USER MOD reduce.3.24.130724 H: found=0, std=0, add=966, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 961 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 85 GLN : amide:sc= 2.17 K(o=2.8,f=-3.7!) USER MOD Set 1.2: A 125 SER OG : rot 27:sc= 0.621 USER MOD Set 2.1: A 57 SER OG : rot 180:sc= 0.39 USER MOD Set 2.2: A 105 LYS NZ :NH3+ 162:sc= 0.421 (180deg=0) USER MOD Set 3.1: A 77 ASN : amide:sc= 2.26 K(o=3.5,f=-4.6!) USER MOD Set 3.2: A 79 SER OG : rot 83:sc= 1.22 USER MOD Set 4.1: A 21 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 113 CYS SG : rot -26:sc= 0.659 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -107:sc= 0.0352 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0573 X(o=-0.057,f=-0.057) USER MOD Single : A 6 GLN : amide:sc= 2.1 K(o=2.1,f=-4!) USER MOD Single : A 9 LYS NZ :NH3+ 162:sc= 1.23 (180deg=1.16) USER MOD Single : A 23 HIS : no HE2:sc= -0.143 X(o=-0.14,f=-0.56) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HE2:sc= -0.279 X(o=-0.28,f=-0.73) USER MOD Single : A 40 SER OG : rot 180:sc= 0.0963 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 13:sc= 1.14 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 18:sc= 1.22 USER MOD Single : A 56 ASN : amide:sc= 0.232 K(o=0.23,f=-3.1!) USER MOD Single : A 61 LYS NZ :NH3+ 155:sc= 1.2 (180deg=0.38) USER MOD Single : A 72 CYS SG : rot 70:sc= 0.131 USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 164:sc= 1.17 USER MOD Single : A 78 ASN : amide:sc= 1.29 K(o=1.3,f=-0.011) USER MOD Single : A 82 HIS : no HE2:sc= 1.14 K(o=1.1,f=-3.5!) USER MOD Single : A 84 TYR OH : rot 30:sc= 0 USER MOD Single : A 94 SER OG : rot -86:sc= 1.16 USER MOD Single : A 95 SER OG : rot -167:sc= 0.383 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl -165:sc= -0.0193 (180deg=-0.291) USER MOD Single : A 102 GLN : amide:sc= -0.0475 X(o=-0.048,f=-0.048) USER MOD Single : A 103 LYS NZ :NH3+ 140:sc= 1.26 (180deg=0.663) USER MOD Single : A 104 MET CE :methyl 169:sc= 0 (180deg=-0.223) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0.0427 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 115 HIS : no HD1:sc=-0.00504 X(o=-0.005,f=0) USER MOD Single : A 118 THR OG1 : rot 154:sc= 1.44 USER MOD Single : A 119 GLN : amide:sc= 0.343 X(o=0.34,f=0) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.293 -13.902 -6.838 1.00 0.00 N ATOM 2 CA MET A 1 14.648 -12.564 -6.670 1.00 0.00 C ATOM 3 C MET A 1 14.463 -12.221 -5.185 1.00 0.00 C ATOM 4 O MET A 1 14.350 -13.117 -4.346 1.00 0.00 O ATOM 5 CB MET A 1 13.288 -12.468 -7.403 1.00 0.00 C ATOM 6 CG MET A 1 13.415 -12.525 -8.932 1.00 0.00 C ATOM 7 SD MET A 1 11.836 -12.314 -9.806 1.00 0.00 S ATOM 8 CE MET A 1 12.416 -12.444 -11.520 1.00 0.00 C ATOM 0 H1 MET A 1 16.277 -13.776 -7.150 1.00 0.00 H new ATOM 0 H2 MET A 1 15.280 -14.410 -5.931 1.00 0.00 H new ATOM 0 H3 MET A 1 14.771 -14.452 -7.550 1.00 0.00 H new ATOM 0 HA MET A 1 15.323 -11.839 -7.124 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.645 -13.282 -7.068 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.796 -11.537 -7.121 1.00 0.00 H new ATOM 0 HG2 MET A 1 14.107 -11.749 -9.259 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.852 -13.482 -9.216 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.570 -12.336 -12.199 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.143 -11.657 -11.719 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.883 -13.417 -11.673 1.00 0.00 H new ATOM 20 N ALA A 2 14.412 -10.925 -4.848 1.00 0.00 N ATOM 21 CA ALA A 2 14.172 -10.433 -3.484 1.00 0.00 C ATOM 22 C ALA A 2 12.700 -10.590 -3.042 1.00 0.00 C ATOM 23 O ALA A 2 11.789 -10.663 -3.871 1.00 0.00 O ATOM 24 CB ALA A 2 14.632 -8.970 -3.411 1.00 0.00 C ATOM 0 H ALA A 2 14.539 -10.175 -5.528 1.00 0.00 H new ATOM 0 HA ALA A 2 14.748 -11.040 -2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 2 14.462 -8.585 -2.405 1.00 0.00 H new ATOM 0 HB2 ALA A 2 15.694 -8.910 -3.648 1.00 0.00 H new ATOM 0 HB3 ALA A 2 14.066 -8.375 -4.128 1.00 0.00 H new ATOM 30 N SER A 3 12.459 -10.618 -1.731 1.00 0.00 N ATOM 31 CA SER A 3 11.115 -10.757 -1.145 1.00 0.00 C ATOM 32 C SER A 3 10.246 -9.488 -1.332 1.00 0.00 C ATOM 33 O SER A 3 10.783 -8.371 -1.317 1.00 0.00 O ATOM 34 CB SER A 3 11.226 -11.080 0.356 1.00 0.00 C ATOM 35 OG SER A 3 11.973 -12.271 0.581 1.00 0.00 O ATOM 0 H SER A 3 13.198 -10.544 -1.032 1.00 0.00 H new ATOM 0 HA SER A 3 10.623 -11.573 -1.675 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.702 -10.248 0.874 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.228 -11.190 0.780 1.00 0.00 H new ATOM 0 HG SER A 3 12.026 -12.447 1.544 1.00 0.00 H new ATOM 41 N PRO A 4 8.909 -9.628 -1.464 1.00 0.00 N ATOM 42 CA PRO A 4 7.981 -8.498 -1.537 1.00 0.00 C ATOM 43 C PRO A 4 7.794 -7.831 -0.163 1.00 0.00 C ATOM 44 O PRO A 4 8.097 -8.417 0.878 1.00 0.00 O ATOM 45 CB PRO A 4 6.670 -9.086 -2.066 1.00 0.00 C ATOM 46 CG PRO A 4 6.689 -10.510 -1.512 1.00 0.00 C ATOM 47 CD PRO A 4 8.171 -10.882 -1.572 1.00 0.00 C ATOM 0 HA PRO A 4 8.356 -7.709 -2.189 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.804 -8.526 -1.713 1.00 0.00 H new ATOM 0 HB3 PRO A 4 6.633 -9.076 -3.155 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.303 -10.552 -0.493 1.00 0.00 H new ATOM 0 HG3 PRO A 4 6.079 -11.185 -2.112 1.00 0.00 H new ATOM 0 HD2 PRO A 4 8.435 -11.561 -0.761 1.00 0.00 H new ATOM 0 HD3 PRO A 4 8.407 -11.394 -2.505 1.00 0.00 H new ATOM 55 N HIS A 5 7.259 -6.605 -0.157 1.00 0.00 N ATOM 56 CA HIS A 5 7.013 -5.807 1.050 1.00 0.00 C ATOM 57 C HIS A 5 5.916 -4.740 0.819 1.00 0.00 C ATOM 58 O HIS A 5 5.726 -4.255 -0.301 1.00 0.00 O ATOM 59 CB HIS A 5 8.340 -5.166 1.505 1.00 0.00 C ATOM 60 CG HIS A 5 8.234 -4.381 2.789 1.00 0.00 C ATOM 61 ND1 HIS A 5 8.226 -4.900 4.065 1.00 0.00 N ATOM 62 CD2 HIS A 5 8.100 -3.023 2.903 1.00 0.00 C ATOM 63 CE1 HIS A 5 8.091 -3.875 4.927 1.00 0.00 C ATOM 64 NE2 HIS A 5 8.006 -2.704 4.265 1.00 0.00 N ATOM 0 H HIS A 5 6.978 -6.128 -1.013 1.00 0.00 H new ATOM 0 HA HIS A 5 6.641 -6.461 1.839 1.00 0.00 H new ATOM 0 HB2 HIS A 5 9.086 -5.951 1.631 1.00 0.00 H new ATOM 0 HB3 HIS A 5 8.702 -4.506 0.717 1.00 0.00 H new ATOM 0 HD2 HIS A 5 8.072 -2.319 2.085 1.00 0.00 H new ATOM 0 HE1 HIS A 5 8.056 -3.977 6.002 1.00 0.00 H new ATOM 0 HE2 HIS A 5 7.896 -1.775 4.672 1.00 0.00 H new ATOM 72 N GLN A 6 5.210 -4.352 1.889 1.00 0.00 N ATOM 73 CA GLN A 6 4.140 -3.347 1.901 1.00 0.00 C ATOM 74 C GLN A 6 3.947 -2.851 3.346 1.00 0.00 C ATOM 75 O GLN A 6 3.842 -3.667 4.264 1.00 0.00 O ATOM 76 CB GLN A 6 2.859 -3.976 1.323 1.00 0.00 C ATOM 77 CG GLN A 6 1.634 -3.052 1.377 1.00 0.00 C ATOM 78 CD GLN A 6 0.415 -3.681 0.703 1.00 0.00 C ATOM 79 OE1 GLN A 6 -0.138 -3.158 -0.256 1.00 0.00 O ATOM 80 NE2 GLN A 6 -0.054 -4.821 1.165 1.00 0.00 N ATOM 0 H GLN A 6 5.378 -4.749 2.813 1.00 0.00 H new ATOM 0 HA GLN A 6 4.395 -2.487 1.282 1.00 0.00 H new ATOM 0 HB2 GLN A 6 3.041 -4.261 0.287 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.636 -4.891 1.871 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.397 -2.824 2.416 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.871 -2.106 0.889 1.00 0.00 H new ATOM 0 HE21 GLN A 6 0.394 -5.271 1.963 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -0.866 -5.254 0.725 1.00 0.00 H new ATOM 89 N GLU A 7 3.885 -1.530 3.557 1.00 0.00 N ATOM 90 CA GLU A 7 3.922 -0.926 4.896 1.00 0.00 C ATOM 91 C GLU A 7 2.568 -0.300 5.288 1.00 0.00 C ATOM 92 O GLU A 7 2.136 0.658 4.631 1.00 0.00 O ATOM 93 CB GLU A 7 5.018 0.157 4.945 1.00 0.00 C ATOM 94 CG GLU A 7 5.305 0.634 6.373 1.00 0.00 C ATOM 95 CD GLU A 7 6.386 1.724 6.374 1.00 0.00 C ATOM 96 OE1 GLU A 7 6.093 2.858 5.923 1.00 0.00 O ATOM 97 OE2 GLU A 7 7.525 1.459 6.827 1.00 0.00 O ATOM 0 H GLU A 7 3.808 -0.848 2.802 1.00 0.00 H new ATOM 0 HA GLU A 7 4.141 -1.721 5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.934 -0.237 4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.712 1.007 4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.391 1.021 6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.630 -0.208 6.985 1.00 0.00 H new ATOM 104 N PRO A 8 1.899 -0.793 6.352 1.00 0.00 N ATOM 105 CA PRO A 8 0.746 -0.124 6.934 1.00 0.00 C ATOM 106 C PRO A 8 1.250 1.001 7.849 1.00 0.00 C ATOM 107 O PRO A 8 2.239 0.844 8.567 1.00 0.00 O ATOM 108 CB PRO A 8 -0.007 -1.206 7.699 1.00 0.00 C ATOM 109 CG PRO A 8 1.108 -2.143 8.160 1.00 0.00 C ATOM 110 CD PRO A 8 2.157 -2.046 7.052 1.00 0.00 C ATOM 0 HA PRO A 8 0.086 0.336 6.199 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -0.561 -0.793 8.542 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -0.729 -1.720 7.065 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.515 -1.835 9.123 1.00 0.00 H new ATOM 0 HG3 PRO A 8 0.747 -3.165 8.279 1.00 0.00 H new ATOM 0 HD2 PRO A 8 3.164 -2.058 7.468 1.00 0.00 H new ATOM 0 HD3 PRO A 8 2.083 -2.894 6.371 1.00 0.00 H new ATOM 118 N LYS A 9 0.585 2.156 7.821 1.00 0.00 N ATOM 119 CA LYS A 9 1.011 3.331 8.596 1.00 0.00 C ATOM 120 C LYS A 9 0.450 3.293 10.043 1.00 0.00 C ATOM 121 O LYS A 9 -0.642 2.754 10.255 1.00 0.00 O ATOM 122 CB LYS A 9 0.613 4.605 7.824 1.00 0.00 C ATOM 123 CG LYS A 9 1.163 4.683 6.381 1.00 0.00 C ATOM 124 CD LYS A 9 2.694 4.536 6.273 1.00 0.00 C ATOM 125 CE LYS A 9 3.149 4.851 4.841 1.00 0.00 C ATOM 126 NZ LYS A 9 4.631 4.939 4.748 1.00 0.00 N ATOM 0 H LYS A 9 -0.258 2.308 7.267 1.00 0.00 H new ATOM 0 HA LYS A 9 2.095 3.328 8.710 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.475 4.667 7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 9 0.963 5.475 8.380 1.00 0.00 H new ATOM 0 HG2 LYS A 9 0.692 3.902 5.783 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.870 5.638 5.945 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.183 5.210 6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 9 2.991 3.523 6.544 1.00 0.00 H new ATOM 0 HE2 LYS A 9 2.786 4.078 4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 9 2.706 5.792 4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.923 4.847 3.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 4.948 5.858 5.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.060 4.174 5.307 1.00 0.00 H new ATOM 140 N PRO A 10 1.163 3.846 11.049 1.00 0.00 N ATOM 141 CA PRO A 10 0.729 3.821 12.446 1.00 0.00 C ATOM 142 C PRO A 10 -0.565 4.630 12.607 1.00 0.00 C ATOM 143 O PRO A 10 -0.679 5.762 12.138 1.00 0.00 O ATOM 144 CB PRO A 10 1.923 4.332 13.265 1.00 0.00 C ATOM 145 CG PRO A 10 2.625 5.266 12.283 1.00 0.00 C ATOM 146 CD PRO A 10 2.437 4.551 10.942 1.00 0.00 C ATOM 0 HA PRO A 10 0.467 2.826 12.805 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.602 4.857 14.165 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.573 3.518 13.585 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.176 6.259 12.278 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.679 5.394 12.529 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.423 5.263 10.117 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.255 3.856 10.750 1.00 0.00 H new ATOM 154 N GLY A 11 -1.556 3.979 13.223 1.00 0.00 N ATOM 155 CA GLY A 11 -2.930 4.459 13.384 1.00 0.00 C ATOM 156 C GLY A 11 -3.878 4.099 12.243 1.00 0.00 C ATOM 157 O GLY A 11 -5.047 4.478 12.318 1.00 0.00 O ATOM 0 H GLY A 11 -1.415 3.060 13.642 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -3.333 4.055 14.312 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.910 5.544 13.491 1.00 0.00 H new ATOM 161 N ASP A 12 -3.414 3.402 11.199 1.00 0.00 N ATOM 162 CA ASP A 12 -4.220 3.128 10.005 1.00 0.00 C ATOM 163 C ASP A 12 -4.827 1.714 9.910 1.00 0.00 C ATOM 164 O ASP A 12 -4.437 0.781 10.612 1.00 0.00 O ATOM 165 CB ASP A 12 -3.507 3.592 8.720 1.00 0.00 C ATOM 166 CG ASP A 12 -4.453 4.484 7.902 1.00 0.00 C ATOM 167 OD1 ASP A 12 -5.643 4.115 7.771 1.00 0.00 O ATOM 168 OD2 ASP A 12 -4.073 5.613 7.520 1.00 0.00 O ATOM 0 H ASP A 12 -2.472 3.013 11.159 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.110 3.746 10.122 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.600 4.141 8.973 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.202 2.729 8.129 1.00 0.00 H new ATOM 173 N LEU A 13 -5.824 1.603 9.027 1.00 0.00 N ATOM 174 CA LEU A 13 -6.751 0.486 8.864 1.00 0.00 C ATOM 175 C LEU A 13 -6.400 -0.434 7.703 1.00 0.00 C ATOM 176 O LEU A 13 -6.573 -0.089 6.537 1.00 0.00 O ATOM 177 CB LEU A 13 -8.148 1.080 8.629 1.00 0.00 C ATOM 178 CG LEU A 13 -8.687 1.844 9.842 1.00 0.00 C ATOM 179 CD1 LEU A 13 -9.935 2.628 9.432 1.00 0.00 C ATOM 180 CD2 LEU A 13 -9.022 0.854 10.964 1.00 0.00 C ATOM 0 H LEU A 13 -6.016 2.349 8.359 1.00 0.00 H new ATOM 0 HA LEU A 13 -6.701 -0.127 9.764 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.111 1.751 7.771 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.840 0.277 8.376 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.933 2.542 10.205 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -10.321 3.173 10.293 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.678 3.333 8.641 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.696 1.937 9.069 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.406 1.398 11.827 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.777 0.150 10.614 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.122 0.309 11.249 1.00 0.00 H new ATOM 192 N ILE A 14 -5.974 -1.644 8.040 1.00 0.00 N ATOM 193 CA ILE A 14 -5.573 -2.687 7.097 1.00 0.00 C ATOM 194 C ILE A 14 -6.722 -3.683 6.900 1.00 0.00 C ATOM 195 O ILE A 14 -7.288 -4.164 7.881 1.00 0.00 O ATOM 196 CB ILE A 14 -4.324 -3.450 7.610 1.00 0.00 C ATOM 197 CG1 ILE A 14 -3.365 -2.644 8.519 1.00 0.00 C ATOM 198 CG2 ILE A 14 -3.577 -4.008 6.381 1.00 0.00 C ATOM 199 CD1 ILE A 14 -2.259 -3.513 9.126 1.00 0.00 C ATOM 0 H ILE A 14 -5.894 -1.940 9.013 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.329 -2.208 6.149 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.687 -4.241 8.266 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.913 -1.839 7.940 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -3.937 -2.178 9.321 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -2.691 -4.551 6.710 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.234 -4.683 5.832 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.278 -3.185 5.732 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.616 -2.897 9.754 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -2.707 -4.303 9.729 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.667 -3.959 8.327 1.00 0.00 H new ATOM 211 N GLU A 15 -7.045 -4.023 5.652 1.00 0.00 N ATOM 212 CA GLU A 15 -7.941 -5.127 5.314 1.00 0.00 C ATOM 213 C GLU A 15 -7.053 -6.339 5.002 1.00 0.00 C ATOM 214 O GLU A 15 -6.243 -6.299 4.072 1.00 0.00 O ATOM 215 CB GLU A 15 -8.831 -4.798 4.105 1.00 0.00 C ATOM 216 CG GLU A 15 -9.872 -3.725 4.432 1.00 0.00 C ATOM 217 CD GLU A 15 -10.890 -3.583 3.290 1.00 0.00 C ATOM 218 OE1 GLU A 15 -11.846 -4.393 3.222 1.00 0.00 O ATOM 219 OE2 GLU A 15 -10.744 -2.659 2.454 1.00 0.00 O ATOM 0 H GLU A 15 -6.685 -3.530 4.835 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.614 -5.324 6.148 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -8.207 -4.458 3.278 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -9.337 -5.704 3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.389 -3.984 5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.375 -2.770 4.602 1.00 0.00 H new ATOM 226 N ILE A 16 -7.173 -7.401 5.800 1.00 0.00 N ATOM 227 CA ILE A 16 -6.403 -8.645 5.693 1.00 0.00 C ATOM 228 C ILE A 16 -7.251 -9.706 4.990 1.00 0.00 C ATOM 229 O ILE A 16 -8.299 -10.106 5.501 1.00 0.00 O ATOM 230 CB ILE A 16 -5.983 -9.153 7.097 1.00 0.00 C ATOM 231 CG1 ILE A 16 -5.380 -8.072 8.027 1.00 0.00 C ATOM 232 CG2 ILE A 16 -5.021 -10.350 6.952 1.00 0.00 C ATOM 233 CD1 ILE A 16 -4.104 -7.399 7.517 1.00 0.00 C ATOM 0 H ILE A 16 -7.838 -7.420 6.573 1.00 0.00 H new ATOM 0 HA ILE A 16 -5.500 -8.452 5.114 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.904 -9.463 7.591 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.133 -7.302 8.196 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.168 -8.528 8.994 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.729 -10.704 7.941 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.520 -11.155 6.412 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.134 -10.039 6.401 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.767 -6.660 8.244 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.327 -8.151 7.377 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.308 -6.906 6.566 1.00 0.00 H new ATOM 245 N PHE A 17 -6.778 -10.219 3.855 1.00 0.00 N ATOM 246 CA PHE A 17 -7.401 -11.318 3.114 1.00 0.00 C ATOM 247 C PHE A 17 -6.995 -12.660 3.749 1.00 0.00 C ATOM 248 O PHE A 17 -6.298 -13.475 3.137 1.00 0.00 O ATOM 249 CB PHE A 17 -7.019 -11.222 1.625 1.00 0.00 C ATOM 250 CG PHE A 17 -7.559 -10.003 0.893 1.00 0.00 C ATOM 251 CD1 PHE A 17 -6.963 -8.737 1.067 1.00 0.00 C ATOM 252 CD2 PHE A 17 -8.654 -10.135 0.015 1.00 0.00 C ATOM 253 CE1 PHE A 17 -7.465 -7.612 0.388 1.00 0.00 C ATOM 254 CE2 PHE A 17 -9.154 -9.009 -0.668 1.00 0.00 C ATOM 255 CZ PHE A 17 -8.560 -7.747 -0.482 1.00 0.00 C ATOM 0 H PHE A 17 -5.927 -9.873 3.412 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.487 -11.249 3.170 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.932 -11.221 1.545 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -7.375 -12.118 1.117 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -6.115 -8.630 1.727 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -9.111 -11.102 -0.134 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -7.009 -6.644 0.535 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -9.996 -9.115 -1.336 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.945 -6.885 -1.006 1.00 0.00 H new ATOM 265 N ARG A 18 -7.394 -12.871 5.011 1.00 0.00 N ATOM 266 CA ARG A 18 -7.028 -14.052 5.811 1.00 0.00 C ATOM 267 C ARG A 18 -7.541 -15.365 5.214 1.00 0.00 C ATOM 268 O ARG A 18 -6.898 -16.401 5.403 1.00 0.00 O ATOM 269 CB ARG A 18 -7.498 -13.843 7.266 1.00 0.00 C ATOM 270 CG ARG A 18 -7.219 -15.017 8.223 1.00 0.00 C ATOM 271 CD ARG A 18 -5.745 -15.453 8.263 1.00 0.00 C ATOM 272 NE ARG A 18 -5.565 -16.656 9.097 1.00 0.00 N ATOM 273 CZ ARG A 18 -5.684 -17.920 8.700 1.00 0.00 C ATOM 274 NH1 ARG A 18 -6.021 -18.247 7.467 1.00 0.00 N ATOM 275 NH2 ARG A 18 -5.462 -18.893 9.557 1.00 0.00 N ATOM 0 H ARG A 18 -7.991 -12.215 5.515 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.942 -14.149 5.799 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.014 -12.950 7.662 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.570 -13.648 7.260 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.531 -14.735 9.228 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.831 -15.868 7.926 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -5.395 -15.654 7.250 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.134 -14.641 8.656 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.325 -16.503 10.077 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -6.201 -17.518 6.777 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.101 -19.229 7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.201 -18.676 10.519 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.551 -19.865 9.260 1.00 0.00 H new ATOM 289 N LEU A 19 -8.665 -15.320 4.497 1.00 0.00 N ATOM 290 CA LEU A 19 -9.328 -16.480 3.897 1.00 0.00 C ATOM 291 C LEU A 19 -10.372 -16.026 2.858 1.00 0.00 C ATOM 292 O LEU A 19 -10.150 -15.013 2.191 1.00 0.00 O ATOM 293 CB LEU A 19 -9.797 -17.440 5.026 1.00 0.00 C ATOM 294 CG LEU A 19 -10.559 -16.842 6.234 1.00 0.00 C ATOM 295 CD1 LEU A 19 -11.878 -16.163 5.859 1.00 0.00 C ATOM 296 CD2 LEU A 19 -10.836 -17.953 7.259 1.00 0.00 C ATOM 0 H LEU A 19 -9.156 -14.445 4.311 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.647 -17.087 3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.436 -18.198 4.573 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -8.917 -17.954 5.411 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.918 -16.066 6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.353 -15.769 6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.682 -15.346 5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -12.540 -16.889 5.387 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.372 -17.536 8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -11.441 -18.733 6.796 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -9.892 -18.379 7.598 1.00 0.00 H new ATOM 308 N GLY A 20 -11.511 -16.719 2.723 1.00 0.00 N ATOM 309 CA GLY A 20 -12.632 -16.353 1.833 1.00 0.00 C ATOM 310 C GLY A 20 -13.468 -15.155 2.312 1.00 0.00 C ATOM 311 O GLY A 20 -14.671 -15.096 2.052 1.00 0.00 O ATOM 0 H GLY A 20 -11.687 -17.578 3.245 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -12.234 -16.128 0.843 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -13.288 -17.216 1.724 1.00 0.00 H new ATOM 315 N TYR A 21 -12.832 -14.216 3.012 1.00 0.00 N ATOM 316 CA TYR A 21 -13.384 -13.020 3.660 1.00 0.00 C ATOM 317 C TYR A 21 -12.240 -12.081 4.104 1.00 0.00 C ATOM 318 O TYR A 21 -11.113 -12.538 4.345 1.00 0.00 O ATOM 319 CB TYR A 21 -14.248 -13.432 4.867 1.00 0.00 C ATOM 320 CG TYR A 21 -15.064 -12.310 5.484 1.00 0.00 C ATOM 321 CD1 TYR A 21 -16.118 -11.732 4.749 1.00 0.00 C ATOM 322 CD2 TYR A 21 -14.787 -11.854 6.789 1.00 0.00 C ATOM 323 CE1 TYR A 21 -16.891 -10.698 5.311 1.00 0.00 C ATOM 324 CE2 TYR A 21 -15.556 -10.822 7.359 1.00 0.00 C ATOM 325 CZ TYR A 21 -16.610 -10.239 6.620 1.00 0.00 C ATOM 326 OH TYR A 21 -17.361 -9.242 7.168 1.00 0.00 O ATOM 0 H TYR A 21 -11.824 -14.276 3.155 1.00 0.00 H new ATOM 0 HA TYR A 21 -14.012 -12.484 2.949 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -14.927 -14.226 4.555 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.597 -13.852 5.634 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -16.334 -12.083 3.751 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -13.981 -12.299 7.354 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -17.697 -10.256 4.744 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -15.341 -10.476 8.359 1.00 0.00 H new ATOM 0 HH TYR A 21 -17.037 -9.047 8.072 1.00 0.00 H new ATOM 336 N GLU A 22 -12.523 -10.779 4.227 1.00 0.00 N ATOM 337 CA GLU A 22 -11.540 -9.759 4.608 1.00 0.00 C ATOM 338 C GLU A 22 -11.747 -9.319 6.064 1.00 0.00 C ATOM 339 O GLU A 22 -12.848 -8.939 6.467 1.00 0.00 O ATOM 340 CB GLU A 22 -11.598 -8.537 3.673 1.00 0.00 C ATOM 341 CG GLU A 22 -11.152 -8.838 2.235 1.00 0.00 C ATOM 342 CD GLU A 22 -12.220 -9.596 1.421 1.00 0.00 C ATOM 343 OE1 GLU A 22 -13.287 -9.006 1.120 1.00 0.00 O ATOM 344 OE2 GLU A 22 -12.002 -10.780 1.070 1.00 0.00 O ATOM 0 H GLU A 22 -13.455 -10.399 4.062 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.552 -10.210 4.512 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.618 -8.153 3.655 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.967 -7.748 4.082 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -10.915 -7.902 1.730 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.236 -9.428 2.260 1.00 0.00 H new ATOM 351 N HIS A 23 -10.674 -9.347 6.854 1.00 0.00 N ATOM 352 CA HIS A 23 -10.675 -9.013 8.281 1.00 0.00 C ATOM 353 C HIS A 23 -9.961 -7.668 8.529 1.00 0.00 C ATOM 354 O HIS A 23 -8.867 -7.447 8.008 1.00 0.00 O ATOM 355 CB HIS A 23 -9.965 -10.136 9.060 1.00 0.00 C ATOM 356 CG HIS A 23 -10.677 -11.470 9.063 1.00 0.00 C ATOM 357 ND1 HIS A 23 -11.165 -12.122 10.174 1.00 0.00 N ATOM 358 CD2 HIS A 23 -10.899 -12.294 7.990 1.00 0.00 C ATOM 359 CE1 HIS A 23 -11.663 -13.309 9.780 1.00 0.00 C ATOM 360 NE2 HIS A 23 -11.522 -13.463 8.451 1.00 0.00 N ATOM 0 H HIS A 23 -9.751 -9.611 6.509 1.00 0.00 H new ATOM 0 HA HIS A 23 -11.705 -8.918 8.623 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -8.970 -10.275 8.638 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -9.832 -9.812 10.092 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -11.151 -11.767 11.130 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -10.638 -12.079 6.964 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -12.113 -14.037 10.439 1.00 0.00 H new ATOM 368 N TRP A 24 -10.533 -6.778 9.346 1.00 0.00 N ATOM 369 CA TRP A 24 -9.898 -5.498 9.682 1.00 0.00 C ATOM 370 C TRP A 24 -8.811 -5.617 10.765 1.00 0.00 C ATOM 371 O TRP A 24 -8.975 -6.340 11.752 1.00 0.00 O ATOM 372 CB TRP A 24 -10.949 -4.499 10.174 1.00 0.00 C ATOM 373 CG TRP A 24 -11.841 -3.879 9.145 1.00 0.00 C ATOM 374 CD1 TRP A 24 -13.175 -4.064 9.069 1.00 0.00 C ATOM 375 CD2 TRP A 24 -11.526 -2.882 8.118 1.00 0.00 C ATOM 376 NE1 TRP A 24 -13.708 -3.288 8.062 1.00 0.00 N ATOM 377 CE2 TRP A 24 -12.739 -2.520 7.455 1.00 0.00 C ATOM 378 CE3 TRP A 24 -10.351 -2.214 7.707 1.00 0.00 C ATOM 379 CZ2 TRP A 24 -12.785 -1.554 6.437 1.00 0.00 C ATOM 380 CZ3 TRP A 24 -10.384 -1.245 6.683 1.00 0.00 C ATOM 381 CH2 TRP A 24 -11.595 -0.914 6.048 1.00 0.00 C ATOM 0 H TRP A 24 -11.440 -6.921 9.790 1.00 0.00 H new ATOM 0 HA TRP A 24 -9.422 -5.155 8.763 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -11.579 -5.005 10.906 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -10.432 -3.696 10.700 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -13.744 -4.725 9.706 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -14.694 -3.283 7.800 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -9.412 -2.449 8.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -13.721 -1.306 5.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -9.471 -0.752 6.383 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -11.611 -0.171 5.264 1.00 0.00 H new ATOM 392 N ALA A 25 -7.758 -4.807 10.631 1.00 0.00 N ATOM 393 CA ALA A 25 -6.723 -4.591 11.641 1.00 0.00 C ATOM 394 C ALA A 25 -6.306 -3.110 11.715 1.00 0.00 C ATOM 395 O ALA A 25 -6.261 -2.424 10.698 1.00 0.00 O ATOM 396 CB ALA A 25 -5.531 -5.508 11.328 1.00 0.00 C ATOM 0 H ALA A 25 -7.598 -4.263 9.783 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.117 -4.843 12.625 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.751 -5.358 12.074 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.857 -6.548 11.348 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.139 -5.270 10.339 1.00 0.00 H new ATOM 402 N LEU A 26 -5.979 -2.624 12.913 1.00 0.00 N ATOM 403 CA LEU A 26 -5.428 -1.292 13.188 1.00 0.00 C ATOM 404 C LEU A 26 -3.961 -1.463 13.597 1.00 0.00 C ATOM 405 O LEU A 26 -3.682 -2.089 14.618 1.00 0.00 O ATOM 406 CB LEU A 26 -6.271 -0.652 14.318 1.00 0.00 C ATOM 407 CG LEU A 26 -6.122 0.864 14.590 1.00 0.00 C ATOM 408 CD1 LEU A 26 -4.685 1.373 14.732 1.00 0.00 C ATOM 409 CD2 LEU A 26 -6.865 1.694 13.541 1.00 0.00 C ATOM 0 H LEU A 26 -6.097 -3.175 13.763 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.468 -0.639 12.316 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.321 -0.846 14.098 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.037 -1.178 15.243 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.577 0.998 15.571 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.696 2.447 14.920 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.199 0.864 15.564 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.135 1.172 13.813 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.740 2.754 13.761 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.460 1.478 12.552 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.925 1.441 13.561 1.00 0.00 H new ATOM 421 N TYR A 27 -3.027 -0.897 12.834 1.00 0.00 N ATOM 422 CA TYR A 27 -1.595 -0.896 13.169 1.00 0.00 C ATOM 423 C TYR A 27 -1.305 0.097 14.312 1.00 0.00 C ATOM 424 O TYR A 27 -1.125 1.292 14.085 1.00 0.00 O ATOM 425 CB TYR A 27 -0.803 -0.580 11.890 1.00 0.00 C ATOM 426 CG TYR A 27 0.678 -0.905 11.911 1.00 0.00 C ATOM 427 CD1 TYR A 27 1.105 -2.246 11.941 1.00 0.00 C ATOM 428 CD2 TYR A 27 1.633 0.121 11.779 1.00 0.00 C ATOM 429 CE1 TYR A 27 2.470 -2.559 11.809 1.00 0.00 C ATOM 430 CE2 TYR A 27 2.999 -0.182 11.633 1.00 0.00 C ATOM 431 CZ TYR A 27 3.420 -1.530 11.622 1.00 0.00 C ATOM 432 OH TYR A 27 4.722 -1.840 11.385 1.00 0.00 O ATOM 0 H TYR A 27 -3.240 -0.421 11.957 1.00 0.00 H new ATOM 0 HA TYR A 27 -1.284 -1.874 13.536 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.260 -1.124 11.063 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.916 0.482 11.673 1.00 0.00 H new ATOM 0 HD1 TYR A 27 0.381 -3.038 12.066 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.313 1.153 11.790 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.793 -3.589 11.851 1.00 0.00 H new ATOM 0 HE2 TYR A 27 3.723 0.613 11.530 1.00 0.00 H new ATOM 0 HH TYR A 27 5.241 -1.015 11.279 1.00 0.00 H new ATOM 442 N ILE A 28 -1.276 -0.372 15.566 1.00 0.00 N ATOM 443 CA ILE A 28 -1.101 0.501 16.753 1.00 0.00 C ATOM 444 C ILE A 28 0.330 1.030 16.939 1.00 0.00 C ATOM 445 O ILE A 28 0.544 1.917 17.766 1.00 0.00 O ATOM 446 CB ILE A 28 -1.637 -0.142 18.052 1.00 0.00 C ATOM 447 CG1 ILE A 28 -1.079 -1.559 18.308 1.00 0.00 C ATOM 448 CG2 ILE A 28 -3.174 -0.111 18.022 1.00 0.00 C ATOM 449 CD1 ILE A 28 -1.252 -2.017 19.763 1.00 0.00 C ATOM 0 H ILE A 28 -1.372 -1.361 15.795 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.718 1.374 16.539 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.282 0.445 18.899 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.581 -2.266 17.648 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.020 -1.579 18.050 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.565 -0.562 18.934 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.516 0.922 17.953 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -3.532 -0.670 17.158 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.841 -3.020 19.880 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.727 -1.329 20.426 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.312 -2.028 20.018 1.00 0.00 H new ATOM 461 N GLY A 29 1.293 0.530 16.156 1.00 0.00 N ATOM 462 CA GLY A 29 2.645 1.088 16.072 1.00 0.00 C ATOM 463 C GLY A 29 3.747 0.044 15.945 1.00 0.00 C ATOM 464 O GLY A 29 3.762 -0.956 16.663 1.00 0.00 O ATOM 0 H GLY A 29 1.152 -0.283 15.556 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.696 1.759 15.215 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.832 1.691 16.960 1.00 0.00 H new ATOM 468 N ASP A 30 4.656 0.309 15.006 1.00 0.00 N ATOM 469 