USER MOD reduce.3.24.130724 H: found=0, std=0, add=762, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 759 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 40 THR OG1 : rot 67:sc= 1.4 USER MOD Set 1.2: A 67 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 52 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 58 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 29 SER OG : rot 150:sc= 0.026 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -129:sc= -0.406 (180deg=-1.08) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 57:sc= 0.181 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 144:sc= 0.755 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.115 F(o=-0.76,f=-0.11) USER MOD Single : A 41 CYS SG : rot 180:sc= -1.09 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 158:sc= -4.35! (180deg=-5.54!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 160:sc= -0.115 (180deg=-0.526) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 CYS SG : rot -170:sc= -0.798 USER MOD Single : A 77 LYS NZ :NH3+ 171:sc= 1.26 (180deg=1.17) USER MOD Single : A 84 LYS NZ :NH3+ -114:sc= 0 (180deg=-0.0442) USER MOD Single : A 85 HIS : no HD1:sc= -0.495 K(o=-0.5,f=-3.1) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.457 15.697 -1.520 1.00 0.00 N ATOM 2 CA MET A 1 -5.203 15.013 -0.452 1.00 0.00 C ATOM 3 C MET A 1 -5.778 13.688 -0.965 1.00 0.00 C ATOM 4 O MET A 1 -6.922 13.362 -0.663 1.00 0.00 O ATOM 5 CB MET A 1 -6.318 15.931 0.085 1.00 0.00 C ATOM 6 CG MET A 1 -5.853 17.312 0.570 1.00 0.00 C ATOM 7 SD MET A 1 -7.096 18.613 0.349 1.00 0.00 S ATOM 8 CE MET A 1 -8.358 18.059 1.523 1.00 0.00 C ATOM 0 H1 MET A 1 -3.514 15.961 -1.170 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.358 15.061 -2.337 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.971 16.553 -1.809 1.00 0.00 H new ATOM 0 HA MET A 1 -4.521 14.787 0.368 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.061 16.071 -0.700 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.818 15.424 0.910 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.590 17.248 1.626 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.947 17.591 0.032 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.197 18.754 1.510 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.706 17.065 1.241 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.932 18.023 2.526 1.00 0.00 H new ATOM 18 N GLU A 2 -5.020 12.912 -1.752 1.00 0.00 N ATOM 19 CA GLU A 2 -5.500 11.689 -2.394 1.00 0.00 C ATOM 20 C GLU A 2 -4.340 10.682 -2.476 1.00 0.00 C ATOM 21 O GLU A 2 -3.189 11.049 -2.220 1.00 0.00 O ATOM 22 CB GLU A 2 -6.039 12.021 -3.796 1.00 0.00 C ATOM 23 CG GLU A 2 -7.369 12.794 -3.781 1.00 0.00 C ATOM 24 CD GLU A 2 -8.134 12.634 -5.096 1.00 0.00 C ATOM 25 OE1 GLU A 2 -8.669 11.527 -5.340 1.00 0.00 O ATOM 26 OE2 GLU A 2 -8.243 13.600 -5.882 1.00 0.00 O ATOM 0 H GLU A 2 -4.044 13.122 -1.961 1.00 0.00 H new ATOM 0 HA GLU A 2 -6.310 11.249 -1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -5.294 12.608 -4.332 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -6.174 11.094 -4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -7.986 12.439 -2.956 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -7.173 13.851 -3.601 1.00 0.00 H new ATOM 33 N VAL A 3 -4.622 9.420 -2.815 1.00 0.00 N ATOM 34 CA VAL A 3 -3.621 8.361 -2.980 1.00 0.00 C ATOM 35 C VAL A 3 -2.827 8.561 -4.277 1.00 0.00 C ATOM 36 O VAL A 3 -3.404 8.598 -5.373 1.00 0.00 O ATOM 37 CB VAL A 3 -4.302 6.966 -2.894 1.00 0.00 C ATOM 38 CG1 VAL A 3 -5.602 6.852 -3.689 1.00 0.00 C ATOM 39 CG2 VAL A 3 -3.346 5.824 -3.259 1.00 0.00 C ATOM 0 H VAL A 3 -5.575 9.099 -2.986 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.897 8.415 -2.167 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.574 6.865 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.011 5.848 -3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -6.321 7.582 -3.317 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.402 7.045 -4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.871 4.872 -3.183 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.989 5.961 -4.280 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.498 5.826 -2.574 1.00 0.00 H new ATOM 49 N LYS A 4 -1.496 8.607 -4.170 1.00 0.00 N ATOM 50 CA LYS A 4 -0.596 8.378 -5.298 1.00 0.00 C ATOM 51 C LYS A 4 -0.130 6.934 -5.220 1.00 0.00 C ATOM 52 O LYS A 4 0.207 6.480 -4.136 1.00 0.00 O ATOM 53 CB LYS A 4 0.637 9.292 -5.204 1.00 0.00 C ATOM 54 CG LYS A 4 0.878 10.163 -6.447 1.00 0.00 C ATOM 55 CD LYS A 4 0.921 9.438 -7.803 1.00 0.00 C ATOM 56 CE LYS A 4 1.296 10.520 -8.816 1.00 0.00 C ATOM 57 NZ LYS A 4 1.117 10.141 -10.231 1.00 0.00 N ATOM 0 H LYS A 4 -1.013 8.805 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.116 8.589 -6.232 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.527 9.942 -4.336 1.00 0.00 H new ATOM 0 HB3 LYS A 4 1.519 8.675 -5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 4 0.093 10.918 -6.490 1.00 0.00 H new ATOM 0 HG3 LYS A 4 1.822 10.691 -6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 4 1.654 8.632 -7.797 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -0.043 8.990 -8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.696 11.408 -8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.338 10.797 -8.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.396 10.936 -10.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 1.710 9.314 -10.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 0.119 9.906 -10.404 1.00 0.00 H new ATOM 71 N ILE A 5 -0.032 6.254 -6.355 1.00 0.00 N ATOM 72 CA ILE A 5 0.615 4.957 -6.505 1.00 0.00 C ATOM 73 C ILE A 5 1.626 5.152 -7.632 1.00 0.00 C ATOM 74 O ILE A 5 1.297 5.870 -8.588 1.00 0.00 O ATOM 75 CB ILE A 5 -0.452 3.891 -6.825 1.00 0.00 C ATOM 76 CG1 ILE A 5 -1.302 3.484 -5.603 1.00 0.00 C ATOM 77 CG2 ILE A 5 0.172 2.626 -7.395 1.00 0.00 C ATOM 78 CD1 ILE A 5 -2.721 3.088 -6.010 1.00 0.00 C ATOM 0 H ILE A 5 -0.417 6.605 -7.232 1.00 0.00 H new ATOM 0 HA ILE A 5 1.121 4.608 -5.605 1.00 0.00 H new ATOM 0 HB ILE A 5 -1.101 4.366 -7.560 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -0.824 2.650 -5.089 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.344 4.313 -4.896 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -0.611 1.898 -7.608 1.00 0.00 H new ATOM 0 HG22 ILE A 5 0.705 2.866 -8.315 1.00 0.00 H new ATOM 0 HG23 ILE A 5 0.870 2.206 -6.671 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.289 2.808 -5.123 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.207 3.931 -6.501 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.680 2.242 -6.697 1.00 0.00 H new ATOM 90 N GLU A 6 2.809 4.533 -7.539 1.00 0.00 N ATOM 91 CA GLU A 6 3.823 4.674 -8.597 1.00 0.00 C ATOM 92 C GLU A 6 4.832 3.533 -8.700 1.00 0.00 C ATOM 93 O GLU A 6 4.792 2.595 -7.908 1.00 0.00 O ATOM 94 CB GLU A 6 4.574 6.014 -8.469 1.00 0.00 C ATOM 95 CG GLU A 6 5.404 6.141 -7.179 1.00 0.00 C ATOM 96 CD GLU A 6 6.620 7.049 -7.383 1.00 0.00 C ATOM 97 OE1 GLU A 6 7.605 6.582 -7.992 1.00 0.00 O ATOM 98 OE2 GLU A 6 6.554 8.231 -6.957 1.00 0.00 O ATOM 0 H GLU A 6 3.087 3.939 -6.758 1.00 0.00 H new ATOM 0 HA GLU A 6 3.245 4.641 -9.521 1.00 0.00 H new ATOM 0 HB2 GLU A 6 5.234 6.133 -9.328 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.852 6.830 -8.507 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.779 6.541 -6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 6 5.735 5.153 -6.859 1.00 0.00 H new ATOM 105 N LYS A 7 5.737 3.612 -9.693 1.00 0.00 N ATOM 106 CA LYS A 7 6.743 2.592 -9.992 1.00 0.00 C ATOM 107 C LYS A 7 8.158 3.176 -9.890 1.00 0.00 C ATOM 108 O LYS A 7 8.714 3.633 -10.892 1.00 0.00 O ATOM 109 CB LYS A 7 6.487 1.861 -11.318 1.00 0.00 C ATOM 110 CG LYS A 7 5.026 1.620 -11.686 1.00 0.00 C ATOM 111 CD LYS A 7 4.346 0.737 -10.650 1.00 0.00 C ATOM 112 CE LYS A 7 2.901 1.154 -10.468 1.00 0.00 C ATOM 113 NZ LYS A 7 2.023 0.665 -11.546 1.00 0.00 N ATOM 0 H LYS A 7 5.785 4.412 -10.324 1.00 0.00 H new ATOM 0 HA LYS A 7 6.655 1.818 -9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.952 2.434 -12.120 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.994 0.897 -11.281 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.502 2.573 -11.758 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.966 1.149 -12.667 1.00 0.00 H new ATOM 0 HD2 LYS A 7 4.394 -0.306 -10.964 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.874 0.808 -9.699 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.537 0.778 -9.512 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.845 2.242 -10.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.048 0.980 -11.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.349 1.044 -12.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 2.052 -0.374 -11.572 1.00 0.00 H new ATOM 127 N PRO A 8 8.721 3.256 -8.680 1.00 0.00 N ATOM 128 CA PRO A 8 10.043 3.828 -8.439 1.00 0.00 C ATOM 129 C PRO A 8 11.159 2.848 -8.816 1.00 0.00 C ATOM 130 O PRO A 8 10.908 1.661 -9.059 1.00 0.00 O ATOM 131 CB PRO A 8 10.058 4.137 -6.947 1.00 0.00 C ATOM 132 CG PRO A 8 9.119 3.087 -6.363 1.00 0.00 C ATOM 133 CD PRO A 8 8.094 2.824 -7.446 1.00 0.00 C ATOM 0 HA PRO A 8 10.222 4.715 -9.047 1.00 0.00 H new ATOM 0 HB2 PRO A 8 11.062 4.056 -6.529 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.708 5.149 -6.742 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.659 2.177 -6.103 1.00 0.00 H new ATOM 0 HG3 PRO A 8 8.644 3.447 -5.451 1.00 0.00 H new ATOM 0 HD2 PRO A 8 7.829 1.768 -7.488 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.173 3.376 -7.258 1.00 0.00 H new ATOM 141 N THR A 9 12.404 3.326 -8.843 1.00 0.00 N ATOM 142 CA THR A 9 13.557 2.488 -9.148 1.00 0.00 C ATOM 143 C THR A 9 13.920 1.636 -7.931 1.00 0.00 C ATOM 144 O THR A 9 13.739 2.068 -6.788 1.00 0.00 O ATOM 145 CB THR A 9 14.749 3.341 -9.618 1.00 0.00 C ATOM 146 OG1 THR A 9 15.297 4.149 -8.596 1.00 0.00 O ATOM 147 CG2 THR A 9 14.324 4.258 -10.760 1.00 0.00 C ATOM 0 H THR A 9 12.637 4.301 -8.655 1.00 0.00 H new ATOM 0 HA THR A 9 13.298 1.818 -9.968 1.00 0.00 H new ATOM 0 HB THR A 9 15.512 2.631 -9.939 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.050 4.664 -8.955 1.00 0.00 H new ATOM 0 HG21 THR A 9 15.176 4.856 -11.083 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.965 3.657 -11.595 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.526 4.918 -10.419 1.00 0.00 H new ATOM 155 N PRO A 10 14.486 0.441 -8.145 1.00 0.00 N ATOM 156 CA PRO A 10 14.868 -0.429 -7.047 1.00 0.00 C ATOM 157 C PRO A 10 15.974 0.197 -6.199 1.00 0.00 C ATOM 158 O PRO A 10 15.976 0.009 -4.983 1.00 0.00 O ATOM 159 CB PRO A 10 15.286 -1.744 -7.701 1.00 0.00 C ATOM 160 CG PRO A 10 15.692 -1.339 -9.120 1.00 0.00 C ATOM 161 CD PRO A 10 14.757 -0.182 -9.429 1.00 0.00 C ATOM 0 HA PRO A 10 14.050 -0.594 -6.346 1.00 0.00 H new ATOM 0 HB2 PRO A 10 16.114 -2.210 -7.167 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.467 -2.463 -7.710 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.738 -1.036 -9.169 1.00 0.00 H new ATOM 0 HG3 PRO A 10 15.564 -2.160 -9.826 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.218 0.524 -10.120 1.00 0.00 H new ATOM 0 HD3 PRO A 10 13.838 -0.533 -9.898 1.00 0.00 H new ATOM 169 N GLU A 11 16.864 0.983 -6.813 1.00 0.00 N ATOM 170 CA GLU A 11 17.927 1.697 -6.120 1.00 0.00 C ATOM 171 C GLU A 11 17.345 2.612 -5.047 1.00 