -3.332 0.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 13.685 -4.466 1.506 1.00 0.00 H new ATOM 1350 N SER A 84 7.561 -8.919 2.778 1.00 0.00 N ATOM 1351 CA SER A 84 7.668 -10.291 2.212 1.00 0.00 C ATOM 1352 C SER A 84 6.688 -10.462 1.052 1.00 0.00 C ATOM 1353 O SER A 84 7.055 -10.891 -0.024 1.00 0.00 O ATOM 1354 CB SER A 84 7.346 -11.315 3.301 1.00 0.00 C ATOM 1355 OG SER A 84 7.598 -12.623 2.805 1.00 0.00 O ATOM 0 H SER A 84 7.346 -8.878 3.774 1.00 0.00 H new ATOM 0 HA SER A 84 8.683 -10.445 1.846 1.00 0.00 H new ATOM 0 HB2 SER A 84 7.954 -11.126 4.186 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.303 -11.224 3.605 1.00 0.00 H new ATOM 0 HG SER A 84 7.394 -13.282 3.501 1.00 0.00 H new ATOM 1361 N ARG A 85 5.437 -10.148 1.260 1.00 0.00 N ATOM 1362 CA ARG A 85 4.427 -10.315 0.164 1.00 0.00 C ATOM 1363 C ARG A 85 4.387 -9.070 -0.726 1.00 0.00 C ATOM 1364 O ARG A 85 3.528 -8.946 -1.576 1.00 0.00 O ATOM 1365 CB ARG A 85 3.044 -10.544 0.780 1.00 0.00 C ATOM 1366 CG ARG A 85 3.128 -11.623 1.869 1.00 0.00 C ATOM 1367 CD ARG A 85 3.745 -12.909 1.301 1.00 0.00 C ATOM 1368 NE ARG A 85 3.407 -14.054 2.194 1.00 0.00 N ATOM 1369 CZ ARG A 85 3.593 -15.280 1.785 1.00 0.00 C ATOM 1370 NH1 ARG A 85 4.074 -15.504 0.591 1.00 0.00 N ATOM 1371 NH2 ARG A 85 3.299 -16.281 2.569 1.00 0.00 N ATOM 0 H ARG A 85 5.067 -9.784 2.138 1.00 0.00 H new ATOM 0 HA ARG A 85 4.710 -11.172 -0.446 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.668 -9.614 1.206 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.338 -10.849 0.007 1.00 0.00 H new ATOM 0 HG2 ARG A 85 3.729 -11.261 2.703 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.132 -11.832 2.261 1.00 0.00 H new ATOM 0 HD2 ARG A 85 3.368 -13.094 0.295 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.827 -12.802 1.221 1.00 0.00 H new ATOM 0 HE ARG A 85 3.030 -13.879 3.126 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.304 -14.721 -0.021 1.00 0.00 H new ATOM 0 HH12 ARG A 85 4.219 -16.462 0.271 1.00 0.00 H new ATOM 0 HH21 ARG A 85 2.924 -16.106 3.501 1.00 0.00 H new ATOM 0 HH22 ARG A 85 3.444 -17.239 2.250 1.00 0.00 H new ATOM 1385 N ILE A 86 5.314 -8.156 -0.549 1.00 0.00 N ATOM 1386 CA ILE A 86 5.346 -6.908 -1.391 1.00 0.00 C ATOM 1387 C ILE A 86 6.700 -6.836 -2.115 1.00 0.00 C ATOM 1388 O ILE A 86 7.630 -7.542 -1.779 1.00 0.00 O ATOM 1389 CB ILE A 86 5.180 -5.659 -0.491 1.00 0.00 C ATOM 1390 CG1 ILE A 86 4.149 -5.917 0.631 1.00 0.00 C ATOM 1391 CG2 ILE A 86 4.734 -4.457 -1.334 1.00 0.00 C ATOM 1392 CD1 ILE A 86 2.739 -6.115 0.057 1.00 0.00 C ATOM 0 H ILE A 86 6.057 -8.219 0.147 1.00 0.00 H new ATOM 0 HA ILE A 86 4.532 -6.935 -2.115 1.00 0.00 H new ATOM 0 HB ILE A 86 6.145 -5.443 -0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.440 -6.800 1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.147 -5.077 1.326 1.00 0.00 H new ATOM 0 HG21 ILE A 86 4.620 -3.584 -0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 86 5.484 -4.250 -2.098 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.781 -4.682 -1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.037 -6.294 0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 86 2.440 -5.221 -0.490 1.00 0.00 H new ATOM 0 HD13 ILE A 86 2.738 -6.971 -0.618 1.00 0.00 H new ATOM 1404 N ARG A 87 6.812 -5.982 -3.104 1.00 0.00 N ATOM 1405 CA ARG A 87 8.101 -5.848 -3.858 1.00 0.00 C ATOM 1406 C ARG A 87 8.341 -4.370 -4.173 1.00 0.00 C ATOM 1407 O ARG A 87 7.608 -3.758 -4.924 1.00 0.00 O ATOM 1408 CB ARG A 87 8.014 -6.642 -5.165 1.00 0.00 C ATOM 1409 CG ARG A 87 9.399 -6.719 -5.811 1.00 0.00 C ATOM 1410 CD ARG A 87 9.287 -7.393 -7.180 1.00 0.00 C ATOM 1411 NE ARG A 87 8.702 -8.754 -7.017 1.00 0.00 N ATOM 1412 CZ ARG A 87 9.417 -9.715 -6.496 1.00 0.00 C ATOM 1413 NH1 ARG A 87 10.644 -9.483 -6.115 1.00 0.00 N ATOM 1414 NH2 ARG A 87 8.903 -10.906 -6.356 1.00 0.00 N ATOM 0 H ARG A 87 6.063 -5.368 -3.424 1.00 0.00 H new ATOM 0 HA ARG A 87 8.923 -6.236 -3.256 1.00 0.00 H new ATOM 0 HB2 ARG A 87 7.637 -7.646 -4.968 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.310 -6.165 -5.846 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.817 -5.718 -5.920 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.079 -7.281 -5.172 1.00 0.00 H new ATOM 0 HD2 ARG A 87 8.662 -6.794 -7.842 1.00 0.00 H new ATOM 0 HD3 ARG A 87 10.270 -7.461 -7.645 1.00 0.00 H new ATOM 0 HE ARG A 87 7.743 -8.935 -7.312 1.00 0.00 H new ATOM 0 HH11 ARG A 87 11.044 -8.551 -6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.202 -10.234 -5.708 1.00 0.00 H new ATOM 0 HH21 ARG A 87 7.944 -11.086 -6.653 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.460 -11.657 -5.949 1.00 0.00 H new ATOM 1428 N THR A 88 9.364 -3.788 -3.600 1.00 0.00 N ATOM 1429 CA THR A 88 9.657 -2.346 -3.858 1.00 0.00 C ATOM 1430 C THR A 88 10.524 -2.215 -5.112 1.00 0.00 C ATOM 1431 O THR A 88 11.449 -2.977 -5.317 1.00 0.00 O ATOM 1432 CB THR A 88 10.411 -1.762 -2.658 1.00 0.00 C ATOM 1433 OG1 THR A 88 11.787 -2.105 -2.757 1.00 0.00 O ATOM 1434 CG2 THR A 88 9.834 -2.333 -1.362 1.00 0.00 C ATOM 0 H THR A 88 10.011 -4.252 -2.962 1.00 0.00 H new ATOM 0 HA THR A 88 8.722 -1.805 -4.005 1.00 0.00 H new ATOM 0 HB THR A 88 10.303 -0.677 -2.653 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.273 -1.732 -1.992 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.371 -1.917 -0.510 1.00 0.00 H new ATOM 0 HG22 THR A 88 8.778 -2.072 -1.288 