CA ASP A 30 5.951 -0.341 14.742 1.00 0.00 C ATOM 470 C ASP A 30 5.925 -1.833 14.327 1.00 0.00 C ATOM 471 O ASP A 30 6.895 -2.328 13.744 1.00 0.00 O ATOM 472 CB ASP A 30 6.867 -0.118 15.959 1.00 0.00 C ATOM 473 CG ASP A 30 8.333 -0.483 15.680 1.00 0.00 C ATOM 474 OD1 ASP A 30 8.989 0.229 14.880 1.00 0.00 O ATOM 475 OD2 ASP A 30 8.838 -1.462 16.283 1.00 0.00 O ATOM 0 H ASP A 30 4.491 1.063 14.339 1.00 0.00 H new ATOM 0 HA ASP A 30 6.336 0.142 13.844 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.810 0.927 16.263 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.502 -0.714 16.796 1.00 0.00 H new ATOM 480 N GLY A 31 4.832 -2.547 14.607 1.00 0.00 N ATOM 481 CA GLY A 31 4.627 -3.958 14.268 1.00 0.00 C ATOM 482 C GLY A 31 3.390 -4.592 14.899 1.00 0.00 C ATOM 483 O GLY A 31 2.895 -5.591 14.388 1.00 0.00 O ATOM 0 H GLY A 31 4.033 -2.142 15.096 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.553 -4.050 13.184 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.506 -4.523 14.577 1.00 0.00 H new ATOM 487 N TYR A 32 2.860 -4.030 15.991 1.00 0.00 N ATOM 488 CA TYR A 32 1.667 -4.559 16.670 1.00 0.00 C ATOM 489 C TYR A 32 0.351 -4.120 16.003 1.00 0.00 C ATOM 490 O TYR A 32 0.226 -2.989 15.529 1.00 0.00 O ATOM 491 CB TYR A 32 1.705 -4.171 18.155 1.00 0.00 C ATOM 492 CG TYR A 32 2.768 -4.915 18.942 1.00 0.00 C ATOM 493 CD1 TYR A 32 2.489 -6.204 19.443 1.00 0.00 C ATOM 494 CD2 TYR A 32 4.037 -4.341 19.153 1.00 0.00 C ATOM 495 CE1 TYR A 32 3.472 -6.916 20.157 1.00 0.00 C ATOM 496 CE2 TYR A 32 5.023 -5.046 19.870 1.00 0.00 C ATOM 497 CZ TYR A 32 4.742 -6.335 20.378 1.00 0.00 C ATOM 498 OH TYR A 32 5.705 -7.016 21.060 1.00 0.00 O ATOM 0 H TYR A 32 3.245 -3.194 16.431 1.00 0.00 H new ATOM 0 HA TYR A 32 1.690 -5.645 16.582 1.00 0.00 H new ATOM 0 HB2 TYR A 32 1.884 -3.099 18.239 1.00 0.00 H new ATOM 0 HB3 TYR A 32 0.729 -4.367 18.600 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.518 -6.646 19.278 1.00 0.00 H new ATOM 0 HD2 TYR A 32 4.254 -3.357 18.764 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.256 -7.904 20.535 1.00 0.00 H new ATOM 0 HE2 TYR A 32 5.994 -4.602 20.032 1.00 0.00 H new ATOM 0 HH TYR A 32 6.515 -6.467 21.118 1.00 0.00 H new ATOM 508 N VAL A 33 -0.648 -5.008 16.002 1.00 0.00 N ATOM 509 CA VAL A 33 -1.988 -4.775 15.439 1.00 0.00 C ATOM 510 C VAL A 33 -3.100 -5.142 16.422 1.00 0.00 C ATOM 511 O VAL A 33 -2.979 -6.095 17.190 1.00 0.00 O ATOM 512 CB VAL A 33 -2.229 -5.535 14.111 1.00 0.00 C ATOM 513 CG1 VAL A 33 -1.395 -4.955 12.961 1.00 0.00 C ATOM 514 CG2 VAL A 33 -1.962 -7.048 14.191 1.00 0.00 C ATOM 0 H VAL A 33 -0.546 -5.939 16.405 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.021 -3.704 15.237 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.292 -5.395 13.916 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.594 -5.517 12.048 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.662 -3.909 12.809 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.336 -5.027 13.208 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.155 -7.503 13.220 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.923 -7.220 14.473 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.619 -7.494 14.938 1.00 0.00 H new ATOM 524 N ILE A 34 -4.196 -4.383 16.371 1.00 0.00 N ATOM 525 CA ILE A 34 -5.476 -4.668 17.052 1.00 0.00 C ATOM 526 C ILE A 34 -6.487 -5.097 15.981 1.00 0.00 C ATOM 527 O ILE A 34 -6.512 -4.508 14.907 1.00 0.00 O ATOM 528 CB ILE A 34 -5.967 -3.412 17.815 1.00 0.00 C ATOM 529 CG1 ILE A 34 -4.971 -2.952 18.902 1.00 0.00 C ATOM 530 CG2 ILE A 34 -7.369 -3.616 18.422 1.00 0.00 C ATOM 531 CD1 ILE A 34 -4.729 -3.934 20.049 1.00 0.00 C ATOM 0 H ILE A 34 -4.225 -3.516 15.834 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.355 -5.465 17.786 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.031 -2.618 17.071 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.015 -2.740 18.424 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.332 -2.014 19.323 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.673 -2.711 18.947 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.082 -3.831 17.626 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.344 -4.451 19.122 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.013 -3.505 20.750 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.669 -4.130 20.564 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.332 -4.868 19.651 1.00 0.00 H new ATOM 543 N HIS A 35 -7.314 -6.107 16.229 1.00 0.00 N ATOM 544 CA HIS A 35 -8.176 -6.708 15.199 1.00 0.00 C ATOM 545 C HIS A 35 -9.436 -7.353 15.803 1.00 0.00 C ATOM 546 O HIS A 35 -9.384 -7.894 16.905 1.00 0.00 O ATOM 547 CB HIS A 35 -7.348 -7.732 14.394 1.00 0.00 C ATOM 548 CG HIS A 35 -6.793 -8.865 15.228 1.00 0.00 C ATOM 549 ND1 HIS A 35 -7.314 -10.137 15.331 1.00 0.00 N ATOM 550 CD2 HIS A 35 -5.703 -8.810 16.058 1.00 0.00 C ATOM 551 CE1 HIS A 35 -6.560 -10.824 16.207 1.00 0.00 C ATOM 552 NE2 HIS A 35 -5.572 -10.052 16.691 1.00 0.00 N ATOM 0 H HIS A 35 -7.411 -6.538 17.149 1.00 0.00 H new ATOM 0 HA HIS A 35 -8.530 -5.921 14.533 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -7.973 -8.148 13.604 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.522 -7.214 13.907 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -8.128 -10.494 14.831 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -5.057 -7.956 16.199 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -6.726 -11.855 16.484 1.00 0.00 H new ATOM 560 N LEU A 36 -10.568 -7.318 15.086 1.00 0.00 N ATOM 561 CA LEU A 36 -11.831 -7.927 15.521 1.00 0.00 C ATOM 562 C LEU A 36 -11.942 -9.352 14.962 1.00 0.00 C ATOM 563 O LEU A 36 -11.965 -9.558 13.747 1.00 0.00 O ATOM 564 CB LEU A 36 -12.985 -6.981 15.108 1.00 0.00 C ATOM 565 CG LEU A 36 -14.448 -7.352 15.445 1.00 0.00 C ATOM 566 CD1 LEU A 36 -15.075 -8.328 14.441 1.00 0.00 C ATOM 567 CD2 LEU A 36 -14.616 -7.882 16.873 1.00 0.00 C ATOM 0 H LEU A 36 -10.632 -6.860 14.177 1.00 0.00 H new ATOM 0 HA LEU A 36 -11.881 -8.041 16.604 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -12.785 -6.009 15.560 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -12.925 -6.849 14.028 1.00 0.00 H new ATOM 0 HG LEU A 36 -14.991 -6.410 15.369 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -16.101 -8.546 14.737 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -15.071 -7.880 13.447 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -14.498 -9.253 14.424 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -15.664 -8.125 17.050 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -14.009 -8.778 17.002 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -14.295 -7.120 17.584 1.00 0.00 H new ATOM 579 N ALA A 37 -12.022 -10.339 15.857 1.00 0.00 N ATOM 580 CA ALA A 37 -12.342 -11.728 15.541 1.00 0.00 C ATOM 581 C ALA A 37 -13.880 -11.875 15.418 1.00 0.00 C ATOM 582 O ALA A 37 -14.574 -11.567 16.392 1.00 0.00 O ATOM 583 CB ALA A 37 -11.757 -12.620 16.648 1.00 0.00 C ATOM 0 H ALA A 37 -11.860 -10.186 16.852 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.906 -12.035 14.590 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.984 -13.664 16.432 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.676 -12.485 16.691 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -12.195 -12.344 17.607 1.00 0.00 H new ATOM 589 N PRO A 38 -14.426 -12.288 14.251 1.00 0.00 N ATOM 590 CA PRO A 38 -15.870 -12.323 13.995 1.00 0.00 C ATOM 591 C PRO A 38 -16.566 -13.488 14.730 1.00 0.00 C ATOM 592 O PRO A 38 -15.883 -14.413 15.186 1.00 0.00 O ATOM 593 CB PRO A 38 -16.001 -12.447 12.470 1.00 0.00 C ATOM 594 CG PRO A 38 -14.741 -13.203 12.068 1.00 0.00 C ATOM 595 CD PRO A 38 -13.698 -12.668 13.046 1.00 0.00 C ATOM 0 HA PRO A 38 -16.364 -11.428 14.373 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -16.903 -12.990 12.187 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -16.053 -11.470 11.990 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -14.869 -14.281 12.163 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -14.464 -13.005 11.033 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -12.947 -13.427 13.268 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -13.171 -11.812 12.624 1.00 0.00 H new ATOM 603 N PRO A 39 -17.915 -13.474 14.836 1.00 0.00 N ATOM 604 CA PRO A 39 -18.668 -14.558 15.462 1.00 0.00 C ATOM 605 C PRO A 39 -18.687 -15.790 14.538 1.00 0.00 C ATOM 606 O PRO A 39 -18.930 -15.678 13.336 1.00 0.00 O ATOM 607 CB PRO A 39 -20.064 -13.983 15.713 1.00 0.00 C ATOM 608 CG PRO A 39 -20.246 -12.973 14.580 1.00 0.00 C ATOM 609 CD PRO A 39 -18.829 -12.455 14.319 1.00 0.00 C ATOM 0 HA PRO A 39 -18.226 -14.902 16.397 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -20.828 -14.759 15.685 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -20.131 -13.505 16.690 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -20.670 -13.441 13.692 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -20.920 -12.166 14.868 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -18.665 -12.291 13.254 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -18.667 -11.499 14.817 1.00 0.00 H new ATOM 617 N SER A 40 -18.416 -16.975 15.096 1.00 0.00 N ATOM 618 CA SER A 40 -18.180 -18.223 14.340 1.00 0.00 C ATOM 619 C SER A 40 -18.167 -19.465 15.261 1.00 0.00 C ATOM 620 O SER A 40 -18.480 -19.367 16.451 1.00 0.00 O ATOM 621 CB SER A 40 -16.866 -18.099 13.533 1.00 0.00 C ATOM 622 OG SER A 40 -16.756 -19.111 12.538 1.00 0.00 O ATOM 0 H SER A 40 -18.352 -17.102 16.106 1.00 0.00 H new ATOM 0 HA SER A 40 -19.008 -18.367 13.646 1.00 0.00 H new ATOM 0 HB2 SER A 40 -16.822 -17.118 13.059 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.016 -18.164 14.212 1.00 0.00 H new ATOM 0 HG SER A 40 -15.914 -18.998 12.049 1.00 0.00 H new ATOM 628 N GLU A 41 -17.812 -20.638 14.729 1.00 0.00 N ATOM 629 CA GLU A 41 -17.657 -21.891 15.478 1.00 0.00 C ATOM 630 C GLU A 41 -16.467 -21.863 16.465 1.00 0.00 C ATOM 631 O GLU A 41 -15.549 -21.044 16.354 1.00 0.00 O ATOM 632 CB GLU A 41 -17.563 -23.085 14.508 1.00 0.00 C ATOM 633 CG GLU A 41 -16.319 -23.068 13.607 1.00 0.00 C ATOM 634 CD GLU A 41 -16.318 -24.275 12.659 1.00 0.00 C ATOM 635 OE1 GLU A 41 -16.952 -24.202 11.578 1.00 0.00 O ATOM 636 OE2 GLU A 41 -15.674 -25.303 12.979 1.00 0.00 O ATOM 0 H GLU A 41 -17.618 -20.746 13.733 1.00 0.00 H new ATOM 0 HA GLU A 41 -18.548 -22.010 16.094 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.567 -24.009 15.086 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -18.453 -23.099 13.879 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -16.296 -22.145 13.028 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -15.419 -23.081 14.221 1.00 0.00 H new ATOM 643 N TYR A 42 -16.476 -22.792 17.427 1.00 0.00 N ATOM 644 CA TYR A 42 -15.529 -22.864 18.554 1.00 0.00 C ATOM 645 C TYR A 42 -15.299 -24.325 19.041 1.00 0.00 C ATOM 646 O TYR A 42 -16.035 -25.221 18.606 1.00 0.00 O ATOM 647 CB TYR A 42 -16.031 -21.909 19.660 1.00 0.00 C ATOM 648 CG TYR A 42 -17.353 -22.277 20.308 1.00 0.00 C ATOM 649 CD1 TYR A 42 -17.369 -23.084 21.461 1.00 0.00 C ATOM 650 CD2 TYR A 42 -18.565 -21.771 19.797 1.00 0.00 C ATOM 651 CE1 TYR A 42 -18.586 -23.394 22.097 1.00 0.00 C ATOM 652 CE2 TYR A 42 -19.786 -22.054 20.443 1.00 0.00 C ATOM 653 CZ TYR A 42 -19.798 -22.876 21.595 1.00 0.00 C ATOM 654 OH TYR A 42 -20.971 -23.153 22.234 1.00 0.00 O ATOM 0 H TYR A 42 -17.166 -23.543 17.446 1.00 0.00 H new ATOM 0 HA TYR A 42 -14.539 -22.536 18.235 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -15.270 -21.855 20.439 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -16.123 -20.910 19.235 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -16.442 -23.468 21.860 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -18.559 -21.162 18.905 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -18.592 -24.029 22.970 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -20.709 -21.645 20.060 1.00 0.00 H new ATOM 0 HH TYR A 42 -21.712 -22.720 21.761 1.00 0.00 H new ATOM 664 N PRO A 43 -14.283 -24.594 19.899 1.00 0.00 N ATOM 665 CA PRO A 43 -13.939 -25.941 20.367 1.00 0.00 C ATOM 666 C PRO A 43 -15.117 -26.700 20.993 1.00 0.00 C ATOM 667 O PRO A 43 -16.002 -26.102 21.606 1.00 0.00 O ATOM 668 CB PRO A 43 -12.788 -25.768 21.361 1.00 0.00 C ATOM 669 CG PRO A 43 -12.100 -24.506 20.853 1.00 0.00 C ATOM 670 CD PRO A 43 -13.279 -23.654 20.383 1.00 0.00 C ATOM 0 HA PRO A 43 -13.651 -26.559 19.517 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.149 -25.650 22.383 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.116 -26.626 21.357 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -11.529 -24.011 21.638 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.405 -24.721 20.041 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -13.673 -23.048 21.199 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.974 -22.967 19.594 1.00 0.00 H new ATOM 678 N GLY A 44 -15.112 -28.029 20.830 1.00 0.00 N ATOM 679 CA GLY A 44 -16.239 -28.920 21.161 1.00 0.00 C ATOM 680 C GLY A 44 -17.013 -29.410 19.931 1.00 0.00 C ATOM 681 O GLY A 44 -17.839 -30.318 20.037 1.00 0.00 O ATOM 0 H GLY A 44 -14.306 -28.530 20.455 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.861 -29.782 21.710 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -16.924 -28.394 21.826 1.00 0.00 H new ATOM 685 N ALA A 45 -16.728 -28.829 18.767 1.00 0.00 N ATOM 686 CA ALA A 45 -17.189 -29.278 17.452 1.00 0.00 C ATOM 687 C ALA A 45 -16.603 -30.651 17.045 1.00 0.00 C ATOM 688 O ALA A 45 -15.600 -31.114 17.601 1.00 0.00 O ATOM 689 CB ALA A 45 -16.803 -28.194 16.436 1.00 0.00 C ATOM 0 H ALA A 45 -16.143 -27.995 18.711 1.00 0.00 H new ATOM 0 HA ALA A 45 -18.269 -29.421 17.483 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -17.131 -28.494 15.441 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -17.282 -27.253 16.708 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -15.721 -28.063 16.437 1.00 0.00 H new ATOM 695 N GLY A 46 -17.209 -31.278 16.030 1.00 0.00 N ATOM 696 CA GLY A 46 -16.758 -32.554 15.457 1.00 0.00 C ATOM 697 C GLY A 46 -17.633 -33.062 14.312 1.00 0.00 C ATOM 698 O GLY A 46 -18.787 -32.660 14.163 1.00 0.00 O ATOM 0 H GLY A 46 -18.043 -30.907 15.574 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -15.736 -32.438 15.096 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -16.735 -33.307 16.245 1.00 0.00 H new ATOM 702 N SER A 47 -17.088 -33.978 13.511 1.00 0.00 N ATOM 703 CA SER A 47 -17.794 -34.643 12.399 1.00 0.00 C ATOM 704 C SER A 47 -18.680 -35.823 12.855 1.00 0.00 C ATOM 705 O SER A 47 -19.476 -36.352 12.076 1.00 0.00 O ATOM 706 CB SER A 47 -16.759 -35.123 11.369 1.00 0.00 C ATOM 707 OG SER A 47 -15.775 -35.965 11.961 1.00 0.00 O ATOM 0 H SER A 47 -16.122 -34.290 13.614 1.00 0.00 H new ATOM 0 HA SER A 47 -18.470 -33.912 11.956 1.00 0.00 H new ATOM 0 HB2 SER A 47 -17.266 -35.663 10.569 1.00 0.00 H new ATOM 0 HB3 SER A 47 -16.273 -34.260 10.913 1.00 0.00 H new ATOM 0 HG SER A 47 -15.135 -36.252 11.276 1.00 0.00 H new ATOM 713 N SER A 48 -18.560 -36.243 14.117 1.00 0.00 N ATOM 714 CA SER A 48 -19.269 -37.338 14.800 1.00 0.00 C ATOM 715 C SER A 48 -18.937 -37.315 16.308 1.00 0.00 C ATOM 716 O SER A 48 -18.049 -36.580 16.743 1.00 0.00 O ATOM 717 CB SER A 48 -18.881 -38.703 14.194 1.00 0.00 C ATOM 718 OG SER A 48 -19.449 -38.875 12.904 1.00 0.00 O ATOM 0 H SER A 48 -17.904 -35.785 14.749 1.00 0.00 H new ATOM 0 HA SER A 48 -20.341 -37.195 14.664 1.00 0.00 H new ATOM 0 HB2 SER A 48 -17.796 -38.779 14.129 1.00 0.00 H new ATOM 0 HB3 SER A 48 -19.218 -39.504 14.852 1.00 0.00 H new ATOM 0 HG SER A 48 -19.790 -38.015 12.579 1.00 0.00 H new ATOM 724 N SER A 49 -19.671 -38.074 17.131 1.00 0.00 N ATOM 725 CA SER A 49 -19.403 -38.368 18.563 1.00 0.00 C ATOM 726 C SER A 49 -19.599 -37.182 19.534 1.00 0.00 C ATOM 727 O SER A 49 -19.954 -37.395 20.695 1.00 0.00 O ATOM 728 CB SER A 49 -17.995 -38.964 18.755 1.00 0.00 C ATOM 729 OG SER A 49 -17.807 -40.124 17.951 1.00 0.00 O ATOM 0 H SER A 49 -20.522 -38.532 16.805 1.00 0.00 H new ATOM 0 HA SER A 49 -20.168 -39.098 18.829 1.00 0.00 H new ATOM 0 HB2 SER A 49 -17.244 -38.217 18.499 1.00 0.00 H new ATOM 0 HB3 SER A 49 -17.846 -39.219 19.804 1.00 0.00 H new ATOM 0 HG SER A 49 -16.904 -40.478 18.093 1.00 0.00 H new ATOM 735 N VAL A 50 -19.404 -35.940 19.077 1.00 0.00 N ATOM 736 CA VAL A 50 -19.557 -34.696 19.851 1.00 0.00 C ATOM 737 C VAL A 50 -19.845 -33.507 18.922 1.00 0.00 C ATOM 738 O VAL A 50 -19.325 -33.446 17.805 1.00 0.00 O ATOM 739 CB VAL A 50 -18.321 -34.441 20.756 1.00 0.00 C ATOM 740 CG1 VAL A 50 -17.054 -34.059 19.968 1.00 0.00 C ATOM 741 CG2 VAL A 50 -18.612 -33.381 21.831 1.00 0.00 C ATOM 0 H VAL A 50 -19.122 -35.763 18.113 1.00 0.00 H new ATOM 0 HA VAL A 50 -20.417 -34.809 20.512 1.00 0.00 H new ATOM 0 HB VAL A 50 -18.120 -35.395 21.244 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -16.230 -33.895 20.662 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -16.796 -34.865 19.281 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -17.239 -33.146 19.402 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -17.723 -33.231 22.444 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -18.885 -32.441 21.351 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -19.435 -33.719 22.462 1.00 0.00 H new ATOM 751 N PHE A 51 -20.674 -32.567 19.392 1.00 0.00 N ATOM 752 CA PHE A 51 -21.044 -31.336 18.681 1.00 0.00 C ATOM 753 C PHE A 51 -21.460 -30.230 19.674 1.00 0.00 C ATOM 754 O PHE A 51 -22.498 -29.583 19.550 1.00 0.00 O ATOM 755 CB PHE A 51 -22.105 -31.646 17.603 1.00 0.00 C ATOM 756 CG PHE A 51 -22.251 -30.555 16.555 1.00 0.00 C ATOM 757 CD1 PHE A 51 -21.245 -30.387 15.584 1.00 0.00 C ATOM 758 CD2 PHE A 51 -23.376 -29.706 16.544 1.00 0.00 C ATOM 759 CE1 PHE A 51 -21.357 -29.374 14.616 1.00 0.00 C ATOM 760 CE2 PHE A 51 -23.487 -28.693 15.575 1.00 0.00 C ATOM 761 CZ PHE A 51 -22.480 -28.526 14.608 1.00 0.00 C ATOM 0 H PHE A 51 -21.120 -32.644 20.306 1.00 0.00 H new ATOM 0 HA PHE A 51 -20.177 -30.940 18.153 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -21.843 -32.581 17.107 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -23.068 -31.802 18.089 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -20.384 -31.039 15.583 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -24.155 -29.834 17.281 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -20.580 -29.246 13.877 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -24.348 -28.041 15.574 1.00 0.00 H new ATOM 0 HZ PHE A 51 -22.568 -27.750 13.862 1.00 0.00 H new ATOM 771 N SER A 52 -20.632 -30.011 20.695 1.00 0.00 N ATOM 772 CA SER A 52 -20.819 -28.998 21.748 1.00 0.00 C ATOM 773 C SER A 52 -20.490 -27.581 21.221 1.00 0.00 C ATOM 774 O SER A 52 -19.558 -26.927 21.691 1.00 0.00 O ATOM 775 CB SER A 52 -19.972 -29.370 22.982 1.00 0.00 C ATOM 776 OG SER A 52 -20.330 -30.649 23.488 1.00 0.00 O ATOM 0 H SER A 52 -19.777 -30.553 20.821 1.00 0.00 H new ATOM 0 HA SER A 52 -21.867 -28.983 22.049 1.00 0.00 H new ATOM 0 HB2 SER A 52 -18.915 -29.365 22.715 1.00 0.00 H new ATOM 0 HB3 SER A 52 -20.108 -28.618 23.759 1.00 0.00 H new ATOM 0 HG SER A 52 -19.776 -30.859 24.269 1.00 0.00 H new ATOM 782 N VAL A 53 -21.233 -27.130 20.202 1.00 0.00 N ATOM 783 CA VAL A 53 -20.959 -25.914 19.413 1.00 0.00 C ATOM 784 C VAL A 53 -22.247 -25.373 18.768 1.00 0.00 C ATOM 785 O VAL A 53 -23.167 -26.138 18.476 1.00 0.00 O ATOM 786 CB VAL A 53 -19.860 -26.198 18.350 1.00 0.00 C ATOM 787 CG1 VAL A 53 -20.334 -27.162 17.246 1.00 0.00 C ATOM 788 CG2 VAL A 53 -19.317 -24.912 17.703 1.00 0.00 C ATOM 0 H VAL A 53 -22.073 -27.617 19.890 1.00 0.00 H new ATOM 0 HA VAL A 53 -20.586 -25.140 20.084 1.00 0.00 H new ATOM 0 HB VAL A 53 -19.053 -26.677 18.904 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -19.526 -27.323 16.532 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -20.620 -28.114 17.693 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -21.192 -26.731 16.731 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -18.553 -25.169 16.969 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -20.131 -24.381 17.209 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.882 -24.274 18.472 1.00 0.00 H new ATOM 798 N LEU A 54 -22.285 -24.056 18.522 1.00 0.00 N ATOM 799 CA LEU A 54 -23.333 -23.372 17.750 1.00 0.00 C ATOM 800 C LEU A 54 -22.735 -22.132 17.069 1.00 0.00 C ATOM 801 O LEU A 54 -22.477 -22.152 15.869 1.00 0.00 O ATOM 802 CB LEU A 54 -24.539 -23.073 18.673 1.00 0.00 C ATOM 803 CG LEU A 54 -25.715 -22.336 17.991 1.00 0.00 C ATOM 804 CD1 LEU A 54 -26.301 -23.138 16.821 1.00 0.00 C ATOM 805 CD2 LEU A 54 -26.816 -22.063 19.028 1.00 0.00 C ATOM 0 H LEU A 54 -21.567 -23.418 18.865 1.00 0.00 H new ATOM 0 HA LEU A 54 -23.715 -24.005 16.949 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -24.907 -24.014 19.081 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -24.193 -22.474 19.515 1.00 0.00 H new ATOM 0 HG LEU A 54 -25.330 -21.399 17.588 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -27.124 -22.580 16.374 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -25.527 -23.307 16.072 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -26.669 -24.097 17.185 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -27.646 -21.543 18.549 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -27.169 -23.008 19.441 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -26.415 -21.444 19.830 1.00 0.00 H new ATOM 817 N SER A 55 -22.455 -21.075 17.833 1.00 0.00 N ATOM 818 CA SER A 55 -21.694 -19.878 17.422 1.00 0.00 C ATOM 819 C SER A 55 -21.300 -19.026 18.643 1.00 0.00 C ATOM 820 O SER A 55 -22.131 -18.734 19.506 1.00 0.00 O ATOM 821 CB SER A 55 -22.482 -19.010 16.424 1.00 0.00 C ATOM 822 OG SER A 55 -22.506 -19.591 15.129 1.00 0.00 O ATOM 0 H SER A 55 -22.764 -21.021 18.803 1.00 0.00 H new ATOM 0 HA SER A 55 -20.791 -20.237 16.927 1.00 0.00 H new ATOM 0 HB2 SER A 55 -23.503 -18.878 16.783 1.00 0.00 H new ATOM 0 HB3 SER A 55 -22.033 -18.018 16.370 1.00 0.00 H new ATOM 0 HG SER A 55 -22.274 -20.541 15.192 1.00 0.00 H new ATOM 828 N ASN A 56 -20.027 -18.625 18.719 1.00 0.00 N ATOM 829 CA ASN A 56 -19.484 -17.756 19.768 1.00 0.00 C ATOM 830 C ASN A 56 -19.751 -16.267 19.473 1.00 0.00 C ATOM 831 O ASN A 56 -20.143 -15.890 18.368 1.00 0.00 O ATOM 832 CB ASN A 56 -17.965 -18.009 19.871 1.00 0.00 C ATOM 833 CG ASN A 56 -17.334 -17.603 21.203 1.00 0.00 C ATOM 834 OD1 ASN A 56 -17.992 -17.138 22.128 1.00 0.00 O ATOM 835 ND2 ASN A 56 -16.031 -17.768 21.339 1.00 0.00 N ATOM 0 H ASN A 56 -19.326 -18.904 18.033 1.00 0.00 H new ATOM 0 HA ASN A 56 -19.978 -17.991 20.711 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -17.776 -19.069 19.704 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -17.466 -17.466 19.069 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.573 -17.509 22.213 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -15.483 -18.155 20.571 1.00 0.00 H new ATOM 842 N SER A 57 -19.498 -15.397 20.449 1.00 0.00 N ATOM 843 CA SER A 57 -19.488 -13.943 20.255 1.00 0.00 C ATOM 844 C SER A 57 -18.193 -13.462 19.565 1.00 0.00 C ATOM 845 O SER A 57 -17.176 -14.163 19.554 1.00 0.00 O ATOM 846 CB SER A 57 -19.683 -13.233 21.604 1.00 0.00 C ATOM 847 OG SER A 57 -20.867 -13.681 22.253 1.00 0.00 O ATOM 0 H SER A 57 -19.292 -15.681 21.407 1.00 0.00 H new ATOM 0 HA SER A 57 -20.316 -13.687 19.594 1.00 0.00 H new ATOM 0 HB2 SER A 57 -18.821 -13.420 22.244 1.00 0.00 H new ATOM 0 HB3 SER A 57 -19.736 -12.156 21.447 1.00 0.00 H new ATOM 0 HG SER A 57 -20.967 -13.215 23.109 1.00 0.00 H new ATOM 853 N ALA A 58 -18.220 -12.249 19.001 1.00 0.00 N ATOM 854 CA ALA A 58 -17.046 -11.581 18.441 1.00 0.00 C ATOM 855 C ALA A 58 -16.174 -10.972 19.553 1.00 0.00 C ATOM 856 O ALA A 58 -16.678 -10.679 20.639 1.00 0.00 O ATOM 857 CB ALA A 58 -17.538 -10.508 17.462 1.00 0.00 C ATOM 0 H ALA A 58 -19.074 -11.697 18.921 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.419 -12.300 17.915 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.682 -9.992 17.028 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -18.119 -10.978 16.669 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -18.163 -9.790 17.993 1.00 0.00 H new ATOM 863 N GLU A 59 -14.893 -10.709 19.281 1.00 0.00 N ATOM 864 CA GLU A 59 -13.964 -10.137 20.266 1.00 0.00 C ATOM 865 C GLU A 59 -12.838 -9.332 19.602 1.00 0.00 C ATOM 866 O GLU A 59 -12.274 -9.767 18.601 1.00 0.00 O ATOM 867 CB GLU A 59 -13.402 -11.257 21.167 1.00 0.00 C ATOM 868 CG GLU A 59 -12.554 -10.714 22.321 1.00 0.00 C ATOM 869 CD GLU A 59 -12.140 -11.836 23.283 1.00 0.00 C ATOM 870 OE1 GLU A 59 -11.276 -12.672 22.920 1.00 0.00 O ATOM 871 OE2 GLU A 59 -12.682 -11.879 24.414 1.00 0.00 O ATOM 0 H GLU A 59 -14.468 -10.886 18.371 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.519 -9.433 20.885 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.228 -11.842 21.572 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.797 -11.934 20.564 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -11.664 -10.226 21.923 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.118 -9.956 22.864 1.00 0.00 H new ATOM 878 N VAL A 60 -12.489 -8.177 20.175 1.00 0.00 N ATOM 879 CA VAL A 60 -11.317 -7.372 19.787 1.00 0.00 C ATOM 880 C VAL A 60 -10.062 -7.935 20.471 1.00 0.00 C ATOM 881 O VAL A 60 -10.027 -8.067 21.694 1.00 0.00 O ATOM 882 CB VAL A 60 -11.480 -5.883 20.159 1.00 0.00 C ATOM 883 CG1 VAL A 60 -10.313 -5.048 19.604 1.00 0.00 C ATOM 884 CG2 VAL A 60 -12.791 -5.289 19.618 1.00 0.00 C ATOM 0 H VAL A 60 -13.022 -7.762 20.939 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.221 -7.431 18.703 1.00 0.00 H new ATOM 0 HB VAL A 60 -11.493 -5.842 21.248 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.451 -4.002 19.879 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.374 -5.412 20.021 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -10.286 -5.137 18.518 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -12.861 -4.240 19.905 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.806 -5.370 18.531 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.637 -5.836 20.034 1.00 0.00 H new ATOM 894 N LYS A 61 -9.030 -8.248 19.686 1.00 0.00 N ATOM 895 CA LYS A 61 -7.810 -8.959 20.104 1.00 0.00 C ATOM 896 C LYS A 61 -6.526 -8.282 19.556 1.00 0.00 C ATOM 897 O LYS A 61 -6.603 -7.287 18.827 1.00 0.00 O ATOM 898 CB LYS A 61 -7.936 -10.442 19.675 1.00 0.00 C ATOM 899 CG LYS A 61 -9.209 -11.113 20.227 1.00 0.00 C ATOM 900 CD LYS A 61 -9.308 -12.617 19.935 1.00 0.00 C ATOM 901 CE LYS A 61 -8.379 -13.510 20.775 1.00 0.00 C ATOM 902 NZ LYS A 61 -8.662 -13.409 22.234 1.00 0.00 N ATOM 0 H LYS A 61 -9.016 -8.004 18.696 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.712 -8.914 21.189 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.941 -10.502 18.587 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.061 -10.992 20.021 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -9.247 -10.961 21.306 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.081 -10.614 19.804 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.337 -12.936 20.099 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -9.087 -12.781 18.880 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.490 -14.547 20.457 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -7.343 -13.229 20.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.349 -14.280 22.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -8.151 -12.595 22.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -9.684 -13.282 22.381 1.00 0.00 H new ATOM 916 N ARG A 62 -5.349 -8.787 19.957 1.00 0.00 N ATOM 917 CA ARG A 62 -4.025 -8.173 19.726 1.00 0.00 C ATOM 918 C ARG A 62 -2.946 -9.221 19.397 1.00 0.00 C ATOM 919 O ARG A 62 -2.925 -10.287 20.013 1.00 0.00 O ATOM 920 CB ARG A 62 -3.635 -7.369 20.985 1.00 0.00 C ATOM 921 CG ARG A 62 -2.268 -6.660 20.887 1.00 0.00 C ATOM 922 CD ARG A 62 -2.004 -5.729 22.082 1.00 0.00 C ATOM 923 NE ARG A 62 -1.900 -6.477 23.352 1.00 0.00 N ATOM 924 CZ ARG A 62 -1.905 -5.966 24.579 1.00 0.00 C ATOM 925 NH1 ARG A 62 -1.992 -4.669 24.791 1.00 0.00 N ATOM 926 NH2 ARG A 62 -1.823 -6.764 25.621 1.00 0.00 N ATOM 0 H ARG A 62 -5.287 -9.666 20.470 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.091 -7.515 18.859 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.405 -6.622 21.178 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -3.621 -8.042 21.842 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.477 -7.408 20.831 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.227 -6.082 19.964 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -1.082 -5.173 21.912 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -2.809 -4.997 22.157 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.816 -7.491 23.280 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -2.058 -4.026 24.002 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -1.993 -4.307 25.745 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.756 -7.773 25.487 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.827 -6.374 26.564 1.00 0.00 H new ATOM 940 N GLU A 63 -2.014 -8.864 18.504 1.00 0.00 N ATOM 941 CA GLU A 63 -0.813 -9.612 18.082 1.00 0.00 C ATOM 942 C GLU A 63 -0.030 -8.776 17.051 1.00 0.00 C ATOM 943 O GLU A 63 -0.269 -7.570 16.940 1.00 0.00 O ATOM 944 CB GLU A 63 -1.128 -11.061 17.631 1.00 0.00 C ATOM 945 CG GLU A 63 -2.138 -11.171 16.484 1.00 0.00 C ATOM 946 CD GLU A 63 -2.589 -12.627 16.256 1.00 0.00 C ATOM 947 OE1 GLU A 63 -3.065 -13.288 17.212 1.00 0.00 O ATOM 948 OE2 GLU A 63 -2.489 -13.124 15.110 1.00 0.00 O ATOM 0 H GLU A 63 -2.082 -7.971 18.015 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.162 -9.758 18.944 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.199 -11.542 17.326 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.509 -11.618 18.487 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.007 -10.552 16.705 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.693 -10.781 15.569 1.00 0.00 H new ATOM 955 N ARG A 64 0.923 -9.368 16.323 1.00 0.00 N ATOM 956 CA ARG A 64 1.797 -8.655 15.377 1.00 0.00 C ATOM 957 C ARG A 64 1.423 -8.860 13.903 1.00 0.00 C ATOM 958 O ARG A 64 0.934 -9.918 13.499 1.00 0.00 O ATOM 959 CB ARG A 64 3.260 -9.045 15.619 1.00 0.00 C ATOM 960 CG ARG A 64 3.769 -8.462 16.949 