0.00 C ATOM 172 O GLU A 11 17.715 2.491 -3.879 1.00 0.00 O ATOM 173 CB GLU A 11 18.791 2.488 -7.108 1.00 0.00 C ATOM 174 CG GLU A 11 19.552 1.560 -8.061 1.00 0.00 C ATOM 175 CD GLU A 11 20.771 2.280 -8.626 1.00 0.00 C ATOM 176 OE1 GLU A 11 20.610 3.170 -9.492 1.00 0.00 O ATOM 177 OE2 GLU A 11 21.900 2.004 -8.161 1.00 0.00 O ATOM 0 H GLU A 11 16.861 1.140 -7.821 1.00 0.00 H new ATOM 0 HA GLU A 11 18.569 0.964 -5.631 1.00 0.00 H new ATOM 0 HB2 GLU A 11 18.159 3.164 -7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 11 19.500 3.106 -6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 11 19.864 0.659 -7.533 1.00 0.00 H new ATOM 0 HG3 GLU A 11 18.898 1.243 -8.873 1.00 0.00 H new ATOM 184 N LYS A 12 16.391 3.474 -5.424 1.00 0.00 N ATOM 185 CA LYS A 12 15.751 4.409 -4.502 1.00 0.00 C ATOM 186 C LYS A 12 15.161 3.653 -3.308 1.00 0.00 C ATOM 187 O LYS A 12 15.269 4.101 -2.169 1.00 0.00 O ATOM 188 CB LYS A 12 14.665 5.210 -5.250 1.00 0.00 C ATOM 189 CG LYS A 12 14.269 6.491 -4.487 1.00 0.00 C ATOM 190 CD LYS A 12 14.869 7.765 -5.101 1.00 0.00 C ATOM 191 CE LYS A 12 14.643 8.963 -4.168 1.00 0.00 C ATOM 192 NZ LYS A 12 14.710 10.263 -4.876 1.00 0.00 N ATOM 0 H LYS A 12 16.044 3.539 -6.381 1.00 0.00 H new ATOM 0 HA LYS A 12 16.493 5.109 -4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 12 15.029 5.476 -6.242 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.784 4.584 -5.391 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.183 6.578 -4.473 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.595 6.405 -3.450 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.936 7.626 -5.274 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.412 7.960 -6.071 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.669 8.865 -3.688 1.00 0.00 H new ATOM 0 HE3 LYS A 12 15.391 8.947 -3.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.551 11.036 -4.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.648 10.373 -5.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 13.979 10.294 -5.615 1.00 0.00 H new ATOM 206 N LEU A 13 14.559 2.485 -3.554 1.00 0.00 N ATOM 207 CA LEU A 13 13.929 1.668 -2.517 1.00 0.00 C ATOM 208 C LEU A 13 14.961 1.146 -1.525 1.00 0.00 C ATOM 209 O LEU A 13 14.672 1.053 -0.331 1.00 0.00 O ATOM 210 CB LEU A 13 13.148 0.496 -3.142 1.00 0.00 C ATOM 211 CG LEU A 13 11.682 0.799 -3.488 1.00 0.00 C ATOM 212 CD1 LEU A 13 10.796 0.969 -2.260 1.00 0.00 C ATOM 213 CD2 LEU A 13 11.511 2.056 -4.335 1.00 0.00 C ATOM 0 H LEU A 13 14.496 2.078 -4.487 1.00 0.00 H new ATOM 0 HA LEU A 13 13.228 2.303 -1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 13 13.662 0.181 -4.050 1.00 0.00 H new ATOM 0 HB3 LEU A 13 13.175 -0.347 -2.452 1.00 0.00 H new ATOM 0 HG LEU A 13 11.372 -0.079 -4.054 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.774 1.181 -2.575 1.00 0.00 H new ATOM 0 HD12 LEU A 13 10.811 0.052 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 13 11.168 1.796 -1.655 1.00 0.00 H new ATOM 0 HD21 LEU A 13 10.453 2.213 -4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 13 11.905 2.916 -3.794 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.053 1.939 -5.274 1.00 0.00 H new ATOM 225 N LYS A 14 16.168 0.795 -1.973 1.00 0.00 N ATOM 226 CA LYS A 14 17.241 0.466 -1.048 1.00 0.00 C ATOM 227 C LYS A 14 17.575 1.696 -0.200 1.00 0.00 C ATOM 228 O LYS A 14 17.573 1.574 1.025 1.00 0.00 O ATOM 229 CB LYS A 14 18.435 -0.150 -1.789 1.00 0.00 C ATOM 230 CG LYS A 14 18.327 -1.686 -1.837 1.00 0.00 C ATOM 231 CD LYS A 14 17.104 -2.209 -2.598 1.00 0.00 C ATOM 232 CE LYS A 14 17.258 -3.627 -3.163 1.00 0.00 C ATOM 233 NZ LYS A 14 17.373 -4.671 -2.127 1.00 0.00 N ATOM 0 H LYS A 14 16.420 0.733 -2.959 1.00 0.00 H new ATOM 0 HA LYS A 14 16.922 -0.309 -0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.481 0.246 -2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.362 0.137 -1.293 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.228 -2.087 -2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 14 18.296 -2.068 -0.817 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.242 -2.190 -1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.885 -1.527 -3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.400 -3.851 -3.797 1.00 0.00 H new ATOM 0 HE3 LYS A 14 18.142 -3.661 -3.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.474 -5.601 -2.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.207 -4.482 -1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.519 -4.666 -1.533 1.00 0.00 H new ATOM 247 N GLU A 15 17.753 2.871 -0.812 1.00 0.00 N ATOM 248 CA GLU A 15 18.198 4.091 -0.121 1.00 0.00 C ATOM 249 C GLU A 15 17.217 4.534 0.970 1.00 0.00 C ATOM 250 O GLU A 15 17.617 4.903 2.080 1.00 0.00 O ATOM 251 CB GLU A 15 18.433 5.248 -1.109 1.00 0.00 C ATOM 252 CG GLU A 15 19.372 4.862 -2.260 1.00 0.00 C ATOM 253 CD GLU A 15 20.361 5.969 -2.618 1.00 0.00 C ATOM 254 OE1 GLU A 15 19.911 7.050 -3.060 1.00 0.00 O ATOM 255 OE2 GLU A 15 21.589 5.740 -2.496 1.00 0.00 O ATOM 0 H GLU A 15 17.591 3.006 -1.810 1.00 0.00 H new ATOM 0 HA GLU A 15 19.144 3.838 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 15 17.476 5.570 -1.519 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.853 6.099 -0.573 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.924 3.963 -1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.778 4.615 -3.140 1.00 0.00 H new ATOM 262 N LEU A 16 15.918 4.436 0.675 1.00 0.00 N ATOM 263 CA LEU A 16 14.800 4.704 1.595 1.00 0.00 C ATOM 264 C LEU A 16 14.871 3.879 2.886 1.00 0.00 C ATOM 265 O LEU A 16 14.178 4.189 3.852 1.00 0.00 O ATOM 266 CB LEU A 16 13.466 4.403 0.880 1.00 0.00 C ATOM 267 CG LEU A 16 12.626 5.618 0.464 1.00 0.00 C ATOM 268 CD1 LEU A 16 13.416 6.673 -0.304 1.00 0.00 C ATOM 269 CD2 LEU A 16 11.477 5.131 -0.427 1.00 0.00 C ATOM 0 H LEU A 16 15.598 4.155 -0.252 1.00 0.00 H new ATOM 0 HA LEU A 16 14.868 5.754 1.878 1.00 0.00 H new ATOM 0 HB2 LEU A 16 13.682 3.815 -0.012 1.00 0.00 H new ATOM 0 HB3 LEU A 16 12.860 3.777 1.536 1.00 0.00 H new ATOM 0 HG LEU A 16 12.270 6.089 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 16 12.758 7.502 -0.565 1.00 0.00 H new ATOM 0 HD12 LEU A 16 14.233 7.040 0.318 1.00 0.00 H new ATOM 0 HD13 LEU A 16 13.823 6.232 -1.214 1.00 0.00 H new ATOM 0 HD21 LEU A 16 10.868 5.982 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 16 11.885 4.640 -1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 16 10.860 4.424 0.128 1.00 0.00 H new ATOM 281 N SER A 17 15.713 2.843 2.908 1.00 0.00 N ATOM 282 CA SER A 17 15.940 1.941 4.027 1.00 0.00 C ATOM 283 C SER A 17 14.629 1.265 4.448 1.00 0.00 C ATOM 284 O SER A 17 14.367 1.056 5.626 1.00 0.00 O ATOM 285 CB SER A 17 16.703 2.673 5.140 1.00 0.00 C ATOM 286 OG SER A 17 17.865 3.294 4.595 1.00 0.00 O ATOM 0 H SER A 17 16.284 2.602 2.098 1.00 0.00 H new ATOM 0 HA SER A 17 16.588 1.114 3.736 1.00 0.00 H new ATOM 0 HB2 SER A 17 16.061 3.423 5.603 1.00 0.00 H new ATOM 0 HB3 SER A 17 16.987 1.970 5.923 1.00 0.00 H new ATOM 0 HG SER A 17 17.602 3.905 3.875 1.00 0.00 H new ATOM 292 N VAL A 18 13.829 0.883 3.451 1.00 0.00 N ATOM 293 CA VAL A 18 12.584 0.129 3.550 1.00 0.00 C ATOM 294 C VAL A 18 12.794 -1.179 4.314 1.00 0.00 C ATOM 295 O VAL A 18 11.920 -1.608 5.056 1.00 0.00 O ATOM 296 CB VAL A 18 12.020 -0.101 2.134 1.00 0.00 C ATOM 297 CG1 VAL A 18 10.636 -0.741 2.138 1.00 0.00 C ATOM 298 CG2 VAL A 18 11.912 1.222 1.370 1.00 0.00 C ATOM 0 H VAL A 18 14.054 1.111 2.483 1.00 0.00 H new ATOM 0 HA VAL A 18 11.852 0.700 4.121 1.00 0.00 H new ATOM 0 HB VAL A 18 12.721 -0.781 1.650 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.295 -0.876 1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 18 10.685 -1.710 2.635 1.00 0.00 H new ATOM 0 HG13 VAL A 18 9.938 -0.095 2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.512 1.035 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.248 1.899 1.907 1.00 0.00 H new ATOM 0 HG23 VAL A 18 12.900 1.675 1.285 1.00 0.00 H new ATOM 308 N GLU A 19 13.982 -1.772 4.221 1.00 0.00 N ATOM 309 CA GLU A 19 14.393 -2.912 5.036 1.00 0.00 C ATOM 310 C GLU A 19 14.317 -2.649 6.556 1.00 0.00 C ATOM 311 O GLU A 19 14.312 -3.605 7.334 1.00 0.00 O ATOM 312 CB GLU A 19 15.814 -3.324 4.620 1.00 0.00 C ATOM 313 CG GLU A 19 16.811 -2.155 4.743 1.00 0.00 C ATOM 314 CD GLU A 19 18.268 -2.547 4.525 1.00 0.00 C ATOM 315 OE1 GLU A 19 18.643 -3.705 4.810 1.00 0.00 O ATOM 316 OE2 GLU A 19 19.063 -1.689 4.076 1.00 0.00 O ATOM 0 H GLU A 19 14.700 -1.467 3.564 1.00 0.00 H new ATOM 0 HA GLU A 19 13.688 -3.723 4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 19 16.149 -4.153 5.243 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.801 -3.683 3.591 1.00 0.00 H new ATOM 0 HG2 GLU A 19 16.542 -1.386 4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.711 -1.710 5.733 1.00 0.00 H new ATOM 323 N LYS A 20 14.243 -1.388 6.995 1.00 0.00 N ATOM 324 CA LYS A 20 14.153 -0.964 8.399 1.00 0.00 C ATOM 325 C LYS A 20 12.731 -0.563 8.770 1.00 0.00 C ATOM 326 O LYS A 20 12.473 -0.249 9.937 1.00 0.00 O ATOM 327 CB LYS A 20 15.150 0.181 8.687 1.00 0.00 C ATOM 328 CG LYS A 20 16.536 -0.214 8.175 1.00 0.00 C ATOM 329 CD LYS A 20 17.720 0.623 8.659 1.00 0.00 C ATOM 330 CE LYS A 20 18.946 -0.294 8.530 1.00 0.00 C ATOM 331 NZ LYS A 20 20.209 0.402 8.235 1.00 0.00 N ATOM 0 H LYS A 20 14.244 -0.597 6.352 1.00 0.00 H new ATOM 0 HA LYS A 20 14.423 -1.815 9.024 1.00 0.00 H new ATOM 0 HB2 LYS A 20 14.818 1.098 8.201 1.00 0.00 H new ATOM 0 HB3 LYS A 20 15.189 0.384 9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 20 16.718 -1.251 8.456 1.00 0.00 H new ATOM 0 HG3 LYS A 20 16.518 -0.177 7.086 1.00 0.00 H new ATOM 0 HD2 LYS A 20 17.837 1.523 8.056 1.00 0.00 H new ATOM 0 HD3 LYS A 20 17.578 0.946 9.690 1.00 0.00 H new ATOM 0 HE2 LYS A 20 19.064 -0.853 9.459 1.00 0.00 H new ATOM 0 HE3 LYS A 20 18.756 -1.022 7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 20.980 -0.292 8.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 20.121 0.913 7.