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.941 -3.418 -1.363 1.00 0.00 H new ATOM 1442 N VAL A 89 10.233 -1.247 -5.950 1.00 0.00 N ATOM 1443 CA VAL A 89 11.035 -1.042 -7.200 1.00 0.00 C ATOM 1444 C VAL A 89 11.925 0.189 -7.030 1.00 0.00 C ATOM 1445 O VAL A 89 11.521 1.301 -7.306 1.00 0.00 O ATOM 1446 CB VAL A 89 10.085 -0.816 -8.377 1.00 0.00 C ATOM 1447 CG1 VAL A 89 10.894 -0.655 -9.665 1.00 0.00 C ATOM 1448 CG2 VAL A 89 9.147 -2.018 -8.513 1.00 0.00 C ATOM 0 H VAL A 89 9.468 -0.585 -5.820 1.00 0.00 H new ATOM 0 HA VAL A 89 11.652 -1.920 -7.389 1.00 0.00 H new ATOM 0 HB VAL A 89 9.499 0.086 -8.201 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.216 -0.494 -10.503 1.00 0.00 H new ATOM 0 HG12 VAL A 89 11.563 0.200 -9.570 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.481 -1.557 -9.841 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.469 -1.858 -9.352 1.00 0.00 H new ATOM 0 HG22 VAL A 89 9.734 -2.920 -8.688 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.569 -2.134 -7.596 1.00 0.00 H new ATOM 1458 N ARG A 90 13.136 0.000 -6.575 1.00 0.00 N ATOM 1459 CA ARG A 90 14.056 1.159 -6.384 1.00 0.00 C ATOM 1460 C ARG A 90 13.349 2.253 -5.580 1.00 0.00 C ATOM 1461 O ARG A 90 12.218 2.099 -5.163 1.00 0.00 O ATOM 1462 CB ARG A 90 14.469 1.713 -7.750 1.00 0.00 C ATOM 1463 CG ARG A 90 15.388 0.712 -8.451 1.00 0.00 C ATOM 1464 CD ARG A 90 15.660 1.179 -9.881 1.00 0.00 C ATOM 1465 NE ARG A 90 16.485 0.160 -10.590 1.00 0.00 N ATOM 1466 CZ ARG A 90 16.900 0.387 -11.806 1.00 0.00 C ATOM 1467 NH1 ARG A 90 16.593 1.505 -12.404 1.00 0.00 N ATOM 1468 NH2 ARG A 90 17.623 -0.506 -12.425 1.00 0.00 N ATOM 0 H ARG A 90 13.528 -0.909 -6.327 1.00 0.00 H new ATOM 0 HA ARG A 90 14.942 0.830 -5.841 1.00 0.00 H new ATOM 0 HB2 ARG A 90 13.586 1.901 -8.360 1.00 0.00 H new ATOM 0 HB3 ARG A 90 14.980 2.668 -7.627 1.00 0.00 H new ATOM 0 HG2 ARG A 90 16.326 0.619 -7.904 1.00 0.00 H new ATOM 0 HG3 ARG A 90 14.926 -0.275 -8.462 1.00 0.00 H new ATOM 0 HD2 ARG A 90 14.719 1.332 -10.410 1.00 0.00 H new ATOM 0 HD3 ARG A 90 16.179 2.138 -9.869 1.00 0.00 H new ATOM 0 HE ARG A 90 16.725 -0.715 -10.124 1.00 0.00 H new ATOM 0 HH11 ARG A 90 16.028 2.203 -11.921 1.00 0.00 H new ATOM 0 HH12 ARG A 90 16.918 1.681 -13.355 1.00 0.00 H new ATOM 0 HH21 ARG A 90 17.863 -1.381 -11.958 1.00 0.00 H new ATOM 0 HH22 ARG A 90 17.948 -0.329 -13.376 1.00 0.00 H new ATOM 1482 N GLY A 91 14.006 3.361 -5.357 1.00 0.00 N ATOM 1483 CA GLY A 91 13.373 4.470 -4.579 1.00 0.00 C ATOM 1484 C GLY A 91 12.525 5.331 -5.518 1.00 0.00 C ATOM 1485 O GLY A 91 12.720 6.525 -5.618 1.00 0.00 O ATOM 0 H GLY A 91 14.955 3.547 -5.680 1.00 0.00 H new ATOM 0 HA2 GLY A 91 12.752 4.061 -3.782 1.00 0.00 H new