1.00 0.00 C ATOM 961 CD ARG A 64 5.255 -8.767 17.186 1.00 0.00 C ATOM 962 NE ARG A 64 6.103 -8.226 16.107 1.00 0.00 N ATOM 963 CZ ARG A 64 6.629 -7.017 15.992 1.00 0.00 C ATOM 964 NH1 ARG A 64 6.507 -6.078 16.910 1.00 0.00 N ATOM 965 NH2 ARG A 64 7.297 -6.765 14.892 1.00 0.00 N ATOM 0 H ARG A 64 1.114 -10.369 16.373 1.00 0.00 H new ATOM 0 HA ARG A 64 1.655 -7.592 15.572 1.00 0.00 H new ATOM 0 HB2 ARG A 64 3.354 -10.131 15.633 1.00 0.00 H new ATOM 0 HB3 ARG A 64 3.878 -8.682 14.798 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.617 -7.383 16.952 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.181 -8.870 17.771 1.00 0.00 H new ATOM 0 HD2 ARG A 64 5.566 -8.342 18.140 1.00 0.00 H new ATOM 0 HD3 ARG A 64 5.398 -9.845 17.255 1.00 0.00 H new ATOM 0 HE ARG A 64 6.313 -8.872 15.346 1.00 0.00 H new ATOM 0 HH11 ARG A 64 5.984 -6.266 17.765 1.00 0.00 H new ATOM 0 HH12 ARG A 64 6.936 -5.164 16.765 1.00 0.00 H new ATOM 0 HH21 ARG A 64 7.391 -7.485 14.176 1.00 0.00 H new ATOM 0 HH22 ARG A 64 7.723 -5.849 14.752 1.00 0.00 H new ATOM 979 N LEU A 65 1.713 -7.838 13.091 1.00 0.00 N ATOM 980 CA LEU A 65 1.416 -7.762 11.658 1.00 0.00 C ATOM 981 C LEU A 65 1.908 -9.005 10.918 1.00 0.00 C ATOM 982 O LEU A 65 1.092 -9.688 10.315 1.00 0.00 O ATOM 983 CB LEU A 65 2.052 -6.478 11.090 1.00 0.00 C ATOM 984 CG LEU A 65 1.806 -6.270 9.578 1.00 0.00 C ATOM 985 CD1 LEU A 65 0.340 -5.912 9.304 1.00 0.00 C ATOM 986 CD2 LEU A 65 2.733 -5.175 9.040 1.00 0.00 C ATOM 0 H LEU A 65 2.184 -7.001 13.433 1.00 0.00 H new ATOM 0 HA LEU A 65 0.336 -7.725 11.514 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.658 -5.619 11.633 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.126 -6.506 11.272 1.00 0.00 H new ATOM 0 HG LEU A 65 2.026 -7.205 9.063 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.194 -5.771 8.233 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.303 -6.719 9.655 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.086 -4.991 9.829 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.552 -5.036 7.974 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.536 -4.241 9.566 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.771 -5.468 9.196 1.00 0.00 H new ATOM 998 N GLU A 66 3.203 -9.318 10.987 1.00 0.00 N ATOM 999 CA GLU A 66 3.824 -10.413 10.238 1.00 0.00 C ATOM 1000 C GLU A 66 3.179 -11.785 10.512 1.00 0.00 C ATOM 1001 O GLU A 66 3.050 -12.589 9.588 1.00 0.00 O ATOM 1002 CB GLU A 66 5.350 -10.429 10.465 1.00 0.00 C ATOM 1003 CG GLU A 66 5.844 -10.605 11.916 1.00 0.00 C ATOM 1004 CD GLU A 66 6.038 -9.297 12.707 1.00 0.00 C ATOM 1005 OE1 GLU A 66 5.266 -8.332 12.517 1.00 0.00 O ATOM 1006 OE2 GLU A 66 6.952 -9.239 13.563 1.00 0.00 O ATOM 0 H GLU A 66 3.862 -8.809 11.576 1.00 0.00 H new ATOM 0 HA GLU A 66 3.639 -10.219 9.181 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.773 -11.234 9.864 1.00 0.00 H new ATOM 0 HB3 GLU A 66 5.759 -9.495 10.080 1.00 0.00 H new ATOM 0 HG2 GLU A 66 5.132 -11.232 12.452 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.792 -11.143 11.897 1.00 0.00 H new ATOM 1013 N ASP A 67 2.692 -12.042 11.733 1.00 0.00 N ATOM 1014 CA ASP A 67 1.979 -13.290 12.049 1.00 0.00 C ATOM 1015 C ASP A 67 0.539 -13.290 11.494 1.00 0.00 C ATOM 1016 O ASP A 67 0.027 -14.339 11.105 1.00 0.00 O ATOM 1017 CB ASP A 67 2.004 -13.519 13.567 1.00 0.00 C ATOM 1018 CG ASP A 67 1.605 -14.960 13.936 1.00 0.00 C ATOM 1019 OD1 ASP A 67 2.288 -15.911 13.487 1.00 0.00 O ATOM 1020 OD2 ASP A 67 0.635 -15.139 14.708 1.00 0.00 O ATOM 0 H ASP A 67 2.778 -11.401 12.522 1.00 0.00 H new ATOM 0 HA ASP A 67 2.491 -14.118 11.558 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.003 -13.309 13.950 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.324 -12.818 14.051 1.00 0.00 H new ATOM 1025 N VAL A 68 -0.083 -12.107 11.392 1.00 0.00 N ATOM 1026 CA VAL A 68 -1.386 -11.887 10.746 1.00 0.00 C ATOM 1027 C VAL A 68 -1.284 -11.969 9.208 1.00 0.00 C ATOM 1028 O VAL A 68 -2.115 -12.623 8.584 1.00 0.00 O ATOM 1029 CB VAL A 68 -2.018 -10.548 11.204 1.00 0.00 C ATOM 1030 CG1 VAL A 68 -3.253 -10.141 10.386 1.00 0.00 C ATOM 1031 CG2 VAL A 68 -2.431 -10.629 12.681 1.00 0.00 C ATOM 0 H VAL A 68 0.319 -11.249 11.769 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.048 -12.692 11.065 1.00 0.00 H new ATOM 0 HB VAL A 68 -1.247 -9.793 11.049 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -3.643 -9.195 10.762 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.974 -10.028 9.338 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -4.019 -10.911 10.477 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -2.873 -9.681 12.988 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.160 -11.429 12.812 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -1.553 -10.835 13.293 1.00 0.00 H new ATOM 1041 N VAL A 69 -0.275 -11.332 8.592 1.00 0.00 N ATOM 1042 CA VAL A 69 -0.085 -11.288 7.137 1.00 0.00 C ATOM 1043 C VAL A 69 0.662 -12.505 6.565 1.00 0.00 C ATOM 1044 O VAL A 69 0.761 -12.634 5.346 1.00 0.00 O ATOM 1045 CB VAL A 69 0.597 -9.976 6.685 1.00 0.00 C ATOM 1046 CG1 VAL A 69 -0.267 -8.755 7.046 1.00 0.00 C ATOM 1047 CG2 VAL A 69 2.046 -9.755 7.136 1.00 0.00 C ATOM 0 H VAL A 69 0.445 -10.823 9.104 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.093 -11.323 6.724 1.00 0.00 H new ATOM 0 HB VAL A 69 0.673 -10.093 5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.234 -7.845 6.718 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.235 -8.835 6.551 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.414 -8.719 8.126 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.405 -8.800 6.752 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.091 -9.749 8.225 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.673 -10.559 6.751 1.00 0.00 H new ATOM 1057 N GLY A 70 1.175 -13.411 7.408 1.00 0.00 N ATOM 1058 CA GLY A 70 1.875 -14.630 6.982 1.00 0.00 C ATOM 1059 C GLY A 70 0.990 -15.514 6.098 1.00 0.00 C ATOM 1060 O GLY A 70 -0.052 -16.004 6.538 1.00 0.00 O ATOM 0 H GLY A 70 1.114 -13.316 8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.778 -14.358 6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 70 2.190 -15.194 7.860 1.00 0.00 H new ATOM 1064 N GLY A 71 1.392 -15.683 4.831 1.00 0.00 N ATOM 1065 CA GLY A 71 0.654 -16.443 3.809 1.00 0.00 C ATOM 1066 C GLY A 71 -0.594 -15.744 3.254 1.00 0.00 C ATOM 1067 O GLY A 71 -1.357 -16.376 2.521 1.00 0.00 O ATOM 0 H GLY A 71 2.262 -15.285 4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.329 -16.659 2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.356 -17.401 4.235 1.00 0.00 H new ATOM 1071 N CYS A 72 -0.823 -14.473 3.607 1.00 0.00 N ATOM 1072 CA CYS A 72 -2.042 -13.708 3.307 1.00 0.00 C ATOM 1073 C CYS A 72 -1.748 -12.406 2.533 1.00 0.00 C ATOM 1074 O CYS A 72 -0.687 -11.794 2.694 1.00 0.00 O ATOM 1075 CB CYS A 72 -2.753 -13.366 4.630 1.00 0.00 C ATOM 1076 SG CYS A 72 -3.142 -14.873 5.572 1.00 0.00 S ATOM 0 H CYS A 72 -0.138 -13.927 4.130 1.00 0.00 H new ATOM 0 HA CYS A 72 -2.675 -14.326 2.671 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -2.119 -12.712 5.229 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -3.671 -12.816 4.422 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.042 -15.401 6.020 1.00 0.00 H new ATOM 1082 N CYS A 73 -2.717 -11.953 1.731 1.00 0.00 N ATOM 1083 CA CYS A 73 -2.700 -10.628 1.092 1.00 0.00 C ATOM 1084 C CYS A 73 -3.300 -9.565 2.031 1.00 0.00 C ATOM 1085 O CYS A 73 -4.059 -9.886 2.949 1.00 0.00 O ATOM 1086 CB CYS A 73 -3.429 -10.699 -0.264 1.00 0.00 C ATOM 1087 SG CYS A 73 -2.545 -11.843 -1.369 1.00 0.00 S ATOM 0 H CYS A 73 -3.547 -12.501 1.503 1.00 0.00 H new ATOM 0 HA CYS A 73 -1.671 -10.326 0.899 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.455 -11.036 -0.120 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -3.479 -9.708 -0.714 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.161 -11.905 -2.512 1.00 0.00 H new ATOM 1093 N TYR A 74 -2.996 -8.290 1.786 1.00 0.00 N ATOM 1094 CA TYR A 74 -3.493 -7.150 2.577 1.00 0.00 C ATOM 1095 C TYR A 74 -3.373 -5.799 1.847 1.00 0.00 C ATOM 1096 O TYR A 74 -2.681 -5.704 0.833 1.00 0.00 O ATOM 1097 CB TYR A 74 -2.810 -7.112 3.961 1.00 0.00 C ATOM 1098 CG TYR A 74 -1.313 -6.852 3.978 1.00 0.00 C ATOM 1099 CD1 TYR A 74 -0.412 -7.906 3.730 1.00 0.00 C ATOM 1100 CD2 TYR A 74 -0.813 -5.574 4.302 1.00 0.00 C ATOM 1101 CE1 TYR A 74 0.976 -7.692 3.821 1.00 0.00 C ATOM 1102 CE2 TYR A 74 0.574 -5.354 4.402 1.00 0.00 C ATOM 1103 CZ TYR A 74 1.473 -6.420 4.174 1.00 0.00 C ATOM 1104 OH TYR A 74 2.813 -6.225 4.287 1.00 0.00 O ATOM 0 H TYR A 74 -2.386 -8.009 1.018 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.562 -7.310 2.719 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -3.296 -6.341 4.559 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -2.995 -8.064 4.458 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -0.788 -8.884 3.469 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.499 -4.758 4.475 1.00 0.00 H new ATOM 0 HE1 TYR A 74 1.661 -8.502 3.620 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.950 -4.373 4.652 1.00 0.00 H new ATOM 0 HH TYR A 74 3.005 -5.264 4.281 1.00 0.00 H new ATOM 1114 N ARG A 75 -4.016 -4.747 2.380 1.00 0.00 N ATOM 1115 CA ARG A 75 -3.969 -3.352 1.884 1.00 0.00 C ATOM 1116 C ARG A 75 -4.570 -2.394 2.934 1.00 0.00 C ATOM 1117 O ARG A 75 -5.457 -2.810 3.672 1.00 0.00 O ATOM 1118 CB ARG A 75 -4.745 -3.269 0.544 1.00 0.00 C ATOM 1119 CG ARG A 75 -4.485 -2.016 -0.310 1.00 0.00 C ATOM 1120 CD ARG A 75 -3.048 -1.952 -0.851 1.00 0.00 C ATOM 1121 NE ARG A 75 -2.879 -0.830 -1.788 1.00 0.00 N ATOM 1122 CZ ARG A 75 -1.761 -0.510 -2.433 1.00 0.00 C ATOM 1123 NH1 ARG A 75 -0.636 -1.173 -2.251 1.00 0.00 N ATOM 1124 NH2 ARG A 75 -1.761 0.498 -3.280 1.00 0.00 N ATOM 0 H ARG A 75 -4.610 -4.844 3.204 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.935 -3.052 1.714 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.497 -4.148 -0.051 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.812 -3.321 0.761 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.184 -2.000 -1.146 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.683 -1.127 0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.349 -1.844 -0.021 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.804 -2.888 -1.353 1.00 0.00 H new ATOM 0 HE ARG A 75 -3.696 -0.243 -1.959 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.606 -1.957 -1.599 1.00 0.00 H new ATOM 0 HH12 ARG A 75 0.204 -0.902 -2.762 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -2.616 1.030 -3.439 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.906 0.747 -3.777 1.00 0.00 H new ATOM 1138 N VAL A 76 -4.125 -1.134 3.015 1.00 0.00 N ATOM 1139 CA VAL A 76 -4.778 -0.104 3.866 1.00 0.00 C ATOM 1140 C VAL A 76 -5.908 0.585 3.089 1.00 0.00 C ATOM 1141 O VAL A 76 -5.745 0.888 1.908 1.00 0.00 O ATOM 1142 CB VAL A 76 -3.772 0.921 4.453 1.00 0.00 C ATOM 1143 CG1 VAL A 76 -4.412 2.127 5.172 1.00 0.00 C ATOM 1144 CG2 VAL A 76 -2.851 0.220 5.465 1.00 0.00 C ATOM 0 H VAL A 76 -3.312 -0.792 2.503 1.00 0.00 H new ATOM 0 HA VAL A 76 -5.209 -0.616 4.726 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.234 1.309 3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -3.628 2.785 5.547 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.042 2.675 4.472 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.018 1.774 6.006 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.145 0.942 5.876 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.451 -0.201 6.272 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.303 -0.579 4.966 1.00 0.00 H new ATOM 1154 N ASN A 77 -7.041 0.834 3.756 1.00 0.00 N ATOM 1155 CA ASN A 77 -8.232 1.475 3.184 1.00 0.00 C ATOM 1156 C ASN A 77 -8.775 2.601 4.092 1.00 0.00 C ATOM 1157 O ASN A 77 -9.005 2.404 5.285 1.00 0.00 O ATOM 1158 CB ASN A 77 -9.296 0.393 2.921 1.00 0.00 C ATOM 1159 CG ASN A 77 -10.581 0.903 2.266 1.00 0.00 C ATOM 1160 OD1 ASN A 77 -10.769 2.081 1.987 1.00 0.00 O ATOM 1161 ND2 ASN A 77 -11.531 0.033 2.010 1.00 0.00 N ATOM 0 H ASN A 77 -7.158 0.588 4.739 1.00 0.00 H new ATOM 0 HA ASN A 77 -7.962 1.954 2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -8.861 -0.377 2.284 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -9.552 -0.083 3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -12.406 0.343 1.586 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -11.394 -0.952 2.235 1.00 0.00 H new ATOM 1168 N ASN A 78 -9.025 3.773 3.490 1.00 0.00 N ATOM 1169 CA ASN A 78 -9.509 4.996 4.141 1.00 0.00 C ATOM 1170 C ASN A 78 -10.817 5.535 3.530 1.00 0.00 C ATOM 1171 O ASN A 78 -11.091 6.725 3.613 1.00 0.00 O ATOM 1172 CB ASN A 78 -8.371 6.031 4.066 1.00 0.00 C ATOM 1173 CG ASN A 78 -7.231 5.659 4.999 1.00 0.00 C ATOM 1174 OD1 ASN A 78 -6.098 5.468 4.579 1.00 0.00 O ATOM 1175 ND2 ASN A 78 -7.507 5.518 6.281 1.00 0.00 N ATOM 0 H ASN A 78 -8.888 3.898 2.487 1.00 0.00 H new ATOM 0 HA ASN A 78 -9.765 4.776 5.177 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -8.001 6.096 3.043 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -8.754 7.017 4.330 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -6.772 5.247 6.934 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -8.456 5.680 6.619 1.00 0.00 H new ATOM 1182 N SER A 79 -11.646 4.689 2.913 1.00 0.00 N ATOM 1183 CA SER A 79 -12.825 5.131 2.133 1.00 0.00 C ATOM 1184 C SER A 79 -13.876 5.915 2.947 1.00 0.00 C ATOM 1185 O SER A 79 -14.640 6.683 2.360 1.00 0.00 O ATOM 1186 CB SER A 79 -13.486 3.928 1.436 1.00 0.00 C ATOM 1187 OG SER A 79 -12.634 3.354 0.450 1.00 0.00 O ATOM 0 H SER A 79 -11.526 3.676 2.935 1.00 0.00 H new ATOM 0 HA SER A 79 -12.439 5.833 1.394 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.742 3.173 2.179 1.00 0.00 H new ATOM 0 HB3 SER A 79 -14.419 4.245 0.970 1.00 0.00 H new ATOM 0 HG SER A 79 -12.007 2.735 0.879 1.00 0.00 H new ATOM 1193 N LEU A 80 -13.900 5.770 4.284 1.00 0.00 N ATOM 1194 CA LEU A 80 -14.697 6.620 5.187 1.00 0.00 C ATOM 1195 C LEU A 80 -13.910 7.817 5.734 1.00 0.00 C ATOM 1196 O LEU A 80 -14.455 8.913 5.788 1.00 0.00 O ATOM 1197 CB LEU A 80 -15.285 5.766 6.326 1.00 0.00 C ATOM 1198 CG LEU A 80 -16.709 5.246 6.046 1.00 0.00 C ATOM 1199 CD1 LEU A 80 -17.078 4.197 7.107 1.00 0.00 C ATOM 1200 CD2 LEU A 80 -17.748 6.380 6.081 1.00 0.00 C ATOM 0 H LEU A 80 -13.362 5.054 4.772 1.00 0.00 H new ATOM 0 HA LEU A 80 -15.512 7.045 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -14.627 4.916 6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -15.298 6.358 7.241 1.00 0.00 H new ATOM 0 HG LEU A 80 -16.718 4.809 5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -18.084 3.824 6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -16.370 3.370 7.062 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -17.042 4.652 8.097 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -18.738 5.972 5.879 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -17.742 6.848 7.065 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -17.500 7.124 5.324 1.00 0.00 H new ATOM 1212 N ASP A 81 -12.627 7.658 6.080 1.00 0.00 N ATOM 1213 CA ASP A 81 -11.765 8.772 6.526 1.00 0.00 C