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 20.419 1.078 8.997 1.00 0.00 H new ATOM 345 N TRP A 21 11.823 -0.531 7.796 1.00 0.00 N ATOM 346 CA TRP A 21 10.425 -0.197 7.994 1.00 0.00 C ATOM 347 C TRP A 21 9.731 -1.433 8.595 1.00 0.00 C ATOM 348 O TRP A 21 10.291 -2.539 8.565 1.00 0.00 O ATOM 349 CB TRP A 21 9.803 0.235 6.651 1.00 0.00 C ATOM 350 CG TRP A 21 10.370 1.466 5.997 1.00 0.00 C ATOM 351 CD1 TRP A 21 11.518 2.095 6.337 1.00 0.00 C ATOM 352 CD2 TRP A 21 9.851 2.218 4.852 1.00 0.00 C ATOM 353 NE1 TRP A 21 11.738 3.164 5.505 1.00 0.00 N ATOM 354 CE2 TRP A 21 10.750 3.287 4.561 1.00 0.00 C ATOM 355 CE3 TRP A 21 8.719 2.104 4.018 1.00 0.00 C ATOM 356 CZ2 TRP A 21 10.548 4.182 3.504 1.00 0.00 C ATOM 357 CZ3 TRP A 21 8.455 3.048 3.008 1.00 0.00 C ATOM 358 CH2 TRP A 21 9.374 4.084 2.739 1.00 0.00 C ATOM 0 H TRP A 21 12.051 -0.743 6.825 1.00 0.00 H new ATOM 0 HA TRP A 21 10.303 0.641 8.681 1.00 0.00 H new ATOM 0 HB2 TRP A 21 9.900 -0.595 5.951 1.00 0.00 H new ATOM 0 HB3 TRP A 21 8.737 0.396 6.809 1.00 0.00 H new ATOM 0 HD1 TRP A 21 12.168 1.799 7.147 1.00 0.00 H new ATOM 0 HE1 TRP A 21 12.539 3.791 5.579 1.00 0.00 H new ATOM 0 HE3 TRP A 21 8.041 1.275 4.157 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 11.285 4.938 3.279 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 7.542 2.979 2.435 1.00 0.00 H new ATOM 0 HH2 TRP A 21 9.177 4.796 1.951 1.00 0.00 H new ATOM 369 N PRO A 22 8.518 -1.301 9.147 1.00 0.00 N ATOM 370 CA PRO A 22 7.741 -2.457 9.569 1.00 0.00 C ATOM 371 C PRO A 22 7.239 -3.261 8.357 1.00 0.00 C ATOM 372 O PRO A 22 6.809 -2.698 7.343 1.00 0.00 O ATOM 373 CB PRO A 22 6.601 -1.874 10.403 1.00 0.00 C ATOM 374 CG PRO A 22 6.409 -0.470 9.838 1.00 0.00 C ATOM 375 CD PRO A 22 7.835 -0.060 9.490 1.00 0.00 C ATOM 0 HA PRO A 22 8.328 -3.169 10.149 1.00 0.00 H new ATOM 0 HB2 PRO A 22 5.693 -2.469 10.309 1.00 0.00 H new ATOM 0 HB3 PRO A 22 6.856 -1.846 11.462 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.761 -0.470 8.962 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.959 0.204 10.567 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.850 0.641 8.656 1.00 0.00 H new ATOM 0 HD3 PRO A 22 8.319 0.436 10.332 1.00 0.00 H new ATOM 383 N ILE A 23 7.261 -4.591 8.470 1.00 0.00 N ATOM 384 CA ILE A 23 6.542 -5.485 7.566 1.00 0.00 C ATOM 385 C ILE A 23 5.088 -5.529 8.056 1.00 0.00 C ATOM 386 O ILE A 23 4.807 -5.365 9.248 1.00 0.00 O ATOM 387 CB ILE A 23 7.226 -6.884 7.529 1.00 0.00 C ATOM 388 CG1 ILE A 23 8.611 -6.772 6.846 1.00 0.00 C ATOM 389 CG2 ILE A 23 6.377 -7.940 6.791 1.00 0.00 C ATOM 390 CD1 ILE A 23 9.446 -8.058 6.797 1.00 0.00 C ATOM 0 H ILE A 23 7.783 -5.079 9.198 1.00 0.00 H new ATOM 0 HA ILE A 23 6.560 -5.130 6.535 1.00 0.00 H new ATOM 0 HB ILE A 23 7.335 -7.214 8.562 1.00 0.00 H new ATOM 0 HG12 ILE A 23 8.462 -6.420 5.825 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.189 -6.008 7.365 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.901 -8.896 6.795 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.416 -8.051 7.294 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.213 -7.621 5.762 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.393 -7.858 6.297 1.00 0.00 H new ATOM 0 HD12 ILE A 23 9.638 -8.406 7.812 1.00 0.00 H new ATOM 0 HD13 ILE A 23 8.901 -8.825 6.248 1.00 0.00 H new ATOM 402 N TRP A 24 4.155 -5.766 7.134 1.00 0.00 N ATOM 403 CA TRP A 24 2.845 -6.319 7.432 1.00 0.00 C ATOM 404 C TRP A 24 2.545 -7.371 6.365 1.00 0.00 C ATOM 405 O TRP A 24 2.845 -7.165 5.184 1.00 0.00 O ATOM 406 CB TRP A 24 1.814 -5.188 7.489 1.00 0.00 C ATOM 407 CG TRP A 24 0.367 -5.528 7.686 1.00 0.00 C ATOM 408 CD1 TRP A 24 -0.329 -5.291 8.819 1.00 0.00 C ATOM 409 CD2 TRP A 24 -0.620 -5.984 6.710 1.00 0.00 C ATOM 410 NE1 TRP A 24 -1.670 -5.540 8.608 1.00 0.00 N ATOM 411 CE2 TRP A 24 -1.916 -5.901 7.303 1.00 0.00 C ATOM 412 CE3 TRP A 24 -0.561 -6.407 5.367 1.00 0.00 C ATOM 413 CZ2 TRP A 24 -3.094 -6.152 6.583 1.00 0.00 C ATOM 414 CZ3 TRP A 24 -1.733 -6.621 4.625 1.00 0.00 C ATOM 415 CH2 TRP A 24 -2.994 -6.474 5.220 1.00 0.00 C ATOM 0 H TRP A 24 4.297 -5.574 6.142 1.00 0.00 H new ATOM 0 HA TRP A 24 2.809 -6.804 8.407 1.00 0.00 H new ATOM 0 HB2 TRP A 24 2.107 -4.517 8.297 1.00 0.00 H new ATOM 0 HB3 TRP A 24 1.895 -4.623 6.561 1.00 0.00 H new ATOM 0 HD1 TRP A 24 0.100 -4.956 9.752 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -2.388 -5.466 9.328 1.00 0.00 H new ATOM 0 HE3 TRP A 24 0.400 -6.569 4.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -4.058 -6.099 7.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -1.663 -6.902 3.585 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.888 -6.608 4.630 1.00 0.00 H new ATOM 426 N GLU A 25 1.918 -8.462 6.792 1.00 0.00 N ATOM 427 CA GLU A 25 1.406 -9.579 6.000 1.00 0.00 C ATOM 428 C GLU A 25 -0.045 -9.847 6.401 1.00 0.00 C ATOM 429 O GLU A 25 -0.432 -9.579 7.545 1.00 0.00 O ATOM 430 CB GLU A 25 2.248 -10.852 6.213 1.00 0.00 C ATOM 431 CG GLU A 25 2.790 -11.020 7.645 1.00 0.00 C ATOM 432 CD GLU A 25 2.887 -12.456 8.158 1.00 0.00 C ATOM 433 OE1 GLU A 25 3.160 -13.398 7.386 1.00 0.00 O ATOM 434 OE2 GLU A 25 2.738 -12.640 9.391 1.00 0.00 O ATOM 0 H GLU A 25 1.739 -8.601 7.786 1.00 0.00 H new ATOM 0 HA GLU A 25 1.465 -9.313 4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.641 -11.722 5.962 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.088 -10.839 5.518 1.00 0.00 H new ATOM 0 HG2 GLU A 25 3.782 -10.570 7.692 1.00 0.00 H new ATOM 0 HG3 GLU A 25 2.151 -10.455 8.323 1.00 0.00 H new ATOM 441 N LYS A 26 -0.864 -10.399 5.503 1.00 0.00 N ATOM 442 CA LYS A 26 -2.216 -10.847 5.841 1.00 0.00 C ATOM 443 C LYS A 26 -2.640 -11.964 4.902 1.00 0.00 C ATOM 444 O LYS A 26 -2.017 -12.182 3.858 1.00 0.00 O ATOM 445 CB LYS A 26 -3.194 -9.665 5.805 1.00 0.00 C ATOM 446 CG LYS A 26 -4.271 -9.708 6.904 1.00 0.00 C ATOM 447 CD LYS A 26 -5.716 -9.721 6.394 1.00 0.00 C ATOM 448 CE LYS A 26 -6.618 -9.527 7.621 1.00 0.00 C ATOM 449 NZ LYS A 26 -7.955 -10.160 7.514 1.00 0.00 N ATOM 0 H LYS A 26 -0.610 -10.547 4.526 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.224 -11.244 6.856 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -2.630 -8.737 5.900 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.684 -9.642 4.832 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -4.109 -10.596 7.516 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -4.139 -8.844 7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -5.877 -8.926 5.666 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.941 -10.662 5.893 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.109 -9.930 8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.750 -8.459 7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.495 -9.979 8.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.465 -9.760 6.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.844 -11.186 7.382 1.00 0.00 H new ATOM 463 N GLU A 27 -3.702 -12.646 5.304 1.00 0.00 N ATOM 464 CA GLU A 27 -4.425 -13.640 4.530 1.00 0.00 C ATOM 465 C GLU A 27 -5.215 -12.967 3.414 1.00 0.00 C ATOM 466 O GLU A 27 -5.323 -11.740 3.329 1.00 0.00 O ATOM 467 CB GLU A 27 -5.397 -14.381 5.457 1.00 0.00 C ATOM 468 CG GLU A 27 -5.149 -15.871 5.664 1.00 0.00 C ATOM 469 CD GLU A 27 -5.673 -16.641 4.467 1.00 0.00 C ATOM 470 OE1 GLU A 27 -5.060 -16.521 3.389 1.00 0.00 O ATOM 471 OE2 GLU A 27 -6.786 -17.208 4.570 1.00 0.00 O ATOM 0 H GLU A 27 -4.104 -12.512 6.232 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.714 -14.339 4.090 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -5.374 -13.894 6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.405 -14.256 5.062 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -4.083 -16.059 5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -5.645 -16.210 6.574 1.00 0.00 H new ATOM 478 N VAL A 28 -5.844 -13.825 2.628 1.00 0.00 N ATOM 479 CA VAL A 28 -6.530 -13.605 1.357 1.00 0.00 C ATOM 480 C VAL A 28 -7.963 -13.122 1.636 1.00 0.00 C ATOM 481 O VAL A 28 -8.968 -13.662 1.168 1.00 0.00 O ATOM 482 CB VAL A 28 -6.379 -14.921 0.559 1.00 0.00 C ATOM 483 CG1 VAL A 28 -6.999 -14.868 -0.841 1.00 0.00 C ATOM 484 CG2 VAL A 28 -4.874 -15.205 0.404 1.00 0.00 C ATOM 0 H VAL A 28 -5.894 -14.809 2.893 1.00 0.00 H new ATOM 0 HA VAL A 28 -6.109 -12.812 0.739 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.906 -15.699 1.112 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -6.854 -15.826 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.066 -14.660 -0.759 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.519 -14.080 -1.422 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.734 -16.130 -0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -4.402 -14.381 -0.131 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.419 -15.306 1.390 1.00 0.00 H new ATOM 494 N SER A 29 -8.040 -12.116 2.500 1.00 0.00 N ATOM 495 CA SER A 29 -9.217 -11.642 3.188 1.00 0.00 C ATOM 496 C SER A 29 -9.684 -10.321 2.564 1.00 0.00 C ATOM 497 O SER A 29 -9.235 -9.912 1.491 1.00 0.00 O ATOM 498 CB SER A 29 -8.812 -11.557 4.665 1.00 0.00 C ATOM 499 OG SER A 29 -9.899 -11.339 5.541 1.00 0.00 O ATOM 0 H SER A 29 -7.213 -11.575 2.751 1.00 0.00 H new ATOM 0 HA SER A 29 -10.082 -12.299 3.099 1.00 0.00 H new ATOM 0 HB2 SER A 29 -8.309 -12.481 4.948 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.090 -10.750 4.789 1.00 0.00 H new ATOM 0 HG SER A 29 -9.708 -11.752 6.409 1.00 0.00 H new ATOM 505 N GLU A 30 -10.617 -9.636 3.214 1.00 0.00 N ATOM 506 CA GLU A 30 -11.118 -8.352 2.762 1.00 0.00 C ATOM 507 C GLU A 30 -11.521 -7.526 3.975 1.00 0.00 C ATOM 508 O GLU A 30 -12.149 -8.039 4.904 1.00 0.00 O ATOM 509 CB GLU A 30 -12.280 -8.554 1.782 1.00 0.00 C ATOM 510 CG GLU A 30 -13.439 -9.435 2.286 1.00 0.00 C ATOM 511 CD GLU A 30 -14.767 -8.695 2.187 1.00 0.00 C ATOM 512 OE1 GLU A 30 -15.209 -8.414 1.047 1.00 0.00 O ATOM 513 OE2 GLU A 30 -15.377 -8.394 3.237 1.00 0.00 O ATOM 0 H GLU A 30 -11.049 -9.963 4.078 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.342 -7.808 2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -12.681 -7.576 1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.885 -8.995 0.867 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.485 -10.353 1.700 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.257 -9.726 3.320 1.00 0.00 H new ATOM 520 N PHE A 31 -11.140 -6.255 3.978 1.00 0.00 N ATOM 521 CA PHE A 31 -11.367 -5.330 5.083 1.00 0.00 C ATOM 522 C PHE A 31 -11.422 -3.902 4.542 1.00 0.00 C ATOM 523 O PHE A 31 -11.608 -3.701 3.338 1.00 0.00 O ATOM 524 CB PHE A 31 -10.308 -5.538 6.182 1.00 0.00 C ATOM 525 CG PHE A 31 -8.862 -5.352 5.761 1.00 0.00 C ATOM 526 CD1 PHE A 31 -8.137 -6.441 5.241 1.00 0.00 C ATOM 527 CD2 PHE A 31 -8.225 -4.106 5.924 1.00 0.00 C ATOM 528 CE1 PHE A 31 -6.785 -6.286 4.894 1.00 0.00 C ATOM 529 CE2 PHE A 31 -6.877 -3.947 5.569 1.00 0.00 C ATOM 530 CZ PHE A 31 -6.159 -5.038 5.057 1.00 0.00 C ATOM 0 H PHE A 31 -10.652 -5.827 3.192 1.00 0.00 H new ATOM 0 HA PHE A 31 -12.328 -5.527 5.557 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -10.519 -4.846 6.997 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.422 -6.546 6.582 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -8.621 -7.397 5.109 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -8.777 -3.269 6.324 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -6.227 -7.124 4.503 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.394 -2.989 5.689 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.120 -4.918 4.787 1.00 0.00 H new ATOM 540 N ASP A 32 -11.316 -2.896 5.408 1.00 0.00 N ATOM 541 CA ASP A 32 -11.219 -1.496 5.044 1.00 0.00 C ATOM 542 C ASP A 32 -10.167 -0.812 5.911 1.00 0.00 C ATOM 543 O ASP A 32 -9.908 -1.246 7.037 1.00 0.00 O ATOM 544 CB ASP A 32 -12.599 -0.838 5.166 1.00 0.00 C ATOM 545 CG ASP A 32 -12.965 -0.434 6.590 1.00 0.00 C ATOM 546 OD1 ASP A 32 -12.539 0.653 7.039 1.00 0.00 O ATOM 547 OD2 ASP A 32 -13.768 -1.161 7.212 1.00 0.00 O ATOM 0 H ASP A 32 -11.295 -3.046 6.417 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.900 -1.394 4.007 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -12.627 0.046 4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -13.354 -1.527 4.788 1.00 0.00 H new ATOM 552 N TRP A 33 -9.549 0.241 5.379 1.00 0.00 N ATOM 553 CA TRP A 33 -8.507 1.017 6.031 1.00 0.00 C ATOM 554 C TRP A 33 -8.865 2.499 5.981 1.00 0.00 C ATOM 555 O TRP A 33 -9.255 3.027 4.928 1.00 0.00 O ATOM 556 CB TRP A 33 -7.150 0.758 5.360 1.00 0.00 C ATOM 557 CG TRP A 33 -5.966 0.940 6.261 1.00 0.00 C ATOM 558 CD1 TRP A 33 -5.077 1.957 6.224 1.00 0.00 C ATOM 559 CD2 TRP A 33 -5.560 0.105 7.385 1.00 0.00 C ATOM 560 NE1 TRP A 33 -4.087 1.748 7.165 1.00 0.00 N ATOM 561 CE2 TRP A 33 -4.347 0.627 7.923 1.00 0.00 C ATOM 562 CE3 TRP A 33 -6.116 -1.026 8.022 1.00 0.00 C ATOM 563 CZ2 TRP A 33 -3.695 0.028 9.010 1.00 0.00 C ATOM 564 CZ3 TRP A 33 -5.499 -1.603 9.147 1.00 0.00 C ATOM 565 CH2 TRP A 33 -4.291 -1.078 9.639 1.00 0.00 C ATOM 0 H TRP A 33 -9.772 0.587 4.446 1.00 0.00 H new ATOM 0 HA TRP A 33 -8.430 0.711 7.074 1.00 0.00 H new ATOM 0 HB2 TRP A 33 -7.140 -0.260 4.970 1.00 0.00 H new ATOM 0 HB3 TRP A 33 -7.047 1.428 4.506 1.00 0.00 H new ATOM 0 HD1 TRP A 33 -5.132 2.806 5.559 1.00 0.00 H new ATOM 0 HE1 TRP A 33 -3.269 2.346 7.283 1.00 0.00 H new ATOM 0 HE3 TRP A 33 -7.030 -1.455 7.