ATOM 0 HA3 GLY A 91 14.141 5.080 -4.103 1.00 0.00 H new ATOM 1489 N PHE A 92 11.588 4.726 -6.214 1.00 0.00 N ATOM 1490 CA PHE A 92 10.717 5.488 -7.162 1.00 0.00 C ATOM 1491 C PHE A 92 9.256 5.064 -6.973 1.00 0.00 C ATOM 1492 O PHE A 92 8.349 5.851 -7.162 1.00 0.00 O ATOM 1493 CB PHE A 92 11.162 5.194 -8.603 1.00 0.00 C ATOM 1494 CG PHE A 92 10.153 5.756 -9.584 1.00 0.00 C ATOM 1495 CD1 PHE A 92 9.068 4.972 -9.991 1.00 0.00 C ATOM 1496 CD2 PHE A 92 10.300 7.059 -10.076 1.00 0.00 C ATOM 1497 CE1 PHE A 92 8.128 5.490 -10.890 1.00 0.00 C ATOM 1498 CE2 PHE A 92 9.361 7.576 -10.977 1.00 0.00 C ATOM 1499 CZ PHE A 92 8.275 6.792 -11.383 1.00 0.00 C ATOM 0 H PHE A 92 11.390 3.727 -6.163 1.00 0.00 H new ATOM 0 HA PHE A 92 10.806 6.556 -6.964 1.00 0.00 H new ATOM 0 HB2 PHE A 92 12.143 5.633 -8.786 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.263 4.118 -8.749 1.00 0.00 H new ATOM 0 HD1 PHE A 92 8.956 3.967 -9.612 1.00 0.00 H new ATOM 0 HD2 PHE A 92 11.137 7.665 -9.761 1.00 0.00 H new ATOM 0 HE1 PHE A 92 7.290 4.885 -11.203 1.00 0.00 H new ATOM 0 HE2 PHE A 92 9.475 8.580 -11.359 1.00 0.00 H new ATOM 0 HZ PHE A 92 7.550 7.192 -12.077 1.00 0.00 H new ATOM 1509 N GLY A 93 9.009 3.833 -6.615 1.00 0.00 N ATOM 1510 CA GLY A 93 7.593 3.401 -6.438 1.00 0.00 C ATOM 1511 C GLY A 93 7.523 2.032 -5.765 1.00 0.00 C ATOM 1512 O GLY A 93 8.514 1.495 -5.310 1.00 0.00 O ATOM 0 H GLY A 93 9.714 3.117 -6.440 1.00 0.00 H new ATOM 0 HA2 GLY A 93 7.057 4.135 -5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.097 3.360 -7.408 1.00 0.00 H new ATOM 1516 N TYR A 94 6.339 1.467 -5.705 1.00 0.00 N ATOM 1517 CA TYR A 94 6.143 0.123 -5.073 1.00 0.00 C ATOM 1518 C TYR A 94 5.361 -0.758 -6.049 1.00 0.00 C ATOM 1519 O TYR A 94 4.662 -0.271 -6.915 1.00 0.00 O ATOM 1520 CB TYR A 94 5.346 0.286 -3.761 1.00 0.00 C ATOM 1521 CG TYR A 94 6.294 0.589 -2.616 1.00 0.00 C ATOM 1522 CD1 TYR A 94 6.920 1.837 -2.546 1.00 0.00 C ATOM 1523 CD2 TYR A 94 6.550 -0.380 -1.634 1.00 0.00 C ATOM 1524 CE1 TYR A 94 7.801 2.119 -1.497 1.00 0.00 C ATOM 1525 CE2 TYR A 94 7.430 -0.097 -0.586 1.00 0.00 C ATOM 1526 CZ TYR A 94 8.057 1.152 -0.516 1.00 0.00 C ATOM 1527 OH TYR A 94 8.926 1.432 0.519 1.00 0.00 O ATOM 0 H TYR A 94 5.487 1.889 -6.074 1.00 0.00 H new ATOM 0 HA TYR A 94 7.106 -0.335 -4.847 1.00 0.00 H new ATOM 0 HB2 TYR A 94 4.618 1.091 -3.865 1.00 0.00 H new ATOM 0 HB3 TYR A 94 4.786 -0.625 -3.550 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.723 2.583 -3.302 1.00 0.00 H new ATOM 0 HD2 TYR A 94 6.067 -1.344 -1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.285 3.083 -1.443 1.00 0.00 H new ATOM 0 HE2 TYR A 94 7.626 -0.843 0.170 1.00 0.00 H new ATOM 0 HH TYR A 94 8.990 0.654 