ATOM 1214 C ASP A 81 -11.664 9.878 5.462 1.00 0.00 C ATOM 1215 O ASP A 81 -11.655 11.063 5.789 1.00 0.00 O ATOM 1216 CB ASP A 81 -10.349 8.262 6.836 1.00 0.00 C ATOM 1217 CG ASP A 81 -10.303 7.153 7.875 1.00 0.00 C ATOM 1218 OD1 ASP A 81 -10.396 5.968 7.473 1.00 0.00 O ATOM 1219 OD2 ASP A 81 -10.167 7.491 9.070 1.00 0.00 O ATOM 0 H ASP A 81 -12.152 6.756 6.061 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.223 9.188 7.424 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.895 7.900 5.914 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -9.742 9.097 7.184 1.00 0.00 H new ATOM 1224 N HIS A 82 -11.669 9.463 4.191 1.00 0.00 N ATOM 1225 CA HIS A 82 -11.759 10.291 2.984 1.00 0.00 C ATOM 1226 C HIS A 82 -12.965 11.261 3.003 1.00 0.00 C ATOM 1227 O HIS A 82 -12.895 12.348 2.421 1.00 0.00 O ATOM 1228 CB HIS A 82 -11.851 9.317 1.789 1.00 0.00 C ATOM 1229 CG HIS A 82 -11.946 9.989 0.440 1.00 0.00 C ATOM 1230 ND1 HIS A 82 -13.103 10.358 -0.209 1.00 0.00 N ATOM 1231 CD2 HIS A 82 -10.899 10.335 -0.373 1.00 0.00 C ATOM 1232 CE1 HIS A 82 -12.761 10.918 -1.383 1.00 0.00 C ATOM 1233 NE2 HIS A 82 -11.422 10.923 -1.535 1.00 0.00 N ATOM 0 H HIS A 82 -11.606 8.471 3.963 1.00 0.00 H new ATOM 0 HA HIS A 82 -10.881 10.933 2.914 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -10.975 8.668 1.797 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.723 8.677 1.924 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -14.053 10.229 0.140 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -9.852 10.182 -0.157 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -13.463 11.310 -2.104 1.00 0.00 H new ATOM 1241 N GLU A 83 -14.054 10.894 3.689 1.00 0.00 N ATOM 1242 CA GLU A 83 -15.272 11.698 3.803 1.00 0.00 C ATOM 1243 C GLU A 83 -15.224 12.701 4.972 1.00 0.00 C ATOM 1244 O GLU A 83 -16.045 13.622 5.010 1.00 0.00 O ATOM 1245 CB GLU A 83 -16.506 10.787 3.967 1.00 0.00 C ATOM 1246 CG GLU A 83 -16.656 9.715 2.878 1.00 0.00 C ATOM 1247 CD GLU A 83 -16.752 10.323 1.469 1.00 0.00 C ATOM 1248 OE1 GLU A 83 -17.818 10.893 1.132 1.00 0.00 O ATOM 1249 OE2 GLU A 83 -15.778 10.221 0.685 1.00 0.00 O ATOM 0 H GLU A 83 -14.112 10.008 4.191 1.00 0.00 H new ATOM 0 HA GLU A 83 -15.346 12.272 2.879 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -16.452 10.295 4.938 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -17.402 11.408 3.974 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -15.805 9.035 2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -17.548 9.121 3.076 1.00 0.00 H new ATOM 1256 N TYR A 84 -14.280 12.544 5.912 1.00 0.00 N ATOM 1257 CA TYR A 84 -14.262 13.288 7.177 1.00 0.00 C ATOM 1258 C TYR A 84 -12.995 14.123 7.451 1.00 0.00 C ATOM 1259 O TYR A 84 -13.105 15.337 7.636 1.00 0.00 O ATOM 1260 CB TYR A 84 -14.491 12.302 8.339 1.00 0.00 C ATOM 1261 CG TYR A 84 -15.739 11.438 8.274 1.00 0.00 C ATOM 1262 CD1 TYR A 84 -16.993 11.996 7.952 1.00 0.00 C ATOM 1263 CD2 TYR A 84 -15.638 10.065 8.577 1.00 0.00 C ATOM 1264 CE1 TYR A 84 -18.139 11.178 7.902 1.00 0.00 C ATOM 1265 CE2 TYR A 84 -16.781 9.244 8.540 1.00 0.00 C ATOM 1266 CZ TYR A 84 -18.036 9.798 8.191 1.00 0.00 C ATOM 1267 OH TYR A 84 -19.146 9.011 8.136 1.00 0.00 O ATOM 0 H TYR A 84 -13.502 11.892 5.813 1.00 0.00 H new ATOM 0 HA TYR A 84 -15.063 14.022 7.092 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -13.625 11.643 8.400 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -14.522 12.873 9.267 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -17.075 13.052 7.743 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -14.680 9.641 8.839 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -19.096 11.605 7.643 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -16.701 8.194 8.777 1.00 0.00 H new ATOM 0 HH TYR A 84 -19.769 9.371 7.471 1.00 0.00 H new ATOM 1277 N GLN A 85 -11.820 13.491 7.612 1.00 0.00 N ATOM 1278 CA GLN A 85 -10.916 13.890 8.706 1.00 0.00 C ATOM 1279 C GLN A 85 -9.400 13.962 8.380 1.00 0.00 C ATOM 1280 O GLN A 85 -8.912 13.158 7.581 1.00 0.00 O ATOM 1281 CB GLN A 85 -11.190 12.975 9.909 1.00 0.00 C ATOM 1282 CG GLN A 85 -10.833 11.488 9.733 1.00 0.00 C ATOM 1283 CD GLN A 85 -11.244 10.657 10.947 1.00 0.00 C ATOM 1284 OE1 GLN A 85 -11.856 11.114 11.901 1.00 0.00 O ATOM 1285 NE2 GLN A 85 -10.930 9.393 10.991 1.00 0.00 N ATOM 0 H GLN A 85 -11.482 12.730 7.023 1.00 0.00 H new ATOM 0 HA GLN A 85 -11.151 14.932 8.921 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.636 13.360 10.765 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -12.249 13.045 10.157 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -11.327 11.099 8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.760 11.389 9.571 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -10.419 8.967 10.218 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -11.195 8.829 11.799 1.00 0.00 H new ATOM 1294 N PRO A 86 -8.642 14.861 9.059 1.00 0.00 N ATOM 1295 CA PRO A 86 -7.176 14.942 9.008 1.00 0.00 C ATOM 1296 C PRO A 86 -6.459 13.892 9.874 1.00 0.00 C ATOM 1297 O PRO A 86 -5.243 13.752 9.746 1.00 0.00 O ATOM 1298 CB PRO A 86 -6.831 16.344 9.520 1.00 0.00 C ATOM 1299 CG PRO A 86 -7.940 16.628 10.527 1.00 0.00 C ATOM 1300 CD PRO A 86 -9.149 15.958 9.882 1.00 0.00 C ATOM 0 HA PRO A 86 -6.841 14.748 7.989 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -5.846 16.372 9.987 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.822 17.077 8.713 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.717 16.206 11.507 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.096 17.697 10.669 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.834 15.584 10.643 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.706 16.671 9.274 1.00 0.00 H new ATOM 1308 N ARG A 87 -7.189 13.180 10.755 1.00 0.00 N ATOM 1309 CA ARG A 87 -6.764 11.999 11.528 1.00 0.00 C ATOM 1310 C ARG A 87 -5.948 12.340 12.807 1.00 0.00 C ATOM 1311 O ARG A 87 -4.724 12.486 12.731 1.00 0.00 O ATOM 1312 CB ARG A 87 -6.026 11.030 10.576 1.00 0.00 C ATOM 1313 CG ARG A 87 -6.124 9.547 10.955 1.00 0.00 C ATOM 1314 CD ARG A 87 -7.502 8.976 10.585 1.00 0.00 C ATOM 1315 NE ARG A 87 -7.499 7.502 10.576 1.00 0.00 N ATOM 1316 CZ ARG A 87 -6.942 6.705 9.665 1.00 0.00 C ATOM 1317 NH1 ARG A 87 -6.214 7.150 8.665 1.00 0.00 N ATOM 1318 NH2 ARG A 87 -7.104 5.407 9.745 1.00 0.00 N ATOM 0 H ARG A 87 -8.156 13.433 10.958 1.00 0.00 H new ATOM 0 HA ARG A 87 -7.653 11.509 11.924 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.425 11.159 9.570 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.974 11.311 10.540 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.343 8.984 10.443 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.952 9.429 12.025 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.247 9.334 11.296 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.797 9.345 9.603 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.975 7.042 11.352 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.052 8.151 8.558 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.811 6.494 7.996 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.656 5.008 10.504 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.678 4.796 9.048 1.00 0.00 H new ATOM 1332 N PRO A 88 -6.581 12.405 14.003 1.00 0.00 N ATOM 1333 CA PRO A 88 -5.883 12.500 15.291 1.00 0.00 C ATOM 1334 C PRO A 88 -5.338 11.114 15.653 1.00 0.00 C ATOM 1335 O PRO A 88 -5.934 10.363 16.422 1.00 0.00 O ATOM 1336 CB PRO A 88 -6.927 13.031 16.279 1.00 0.00 C ATOM 1337 CG PRO A 88 -8.225 12.434 15.745 1.00 0.00 C ATOM 1338 CD PRO A 88 -8.020 12.471 14.228 1.00 0.00 C ATOM 0 HA PRO A 88 -5.022 13.169 15.287 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.721 12.707 17.299 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -6.957 14.121 16.291 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -8.381 11.418 16.107 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.094 13.018 16.050 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -8.527 11.634 13.748 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -8.438 13.383 13.802 1.00 0.00 H new ATOM 1346 N VAL A 89 -4.193 10.758 15.068 1.00 0.00 N ATOM 1347 CA VAL A 89 -3.633 9.393 15.115 1.00 0.00 C ATOM 1348 C VAL A 89 -3.345 8.895 16.538 1.00 0.00 C ATOM 1349 O VAL A 89 -3.522 7.710 16.796 1.00 0.00 O ATOM 1350 CB VAL A 89 -2.414 9.299 14.159 1.00 0.00 C ATOM 1351 CG1 VAL A 89 -1.456 8.134 14.446 1.00 0.00 C ATOM 1352 CG2 VAL A 89 -2.937 9.200 12.712 1.00 0.00 C ATOM 0 H VAL A 89 -3.616 11.413 14.540 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.395 8.701 14.757 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.822 10.200 14.319 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.637 8.151 13.727 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.056 8.232 15.455 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.995 7.190 14.360 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.094 9.133 12.024 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -3.560 8.311 12.610 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.527 10.086 12.477 1.00 0.00 H new ATOM 1362 N GLU A 90 -3.026 9.778 17.493 1.00 0.00 N ATOM 1363 CA GLU A 90 -2.836 9.382 18.906 1.00 0.00 C ATOM 1364 C GLU A 90 -4.165 8.975 19.558 1.00 0.00 C ATOM 1365 O GLU A 90 -4.237 7.990 20.293 1.00 0.00 O ATOM 1366 CB GLU A 90 -2.203 10.523 19.722 1.00 0.00 C ATOM 1367 CG GLU A 90 -0.905 11.058 19.111 1.00 0.00 C ATOM 1368 CD GLU A 90 -0.202 12.033 20.065 1.00 0.00 C ATOM 1369 OE1 GLU A 90 -0.523 13.245 20.045 1.00 0.00 O ATOM 1370 OE2 GLU A 90 0.675 11.593 20.848 1.00 0.00 O ATOM 0 H GLU A 90 -2.893 10.774 17.319 1.00 0.00 H new ATOM 0 HA GLU A 90 -2.164 8.524 18.906 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -2.920 11.340 19.808 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.001 10.169 20.733 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -0.239 10.227 18.881 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.124 11.561 18.169 1.00 0.00 H new ATOM 1377 N VAL A 91 -5.248 9.693 19.249 1.00 0.00 N ATOM 1378 CA VAL A 91 -6.597 9.399 19.772 1.00 0.00 C ATOM 1379 C VAL A 91 -7.136 8.104 19.152 1.00 0.00 C ATOM 1380 O VAL A 91 -7.809 7.317 19.812 1.00 0.00 O ATOM 1381 CB VAL A 91 -7.558 10.588 19.527 1.00 0.00 C ATOM 1382 CG1 VAL A 91 -8.977 10.333 20.062 1.00 0.00 C ATOM 1383 CG2 VAL A 91 -7.007 11.880 20.161 1.00 0.00 C ATOM 0 H VAL A 91 -5.220 10.500 18.626 1.00 0.00 H new ATOM 0 HA VAL A 91 -6.528 9.255 20.850 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.623 10.700 18.445 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -9.603 11.202 19.860 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.400 9.458 19.568 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.935 10.158 21.137 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -7.700 12.701 19.975 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.893 11.738 21.236 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.038 12.117 19.721 1.00 0.00 H new ATOM 1393 N ILE A 92 -6.788 7.847 17.885 1.00 0.00 N ATOM 1394 CA ILE A 92 -7.225 6.658 17.137 1.00 0.00 C ATOM 1395 C ILE A 92 -6.439 5.400 17.562 1.00 0.00 C ATOM 1396 O ILE A 92 -7.046 4.352 17.776 1.00 0.00 O ATOM 1397 CB ILE A 92 -7.183 7.017 15.630 1.00 0.00 C ATOM 1398 CG1 ILE A 92 -8.295 8.079 15.392 1.00 0.00 C ATOM 1399 CG2 ILE A 92 -7.333 5.780 14.729 1.00 0.00 C ATOM 1400 CD1 ILE A 92 -8.323 8.710 14.002 1.00 0.00 C ATOM 0 H ILE A 92 -6.187 8.467 17.342 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.253 6.381 17.370 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.210 7.427 15.359 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -9.262 7.613 15.579 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -8.176 8.873 16.129 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -7.297 6.085 13.683 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -6.521 5.082 14.931 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.288 5.295 14.933 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -9.136 9.434 13.947 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.375 9.213 13.812 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -8.478 7.933 13.253 1.00 0.00 H new ATOM 1412 N ILE A 93 -5.124 5.512 17.805 1.00 0.00 N ATOM 1413 CA ILE A 93 -4.321 4.432 18.416 1.00 0.00 C ATOM 1414 C ILE A 93 -4.774 4.158 19.855 1.00 0.00 C ATOM 1415 O ILE A 93 -4.955 3.003 20.223 1.00 0.00 O ATOM 1416 CB ILE A 93 -2.806 4.761 18.315 1.00 0.00 C ATOM 1417 CG1 ILE A 93 -2.356 4.632 16.840 1.00 0.00 C ATOM 1418 CG2 ILE A 93 -1.959 3.840 19.216 1.00 0.00 C ATOM 1419 CD1 ILE A 93 -0.949 5.174 16.560 1.00 0.00 C ATOM 0 H ILE A 93 -4.585 6.350 17.586 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.486 3.509 17.860 1.00 0.00 H new ATOM 0 HB ILE A 93 -2.651 5.782 18.663 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.392 3.581 16.552 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -3.069 5.161 16.207 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -0.906 4.102 19.117 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -2.267 3.963 20.254 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -2.104 2.803 18.915 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.713 5.045 15.504 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -0.910 6.233 16.814 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.223 4.630 17.163 1.00 0.00 H new ATOM 1431 N SER A 94 -4.992 5.189 20.673 1.00 0.00 N ATOM 1432 CA SER A 94 -5.427 4.977 22.060 1.00 0.00 C ATOM 1433 C SER A 94 -6.856 4.412 22.147 1.00 0.00 C ATOM 1434 O SER A 94 -7.138 3.613 23.038 1.00 0.00 O ATOM 1435 CB SER A 94 -5.229 6.239 22.914 1.00 0.00 C ATOM 1436 OG SER A 94 -5.853 7.387 22.370 1.00 0.00 O ATOM 0 H SER A 94 -4.877 6.167 20.407 1.00 0.00 H new ATOM 0 HA SER A 94 -4.781 4.209 22.486 1.00 0.00 H new ATOM 0 HB2 SER A 94 -5.624 6.058 23.914 1.00 0.00 H new ATOM 0 HB3 SER A 94 -4.162 6.432 23.023 1.00 0.00 H new ATOM 0 HG SER A 94 -5.251 7.812 21.724 1.00 0.00 H new ATOM 1442 N SER A 95 -7.741 4.720 21.189 1.00 0.00 N ATOM 1443 CA SER A 95 -9.049 4.060 21.068 1.00 0.00 C ATOM 1444 C SER A 95 -8.890 2.545 20.861 1.00 0.00 C ATOM 1445 O SER A 95 -9.510 1.761 21.577 1.00 0.00 O ATOM 1446 CB SER A 95 -9.879 4.684 19.928 1.00 0.00 C ATOM 1447 OG SER A 95 -11.200 4.157 19.937 1.00 0.00 O ATOM 0 H SER A 95 -7.572 5.431 20.478 1.00 0.00 H new ATOM 0 HA SER A 95 -9.587 4.216 22.003 1.00 0.00 H new ATOM 0 HB2 SER A 95 -9.911 5.767 20.043 1.00 0.00 H new ATOM 0 HB3 SER A 95 -9.404 4.479 18.968 1.00 0.00 H new ATOM 0 HG SER A 95 -11.651 4.390 19.099 1.00 0.00 H new ATOM 1453 N ALA A 96 -8.003 2.104 19.958 1.00 0.00 N ATOM 1454 CA ALA A 96 -7.727 0.679 19.734 1.00 0.00 C ATOM 1455 C ALA A 96 -7.147 -0.010 20.982 1.00 0.00 C ATOM 1456 O ALA A 96 -7.630 -1.066 21.402 1.00 0.00 O ATOM 1457 CB ALA A 96 -6.807 0.581 18.512 1.00 0.00 C ATOM 0 H ALA A 96 -7.457 2.726 19.362 1.00 0.00 H new ATOM 0 HA ALA A 96 -8.654 0.140 19.539 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.578 -0.466 18.312 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.306 1.015 17.645 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -5.882 1.124 18.708 1.00 0.00 H new ATOM 1463 N LYS A 97 -6.170 0.623 21.638 1.00 0.00 N ATOM 1464 CA LYS A 97 -5.567 0.120 22.879 1.00 0.00 C ATOM 1465 C LYS A 97 -6.537 0.129 24.087 1.00 0.00 C ATOM 1466 O LYS A 97 -6.272 -0.562 25.071 1.00 0.00 O ATOM 1467 CB LYS A 97 -4.266 0.890 23.166 1.00 0.00 C ATOM 1468 CG LYS A 97 -3.185 0.660 22.094 1.00 0.00 C ATOM 1469 CD LYS A 97 -1.921 1.500 22.329 1.00 0.00 C ATOM 1470 CE LYS A 97 -1.194 1.111 23.629 1.00 0.00 C ATOM 1471 NZ LYS A 97 0.067 1.882 23.813 1.00 0.00 N ATOM 0 H LYS A 97 -5.771 1.507 21.321 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.330 -0.933 22.729 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.487 1.956 23.229 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.877 0.587 24.138 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -2.915 -0.396 22.078 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -3.597 0.899 21.113 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -1.243 1.376 21.485 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -2.191 2.555 22.368 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -1.853 1.285 24.479 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -0.968 0.045 23.