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -2.748 0.411 9.359 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -5.955 -2.452 9.634 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -3.820 -1.526 10.502 1.00 0.00 H new ATOM 576 N TYR A 34 -8.687 3.170 7.116 1.00 0.00 N ATOM 577 CA TYR A 34 -8.783 4.609 7.248 1.00 0.00 C ATOM 578 C TYR A 34 -7.354 5.112 7.420 1.00 0.00 C ATOM 579 O TYR A 34 -6.696 4.846 8.428 1.00 0.00 O ATOM 580 CB TYR A 34 -9.704 4.967 8.418 1.00 0.00 C ATOM 581 CG TYR A 34 -10.214 6.400 8.423 1.00 0.00 C ATOM 582 CD1 TYR A 34 -9.328 7.484 8.589 1.00 0.00 C ATOM 583 CD2 TYR A 34 -11.600 6.643 8.369 1.00 0.00 C ATOM 584 CE1 TYR A 34 -9.816 8.796 8.718 1.00 0.00 C ATOM 585 CE2 TYR A 34 -12.100 7.946 8.522 1.00 0.00 C ATOM 586 CZ TYR A 34 -11.214 9.026 8.726 1.00 0.00 C ATOM 587 OH TYR A 34 -11.716 10.277 8.910 1.00 0.00 O ATOM 0 H TYR A 34 -8.464 2.704 7.996 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.229 5.086 6.376 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -10.561 4.293 8.405 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -9.169 4.785 9.350 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.263 7.305 8.617 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -12.283 5.822 8.209 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.129 9.624 8.811 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -13.165 8.122 8.484 1.00 0.00 H new ATOM 0 HH TYR A 34 -12.695 10.244 8.884 1.00 0.00 H new ATOM 597 N TYR A 35 -6.837 5.791 6.406 1.00 0.00 N ATOM 598 CA TYR A 35 -5.572 6.489 6.482 1.00 0.00 C ATOM 599 C TYR A 35 -5.824 7.802 7.196 1.00 0.00 C ATOM 600 O TYR A 35 -6.658 8.582 6.741 1.00 0.00 O ATOM 601 CB TYR A 35 -5.046 6.741 5.074 1.00 0.00 C ATOM 602 CG TYR A 35 -4.757 5.453 4.347 1.00 0.00 C ATOM 603 CD1 TYR A 35 -3.491 4.875 4.501 1.00 0.00 C ATOM 604 CD2 TYR A 35 -5.752 4.794 3.601 1.00 0.00 C ATOM 605 CE1 TYR A 35 -3.184 3.668 3.860 1.00 0.00 C ATOM 606 CE2 TYR A 35 -5.465 3.566 2.980 1.00 0.00 C ATOM 607 CZ TYR A 35 -4.173 3.010 3.102 1.00 0.00 C ATOM 608 OH TYR A 35 -3.899 1.806 2.550 1.00 0.00 O ATOM 0 H TYR A 35 -7.294 5.871 5.498 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.829 5.902 7.022 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.778 7.320 4.511 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -4.137 7.340 5.127 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -2.749 5.362 5.116 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.735 5.231 3.506 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -2.195 3.244 3.946 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -6.227 3.052 2.414 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.702 1.244 2.575 1.00 0.00 H new ATOM 618 N ASP A 36 -5.118 8.053 8.294 1.00 0.00 N ATOM 619 CA ASP A 36 -5.248 9.285 9.082 1.00 0.00 C ATOM 620 C ASP A 36 -3.896 9.989 9.249 1.00 0.00 C ATOM 621 O ASP A 36 -3.803 11.003 9.932 1.00 0.00 O ATOM 622 CB ASP A 36 -5.915 8.982 10.427 1.00 0.00 C ATOM 623 CG ASP A 36 -6.538 10.230 11.061 1.00 0.00 C ATOM 624 OD1 ASP A 36 -7.493 10.789 10.476 1.00 0.00 O ATOM 625 OD2 ASP A 36 -6.133 10.612 12.182 1.00 0.00 O ATOM 0 H ASP A 36 -4.429 7.402 8.671 1.00 0.00 H new ATOM 0 HA ASP A 36 -5.891 9.979 8.541 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -6.687 8.225 10.285 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -5.177 8.560 11.109 1.00 0.00 H new ATOM 630 N THR A 37 -2.850 9.480 8.591 1.00 0.00 N ATOM 631 CA THR A 37 -1.565 10.132 8.352 1.00 0.00 C ATOM 632 C THR A 37 -1.016 9.652 7.017 1.00 0.00 C ATOM 633 O THR A 37 -1.667 8.877 6.316 1.00 0.00 O ATOM 634 CB THR A 37 -0.587 9.993 9.540 1.00 0.00 C ATOM 635 OG1 THR A 37 -1.027 9.084 10.535 1.00 0.00 O ATOM 636 CG2 THR A 37 -0.442 11.389 10.150 1.00 0.00 C ATOM 0 H THR A 37 -2.883 8.544 8.187 1.00 0.00 H new ATOM 0 HA THR A 37 -1.709 11.210 8.282 1.00 0.00 H new ATOM 0 HB THR A 37 0.357 9.591 9.171 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.364 9.041 11.255 1.00 0.00 H new ATOM 0 HG21 THR A 37 0.242 11.346 10.998 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.048 12.075 9.400 1.00 0.00 H new ATOM 0 HG23 THR A 37 -1.417 11.742 10.488 1.00 0.00 H new ATOM 644 N ASN A 38 0.131 10.201 6.619 1.00 0.00 N ATOM 645 CA ASN A 38 0.778 9.817 5.381 1.00 0.00 C ATOM 646 C ASN A 38 1.185 8.360 5.565 1.00 0.00 C ATOM 647 O ASN A 38 1.661 7.982 6.642 1.00 0.00 O ATOM 648 CB ASN A 38 2.014 10.686 5.122 1.00 0.00 C ATOM 649 CG ASN A 38 1.792 12.175 5.341 1.00 0.00 C ATOM 650 OD1 ASN A 38 2.144 12.687 6.507 1.00 0.00 O flip ATOM 651 ND2 ASN A 38 1.279 12.890 4.481 1.00 0.00 N flip ATOM 0 H ASN A 38 0.629 10.918 7.146 1.00 0.00 H new ATOM 0 HA ASN A 38 0.114 9.949 4.527 1.00 0.00 H new ATOM 0 HB2 ASN A 38 2.821 10.352 5.774 1.00 0.00 H new ATOM 0 HB3 ASN A 38 2.346 10.528 4.096 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.008 12.492 3.582 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.124 13.881 4.667 1.00 0.00 H new ATOM 658 N GLU A 39 0.991 7.530 4.547 1.00 0.00 N ATOM 659 CA GLU A 39 1.243 6.104 4.658 1.00 0.00 C ATOM 660 C GLU A 39 1.797 5.630 3.331 1.00 0.00 C ATOM 661 O GLU A 39 1.057 5.492 2.355 1.00 0.00 O ATOM 662 CB GLU A 39 -0.045 5.387 5.067 1.00 0.00 C ATOM 663 CG GLU A 39 0.208 3.976 5.621 1.00 0.00 C ATOM 664 CD GLU A 39 -0.949 3.495 6.512 1.00 0.00 C ATOM 665 OE1 GLU A 39 -1.443 4.283 7.352 1.00 0.00 O ATOM 666 OE2 GLU A 39 -1.376 2.328 6.344 1.00 0.00 O ATOM 0 H GLU A 39 0.657 7.826 3.630 1.00 0.00 H new ATOM 0 HA GLU A 39 1.976 5.878 5.432 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.562 5.981 5.821 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.708 5.320 4.204 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.343 3.280 4.793 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.135 3.972 6.195 1.00 0.00 H new ATOM 673 N THR A 40 3.116 5.464 3.274 1.00 0.00 N ATOM 674 CA THR A 40 3.728 4.867 2.103 1.00 0.00 C ATOM 675 C THR A 40 3.446 3.356 2.184 1.00 0.00 C ATOM 676 O THR A 40 3.550 2.839 3.307 1.00 0.00 O ATOM 677 CB THR A 40 5.237 5.200 2.094 1.00 0.00 C ATOM 678 OG1 THR A 40 5.481 6.591 2.089 1.00 0.00 O ATOM 679 CG2 THR A 40 5.970 4.659 0.864 1.00 0.00 C ATOM 0 H THR A 40 3.767 5.731 4.013 1.00 0.00 H new ATOM 0 HA THR A 40 3.322 5.255 1.169 1.00 0.00 H new ATOM 0 HB THR A 40 5.606 4.727 3.004 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.182 6.979 2.938 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.025 4.928 0.921 1.00 0.00 H new ATOM 0 HG22 THR A 40 5.874 3.574 0.831 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.534 5.089 -0.038 1.00 0.00 H new ATOM 687 N CYS A 41 3.205 2.593 1.090 1.00 0.00 N ATOM 688 CA CYS A 41 3.732 1.230 1.179 1.00 0.00 C ATOM 689 C CYS A 41 4.471 0.846 -0.094 1.00 0.00 C ATOM 690 O CYS A 41 4.314 1.488 -1.128 1.00 0.00 O ATOM 691 CB CYS A 41 2.687 0.209 1.683 1.00 0.00 C ATOM 692 SG CYS A 41 1.086 0.261 0.832 1.00 0.00 S ATOM 0 H CYS A 41 2.711 2.860 0.238 1.00 0.00 H new ATOM 0 HA CYS A 41 4.488 1.205 1.964 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.103 -0.793 1.581 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.521 0.378 2.747 1.00 0.00 H new ATOM 0 HG CYS A 41 0.296 -0.639 1.338 1.00 0.00 H new ATOM 698 N TYR A 42 5.280 -0.202 0.002 1.00 0.00 N ATOM 699 CA TYR A 42 5.927 -0.873 -1.107 1.00 0.00 C ATOM 700 C TYR A 42 5.556 -2.338 -0.996 1.00 0.00 C ATOM 701 O TYR A 42 5.921 -3.019 -0.032 1.00 0.00 O ATOM 702 CB TYR A 42 7.438 -0.664 -1.078 1.00 0.00 C ATOM 703 CG TYR A 42 8.136 -1.255 -2.283 1.00 0.00 C ATOM 704 CD1 TYR A 42 7.867 -0.749 -3.570 1.00 0.00 C ATOM 705 CD2 TYR A 42 9.046 -2.312 -2.120 1.00 0.00 C ATOM 706 CE1 TYR A 42 8.511 -1.287 -4.696 1.00 0.00 C ATOM 707 CE2 TYR A 42 9.686 -2.865 -3.242 1.00 0.00 C ATOM 708 CZ TYR A 42 9.415 -2.360 -4.535 1.00 0.00 C ATOM 709 OH TYR A 42 9.990 -2.936 -5.624 1.00 0.00 O ATOM 0 H TYR A 42 5.511 -0.624 0.902 1.00 0.00 H new ATOM 0 HA TYR A 42 5.594 -0.465 -2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.651 0.404 -1.028 1.00 0.00 H new ATOM 0 HB3 TYR A 42 7.845 -1.113 -0.172 1.00 0.00 H new ATOM 0 HD1 TYR A 42 7.160 0.059 -3.692 1.00 0.00 H new ATOM 0 HD2 TYR A 42 9.254 -2.699 -1.133 1.00 0.00 H new ATOM 0 HE1 TYR A 42 8.316 -0.883 -5.678 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.386 -3.677 -3.117 1.00 0.00 H new ATOM 0 HH TYR A 42 10.586 -3.658 -5.336 1.00 0.00 H new ATOM 719 N ILE A 43 4.720 -2.776 -1.926 1.00 0.00 N ATOM 720 CA ILE A 43 4.241 -4.141 -2.040 1.00 0.00 C ATOM 721 C ILE A 43 5.419 -4.964 -2.582 1.00 0.00 C ATOM 722 O ILE A 43 6.029 -4.539 -3.560 1.00 0.00 O ATOM 723 CB ILE A 43 3.014 -4.139 -2.980 1.00 0.00 C ATOM 724 CG1 ILE A 43 1.995 -2.983 -2.758 1.00 0.00 C ATOM 725 CG2 ILE A 43 2.273 -5.484 -2.940 1.00 0.00 C ATOM 726 CD1 ILE A 43 1.388 -2.914 -1.352 1.00 0.00 C ATOM 0 H ILE A 43 4.343 -2.164 -2.650 1.00 0.00 H new ATOM 0 HA ILE A 43 3.916 -4.576 -1.095 1.00 0.00 H new ATOM 0 HB ILE A 43 3.449 -3.969 -3.965 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.491 -2.036 -2.970 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.186 -3.088 -3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.416 -5.447 -3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.947 -6.280 -3.255 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.929 -5.680 -1.924 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.692 -2.077 -1.297 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.858 -3.842 -1.139 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.183 -2.774 -0.619 1.00 0.00 H new ATOM 738 N LEU A 44 5.751 -6.113 -1.976 1.00 0.00 N ATOM 739 CA LEU A 44 6.900 -6.931 -2.397 1.00 0.00 C ATOM 740 C LEU A 44 6.498 -8.325 -2.865 1.00 0.00 C ATOM 741 O LEU A 44 7.233 -8.947 -3.622 1.00 0.00 O ATOM 742 CB LEU A 44 7.929 -7.064 -1.266 1.00 0.00 C ATOM 743 CG LEU A 44 8.650 -5.737 -0.952 1.00 0.00 C ATOM 744 CD1 LEU A 44 8.332 -5.266 0.468 1.00 0.00 C ATOM 745 CD2 LEU A 44 10.169 -5.872 -1.098 1.00 0.00 C ATOM 0 H LEU A 44 5.235 -6.500 -1.186 1.00 0.00 H new ATOM 0 HA LEU A 44 7.342 -6.405 -3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 44 7.428 -7.421 -0.366 1.00 0.00 H new ATOM 0 HB3 LEU A 44 8.668 -7.817 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 44 8.288 -5.004 -1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 44 8.852 -4.329 0.665 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.257 -5.113 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 44 8.660 -6.020 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 44 10.643 -4.917 -0.869 1.00 0.00 H new ATOM 0 HD22 LEU A 44 10.535 -6.633 -0.409 1.00 0.00 H new ATOM 0 HD23 LEU A 44 10.412 -6.162 -2.120 1.00 0.00 H new ATOM 757 N GLU A 45 5.327 -8.810 -2.465 1.00 0.00 N ATOM 758 CA GLU A 45 4.658 -9.966 -3.045 1.00 0.00 C ATOM 759 C GLU A 45 3.165 -9.778 -2.768 1.00 0.00 C ATOM 