1.112 1.00 0.00 H new ATOM 1537 N MET A 95 5.473 -2.051 -5.916 1.00 0.00 N ATOM 1538 CA MET A 95 4.739 -2.964 -6.846 1.00 0.00 C ATOM 1539 C MET A 95 4.465 -4.297 -6.151 1.00 0.00 C ATOM 1540 O MET A 95 5.332 -4.885 -5.537 1.00 0.00 O ATOM 1541 CB MET A 95 5.590 -3.200 -8.099 1.00 0.00 C ATOM 1542 CG MET A 95 4.919 -4.239 -9.004 1.00 0.00 C ATOM 1543 SD MET A 95 5.713 -4.220 -10.632 1.00 0.00 S ATOM 1544 CE MET A 95 7.034 -5.401 -10.263 1.00 0.00 C ATOM 0 H MET A 95 6.039 -2.517 -5.206 1.00 0.00 H new ATOM 0 HA MET A 95 3.790 -2.509 -7.130 1.00 0.00 H new ATOM 0 HB2 MET A 95 5.720 -2.264 -8.642 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.584 -3.543 -7.813 1.00 0.00 H new ATOM 0 HG2 MET A 95 4.999 -5.231 -8.559 1.00 0.00 H new ATOM 0 HG3 MET A 95 3.856 -4.019 -9.103 1.00 0.00 H new ATOM 0 HE1 MET A 95 7.656 -5.540 -11.148 1.00 0.00 H new ATOM 0 HE2 MET A 95 7.646 -5.019 -9.446 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.597 -6.357 -9.973 1.00 0.00 H new ATOM 1554 N LEU A 96 3.254 -4.776 -6.252 1.00 0.00 N ATOM 1555 CA LEU A 96 2.890 -6.077 -5.608 1.00 0.00 C ATOM 1556 C LEU A 96 3.124 -7.216 -6.610 1.00 0.00 C ATOM 1557 O LEU A 96 2.930 -7.058 -7.798 1.00 0.00 O ATOM 1558 CB LEU A 96 1.404 -6.033 -5.196 1.00 0.00 C ATOM 1559 CG LEU A 96 1.253 -5.387 -3.810 1.00 0.00 C ATOM 1560 CD1 LEU A 96 1.870 -3.986 -3.808 1.00 0.00 C ATOM 1561 CD2 LEU A 96 -0.234 -5.283 -3.465 1.00 0.00 C ATOM 0 H LEU A 96 2.494 -4.320 -6.756 1.00 0.00 H new ATOM 0 HA LEU A 96 3.505 -6.246 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.832 -5.468 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.994 -7.043 -5.181 1.00 0.00 H new ATOM 0 HG LEU A 96 1.767 -6.002 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 96 1.756 -3.540 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.929 -4.055 -4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.364 -3.365 -4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.348 -4.825 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.739 -4.670 -4.212 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.676 -6.279 -3.455 1.00 0.00 H new ATOM 1573 N ALA A 97 3.536 -8.362 -6.136 1.00 0.00 N ATOM 1574 CA ALA A 97 3.778 -9.504 -7.061 1.00 0.00 C ATOM 1575 C ALA A 97 2.459 -9.909 -7.723 1.00 0.00 C ATOM 1576 O ALA A 97 1.604 -10.512 -7.107 1.00 0.00 O ATOM 1577 CB ALA A 97 4.339 -10.689 -6.273 1.00 0.00 C ATOM 0 H ALA A 97 3.715 -8.555 -5.150 1.00 0.00 H new ATOM 0 HA ALA A 97 4.494 -9.207 -7.827 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.516 -11.525 -6.950 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.278 -10.400 -5.800 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.624 -10.988 -5.507 1.00 0.00 H new ATOM 1583 N ASN A 98 2.287 -9.580 -8.974 1.00 0.00 N ATOM 1584 CA ASN A 98 1.024 -9.945 -9.676 1.00 0.00 C ATOM 1585 C ASN A 98 0.952 -11.465 -9.837 1.00 0.00 C ATOM 1586 O ASN A 98 1.046 -11.988 -10.929 1.00 0.00 O ATOM 1587 CB ASN A 98 0.997 -9.283 -11.054 1.00 0.00 C ATOM 1588 CG ASN A 98 -0.355 -9.545 -11.722 1.00 0.00 C ATOM 1589 OD1 ASN A 98 -1.149 -10.321 -11.228 1.00 0.00 O ATOM 1590 ND2 ASN A 98 -0.652 -8.928 -12.833 1.00 0.00 N ATOM 0 H ASN A 98 2.967 -9.074 -9.541 1.00 0.00 H new ATOM 0 HA ASN A 98 0.170 -9.601 -9.092 1.00 0.00 H new ATOM 0 HB2 ASN A 98 1.164 -8.210 -10.957 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.803 -9.676 -11.674 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -1.550 -9.097 -13.286 1.00 0.00 H new ATOM 0 HD22 ASN A 98 0.014 -8.276 -13.248 1.00 0.00 H new ATOM 1597 N ASN A 99 0.788 -12.178 -8.755 1.00 0.00 N ATOM 1598 CA ASN A 99 0.709 -13.666 -8.840 1.00 0.00 C ATOM 1599 C ASN A 99 1.900 -14.200 -9.640 1.00 0.00 C ATOM 1600 O ASN A 99 1.761 -15.087 -10.459 1.00 0.00 O ATOM 1601 CB ASN A 99 -0.595 -14.073 -9.529 1.00 0.00 C ATOM 1602 CG ASN A 99 -1.785 -13.596 -8.694 1.00 0.00 C ATOM 1603 OD1 ASN A 99 -2.511 -14.395 -8.138 1.00 0.00 O ATOM 1604 ND2 ASN A 99 -2.017 -12.317 -8.583 1.00 0.00 N ATOM 0 H ASN A 99 0.705 -11.794 -7.814 1.00 0.00 H new ATOM 0 HA ASN A 99 0.732 -14.086 -7.834 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -0.641 -13.640 -10.528 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -0.632 -15.156 -9.649 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -2.808 -11.988 -8.029 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.407 -11.646 -9.050 1.00 0.00 H new ATOM 1611 N ILE A 100 3.069 -13.668 -9.408 1.00 0.00 N ATOM 1612 CA ILE A 100 4.272 -14.144 -10.154 1.00 0.00 C ATOM 1613 C ILE A 100 4.724 -15.474 -9.561 1.00 0.00 C ATOM 1614 O ILE A 100 5.538 -16.180 -10.121 1.00 0.00 O ATOM 1615 CB ILE A 100 5.402 -13.112 -10.031 1.00 0.00 C ATOM 1616 CG1 ILE A 100 4.875 -11.724 -10.420 1.00 0.00 C ATOM 1617 CG2 ILE A 100 6.556 -13.504 -10.964 1.00 0.00 C ATOM 1618 CD1 ILE A 100 5.932 -10.662 -10.106 1.00 0.00 C ATOM 0 H ILE A 100 3.245 -12.923 -8.733 1.00 0.00 H new ATOM 0 HA ILE A 100 4.025 -14.273 -11.208 1.00 0.00 H new ATOM 0 HB ILE A 100 5.760 -13.087 -9.002 1.00 0.00 H new ATOM 0 HG12 ILE A 100 4.629 -11.703 -11.482 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.956 -11.508 -9.875 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.359 -12.772 -10.877 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.931 -14.489 -10.685 1.00 0.00 H new ATOM 0 HG23 ILE A 100 6.199 -13.530 -11.993 1.00 0.00 H new ATOM 0 HD11 ILE A 100 5.553 -9.678 -10.384 1.00 0.00 H new ATOM 0 HD12 ILE A 100 6.157 -10.676 -9.039 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.840 -10.874 -10.671 1.00 0.00 H new ATOM 1630 N ASP A 101 4.188 -15.815 -8.432 1.00 0.00 N ATOM 1631 CA ASP A 101 4.566 -17.100 -7.780 1.00 0.00 C ATOM 1632 C ASP A 101 4.111 -18.266 -8.655 1.00 0.00 C ATOM 1633 O ASP A 101 4.834 -19.220 -8.865 1.00 0.00 O ATOM 1634 CB ASP A 101 3.893 -17.195 -6.409 1.00 0.00 C ATOM 1635 CG ASP A 101 4.418 -16.081 -5.503 1.00 0.00 C ATOM 1636 OD1 ASP A 101 4.523 -14.960 -5.975 1.00 0.00 O ATOM 1637 OD2 ASP A 101 4.707 -16.366 -4.352 1.00 0.00 O ATOM 0 H ASP A 101 3.499 -15.259 -7.925 1.00 0.00 H new ATOM 0 HA ASP A 101 5.648 -17.140 -7.655 1.00 0.00 H new ATOM 0 HB2 ASP A 101 2.812 -17.111 -6.517 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.094 -18.168 -5.960 1.00 0.00 H new ATOM 1642 N THR A 102 2.915 -18.195 -9.170 1.00 0.00 N ATOM 1643 CA THR A 102 2.402 -19.296 -10.036 1.00 0.00 C ATOM 1644 C THR A 102 2.989 -19.152 -11.442 1.00 0.00 C ATOM 1645 O THR A 102 2.282 -19.200 -12.429 1.00 0.00 O ATOM 1646 CB THR A 102 0.875 -19.214 -10.112 1.00 0.00 C ATOM 1647 OG1 THR A 102 0.502 -18.086 -10.891 1.00 0.00 O ATOM 1648 CG2 THR A 102 0.299 -19.075 -8.702 1.00 0.00 C ATOM 0 H THR A 102 2.268 -17.419 -9.028 1.00 0.00 H new ATOM 0 HA THR A 102 2.695 -20.258 -9.615 1.00 0.00 H new ATOM 0 HB THR A 102 0.484 -20.121 -10.574 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.692 -18.264 -11.836 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.788 -19.017 -8.757 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.586 -19.940 -8.105 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.688 -18.169 -8.238 1.00 0.00 H new ATOM 1656 N GLU A 103 4.279 -18.973 -11.540 1.00 0.00 N ATOM 1657 CA GLU A 103 4.913 -18.826 -12.881 1.00 0.00 C ATOM 1658 C GLU A 103 4.202 -17.721 -13.666 1.00 0.00 C ATOM 1659 O GLU A 103 4.640 -16.585 -13.581 1.00 0.00 O ATOM 1660 CB GLU A 103 4.803 -20.146 -13.647 1.00 0.00 C ATOM 1661 CG GLU A 103 5.306 -21.292 -12.765 1.00 0.00 C ATOM 1662 CD GLU A 103 5.306 -22.592 -13.569 1.00 0.00 C ATOM 1663 OE1 GLU A 103 4.233 -23.034 -13.945 1.00 0.00 O ATOM 1664 OE2 GLU A 103 6.380 -23.125 -13.796 1.00 0.00 O ATOM 1665 OXT GLU A 103 3.231 -18.029 -14.339 1.00 0.00 O ATOM 0 H GLU A 103 4.921 -18.922 -10.749 1.00 0.00 H new ATOM 0 HA GLU A 103 5.964 -18.564 -12.757 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.768 -20.325 -13.938 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.388 -20.096 -14.565 1.00 0.00 H new ATOM 0 HG2 GLU A 103 6.312 -21.074 -12.406 1.00 0.00 H new ATOM 0 HG3 GLU A 103 4.669 -21.395 -11.886 1.00 0.00 H new TER 1672 GLU A 103