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.526 1.590 24.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 0.707 1.696 23.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.150 2.898 23.854 1.00 0.00 H new ATOM 1485 N GLU A 98 -7.664 0.849 24.016 1.00 0.00 N ATOM 1486 CA GLU A 98 -8.770 0.776 24.976 1.00 0.00 C ATOM 1487 C GLU A 98 -9.819 -0.281 24.574 1.00 0.00 C ATOM 1488 O GLU A 98 -10.332 -0.999 25.432 1.00 0.00 O ATOM 1489 CB GLU A 98 -9.436 2.154 25.134 1.00 0.00 C ATOM 1490 CG GLU A 98 -8.607 3.133 25.979 1.00 0.00 C ATOM 1491 CD GLU A 98 -8.583 2.740 27.465 1.00 0.00 C ATOM 1492 OE1 GLU A 98 -9.596 2.968 28.171 1.00 0.00 O ATOM 1493 OE2 GLU A 98 -7.551 2.209 27.942 1.00 0.00 O ATOM 0 H GLU A 98 -7.835 1.518 23.266 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.348 0.470 25.933 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -9.601 2.586 24.147 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -10.416 2.026 25.594 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.587 3.166 25.597 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -9.018 4.137 25.877 1.00 0.00 H new ATOM 1500 N MET A 99 -10.113 -0.411 23.271 1.00 0.00 N ATOM 1501 CA MET A 99 -11.074 -1.376 22.705 1.00 0.00 C ATOM 1502 C MET A 99 -10.603 -2.834 22.766 1.00 0.00 C ATOM 1503 O MET A 99 -11.440 -3.735 22.789 1.00 0.00 O ATOM 1504 CB MET A 99 -11.405 -0.996 21.252 1.00 0.00 C ATOM 1505 CG MET A 99 -12.380 0.187 21.173 1.00 0.00 C ATOM 1506 SD MET A 99 -14.075 -0.123 21.751 1.00 0.00 S ATOM 1507 CE MET A 99 -14.608 -1.353 20.530 1.00 0.00 C ATOM 0 H MET A 99 -9.675 0.171 22.557 1.00 0.00 H new ATOM 0 HA MET A 99 -11.965 -1.317 23.330 1.00 0.00 H new ATOM 0 HB2 MET A 99 -10.485 -0.743 20.725 1.00 0.00 H new ATOM 0 HB3 MET A 99 -11.838 -1.857 20.742 1.00 0.00 H new ATOM 0 HG2 MET A 99 -11.966 1.010 21.755 1.00 0.00 H new ATOM 0 HG3 MET A 99 -12.428 0.521 20.137 1.00 0.00 H new ATOM 0 HE1 MET A 99 -15.692 -1.457 20.567 1.00 0.00 H new ATOM 0 HE2 MET A 99 -14.309 -1.030 19.533 1.00 0.00 H new ATOM 0 HE3 MET A 99 -14.144 -2.313 20.754 1.00 0.00 H new ATOM 1517 N VAL A 100 -9.295 -3.092 22.810 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.739 -4.435 23.050 1.00 0.00 C ATOM 1519 C VAL A 100 -9.397 -5.118 24.263 1.00 0.00 C ATOM 1520 O VAL A 100 -9.486 -4.553 25.354 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.198 -4.412 23.157 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -6.661 -3.801 24.457 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -6.610 -5.816 22.960 1.00 0.00 C ATOM 0 H VAL A 100 -8.583 -2.374 22.680 1.00 0.00 H new ATOM 0 HA VAL A 100 -8.981 -5.042 22.178 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.871 -3.754 22.352 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -5.571 -3.825 24.448 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.000 -2.769 24.541 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.029 -4.374 25.308 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.524 -5.770 23.040 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -7.003 -6.486 23.725 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -6.885 -6.191 21.974 1.00 0.00 H new ATOM 1533 N GLY A 101 -9.893 -6.337 24.041 1.00 0.00 N ATOM 1534 CA GLY A 101 -10.607 -7.152 25.032 1.00 0.00 C ATOM 1535 C GLY A 101 -12.130 -6.970 25.049 1.00 0.00 C ATOM 1536 O GLY A 101 -12.803 -7.697 25.780 1.00 0.00 O ATOM 0 H GLY A 101 -9.807 -6.801 23.137 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.384 -8.202 24.844 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.217 -6.916 26.022 1.00 0.00 H new ATOM 1540 N GLN A 102 -12.695 -6.042 24.263 1.00 0.00 N ATOM 1541 CA GLN A 102 -14.143 -5.882 24.120 1.00 0.00 C ATOM 1542 C GLN A 102 -14.732 -7.015 23.274 1.00 0.00 C ATOM 1543 O GLN A 102 -14.183 -7.396 22.239 1.00 0.00 O ATOM 1544 CB GLN A 102 -14.488 -4.526 23.474 1.00 0.00 C ATOM 1545 CG GLN A 102 -14.198 -3.314 24.375 1.00 0.00 C ATOM 1546 CD GLN A 102 -15.139 -3.231 25.579 1.00 0.00 C ATOM 1547 OE1 GLN A 102 -14.819 -3.652 26.684 1.00 0.00 O ATOM 1548 NE2 GLN A 102 -16.348 -2.727 25.412 1.00 0.00 N ATOM 0 H GLN A 102 -12.154 -5.379 23.707 1.00 0.00 H new ATOM 0 HA GLN A 102 -14.578 -5.917 25.119 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -13.922 -4.421 22.548 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -15.544 -4.521 23.205 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -13.168 -3.368 24.728 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -14.286 -2.401 23.787 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -16.631 -2.372 24.499 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -16.999 -2.693 26.196 1.00 0.00 H new ATOM 1557 N LYS A 103 -15.894 -7.512 23.704 1.00 0.00 N ATOM 1558 CA LYS A 103 -16.747 -8.446 22.958 1.00 0.00 C ATOM 1559 C LYS A 103 -17.900 -7.726 22.229 1.00 0.00 C ATOM 1560 O LYS A 103 -18.334 -6.643 22.633 1.00 0.00 O ATOM 1561 CB LYS A 103 -17.287 -9.530 23.913 1.00 0.00 C ATOM 1562 CG LYS A 103 -16.220 -10.566 24.303 1.00 0.00 C ATOM 1563 CD LYS A 103 -16.837 -11.608 25.251 1.00 0.00 C ATOM 1564 CE LYS A 103 -15.932 -12.822 25.512 1.00 0.00 C ATOM 1565 NZ LYS A 103 -14.681 -12.475 26.237 1.00 0.00 N ATOM 0 H LYS A 103 -16.283 -7.267 24.615 1.00 0.00 H new ATOM 0 HA LYS A 103 -16.138 -8.917 22.187 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -17.672 -9.054 24.815 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -18.126 -10.040 23.439 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -15.831 -11.056 23.411 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -15.378 -10.072 24.788 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -17.069 -11.128 26.202 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -17.781 -11.954 24.830 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -16.486 -13.562 26.090 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -15.676 -13.287 24.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -14.470 -13.214 26.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -13.895 -12.406 25.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -14.802 -11.563 26.721 1.00 0.00 H new ATOM 1579 N MET A 104 -18.414 -8.356 21.168 1.00 0.00 N ATOM 1580 CA MET A 104 -19.510 -7.868 20.307 1.00 0.00 C ATOM 1581 C MET A 104 -20.403 -9.024 19.824 1.00 0.00 C ATOM 1582 O MET A 104 -19.976 -10.177 19.811 1.00 0.00 O ATOM 1583 CB MET A 104 -18.919 -7.090 19.109 1.00 0.00 C ATOM 1584 CG MET A 104 -18.691 -5.609 19.438 1.00 0.00 C ATOM 1585 SD MET A 104 -17.783 -4.692 18.163 1.00 0.00 S ATOM 1586 CE MET A 104 -16.097 -5.093 18.684 1.00 0.00 C ATOM 0 H MET A 104 -18.064 -9.265 20.867 1.00 0.00 H new ATOM 0 HA MET A 104 -20.140 -7.198 20.893 1.00 0.00 H new ATOM 0 HB2 MET A 104 -17.974 -7.545 18.813 1.00 0.00 H new ATOM 0 HB3 MET A 104 -19.593 -7.172 18.256 1.00 0.00 H new ATOM 0 HG2 MET A 104 -19.658 -5.131 19.594 1.00 0.00 H new ATOM 0 HG3 MET A 104 -18.145 -5.538 20.379 1.00 0.00 H new ATOM 0 HE1 MET A 104 -15.394 -4.782 17.911 1.00 0.00 H new ATOM 0 HE2 MET A 104 -15.869 -4.571 19.613 1.00 0.00 H new ATOM 0 HE3 MET A 104 -16.011 -6.168 18.841 1.00 0.00 H new ATOM 1596 N LYS A 105 -21.638 -8.720 19.410 1.00 0.00 N ATOM 1597 CA LYS A 105 -22.647 -9.728 19.011 1.00 0.00 C ATOM 1598 C LYS A 105 -23.766 -9.170 18.104 1.00 0.00 C ATOM 1599 O LYS A 105 -24.289 -9.893 17.256 1.00 0.00 O ATOM 1600 CB LYS A 105 -23.256 -10.351 20.292 1.00 0.00 C ATOM 1601 CG LYS A 105 -22.925 -11.844 20.464 1.00 0.00 C ATOM 1602 CD LYS A 105 -23.739 -12.766 19.537 1.00 0.00 C ATOM 1603 CE LYS A 105 -23.355 -14.258 19.644 1.00 0.00 C ATOM 1604 NZ LYS A 105 -23.449 -14.798 21.031 1.00 0.00 N ATOM 0 H LYS A 105 -21.976 -7.760 19.339 1.00 0.00 H new ATOM 0 HA LYS A 105 -22.134 -10.480 18.412 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -22.892 -9.804 21.161 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -24.339 -10.227 20.268 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -21.863 -11.997 20.273 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -23.107 -12.131 21.500 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -24.798 -12.656 19.770 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -23.604 -12.439 18.506 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -24.005 -14.840 18.991 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -22.336 -14.390 19.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -23.481 -15.837 20.998 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -22.619 -14.495 21.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -24.313 -14.439 21.485 1.00 0.00 H new ATOM 1618 N TYR A 106 -24.148 -7.900 18.287 1.00 0.00 N ATOM 1619 CA TYR A 106 -25.243 -7.246 17.553 1.00 0.00 C ATOM 1620 C TYR A 106 -24.927 -6.981 16.063 1.00 0.00 C ATOM 1621 O TYR A 106 -23.771 -6.771 15.689 1.00 0.00 O ATOM 1622 CB TYR A 106 -25.603 -5.944 18.291 1.00 0.00 C ATOM 1623 CG TYR A 106 -26.771 -5.181 17.696 1.00 0.00 C ATOM 1624 CD1 TYR A 106 -28.079 -5.685 17.833 1.00 0.00 C ATOM 1625 CD2 TYR A 106 -26.550 -3.984 16.985 1.00 0.00 C ATOM 1626 CE1 TYR A 106 -29.167 -5.001 17.256 1.00 0.00 C ATOM 1627 CE2 TYR A 106 -27.633 -3.296 16.405 1.00 0.00 C ATOM 1628 CZ TYR A 106 -28.946 -3.801 16.538 1.00 0.00 C ATOM 1629 OH TYR A 106 -29.990 -3.131 15.978 1.00 0.00 O ATOM 0 H TYR A 106 -23.696 -7.284 18.963 1.00 0.00 H new ATOM 0 HA TYR A 106 -26.093 -7.928 17.536 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -25.833 -6.183 19.329 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -24.728 -5.294 18.300 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -28.249 -6.599 18.382 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -25.548 -3.594 16.885 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -30.168 -5.392 17.361 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -27.460 -2.381 15.858 1.00 0.00 H new ATOM 0 HH TYR A 106 -29.658 -2.328 15.524 1.00 0.00 H new ATOM 1639 N SER A 107 -25.972 -6.949 15.226 1.00 0.00 N ATOM 1640 CA SER A 107 -25.953 -6.567 13.798 1.00 0.00 C ATOM 1641 C SER A 107 -25.387 -7.665 12.865 1.00 0.00 C ATOM 1642 O SER A 107 -25.022 -8.764 13.296 1.00 0.00 O ATOM 1643 CB SER A 107 -25.245 -5.210 13.591 1.00 0.00 C ATOM 1644 OG SER A 107 -25.669 -4.604 12.379 1.00 0.00 O ATOM 0 H SER A 107 -26.909 -7.202 15.540 1.00 0.00 H new ATOM 0 HA SER A 107 -26.996 -6.452 13.503 1.00 0.00 H new ATOM 0 HB2 SER A 107 -25.462 -4.549 14.430 1.00 0.00 H new ATOM 0 HB3 SER A 107 -24.165 -5.356 13.572 1.00 0.00 H new ATOM 0 HG SER A 107 -25.212 -3.745 12.265 1.00 0.00 H new ATOM 1650 N ILE A 108 -25.325 -7.372 11.562 1.00 0.00 N ATOM 1651 CA ILE A 108 -24.681 -8.223 10.539 1.00 0.00 C ATOM 1652 C ILE A 108 -23.149 -8.087 10.609 1.00 0.00 C ATOM 1653 O ILE A 108 -22.649 -7.015 10.944 1.00 0.00 O ATOM 1654 CB ILE A 108 -25.242 -7.917 9.124 1.00 0.00 C ATOM 1655 CG1 ILE A 108 -25.029 -6.444 8.697 1.00 0.00 C ATOM 1656 CG2 ILE A 108 -26.727 -8.325 9.065 1.00 0.00 C ATOM 1657 CD1 ILE A 108 -25.481 -6.134 7.266 1.00 0.00 C ATOM 0 H ILE A 108 -25.728 -6.519 11.174 1.00 0.00 H new ATOM 0 HA ILE A 108 -24.921 -9.265 10.750 1.00 0.00 H new ATOM 0 HB ILE A 108 -24.680 -8.509 8.402 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -25.571 -5.796 9.386 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -23.971 -6.199 8.793 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -27.124 -8.111 8.073 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -26.820 -9.391 9.271 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -27.289 -7.761 9.810 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -25.297 -5.082 7.046 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -24.922 -6.754 6.565 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -26.546 -6.345 7.167 1.00 0.00 H new ATOM 1669 N VAL A 109 -22.391 -9.137 10.267 1.00 0.00 N ATOM 1670 CA VAL A 109 -20.925 -9.187 10.504 1.00 0.00 C ATOM 1671 C VAL A 109 -20.170 -8.071 9.764 1.00 0.00 C ATOM 1672 O VAL A 109 -19.229 -7.504 10.316 1.00 0.00 O ATOM 1673 CB VAL A 109 -20.319 -10.577 10.176 1.00 0.00 C ATOM 1674 CG1 VAL A 109 -18.808 -10.647 10.476 1.00 0.00 C ATOM 1675 CG2 VAL A 109 -21.008 -11.685 10.994 1.00 0.00 C ATOM 0 H VAL A 109 -22.764 -9.975 9.821 1.00 0.00 H new ATOM 0 HA VAL A 109 -20.794 -9.016 11.572 1.00 0.00 H new ATOM 0 HB VAL A 109 -20.481 -10.726 9.108 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -18.434 -11.640 10.229 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -18.283 -9.902 9.877 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -18.637 -10.448 11.534 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -20.565 -12.649 10.746 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -20.875 -11.488 12.058 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -22.072 -11.703 10.758 1.00 0.00 H new ATOM 1685 N SER A 110 -20.614 -7.696 8.561 1.00 0.00 N ATOM 1686 CA SER A 110 -20.037 -6.586 7.784 1.00 0.00 C ATOM 1687 C SER A 110 -20.217 -5.227 8.478 1.00 0.00 C ATOM 1688 O SER A 110 -19.245 -4.486 8.645 1.00 0.00 O ATOM 1689 CB SER A 110 -20.655 -6.574 6.378 1.00 0.00 C ATOM 1690 OG SER A 110 -22.075 -6.598 6.430 1.00 0.00 O ATOM 0 H SER A 110 -21.393 -8.157 8.091 1.00 0.00 H new ATOM 0 HA SER A 110 -18.962 -6.749 7.709 1.00 0.00 H new ATOM 0 HB2 SER A 110 -20.325 -5.684 5.843 1.00 0.00 H new ATOM 0 HB3 SER A 110 -20.296 -7.436 5.815 1.00 0.00 H new ATOM 0 HG SER A 110 -22.436 -6.588 5.519 1.00 0.00 H new ATOM 1696 N ARG A 111 -21.424 -4.912 8.970 1.00 0.00 N ATOM 1697 CA ARG A 111 -21.626 -3.700 9.772 1.00 0.00 C ATOM 1698 C ARG A 111 -20.915 -3.803 11.119 1.00 0.00 C ATOM 1699 O ARG A 111 -20.339 -2.822 11.563 1.00 0.00 O ATOM 1700 CB ARG A 111 -23.113 -3.355 9.959 1.00 0.00 C ATOM 1701 CG ARG A 111 -23.314 -1.948 10.576 1.00 0.00 C ATOM 1702 CD ARG A 111 -22.892 -0.788 9.662 1.00 0.00 C ATOM 1703 NE ARG A 111 -23.704 -0.708 8.432 1.00 0.00 N ATOM 1704 CZ ARG A 111 -23.403 -0.002 7.346 1.00 0.00 C ATOM 1705 NH1 ARG A 111 -22.303 0.719 7.265 1.00 0.00 N ATOM 1706 NH2 ARG A 111 -24.220 -0.010 6.314 1.00 0.00 N ATOM 0 H ARG A 111 -22.264 -5.473 8.828 1.00 0.00 H new ATOM 0 HA ARG A 111 -21.180 -2.879 9.211 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -23.619 -3.403 8.995 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -23.580 -4.102 10.602 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -24.365 -1.826 10.836 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -22.747 -1.888 11.505 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -22.977 0.150 10.210 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -21.842 -0.906 9.393 1.00 0.00 H new ATOM 0 HE ARG A 111 -24.573 -1.242 8.413 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -21.653 0.747 8.050 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -22.102 1.249 6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -25.081 -0.556 6.349 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -23.993 0.530 5.479 1.00 0.00 H new ATOM 1720 N ASN A 112 -20.884 -4.972 11.750 1.00 0.00 N ATOM 1721 CA ASN A 112 -20.213 -5.174 13.036 1.00 0.00 C ATOM 1722 C ASN A 112 -18.709 -4.847 12.955 1.00 0.00 C ATOM 1723 O ASN A 112 -18.204 -4.097 13.786 1.00 0.00 O ATOM 1724 CB ASN A 112 -20.479 -6.605 13.525 1.00 0.00 C ATOM 1725 CG ASN A 112 -19.905 -6.842 14.916 1.00 0.00 C ATOM 1726 OD1 ASN A 112 -20.270 -6.182 15.876 1.00 0.00 O ATOM 1727 ND2 ASN A 112 -18.971 -7.769 15.056 1.00 0.00 N ATOM 0 H ASN A 112 -21.326 -5.815 11.383 1.00 0.00 H new ATOM 0 HA ASN A 112 -20.625 -4.479 13.768 1.00 0.00 H new ATOM 0 HB2 ASN A 112 -21.553 -6.791 13.538 1.00 0.00 H new ATOM 0 HB3 ASN A 112 -20.041 -7.316 12.825 1.00 0.00 H new ATOM 0 HD21 ASN A 112 -18.551 -7.936 15.970 1.00 0.00 H new ATOM 0 HD22 ASN A 112 -18.671 -8.317 14.249 1.00 0.00 H new ATOM 1734 N CYS A 113 -17.999 -5.332 11.926 1.00 0.00 N ATOM 1735 CA CYS A 113 -16.575 -5.030 11.731 1.00 0.00 C ATOM 1736 C CYS A 113 -16.330 -3.579 11.242 1.00 0.00 C ATOM 1737 O CYS A 113 -15.410 -2.926 11.739 1.00 0.00 O ATOM 1738 CB CYS A 113 -15.942 -6.136 10.865 1.00 0.00 C ATOM 1739 SG CYS A 113 -16.410 -5.997 9.115 1.00 0.00 S ATOM 0 H CYS A 113 -18.394 -5.941 11.210 1.00 0.00 H new ATOM 0 HA CYS A 113 -16.059 -5.046 12.691 1.00 0.00 H new ATOM 0 HB2 CYS A 113 -14.857 -6.087 10.953 1.00 0.00 H new ATOM 0 HB3 CYS A 113 -16.249 -7.111 11.244 1.00 0.00 H new ATOM 0 HG CYS A 113 -17.552 -5.384 9.019 1.00 0.00 H new ATOM 1745 N GLU A 114 -17.191 -3.031 10.373 1.00 0.00 N ATOM 1746 CA GLU A 114 -17.160 -1.607 9.997 1.00 0.00 C ATOM 1747 C GLU A 114 -17.369 -0.700 11.221 1.00 0.00 C ATOM 1748 O GLU A 114 -16.513 0.122 11.528 1.00 0.00 O ATOM 1749 CB GLU A 114 -18.183 -1.315 8.884 1.00 0.00 C ATOM 1750 CG GLU A 114 -18.135 0.131 8.358 1.00 0.00 C ATOM 1751 CD GLU A 114 -18.990 1.116 9.175 1.00 0.00 C ATOM 1752 OE1 GLU A 114 -20.237 0.995 9.131 1.00 0.00 O ATOM 1753 OE2 GLU A 114 -18.428 2.032 9.822 1.00 0.00 O ATOM 0 H GLU A 114 -17.929 -3.561 9.910 1.00 0.00 H new ATOM 0 HA GLU A 114 -16.170 -1.381 9.601 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -18.008 -1.999 8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -19.185 -1.521 9.261 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -17.100 0.474 8.359 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -18.474 0.143 7.322 1.00 0.00 H new ATOM 1760 N HIS A 115 -18.452 -0.896 11.974 1.00 0.00 N ATOM 1761 CA HIS A 115 -18.774 -0.134 13.181 1.00 0.00 C ATOM 1762 C HIS A 115 -17.624 -0.203 14.209 1.00 0.00 C ATOM 1763 O HIS A 115 -17.280 0.801 14.836 1.00 0.00 O ATOM 1764 CB HIS A 115 -20.091 -0.663 13.777 1.00 0.00 C ATOM 1765 CG HIS A 115 -20.588 0.117 14.975 1.00 0.00 C ATOM 1766 ND1 HIS A 115 -21.190 -0.411 16.097 1.00 0.00 N ATOM 1767 CD2 HIS A 115 -20.576 1.480 15.133 1.00 0.00 C ATOM 1768 CE1 HIS A 115 -21.525 0.608 16.909 1.00 0.00 C ATOM 1769 NE2 HIS A 115 -21.166 1.786 16.366 1.00 0.00 N ATOM 0 H HIS A 115 -19.148 -1.609 11.755 1.00 0.00 H new ATOM 0 HA HIS A 115 -18.900 0.916 12.918 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -20.859 -0.647 13.003 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -19.953 -1.704 14.068 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -20.179 2.195 14.427 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -22.015 0.496 17.865 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -21.297 2.713 16.770 1.00 0.00 H new ATOM 1777 N PHE A 116 -16.991 -1.377 14.354 1.00 0.00 N ATOM 1778 CA PHE A 116 -15.759 -1.556 15.117 1.00 0.00 C ATOM 1779 C PHE A 116 -14.646 -0.629 14.605 1.00 0.00 C ATOM 1780 O PHE A 116 -14.172 0.200 15.382 1.00 0.00 O ATOM 1781 CB PHE A 116 -15.354 -3.041 15.103 1.00 0.00 C ATOM 1782 CG PHE A 116 -13.872 -3.295 15.316 1.00 0.00 C ATOM 1783 CD1 PHE A 116 -13.296 -3.085 16.582 1.00 0.00 C ATOM 1784 CD2 PHE A 116 -13.056 -3.676 14.232 1.00 0.00 C ATOM 1785 CE1 PHE A 116 -11.917 -3.273 16.769 1.00 0.00 C ATOM 1786 CE2 PHE A 116 -11.673 -3.858 14.418 1.00 0.00 C ATOM 1787 CZ PHE A 116 -11.108 -3.672 15.692 1.00 0.00 C ATOM 0 H PHE A 116 -17.332 -2.241 13.934 1.00 0.00 H new ATOM 0 HA PHE A 116 -15.932 -1.270 16.154 1.00 0.00 H new ATOM 0 HB2 PHE A 116 -15.914 -3.564 15.878 1.00 0.00 H new ATOM 0 HB3 PHE A 116 -15.650 -3.476 14.148 1.00 0.00 H new ATOM 0 HD1 PHE A 116 -13.916 -2.779 17.412 1.00 0.00 H new ATOM 0 HD2 PHE A 116 -13.493 -3.829 13.256 1.00 0.00 H new ATOM 0 HE1 PHE A 116 -11.478 -3.111 17.742 1.00 0.00 H new ATOM 0 HE2 PHE A 116 -11.047 -4.140 13.584 1.00 0.00 H new ATOM 0 HZ PHE A 116 -10.051 -3.836 15.843 1.00 0.00 H new ATOM 1797 N VAL A 117 -14.242 -0.702 13.328 1.00 0.00 N ATOM 1798 CA VAL A 117 -13.141 0.164 12.854 1.00 0.00 C ATOM 1799 C VAL A 117 -13.487 1.649 12.885 1.00 0.00 C ATOM 1800 O VAL A 117 -12.597 2.439 13.192 1.00 0.00 O ATOM 1801 CB VAL A 117 -12.538 -0.187 11.481 1.00 0.00 C ATOM 1802 CG1 VAL A 117 -11.715 -1.470 11.582 1.00 0.00 C ATOM 1803 CG2 VAL A 117 -13.537 -0.263 10.322 1.00 0.00 C ATOM 0 H VAL A 117 -14.640 -1.325 12.625 1.00 0.00 H new ATOM 0 HA VAL A 117 -12.366 -0.050 13.590 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.895 0.655 11.225 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.293 -1.709 10.606 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -10.908 -1.329 12.301 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.356 -2.288 11.911 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -13.009 -0.516 9.403 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -14.283 -1.029 10.534 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -14.030 0.702 10.203 1.00 0.00 H new ATOM 1813 N THR A 118 -14.744 2.052 12.653 1.00 0.00 N ATOM 1814 CA THR A 118 -15.156 3.456 12.790 1.00 0.00 C ATOM 1815 C THR A 118 -15.127 3.908 14.244 1.00 0.00 C ATOM 1816 O THR A 118 -14.743 5.043 14.475 1.00 0.00 O ATOM 1817 CB THR A 118 -16.465 3.751 12.058 1.00 0.00 C ATOM 1818 OG1 THR A 118 -16.299 3.282 10.733 1.00 0.00 O ATOM 1819 CG2 THR A 118 -16.768 5.248 11.967 1.00 0.00 C ATOM 0 H THR A 118 -15.495 1.423 12.369 1.00 0.00 H new ATOM 0 HA THR A 118 -14.416 4.074 12.282 1.00 0.00 H new ATOM 0 HB THR A 118 -17.281 3.274 12.601 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.174 3.058 10.353 1.00 0.00 H new ATOM 0 HG21 THR A 118 -17.709 5.397 11.437 1.00 0.00 H new ATOM 0 HG22 THR A 118 -16.847 5.665 12.971 1.00 0.00 H new ATOM 0 HG23 THR A 118 -15.965 5.750 11.428 1.00 0.00 H new ATOM 1827 N GLN A 119 -15.392 3.045 15.228 1.00 0.00 N ATOM 1828 CA GLN A 119 -15.155 3.369 16.644 1.00 0.00 C ATOM 1829 C GLN A 119 -13.653 3.533 16.965 1.00 0.00 C ATOM 1830 O GLN A 119 -13.307 4.283 17.880 1.00 0.00 O ATOM 1831 CB GLN A 119 -15.801 2.314 17.553 1.00 0.00 C ATOM 1832 CG GLN A 119 -17.320 2.520 17.674 1.00 0.00 C ATOM 1833 CD GLN A 119 -17.981 1.294 18.298 1.00 0.00 C ATOM 1834 OE1 GLN A 119 -18.352 1.265 19.466 1.00 0.00 O ATOM 1835 NE2 GLN A 119 -18.109 0.227 17.538 1.00 0.00 N ATOM 0 H GLN A 119 -15.773 2.111 15.073 1.00 0.00 H new ATOM 0 HA GLN A 119 -15.625 4.333 16.839 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -15.599 1.319 17.156 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -15.348 2.360 18.543 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -17.526 3.400 18.283 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -17.747 2.708 16.689 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -17.800 0.253 16.566 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -18.517 -0.626 17.921 1.00 0.00 H new ATOM 1844 N LEU A 120 -12.746 2.904 16.196 1.00 0.00 N ATOM 1845 CA LEU A 120 -11.306 3.182 16.297 1.00 0.00 C ATOM 1846 C LEU A 120 -10.967 4.556 15.695 1.00 0.00 C ATOM 1847 O LEU A 120 -10.436 5.408 16.404 1.00 0.00 O ATOM 1848 CB LEU A 120 -10.456 2.048 15.685 1.00 0.00 C ATOM 1849 CG LEU A 120 -10.752 0.626 16.211 1.00 0.00 C ATOM 1850 CD1 LEU A 120 -9.651 -0.324 15.729 1.00 0.00 C ATOM 1851 CD2 LEU A 120 -10.862 0.574 17.739 1.00 0.00 C ATOM 0 H LEU A 120 -12.987 2.200 15.498 1.00 0.00 H new ATOM 0 HA LEU A 120 -11.048 3.219 17.355 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -10.602 2.053 14.605 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -9.404 2.270 15.866 1.00 0.00 H new ATOM 0 HG LEU A 120 -11.720 0.318 15.816 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -9.852 -1.330 16.096 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -9.629 -0.333 14.639 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -8.687 0.014 16.108 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -11.071 -0.448 18.054 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -9.924 0.906 18.183 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -11.670 1.227 18.068 1.00 0.00 H new ATOM 1863 N ARG A 121 -11.314 4.795 14.419 1.00 0.00 N ATOM 1864 CA ARG A 121 -11.070 6.070 13.708 1.00 0.00 C ATOM 1865 C ARG A 121 -12.022 7.223 14.086 1.00 0.00 C ATOM 1866 O ARG A 121 -11.940 8.286 13.478 1.00 0.00 O ATOM 1867 CB ARG A 121 -10.992 5.871 12.177 1.00 0.00 C ATOM 1868 CG ARG A 121 -12.322 5.439 11.549 1.00 0.00 C ATOM 1869 CD ARG A 121 -12.360 5.537 10.028 1.00 0.00 C ATOM 1870 NE ARG A 121 -13.420 4.655 9.511 1.00 0.00 N ATOM 1871 CZ ARG A 121 -13.293 3.767 8.536 1.00 0.00 C ATOM 1872 NH1 ARG A 121 -12.295 3.802 7.676 1.00 0.00 N ATOM 1873 NH2 ARG A 121 -14.208 2.828 8.426 1.00 0.00 N ATOM 0 H ARG A 121 -11.780 4.098 13.839 1.00 0.00 H new ATOM 0 HA ARG A 121 -10.092 6.394 14.062 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -10.666 6.802 11.714 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -10.233 5.121 11.954 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -12.530 4.409 11.840 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -13.122 6.055 11.961 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -12.546 6.567 9.723 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -11.395 5.250 9.609 1.00 0.00 H new ATOM 0 HE ARG A 121 -14.340 4.735 9.945 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -11.585 4.531 7.748 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -12.232 3.100 6.939 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -14.989 2.797 9.082 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -14.137 2.131 7.685 1.00 0.00 H new ATOM 1887 N TYR A 122 -12.895 7.040 15.078 1.00 0.00 N ATOM 1888 CA TYR A 122 -14.003 7.934 15.454 1.00 0.00 C ATOM 1889 C TYR A 122 -13.545 9.367 15.801 1.00 0.00 C ATOM 1890 O TYR A 122 -14.326 10.313 15.721 1.00 0.00 O ATOM 1891 CB TYR A 122 -14.691 7.335 16.697 1.00 0.00 C ATOM 1892 CG TYR A 122 -16.158 7.690 16.851 1.00 0.00 C ATOM 1893 CD1 TYR A 122 -17.151 6.868 16.273 1.00 0.00 C ATOM 1894 CD2 TYR A 122 -16.541 8.821 17.600 1.00 0.00 C ATOM 1895 CE1 TYR A 122 -18.516 7.181 16.430 1.00 0.00 C ATOM 1896 CE2 TYR A 122 -17.903 9.143 17.758 1.00 0.00 C ATOM 1897 CZ TYR A 122 -18.896 8.324 17.172 1.00 0.00 C ATOM 1898 OH TYR A 122 -20.212 8.634 17.331 1.00 0.00 O ATOM 0 H TYR A 122 -12.849 6.217 15.679 1.00 0.00 H new ATOM 0 HA TYR A 122 -14.670 8.009 14.595 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -14.597 6.250 16.658 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -14.156 7.669 17.586 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -16.862 5.994 15.707 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -15.786 9.444 18.055 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -19.271 6.550 15.985 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -18.189 10.015 18.327 1.00 0.00 H new ATOM 0 HH TYR A 122 -20.293 9.449 17.868 1.00 0.00 H new ATOM 1908 N GLY A 123 -12.263 9.491 16.190 1.00 0.00 N ATOM 1909 CA GLY A 123 -11.585 10.659 16.780 1.00 0.00 C ATOM 1910 C GLY A 123 -11.928 12.036 16.210 1.00 0.00 C ATOM 1911 O GLY A 123 -11.990 13.007 16.967 1.00 0.00 O ATOM 0 H GLY A 123 -11.618 8.707 16.091 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -11.805 10.672 17.847 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -10.510 10.511 16.678 1.00 0.00 H new ATOM 1915 N LYS A 124 -12.156 12.134 14.898 1.00 0.00 N ATOM 1916 CA LYS A 124 -12.521 13.386 14.212 1.00 0.00 C ATOM 1917 C LYS A 124 -13.625 13.184 13.141 1.00 0.00 C ATOM 1918 O LYS A 124 -13.842 14.040 12.278 1.00 0.00 O ATOM 1919 CB LYS A 124 -11.191 13.989 13.701 1.00 0.00 C ATOM 1920 CG LYS A 124 -11.225 15.416 13.120 1.00 0.00 C ATOM 1921 CD LYS A 124 -11.889 16.479 14.010 1.00 0.00 C ATOM 1922 CE LYS A 124 -11.206 16.606 15.383 1.00 0.00 C ATOM 1923 NZ LYS A 124 -11.803 17.705 16.191 1.00 0.00 N ATOM 0 H LYS A 124 -12.092 11.335 14.268 1.00 0.00 H new ATOM 0 HA LYS A 124 -12.999 14.099 14.883 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -10.480 13.981 14.527 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -10.795 13.324 12.933 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -10.202 15.729 12.912 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -11.750 15.388 12.165 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -11.860 17.443 13.502 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -12.939 16.225 14.152 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -11.297 15.664 15.924 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -10.141 16.792 15.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -11.319 17.763 17.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -11.693 18.607 15.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -12.814 17.514 16.343 1.00 0.00 H new ATOM 1937 N SER A 125 -14.332 12.044 13.202 1.00 0.00 N ATOM 1938 CA SER A 125 -15.402 11.631 12.273 1.00 0.00 C ATOM 1939 C SER A 125 -16.764 12.235 12.638 1.00 0.00 C ATOM 1940 O SER A 125 -17.251 11.997 13.768 1.00 0.00 O ATOM 1941 CB SER A 125 -15.485 10.110 12.228 1.00 0.00 C ATOM 1942 OG SER A 125 -14.256 9.606 11.742 1.00 0.00 O ATOM 1943 OXT SER A 125 -17.339 12.971 11.800 1.00 0.00 O ATOM 0 H SER A 125 -14.167 11.352 13.933 1.00 0.00 H new ATOM 0 HA SER A 125 -15.146 12.014 11.285 1.00 0.00 H new ATOM 0 HB2 SER A 125 -15.690 9.713 13.222 1.00 0.00 H new ATOM 0 HB3 SER A 125 -16.305 9.795 11.583 1.00 0.00 H new ATOM 0 HG SER A 125 -13.538 10.240 11.948 1.00 0.00 H new TER 1949 SER A 125