760 O GLU A 45 2.824 -9.010 -1.864 1.00 0.00 O ATOM 761 CB GLU A 45 5.228 -11.277 -2.470 1.00 0.00 C ATOM 762 CG GLU A 45 5.034 -11.441 -0.952 1.00 0.00 C ATOM 763 CD GLU A 45 5.735 -12.684 -0.386 1.00 0.00 C ATOM 764 OE1 GLU A 45 6.944 -12.890 -0.648 1.00 0.00 O ATOM 765 OE2 GLU A 45 5.104 -13.452 0.375 1.00 0.00 O ATOM 0 H GLU A 45 4.799 -8.392 -1.699 1.00 0.00 H new ATOM 0 HA GLU A 45 4.823 -10.040 -4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.756 -12.118 -2.978 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.293 -11.326 -2.696 1.00 0.00 H new ATOM 0 HG2 GLU A 45 5.415 -10.554 -0.445 1.00 0.00 H new ATOM 0 HG3 GLU A 45 3.968 -11.501 -0.732 1.00 0.00 H new ATOM 772 N GLY A 46 2.288 -10.464 -3.507 1.00 0.00 N ATOM 773 CA GLY A 46 0.841 -10.460 -3.279 1.00 0.00 C ATOM 774 C GLY A 46 0.078 -9.558 -4.231 1.00 0.00 C ATOM 775 O GLY A 46 0.650 -9.004 -5.169 1.00 0.00 O ATOM 0 H GLY A 46 2.570 -11.048 -4.294 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.464 -11.478 -3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.644 -10.143 -2.255 1.00 0.00 H new ATOM 779 N LYS A 47 -1.233 -9.410 -4.001 1.00 0.00 N ATOM 780 CA LYS A 47 -2.058 -8.467 -4.752 1.00 0.00 C ATOM 781 C LYS A 47 -3.123 -7.890 -3.849 1.00 0.00 C ATOM 782 O LYS A 47 -3.787 -8.611 -3.102 1.00 0.00 O ATOM 783 CB LYS A 47 -2.723 -9.152 -5.960 1.00 0.00 C ATOM 784 CG LYS A 47 -2.477 -8.369 -7.258 1.00 0.00 C ATOM 785 CD LYS A 47 -3.223 -7.049 -7.508 1.00 0.00 C ATOM 786 CE LYS A 47 -4.738 -7.153 -7.779 1.00 0.00 C ATOM 787 NZ LYS A 47 -5.536 -7.241 -6.564 1.00 0.00 N ATOM 0 H LYS A 47 -1.744 -9.938 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.414 -7.669 -5.121 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.333 -10.164 -6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.795 -9.240 -5.785 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.410 -8.154 -7.310 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -2.709 -9.036 -8.089 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.075 -6.405 -6.641 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.758 -6.551 -8.359 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.058 -6.283 -8.353 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.930 -8.031 -8.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.510 -6.939 -6.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -5.542 -8.223 -6.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.126 -6.624 -5.834 1.00 0.00 H new ATOM 801 N VAL A 48 -3.398 -6.607 -4.035 1.00 0.00 N ATOM 802 CA VAL A 48 -4.444 -5.901 -3.301 1.00 0.00 C ATOM 803 C VAL A 48 -5.329 -5.218 -4.333 1.00 0.00 C ATOM 804 O VAL A 48 -4.833 -4.755 -5.365 1.00 0.00 O ATOM 805 CB VAL A 48 -3.852 -4.909 -2.273 1.00 0.00 C ATOM 806 CG1 VAL A 48 -4.881 -4.481 -1.220 1.00 0.00 C ATOM 807 CG2 VAL A 48 -2.627 -5.470 -1.536 1.00 0.00 C ATOM 0 H VAL A 48 -2.899 -6.020 -4.704 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.038 -6.597 -2.709 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.548 -4.047 -2.867 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.418 -3.785 -0.521 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.724 -3.995 -1.711 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.234 -5.359 -0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.257 -4.728 -0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.909 -6.375 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.845 -5.705 -2.257 1.00 0.00 H new ATOM 817 N GLU A 49 -6.645 -5.287 -4.167 1.00 0.00 N ATOM 818 CA GLU A 49 -7.558 -4.328 -4.771 1.00 0.00 C ATOM 819 C GLU A 49 -7.887 -3.350 -3.650 1.00 0.00 C ATOM 820 O GLU A 49 -8.201 -3.772 -2.539 1.00 0.00 O ATOM 821 CB GLU A 49 -8.836 -4.996 -5.327 1.00 0.00 C ATOM 822 CG GLU A 49 -8.877 -4.954 -6.861 1.00 0.00 C ATOM 823 CD GLU A 49 -10.246 -5.324 -7.473 1.00 0.00 C ATOM 824 OE1 GLU A 49 -11.182 -5.778 -6.770 1.00 0.00 O ATOM 825 OE2 GLU A 49 -10.376 -5.185 -8.712 1.00 0.00 O ATOM 0 H GLU A 49 -7.106 -6.007 -3.612 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.105 -3.838 -5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.881 -6.032 -4.990 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.715 -4.491 -4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.603 -3.952 -7.192 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.122 -5.636 -7.251 1.00 0.00 H new ATOM 832 N VAL A 50 -7.803 -2.055 -3.908 1.00 0.00 N ATOM 833 CA VAL A 50 -8.257 -1.032 -2.972 1.00 0.00 C ATOM 834 C VAL A 50 -9.438 -0.359 -3.663 1.00 0.00 C ATOM 835 O VAL A 50 -9.401 -0.171 -4.877 1.00 0.00 O ATOM 836 CB VAL A 50 -7.083 -0.096 -2.608 1.00 0.00 C ATOM 837 CG1 VAL A 50 -7.492 1.036 -1.661 1.00 0.00 C ATOM 838 CG2 VAL A 50 -5.925 -0.888 -1.974 1.00 0.00 C ATOM 0 H VAL A 50 -7.417 -1.680 -4.774 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.589 -1.420 -2.009 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.759 0.354 -3.546 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.625 1.659 -1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -8.265 1.643 -2.132 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.878 0.613 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.111 -0.207 -1.727 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.275 -1.380 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.568 -1.639 -2.679 1.00 0.00 H new ATOM 848 N THR A 51 -10.493 -0.017 -2.927 1.00 0.00 N ATOM 849 CA THR A 51 -11.704 0.544 -3.519 1.00 0.00 C ATOM 850 C THR A 51 -12.144 1.695 -2.632 1.00 0.00 C ATOM 851 O THR A 51 -12.551 1.480 -1.485 1.00 0.00 O ATOM 852 CB THR A 51 -12.784 -0.536 -3.697 1.00 0.00 C ATOM 853 OG1 THR A 51 -12.250 -1.656 -4.370 1.00 0.00 O ATOM 854 CG2 THR A 51 -13.972 -0.018 -4.517 1.00 0.00 C ATOM 0 H THR A 51 -10.533 -0.120 -1.913 1.00 0.00 H new ATOM 0 HA THR A 51 -11.517 0.922 -4.524 1.00 0.00 H new ATOM 0 HB THR A 51 -13.125 -0.811 -2.699 1.00 0.00 H new ATOM 0 HG1 THR A 51 -12.947 -2.337 -4.476 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.714 -0.809 -4.622 1.00 0.00 H new ATOM 0 HG22 THR A 51 -14.420 0.836 -4.009 1.00 0.00 H new ATOM 0 HG23 THR A 51 -13.627 0.288 -5.504 1.00 0.00 H new ATOM 862 N THR A 52 -11.990 2.931 -3.099 1.00 0.00 N ATOM 863 CA THR A 52 -12.366 4.099 -2.315 1.00 0.00 C ATOM 864 C THR A 52 -13.892 4.275 -2.357 1.00 0.00 C ATOM 865 O THR A 52 -14.611 3.459 -2.944 1.00 0.00 O ATOM 866 CB THR A 52 -11.529 5.314 -2.744 1.00 0.00 C ATOM 867 OG1 THR A 52 -11.839 5.683 -4.067 1.00 0.00 O ATOM 868 CG2 THR A 52 -10.020 5.046 -2.636 1.00 0.00 C ATOM 0 H THR A 52 -11.606 3.148 -4.019 1.00 0.00 H new ATOM 0 HA THR A 52 -12.128 3.970 -1.259 1.00 0.00 H new ATOM 0 HB THR A 52 -11.780 6.126 -2.062 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.299 6.459 -4.325 1.00 0.00 H new ATOM 0 HG21 THR A 52 -9.470 5.933 -2.950 1.00 0.00 H new ATOM 0 HG22 THR A 52 -9.766 4.808 -1.603 1.00 0.00 H new ATOM 0 HG23 THR A 52 -9.753 4.207 -3.278 1.00 0.00 H new ATOM 876 N GLU A 53 -14.429 5.264 -1.648 1.00 0.00 N ATOM 877 CA GLU A 53 -15.874 5.444 -1.520 1.00 0.00 C ATOM 878 C GLU A 53 -16.476 5.962 -2.828 1.00 0.00 C ATOM 879 O GLU A 53 -17.625 5.655 -3.148 1.00 0.00 O ATOM 880 CB GLU A 53 -16.110 6.382 -0.342 1.00 0.00 C ATOM 881 CG GLU A 53 -17.574 6.513 0.088 1.00 0.00 C ATOM 882 CD GLU A 53 -17.691 7.275 1.412 1.00 0.00 C ATOM 883 OE1 GLU A 53 -16.787 7.142 2.275 1.00 0.00 O ATOM 884 OE2 GLU A 53 -18.689 8.004 1.609 1.00 0.00 O ATOM 0 H GLU A 53 -13.878 5.961 -1.147 1.00 0.00 H new ATOM 0 HA GLU A 53 -16.376 4.496 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -15.526 6.030 0.508 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -15.732 7.371 -0.601 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -18.139 7.033 -0.686 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -18.016 5.522 0.194 1.00 0.00 H new ATOM 891 N ASP A 54 -15.664 6.650 -3.636 1.00 0.00 N ATOM 892 CA ASP A 54 -15.999 7.026 -5.007 1.00 0.00 C ATOM 893 C ASP A 54 -16.295 5.803 -5.881 1.00 0.00 C ATOM 894 O ASP A 54 -17.068 5.874 -6.837 1.00 0.00 O ATOM 895 CB ASP A 54 -14.825 7.789 -5.624 1.00 0.00 C ATOM 896 CG ASP A 54 -15.274 8.463 -6.917 1.00 0.00 C ATOM 897 OD1 ASP A 54 -16.021 9.459 -6.773 1.00 0.00 O ATOM 898 OD2 ASP A 54 -14.862 8.016 -8.013 1.00 0.00 O ATOM 0 H ASP A 54 -14.738 6.966 -3.347 1.00 0.00 H new ATOM 0 HA ASP A 54 -16.894 7.647 -4.968 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.455 8.536 -4.922 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.000 7.106 -5.826 1.00 0.00 H new ATOM 903 N GLY A 55 -15.698 4.660 -5.540 1.00 0.00 N ATOM 904 CA GLY A 55 -15.830 3.431 -6.299 1.00 0.00 C ATOM 905 C GLY A 55 -14.790 3.288 -7.402 1.00 0.00 C ATOM 906 O GLY A 55 -14.888 2.343 -8.188 1.00 0.00 O ATOM 0 H GLY A 55 -15.103 4.568 -4.717 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.748 2.582 -5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -16.826 3.390 -6.741 1.00 0.00 H new ATOM 910 N LYS A 56 -13.790 4.179 -7.438 1.00 0.00 N ATOM 911 CA LYS A 56 -12.514 3.892 -8.073 1.00 0.00 C ATOM 912 C LYS A 56 -12.010 2.582 -7.486 1.00 0.00 C ATOM 913 O LYS A 56 -11.795 2.497 -6.271 1.00 0.00 O ATOM 914 CB LYS A 56 -11.488 5.003 -7.788 1.00 0.00 C ATOM 915 CG LYS A 56 -11.598 6.266 -8.642 1.00 0.00 C ATOM 916 CD LYS A 56 -11.131 6.023 -10.083 1.00 0.00 C ATOM 917 CE LYS A 56 -11.290 7.272 -10.961 1.00 0.00 C ATOM 918 NZ LYS A 56 -10.330 8.342 -10.623 1.00 0.00 N ATOM 0 H LYS A 56 -13.850 5.111 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 56 -12.643 3.829 -9.154 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.578 5.290 -6.740 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -10.489 4.587 -7.920 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.632 6.611 -8.649 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.000 7.060 -8.195 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.085 5.715 -10.077 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.703 5.202 -10.515 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -11.161 6.993 -12.007 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -12.305 7.656 -10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.486 9.158 -11.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.468 8.632 -9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.359 7.990 -10.748 1.00 0.00 H new ATOM 932 N LYS A 57 -11.851 1.566 -8.326 1.00 0.00 N ATOM 933 CA LYS A 57 -10.981 0.449 -8.013 1.00 0.00 C ATOM 934 C LYS A 57 -9.555 0.931 -8.178 1.00 0.00 C ATOM 935 O LYS A 57 -9.256 1.770 -9.029 1.00 0.00 O ATOM 936 CB LYS A 57 -11.217 -0.723 -8.976 1.00 0.00 C ATOM 937 CG LYS A 57 -12.323 -1.657 -8.493 1.00 0.00 C ATOM 938 CD LYS A 57 -13.752 -1.148 -8.754 1.00 0.00 C ATOM 939 CE LYS A 57 -14.715 -2.327 -8.569 1.00 0.00 C ATOM 940 NZ LYS A 57 -16.128 -1.998 -8.861 1.00 0.00 N ATOM 0 H LYS A 57 -12.317 1.497 -9.231 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.181 0.103 -6.999 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.477 -0.334 -9.961 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.292 -1.288 -9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.202 -2.625 -8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.200 -1.821 -7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.001 -0.341 -8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -13.834 -0.743 -9.763 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -14.401 -3.145 -9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -14.640 -2.687 -7.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -16.718 -2.842 -8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -16.446 -1.238 -8.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.214 -1.682 -9.848 1.00 0.00 H new ATOM 954 N TYR A 58 -8.650 0.300 -7.453 1.00 0.00 N ATOM 955 CA TYR A 58 -7.223 0.447 -7.588 1.00 0.00 C ATOM 956 C TYR A 58 -6.637 -0.953 -7.504 1.00 0.00 C ATOM 957 O TYR A 58 -7.167 -1.811 -6.797 1.00 0.00 O ATOM 958 CB TYR A 58 -6.639 1.308 -6.461 1.00 0.00 C ATOM 959 CG TYR A 58 -7.151 2.730 -6.316 1.00 0.00 C ATOM 960 CD1 TYR A 58 -8.467 2.980 -5.894 1.00 0.00 C ATOM 961 CD2 TYR A 58 -6.275 3.813 -6.506 1.00 0.00 C ATOM 962 CE1 TYR A 58 -8.920 4.296 -5.731 1.00 0.00 C ATOM 963 CE2 TYR A 58 -6.689 5.130 -6.237 1.00 0.00 C ATOM 964 CZ TYR A 58 -8.034 5.379 -5.881 1.00 0.00 C ATOM 965 OH TYR A 58 -8.491 6.639 -5.650 1.00 0.00 O ATOM 0 H TYR A 58 -8.909 -0.360 -6.720 1.00 0.00 H new ATOM 0 HA TYR A 58 -6.984 0.939 -8.531 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.817 0.791 -5.518 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -5.559 1.354 -6.600 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -9.133 2.154 -5.694 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -5.272 3.632 -6.863 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -9.956 4.480 -5.489 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -5.984 5.946 -6.302 1.00 0.00 H new ATOM 0 HH TYR A 58 -7.765 7.282 -5.792 1.00 0.00 H new ATOM 975 N VAL A 59 -5.511 -1.160 -8.166 1.00 0.00 N ATOM 976 CA VAL A 59 -4.733 -2.388 -8.182 1.00 0.00 C ATOM 977 C VAL A 59 -3.317 -1.956 -7.803 1.00 0.00 C ATOM 978 O VAL A 59 -2.882 -0.881 -8.227 1.00 0.00 O ATOM 979 CB VAL A 59 -4.832 -2.998 -9.590 1.00 0.00 C ATOM 980 CG1 VAL A 59 -3.868 -4.171 -9.743 1.00 0.00 C ATOM 981 CG2 VAL A 59 -6.264 -3.496 -9.845 1.00 0.00 C ATOM 0 H VAL A 59 -5.090 -0.431 -8.742 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.077 -3.157 -7.491 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.570 -2.224 -10.312 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -3.956 -4.586 -10.747 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.847 -3.826 -9.581 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.111 -4.940 -9.010 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.327 -3.927 -10.844 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.523 -4.254 -9.106 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.959 -2.660 -9.766 1.00 0.00 H new ATOM 991 N ILE A 60 -2.632 -2.768 -7.006 1.00 0.00 N ATOM 992 CA ILE A 60 -1.211 -2.625 -6.702 1.00 0.00 C ATOM 993 C ILE A 60 -0.579 -4.018 -6.799 1.00 0.00 C ATOM 994 O ILE A 60 -1.059 -4.946 -6.134 1.00 0.00 O ATOM 995 CB ILE A 60 -0.985 -1.919 -5.336 1.00 0.00 C ATOM 996 CG1 ILE A 60 -1.792 -2.527 -4.165 1.00 0.00 C ATOM 997 CG2 ILE A 60 -1.254 -0.415 -5.465 1.00 0.00 C ATOM 998 CD1 ILE A 60 -1.768 -1.698 -2.872 1.00 0.00 C ATOM 0 H ILE A 60 -3.061 -3.567 -6.540 1.00 0.00 H new ATOM 0 HA ILE A 60 -0.719 -1.971 -7.422 1.00 0.00 H new ATOM 0 HB ILE A 60 0.062 -2.085 -5.080 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.828 -2.652 -4.481 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.402 -3.522 -3.950 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.092 0.068 -4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.577 0.014 -6.204 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.285 -0.256 -5.782 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -2.360 -2.200 -2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.740 -1.594 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.188 -0.711 -3.065 1.00 0.00 H new ATOM 1010 N GLU A 61 0.411 -4.173 -7.683 1.00 0.00 N ATOM 1011 CA GLU A 61 1.270 -5.349 -7.771 1.00 0.00 C ATOM 1012 C GLU A 61 2.418 -5.210 -6.771 1.00 0.00 C ATOM 1013 O GLU A 61 2.592 -4.168 -6.137 1.00 0.00 O ATOM 1014 CB GLU A 61 1.809 -5.575 -9.208 1.00 0.00 C ATOM 1015 CG GLU A 61 2.935 -4.624 -9.681 1.00 0.00 C ATOM 1016 CD GLU A 61 4.157 -5.342 -10.273 1.00 0.00 C ATOM 1017 OE1 GLU A 61 4.052 -5.935 -11.373 1.00 0.00 O ATOM 1018 OE2 GLU A 61 5.264 -5.263 -9.691 1.00 0.00 O ATOM 0 H GLU A 61 0.640 -3.460 -8.376 1.00 0.00 H new ATOM 0 HA GLU A 61 0.674 -6.227 -7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.176 -6.599 -9.278 1.00 0.00 H new ATOM 0 HB3 GLU A 61 0.974 -5.487 -9.903 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.530 -3.943 -10.429 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.259 -4.014 -8.837 1.00 0.00 H new ATOM 1025 N LYS A 62 3.224 -6.264 -6.678 1.00 0.00 N ATOM 1026 CA LYS A 62 4.457 -6.456 -5.909 1.00 0.00 C ATOM 1027 C LYS A 62 5.629 -5.544 -6.323 1.00 0.00 C ATOM 1028 O LYS A 62 6.779 -5.985 -6.435 1.00 0.00 O ATOM 1029 CB LYS A 62 4.781 -7.954 -6.004 1.00 0.00 C ATOM 1030 CG LYS A 62 5.138 -8.421 -7.421 1.00 0.00 C ATOM 1031 CD LYS A 62 5.037 -9.938 -7.577 1.00 0.00 C ATOM 1032 CE LYS A 62 5.533 -10.349 -8.968 1.00 0.00 C ATOM 1033 NZ LYS A 62 6.953 -9.991 -9.182 1.00 0.00 N ATOM 0 H LYS A 62 3.003 -7.110 -7.204 1.00 0.00 H new ATOM 0 HA LYS A 62 4.300 -6.150 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.613 -8.179 -5.337 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.923 -8.525 -5.648 1.00 0.00 H new ATOM 0 HG2 LYS A 62 4.473 -7.940 -8.138 1.00 0.00 H new ATOM 0 HG3 LYS A 62 6.152 -8.100 -7.662 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.630 -10.433 -6.808 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.005 -10.259 -7.439 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.408 -11.425 -9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.919 -9.866 -9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.342 -10.563 -9.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.024 -8.982 -9.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.493 -10.176 -8.312 1.00 0.00 H new ATOM 1047 N GLY A 63 5.349 -4.273 -6.555 1.00 0.00 N ATOM 1048 CA GLY A 63 6.302 -3.284 -7.030 1.00 0.00 C ATOM 1049 C GLY A 63 5.683 -1.900 -7.190 1.00 0.00 C ATOM 1050 O GLY A 63 6.394 -0.965 -7.561 1.00 0.00 O ATOM 0 H GLY A 63 4.416 -3.887 -6.412 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.137 -3.226 -6.332 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.709 -3.608 -7.988 1.00 0.00 H new ATOM 1054 N ASP A 64 4.387 -1.742 -6.906 1.00 0.00 N ATOM 1055 CA ASP A 64 3.768 -0.443 -6.745 1.00 0.00 C ATOM 1056 C ASP A 64 4.294 0.065 -5.405 1.00 0.00 C ATOM 1057 O ASP A 64 4.011 -0.527 -4.355 1.00 0.00 O ATOM 1058 CB ASP A 64 2.230 -0.576 -6.710 1.00 0.00 C ATOM 1059 CG ASP A 64 1.556 -0.815 -8.071 1.00 0.00 C ATOM 1060 OD1 ASP A 64 1.730 -1.893 -8.672 1.00 0.00 O ATOM 1061 OD2 ASP A 64 0.810 0.054 -8.574 1.00 0.00 O ATOM 0 H ASP A 64 3.742 -2.523 -6.783 1.00 0.00 H new ATOM 0 HA ASP A 64 4.001 0.234 -7.567 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.969 -1.399 -6.045 1.00 0.00 H new ATOM 0 HB3 ASP A 64 1.814 0.331 -6.272 1.00 0.00 H new ATOM 1066 N LEU A 65 5.087 1.136 -5.422 1.00 0.00 N ATOM 1067 CA LEU A 65 5.135 2.017 -4.272 1.00 0.00 C ATOM 1068 C LEU A 65 3.830 2.813 -4.301 1.00 0.00 C ATOM 1069 O LEU A 65 3.136 2.913 -5.312 1.00 0.00 O ATOM 1070 CB LEU A 65 6.384 2.901 -4.352 1.00 0.00 C ATOM 1071 CG LEU A 65 6.612 3.889 -3.182 1.00 0.00 C ATOM 1072 CD1 LEU A 65 7.481 3.284 -2.081 1.00 0.00 C ATOM 1073 CD2 LEU A 65 7.245 5.184 -3.677 1.00 0.00 C ATOM 0 H LEU A 65 5.688 1.404 -6.201 1.00 0.00 H new ATOM 0 HA LEU A 65 5.213 1.481 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.257 2.252 -4.424 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.336 3.475 -5.278 1.00 0.00 H new ATOM 0 HG LEU A 65 5.631 4.105 -2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.614 4.012 -1.281 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.996 2.393 -1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 65 8.454 3.015 -2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.395 5.861 -2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.206 4.965 -4.142 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.587 5.654 -4.408 1.00 0.00 H new ATOM 1085 N VAL A 66 3.468 3.382 -3.175 1.00 0.00 N ATOM 1086 CA VAL A 66 2.252 4.097 -2.923 1.00 0.00 C ATOM 1087 C VAL A 66 2.423 4.978 -1.723 1.00 0.00 C ATOM 1088 O VAL A 66 3.170 4.605 -0.833 1.00 0.00 O ATOM 1089 CB VAL A 66 1.125 3.063 -2.861 1.00 0.00 C ATOM 1090 CG1 VAL A 66 1.415 1.760 -2.152 1.00 0.00 C ATOM 1091 CG2 VAL A 66 -0.188 3.675 -2.410 1.00 0.00 C ATOM 0 H VAL A 66 4.068 3.351 -2.351 1.00 0.00 H new ATOM 0 HA VAL A 66 1.982 4.795 -3.715 1.00 0.00 H new ATOM 0 HB VAL A 66 1.035 2.752 -3.902 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.531 1.124 -2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.244 1.254 -2.646 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.679 1.962 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.958 2.904 -2.381 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.067 4.104 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.484 4.457 -3.109 1.00 0.00 H new ATOM 1101 N THR A 67 1.712 6.098 -1.723 1.00 0.00 N ATOM 1102 CA THR A 67 1.597 7.040 -0.638 1.00 0.00 C ATOM 1103 C THR A 67 0.115 7.394 -0.585 1.00 0.00 C ATOM 1104 O THR A 67 -0.386 8.187 -1.392 1.00 0.00 O ATOM 1105 CB THR A 67 2.541 8.227 -0.874 1.00 0.00 C ATOM 1106 OG1 THR A 67 3.863 7.742 -1.010 1.00 0.00 O ATOM 1107 CG2 THR A 67 2.495 9.218 0.290 1.00 0.00 C ATOM 0 H THR A 67 1.168 6.383 -2.538 1.00 0.00 H new ATOM 0 HA THR A 67 1.905 6.648 0.331 1.00 0.00 H new ATOM 0 HB THR A 67 2.221 8.744 -1.779 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.473 8.494 -1.163 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.175 10.046 0.090 1.00 0.00 H new ATOM 0 HG22 THR A 67 1.481 9.601 0.402 1.00 0.00 H new ATOM 0 HG23 THR A 67 2.796 8.715 1.209 1.00 0.00 H new ATOM 1115 N PHE A 68 -0.600 6.726 0.316 1.00 0.00 N ATOM 1116 CA PHE A 68 -1.918 7.147 0.750 1.00 0.00 C ATOM 1117 C PHE A 68 -1.731 8.408 1.600 1.00 0.00 C ATOM 1118 O PHE A 68 -0.697 8.546 2.268 1.00 0.00 O ATOM 1119 CB PHE A 68 -2.581 6.026 1.549 1.00 0.00 C ATOM 1120 CG PHE A 68 -2.845 4.770 0.739 1.00 0.00 C ATOM 1121 CD1 PHE A 68 -1.833 3.803 0.570 1.00 0.00 C ATOM 1122 CD2 PHE A 68 -4.093 4.585 0.118 1.00 0.00 C ATOM 1123 CE1 PHE A 68 -2.047 2.689 -0.263 1.00 0.00 C ATOM 1124 CE2 PHE A 68 -4.322 3.451 -0.678 1.00 0.00 C ATOM 1125 CZ PHE A 68 -3.299 2.507 -0.878 1.00 0.00 C ATOM 0 H PHE A 68 -0.273 5.871 0.766 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.568 7.366 -0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.946 5.773 2.398 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -3.525 6.391 1.955 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.889 3.918 1.082 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.876 5.316 0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.253 1.976 -0.429 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.288 3.303 -1.138 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.474 1.644 -1.503 1.00 0.00 H new ATOM 1135 N PRO A 69 -2.677 9.356 1.551 1.00 0.00 N ATOM 1136 CA PRO A 69 -2.516 10.623 2.223 1.00 0.00 C ATOM 1137 C PRO A 69 -2.975 10.528 3.673 1.00 0.00 C ATOM 1138 O PRO A 69 -3.629 9.582 4.104 1.00 0.00 O ATOM 1139 CB PRO A 69 -3.420 11.582 1.456 1.00 0.00 C ATOM 1140 CG PRO A 69 -4.618 10.678 1.216 1.00 0.00 C ATOM 1141 CD PRO A 69 -3.964 9.335 0.868 1.00 0.00 C ATOM 0 HA PRO A 69 -1.475 10.945 2.241 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -3.676 12.468 2.037 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -2.967 11.929 0.527 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -5.252 10.603 2.100 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -5.246 11.045 0.404 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -4.576 8.498 1.205 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -3.838 9.224 -0.209 1.00 0.00 H new ATOM 1149 N LYS A 70 -2.743 11.629 4.366 1.00 0.00 N ATOM 1150 CA LYS A 70 -3.333 11.936 5.654 1.00 0.00 C ATOM 1151 C LYS A 70 -4.805 12.240 5.404 1.00 0.00 C ATOM 1152 O LYS A 70 -5.112 13.353 4.964 1.00 0.00 O ATOM 1153 CB LYS A 70 -2.525 13.086 6.277 1.00 0.00 C ATOM 1154 CG LYS A 70 -2.982 13.495 7.685 1.00 0.00 C ATOM 1155 CD LYS A 70 -1.891 14.335 8.347 1.00 0.00 C ATOM 1156 CE LYS A 70 -2.191 14.553 9.831 1.00 0.00 C ATOM 1157 NZ LYS A 70 -2.901 15.813 10.105 1.00 0.00 N ATOM 0 H LYS A 70 -2.115 12.360 4.033 1.00 0.00 H new ATOM 0 HA LYS A 70 -3.296 11.118 6.374 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.476 12.795 6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.588 13.955 5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.910 14.064 7.627 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -3.188 12.608 8.285 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -0.927 13.838 8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -1.813 15.298 7.843 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -2.790 13.720 10.199 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -1.254 14.544 10.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -3.073 15.899 11.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -2.322 16.615 9.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -3.810 15.816 9.599 1.00 0.00 H new ATOM 1171 N GLY A 71 -5.665 11.242 5.595 1.00 0.00 N ATOM 1172 CA GLY A 71 -7.110 11.315 5.465 1.00 0.00 C ATOM 1173 C GLY A 71 -7.585 10.702 4.149 1.00 0.00 C ATOM 1174 O GLY A 71 -7.701 11.405 3.141 1.00 0.00 O ATOM 0 H GLY A 71 -5.349 10.309 5.860 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.578 10.794 6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -7.429 12.356 5.519 1.00 0.00 H new ATOM 1178 N LEU A 72 -7.846 9.391 4.159 1.00 0.00 N ATOM 1179 CA LEU A 72 -8.547 8.627 3.125 1.00 0.00 C ATOM 1180 C LEU A 72 -9.285 7.476 3.813 1.00 0.00 C ATOM 1181 O LEU A 72 -8.724 6.853 4.703 1.00 0.00 O ATOM 1182 CB LEU A 72 -7.531 8.165 2.071 1.00 0.00 C ATOM 1183 CG LEU A 72 -8.194 7.406 0.911 1.00 0.00 C ATOM 1184 CD1 LEU A 72 -7.493 7.706 -0.415 1.00 0.00 C ATOM 1185 CD2 LEU A 72 -8.166 5.909 1.118 1.00 0.00 C ATOM 0 H LEU A 72 -7.555 8.800 4.938 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.289 9.226 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.000 9.032 1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.788 7.523 2.544 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.229 7.748 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.983 7.156 -1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.547 8.775 -0.622 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.448 7.402 -0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -8.646 5.416 0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.132 5.572 1.196 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.700 5.658 2.035 1.00 0.00 H new ATOM 1197 N ARG A 73 -10.519 7.153 3.411 1.00 0.00 N ATOM 1198 CA ARG A 73 -11.327 6.067 3.984 1.00 0.00 C ATOM 1199 C ARG A 73 -11.774 5.155 2.845 1.00 0.00 C ATOM 1200 O ARG A 73 -12.598 5.582 2.027 1.00 0.00 O ATOM 1201 CB ARG A 73 -12.510 6.658 4.776 1.00 0.00 C ATOM 1202 CG ARG A 73 -13.407 5.583 5.408 1.00 0.00 C ATOM 1203 CD ARG A 73 -14.629 6.167 6.137 1.00 0.00 C ATOM 1204 NE ARG A 73 -15.764 6.445 5.234 1.00 0.00 N ATOM 1205 CZ ARG A 73 -17.051 6.514 5.597 1.00 0.00 C ATOM 1206 NH1 ARG A 73 -17.417 6.432 6.867 1.00 0.00 N ATOM 1207 NH2 ARG A 73 -17.988 6.655 4.670 1.00 0.00 N ATOM 0 H ARG A 73 -10.997 7.651 2.660 1.00 0.00 H new ATOM 0 HA ARG A 73 -10.748 5.472 4.690 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -12.125 7.309 5.561 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -13.110 7.280 4.112 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -13.748 4.900 4.630 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -12.818 4.995 6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -14.950 5.470 6.911 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -14.338 7.089 6.640 1.00 0.00 H new ATOM 0 HE ARG A 73 -15.549 6.598 4.249 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -16.712 6.314 7.594 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -18.404 6.487 7.118 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -17.727 6.710 3.685 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -18.970 6.708 4.941 1.00 0.00 H new ATOM 1221 N CYS A 74 -11.215 3.945 2.752 1.00 0.00 N ATOM 1222 CA CYS A 74 -11.478 3.017 1.653 1.00 0.00 C ATOM 1223 C CYS A 74 -11.471 1.548 2.065 1.00 0.00 C ATOM 1224 O CYS A 74 -10.993 1.203 3.139 1.00 0.00 O ATOM 1225 CB CYS A 74 -10.409 3.226 0.590 1.00 0.00 C ATOM 1226 SG CYS A 74 -8.768 2.704 1.179 1.00 0.00 S ATOM 0 H CYS A 74 -10.561 3.581 3.445 1.00 0.00 H new ATOM 0 HA CYS A 74 -12.482 3.233 1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.671 2.663 -0.306 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -10.377 4.278 0.307 1.00 0.00 H new ATOM 0 HG CYS A 74 -7.860 3.089 0.332 1.00 0.00 H new ATOM 1232 N ARG A 75 -11.928 0.669 1.168 1.00 0.00 N ATOM 1233 CA ARG A 75 -11.804 -0.775 1.322 1.00 0.00 C ATOM 1234 C ARG A 75 -10.451 -1.277 0.861 1.00 0.00 C ATOM 1235 O ARG A 75 -9.777 -0.618 0.071 1.00 0.00 O ATOM 1236 CB ARG A 75 -12.894 -1.511 0.541 1.00 0.00 C ATOM 1237 CG ARG A 75 -13.907 -2.169 1.496 1.00 0.00 C ATOM 1238 CD ARG A 75 -15.284 -1.562 1.313 1.00 0.00 C ATOM 1239 NE ARG A 75 -15.350 -0.101 1.527 1.00 0.00 N ATOM 1240 CZ ARG A 75 -16.206 0.566 2.313 1.00 0.00 C ATOM 1241 NH1 ARG A 75 -16.932 -0.061 3.229 1.00 0.00 N ATOM 1242 NH2 ARG A 75 -16.326 1.880 2.155 1.00 0.00 N ATOM 0 H ARG A 75 -12.399 0.948 0.307 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.914 -0.981 2.387 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -13.410 -0.812 -0.117 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -12.441 -2.272 -0.095 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.949 -3.242 1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.580 -2.039 2.528 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.632 -1.784 0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.975 -2.048 2.002 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.668 0.462 1.020 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -16.845 -1.071 3.346 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.578 0.466 3.817 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.772 2.361 1.446 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.972 2.407 2.743 1.00 0.00 H new ATOM 1256 N TRP A 76 -10.133 -2.484 1.307 1.00 0.00 N ATOM 1257 CA TRP A 76 -8.851 -3.161 1.165 1.00 0.00 C ATOM 1258 C TRP A 76 -9.094 -4.662 0.974 1.00 0.00 C ATOM 1259 O TRP A 76 -9.329 -5.406 1.927 1.00 0.00 O ATOM 1260 CB TRP A 76 -7.930 -2.859 2.362 1.00 0.00 C ATOM 1261 CG TRP A 76 -6.813 -1.915 2.035 1.00 0.00 C ATOM 1262 CD1 TRP A 76 -6.952 -0.607 1.726 1.00 0.00 C ATOM 1263 CD2 TRP A 76 -5.381 -2.196 1.938 1.00 0.00 C ATOM 1264 NE1 TRP A 76 -5.722 -0.083 1.390 1.00 0.00 N ATOM 1265 CE2 TRP A 76 -4.720 -1.023 1.476 1.00 0.00 C ATOM 1266 CE3 TRP A 76 -4.569 -3.320 2.188 1.00 0.00 C ATOM 1267 CZ2 TRP A 76 -3.337 -0.979 1.231 1.00 0.00 C ATOM 1268 CZ3 TRP A 76 -3.176 -3.282 1.980 1.00 0.00 C ATOM 1269 CH2 TRP A 76 -2.559 -2.120 1.485 1.00 0.00 C ATOM 0 H TRP A 76 -10.810 -3.055 1.812 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.333 -2.786 0.283 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -8.526 -2.437 3.171 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -7.508 -3.794 2.731 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -7.882 -0.058 1.740 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -5.572 0.886 1.111 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -5.025 -4.231 2.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -2.878 -0.078 0.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -2.577 -4.153 2.203 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.495 -2.105 1.301 1.00 0.00 H new ATOM 1280 N LYS A 77 -9.072 -5.103 -0.279 1.00 0.00 N ATOM 1281 CA LYS A 77 -9.334 -6.463 -0.721 1.00 0.00 C ATOM 1282 C LYS A 77 -7.983 -7.142 -0.939 1.00 0.00 C ATOM 1283 O LYS A 77 -7.169 -6.633 -1.709 1.00 0.00 O ATOM 1284 CB LYS A 77 -10.142 -6.374 -2.029 1.00 0.00 C ATOM 1285 CG LYS A 77 -11.030 -7.593 -2.274 1.00 0.00 C ATOM 1286 CD LYS A 77 -12.435 -7.390 -1.706 1.00 0.00 C ATOM 1287 CE LYS A 77 -13.181 -8.708 -1.872 1.00 0.00 C ATOM 1288 NZ LYS A 77 -14.631 -8.575 -1.662 1.00 0.00 N ATOM 0 H LYS A 77 -8.858 -4.481 -1.058 1.00 0.00 H new ATOM 0 HA LYS A 77 -9.904 -7.042 0.005 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -10.764 -5.479 -2.004 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.454 -6.260 -2.866 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.094 -7.787 -3.345 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.576 -8.472 -1.817 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.388 -7.104 -0.655 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -12.951 -6.587 -2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -12.998 -9.100 -2.873 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -12.782 -9.437 -1.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.104 -9.460 -1.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.820 -8.376 -0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.996 -7.794 -2.244 1.00 0.00 H new ATOM 1302 N VAL A 78 -7.710 -8.263 -0.285 1.00 0.00 N ATOM 1303 CA VAL A 78 -6.465 -9.013 -0.405 1.00 0.00 C ATOM 1304 C VAL A 78 -6.792 -10.171 -1.329 1.00 0.00 C ATOM 1305 O VAL A 78 -7.460 -11.121 -0.925 1.00 0.00 O ATOM 1306 CB VAL A 78 -5.918 -9.505 0.957 1.00 0.00 C ATOM 1307 CG1 VAL A 78 -4.402 -9.697 0.848 1.00 0.00 C ATOM 1308 CG2 VAL A 78 -6.231 -8.561 2.132 1.00 0.00 C ATOM 0 H VAL A 78 -8.370 -8.690 0.365 1.00 0.00 H new ATOM 0 HA VAL A 78 -5.668 -8.382 -0.798 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.423 -10.446 1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.009 -10.044 1.804 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -4.183 -10.436 0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.933 -8.749 0.586 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.815 -8.974 3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.789 -7.583 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.311 -8.456 2.237 1.00 0.00 H new ATOM 1318 N LEU A 79 -6.406 -10.049 -2.597 1.00 0.00 N ATOM 1319 CA LEU A 79 -6.725 -11.102 -3.553 1.00 0.00 C ATOM 1320 C LEU A 79 -5.688 -12.212 -3.440 1.00 0.00 C ATOM 1321 O LEU A 79 -6.017 -13.366 -3.672 1.00 0.00 O ATOM 1322 CB LEU A 79 -6.814 -10.587 -4.992 1.00 0.00 C ATOM 1323 CG LEU A 79 -7.630 -9.296 -5.187 1.00 0.00 C ATOM 1324 CD1 LEU A 79 -7.928 -9.132 -6.679 1.00 0.00 C ATOM 1325 CD2 LEU A 79 -8.975 -9.241 -4.466 1.00 0.00 C ATOM 0 H LEU A 79 -5.888 -9.257 -2.977 1.00 0.00 H new ATOM 0 HA LEU A 79 -7.713 -11.490 -3.307 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.803 -10.416 -5.361 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.251 -11.369 -5.613 1.00 0.00 H new ATOM 0 HG LEU A 79 -7.011 -8.507 -4.760 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.506 -8.222 -6.837 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.991 -9.067 -7.232 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.499 -9.990 -7.032 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.461 -8.288 -4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.609 -10.056 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.816 -9.340 -3.392 1.00 0.00 H new ATOM 1337 N GLU A 80 -4.460 -11.882 -3.042 1.00 0.00 N ATOM 1338 CA GLU A 80 -3.407 -12.855 -2.792 1.00 0.00 C ATOM 1339 C GLU A 80 -2.565 -12.350 -1.627 1.00 0.00 C ATOM 1340 O GLU A 80 -2.469 -11.127 -1.457 1.00 0.00 O ATOM 1341 CB GLU A 80 -2.539 -13.027 -4.057 1.00 0.00 C ATOM 1342 CG GLU A 80 -2.922 -14.245 -4.906 1.00 0.00 C ATOM 1343 CD GLU A 80 -2.549 -15.553 -4.202 1.00 0.00 C ATOM 1344 OE1 GLU A 80 -3.355 -16.067 -3.397 1.00 0.00 O ATOM 1345 OE2 GLU A 80 -1.397 -16.006 -4.383 1.00 0.00 O ATOM 0 H GLU A 80 -4.169 -10.918 -2.883 1.00 0.00 H new ATOM 0 HA GLU A 80 -3.835 -13.826 -2.544 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.622 -12.128 -4.668 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.494 -13.116 -3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.993 -14.230 -5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.417 -14.192 -5.871 1.00 0.00 H new ATOM 1352 N PRO A 81 -1.960 -13.252 -0.832 1.00 0.00 N ATOM 1353 CA PRO A 81 -1.327 -12.894 0.420 1.00 0.00 C ATOM 1354 C PRO A 81 -0.137 -12.004 0.105 1.00 0.00 C ATOM 1355 O PRO A 81 0.601 -12.241 -0.857 1.00 0.00 O ATOM 1356 CB PRO A 81 -0.929 -14.208 1.082 1.00 0.00 C ATOM 1357 CG PRO A 81 -0.691 -15.145 -0.097 1.00 0.00 C ATOM 1358 CD PRO A 81 -1.688 -14.650 -1.142 1.00 0.00 C ATOM 0 HA PRO A 81 -1.973 -12.337 1.099 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -0.032 -14.095 1.691 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -1.715 -14.581 1.738 1.00 0.00 H new ATOM 0 HG2 PRO A 81 0.335 -15.084 -0.459 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -0.873 -16.185 0.172 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -1.278 -14.751 -2.147 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -2.605 -15.239 -1.112 1.00 0.00 H new ATOM 1366 N VAL A 82 -0.017 -10.930 0.877 1.00 0.00 N ATOM 1367 CA VAL A 82 0.724 -9.761 0.463 1.00 0.00 C ATOM 1368 C VAL A 82 1.653 -9.358 1.590 1.00 0.00 C ATOM 1369 O VAL A 82 1.205 -9.061 2.698 1.00 0.00 O ATOM 1370 CB VAL A 82 -0.269 -8.677 -0.014 1.00 0.00 C ATOM 1371 CG1 VAL A 82 -1.159 -8.131 1.105 1.00 0.00 C ATOM 1372 CG2 VAL A 82 0.411 -7.486 -0.694 1.00 0.00 C ATOM 0 H VAL A 82 -0.433 -10.852 1.805 1.00 0.00 H new ATOM 0 HA VAL A 82 1.369 -9.949 -0.395 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.886 -9.206 -0.741 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.831 -7.375 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.745 -8.944 1.534 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.536 -7.685 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -0.344 -6.764 -1.004 1.00 0.00 H new ATOM 0 HG22 VAL A 82 1.100 -7.013 0.005 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.962 -7.832 -1.569 1.00 0.00 H new ATOM 1382 N ARG A 83 2.952 -9.355 1.308 1.00 0.00 N ATOM 1383 CA ARG A 83 3.967 -8.828 2.203 1.00 0.00 C ATOM 1384 C ARG A 83 4.270 -7.439 1.665 1.00 0.00 C ATOM 1385 O ARG A 83 4.678 -7.305 0.508 1.00 0.00 O ATOM 1386 CB ARG A 83 5.181 -9.780 2.241 1.00 0.00 C ATOM 1387 CG ARG A 83 5.668 -10.042 3.671 1.00 0.00 C ATOM 1388 CD ARG A 83 6.665 -11.211 3.704 1.00 0.00 C ATOM 1389 NE ARG A 83 6.998 -11.617 5.081 1.00 0.00 N ATOM 1390 CZ ARG A 83 6.217 -12.330 5.904 1.00 0.00 C ATOM 1391 NH1 ARG A 83 5.002 -12.712 5.527 1.00 0.00 N ATOM 1392 NH2 ARG A 83 6.644 -12.641 7.123 1.00 0.00 N ATOM 0 H ARG A 83 3.331 -9.725 0.437 1.00 0.00 H new ATOM 0 HA ARG A 83 3.651 -8.755 3.244 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.913 -10.726 1.771 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.994 -9.352 1.655 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.141 -9.144 4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.817 -10.266 4.314 1.00 0.00 H new ATOM 0 HD2 ARG A 83 6.244 -12.061 3.168 1.00 0.00 H new ATOM 0 HD3 ARG A 83 7.577 -10.924 3.181 1.00 0.00 H new ATOM 0 HE ARG A 83 7.908 -11.328 5.441 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.653 -12.463 4.601 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.418 -13.254 6.163 1.00 0.00 H new ATOM 0 HH21 ARG A 83 7.567 -12.337 7.433 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.049 -13.184 7.749 1.00 0.00 H new ATOM 1406 N LYS A 84 3.990 -6.397 2.450 1.00 0.00 N ATOM 1407 CA LYS A 84 4.393 -5.037 2.100 1.00 0.00 C ATOM 1408 C LYS A 84 5.171 -4.445 3.252 1.00 0.00 C ATOM 1409 O LYS A 84 4.897 -4.748 4.417 1.00 0.00 O ATOM 1410 CB LYS A 84 3.216 -4.166 1.610 1.00 0.00 C ATOM 1411 CG LYS A 84 2.411 -3.300 2.598 1.00 0.00 C ATOM 1412 CD LYS A 84 1.715 -4.083 3.710 1.00 0.00 C ATOM 1413 CE LYS A 84 0.283 -3.597 4.007 1.00 0.00 C ATOM 1414 NZ LYS A 84 0.192 -2.660 5.148 1.00 0.00 N ATOM 0 H LYS A 84 3.485 -6.471 3.333 1.00 0.00 H new ATOM 0 HA LYS A 84 5.055 -5.069 1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.609 -3.497 0.845 1.00 0.00 H new ATOM 0 HB3 LYS A 84 2.508 -4.832 1.117 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.082 -2.570 3.051 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.660 -2.740 2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.682 -5.137 3.434 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.310 -4.011 4.620 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.117 -3.110 3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -0.349 -4.462 4.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.342 -3.105 5.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.149 -2.423 5.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.294 -1.792 4.846 1.00 0.00 H new ATOM 1428 N HIS A 85 6.139 -3.602 2.925 1.00 0.00 N ATOM 1429 CA HIS A 85 6.711 -2.671 3.874 1.00 0.00 C ATOM 1430 C HIS A 85 5.793 -1.459 3.831 1.00 0.00 C ATOM 1431 O HIS A 85 5.468 -0.982 2.743 1.00 0.00 O ATOM 1432 CB HIS A 85 8.155 -2.359 3.467 1.00 0.00 C ATOM 1433 CG HIS A 85 9.119 -3.393 4.003 1.00 0.00 C ATOM 1434 ND1 HIS A 85 9.783 -4.374 3.292 1.00 0.00 N ATOM 1435 CD2 HIS A 85 9.492 -3.509 5.315 1.00 0.00 C ATOM 1436 CE1 HIS A 85 10.532 -5.068 4.168 1.00 0.00 C ATOM 1437 NE2 HIS A 85 10.386 -4.575 5.405 1.00 0.00 N ATOM 0 H HIS A 85 6.547 -3.548 1.992 1.00 0.00 H new ATOM 0 HA HIS A 85 6.772 -3.054 4.893 1.00 0.00 H new ATOM 0 HB2 HIS A 85 8.227 -2.322 2.380 1.00 0.00 H new ATOM 0 HB3 HIS A 85 8.434 -1.373 3.839 1.00 0.00 H new ATOM 0 HD2 HIS A 85 9.155 -2.888 6.132 1.00 0.00 H new ATOM 0 HE1 HIS A 85 11.163 -5.906 3.910 1.00 0.00 H new ATOM 0 HE2 HIS A 85 10.842 -4.915 6.252 1.00 0.00 H new ATOM 1445 N TYR A 86 5.329 -0.991 4.985 1.00 0.00 N ATOM 1446 CA TYR A 86 4.574 0.252 5.106 1.00 0.00 C ATOM 1447 C TYR A 86 5.384 1.197 5.980 1.00 0.00 C ATOM 1448 O TYR A 86 6.283 0.744 6.686 1.00 0.00 O ATOM 1449 CB TYR A 86 3.169 0.000 5.677 1.00 0.00 C ATOM 1450 CG TYR A 86 3.130 -0.450 7.125 1.00 0.00 C ATOM 1451 CD1 TYR A 86 3.465 -1.773 7.472 1.00 0.00 C ATOM 1452 CD2 TYR A 86 2.775 0.471 8.132 1.00 0.00 C ATOM 1453 CE1 TYR A 86 3.464 -2.165 8.820 1.00 0.00 C ATOM 1454 CE2 TYR A 86 2.769 0.081 9.480 1.00 0.00 C ATOM 1455 CZ TYR A 86 3.133 -1.235 9.830 1.00 0.00 C ATOM 1456 OH TYR A 86 3.166 -1.598 11.140 1.00 0.00 O ATOM 0 H TYR A 86 5.468 -1.470 5.874 1.00 0.00 H new ATOM 0 HA TYR A 86 4.419 0.700 4.125 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.586 0.916 5.583 1.00 0.00 H new ATOM 0 HB3 TYR A 86 2.676 -0.756 5.065 1.00 0.00 H new ATOM 0 HD1 TYR A 86 3.722 -2.485 6.702 1.00 0.00 H new ATOM 0 HD2 TYR A 86 2.506 1.482 7.864 1.00 0.00 H new ATOM 0 HE1 TYR A 86 3.717 -3.181 9.085 1.00 0.00 H new ATOM 0 HE2 TYR A 86 2.486 0.787 10.247 1.00 0.00 H new ATOM 0 HH TYR A 86 2.911 -0.834 11.698 1.00 0.00 H new ATOM 1466 N ASN A 87 5.088 2.495 5.943 1.00 0.00 N ATOM 1467 CA ASN A 87 5.699 3.441 6.866 1.00 0.00 C ATOM 1468 C ASN A 87 4.758 4.615 7.064 1.00 0.00 C ATOM 1469 O ASN A 87 4.369 5.255 6.082 1.00 0.00 O ATOM 1470 CB ASN A 87 7.063 3.902 6.345 1.00 0.00 C ATOM 1471 CG ASN A 87 7.861 4.608 7.425 1.00 0.00 C ATOM 1472 OD1 ASN A 87 8.324 3.974 8.369 1.00 0.00 O ATOM 1473 ND2 ASN A 87 8.097 5.900 7.301 1.00 0.00 N ATOM 0 H ASN A 87 4.430 2.912 5.284 1.00 0.00 H new ATOM 0 HA ASN A 87 5.869 2.957 7.828 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.624 3.042 5.980 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.922 4.573 5.498 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.669 6.383 7.994 1.00 0.00 H new ATOM 0 HD22 ASN A 87 7.707 6.416 6.512 1.00 0.00 H new ATOM 1480 N LEU A 88 4.364 4.844 8.313 1.00 0.00 N ATOM 1481 CA LEU A 88 3.627 6.014 8.782 1.00 0.00 C ATOM 1482 C LEU A 88 4.629 7.172 8.850 1.00 0.00 C ATOM 1483 O LEU A 88 5.747 6.960 9.334 1.00 0.00 O ATOM 1484 CB LEU A 88 3.055 5.734 10.188 1.00 0.00 C ATOM 1485 CG LEU A 88 2.254 4.420 10.355 1.00 0.00 C ATOM 1486 CD1 LEU A 88 1.977 4.190 11.846 1.00 0.00 C ATOM 1487 CD2 LEU A 88 0.923 4.422 9.609 1.00 0.00 C ATOM 0 H LEU A 88 4.560 4.184 9.065 1.00 0.00 H new ATOM 0 HA LEU A 88 2.799 6.253 8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.882 5.722 10.898 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.408 6.566 10.466 1.00 0.00 H new ATOM 0 HG LEU A 88 2.863 3.623 9.928 1.00 0.00 H new ATOM 0 HD11 LEU A 88 1.413 3.266 11.973 1.00 0.00 H new ATOM 0 HD12 LEU A 88 2.922 4.115 12.384 1.00 0.00 H new ATOM 0 HD13 LEU A 88 1.399 5.025 12.242 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.414 3.471 9.770 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.299 5.235 9.981 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.104 4.561 8.543 1.00 0.00 H new ATOM 1499 N PHE A 89 4.291 8.368 8.360 1.00 0.00 N ATOM 1500 CA PHE A 89 5.211 9.504 8.324 1.00 0.00 C ATOM 1501 C PHE A 89 4.453 10.815 8.156 1.00 0.00 C ATOM 1502 O PHE A 89 5.124 11.858 7.958 1.00 0.00 O ATOM 1503 CB PHE A 89 6.267 9.325 7.214 1.00 0.00 C ATOM 1504 CG PHE A 89 5.784 9.417 5.778 1.00 0.00 C ATOM 1505 CD1 PHE A 89 4.849 8.500 5.262 1.00 0.00 C ATOM 1506 CD2 PHE A 89 6.312 10.411 4.933 1.00 0.00 C ATOM 1507 CE1 PHE A 89 4.426 8.599 3.928 1.00 0.00 C ATOM 1508 CE2 PHE A 89 5.884 10.513 3.600 1.00 0.00 C ATOM 1509 CZ PHE A 89 4.940 9.607 3.097 1.00 0.00 C ATOM 0 H PHE A 89 3.369 8.574 7.976 1.00 0.00 H new ATOM 0 HA PHE A 89 5.735 9.543 9.279 1.00 0.00 H new ATOM 0 HB2 PHE A 89 7.041 10.078 7.359 1.00 0.00 H new ATOM 0 HB3 PHE A 89 6.739 8.352 7.350 1.00 0.00 H new ATOM 0 HD1 PHE A 89 4.456 7.718 5.895 1.00 0.00 H new ATOM 0 HD2 PHE A 89 7.052 11.100 5.313 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.703 7.898 3.539 1.00 0.00 H new ATOM 0 HE2 PHE A 89 6.282 11.289 2.963 1.00 0.00 H new ATOM 0 HZ PHE A 89 4.609 9.684 2.072 1.00 0.00 H new TER 1519 PHE A 89