USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 618 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 1 MET CE :methyl -177:sc= -1.64 (180deg=-1.71) USER MOD Set 1.2: A 15 MET CE :methyl 179:sc= -0.146 (180deg=-0.139) USER MOD Single : A 1 MET N :NH3+ 170:sc= 1.03 (180deg=0.96) USER MOD Single : A 7 ASN : amide:sc= 1.07 K(o=1.1,f=-9.5!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 159:sc= 1.28 (180deg=1.2) USER MOD Single : A 14 TYR OH : rot 180:sc=-0.00883 USER MOD Single : A 16 SER OG : rot -27:sc= 0.392 USER MOD Single : A 17 TYR OH : rot 90:sc= 0.249 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 1.72 K(o=1.7,f=0) USER MOD Single : A 37 SER OG : rot -47:sc= 1.25 USER MOD Single : A 45 MET CE :methyl 143:sc= -0.0426 (180deg=-0.52) USER MOD Single : A 49 HIS : no HD1:sc= -0.0649 X(o=-0.065,f=-0.034) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 GLN : amide:sc= -0.293 X(o=-0.29,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -174:sc= 1.19 (180deg=1.11) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.696 USER MOD Single : A 77 LYS NZ :NH3+ -169:sc= 2 (180deg=1.85) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 5.508 0.596 -3.647 1.00 0.00 N ATOM 2 CA MET A 1 4.856 -0.503 -4.417 1.00 0.00 C ATOM 3 C MET A 1 3.594 -0.020 -5.150 1.00 0.00 C ATOM 4 O MET A 1 3.067 1.054 -4.858 1.00 0.00 O ATOM 5 CB MET A 1 4.601 -1.775 -3.576 1.00 0.00 C ATOM 6 CG MET A 1 3.552 -1.646 -2.457 1.00 0.00 C ATOM 7 SD MET A 1 3.567 -2.987 -1.238 1.00 0.00 S ATOM 8 CE MET A 1 3.367 -4.396 -2.347 1.00 0.00 C ATOM 0 H1 MET A 1 6.250 0.199 -3.036 1.00 0.00 H new ATOM 0 H2 MET A 1 5.932 1.279 -4.307 1.00 0.00 H new ATOM 0 H3 MET A 1 4.797 1.078 -3.060 1.00 0.00 H new ATOM 0 HA MET A 1 5.574 -0.802 -5.180 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.289 -2.574 -4.248 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.545 -2.085 -3.128 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.711 -0.701 -1.938 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.562 -1.598 -2.911 1.00 0.00 H new ATOM 0 HE1 MET A 1 3.301 -5.313 -1.762 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.456 -4.272 -2.932 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.224 -4.455 -3.018 1.00 0.00 H new ATOM 20 N GLU A 2 3.104 -0.811 -6.110 1.00 0.00 N ATOM 21 CA GLU A 2 2.280 -0.348 -7.224 1.00 0.00 C ATOM 22 C GLU A 2 0.976 -1.161 -7.210 1.00 0.00 C ATOM 23 O GLU A 2 0.832 -2.129 -7.954 1.00 0.00 O ATOM 24 CB GLU A 2 3.136 -0.497 -8.509 1.00 0.00 C ATOM 25 CG GLU A 2 3.867 0.792 -8.925 1.00 0.00 C ATOM 26 CD GLU A 2 4.827 1.352 -7.854 1.00 0.00 C ATOM 27 OE1 GLU A 2 5.687 0.603 -7.334 1.00 0.00 O ATOM 28 OE2 GLU A 2 4.726 2.559 -7.526 1.00 0.00 O ATOM 0 H GLU A 2 3.276 -1.816 -6.132 1.00 0.00 H new ATOM 0 HA GLU A 2 1.983 0.699 -7.161 1.00 0.00 H new ATOM 0 HB2 GLU A 2 3.872 -1.286 -8.354 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.492 -0.818 -9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 2 4.432 0.597 -9.836 1.00 0.00 H new ATOM 0 HG3 GLU A 2 3.126 1.554 -9.166 1.00 0.00 H new ATOM 35 N ILE A 3 0.068 -0.836 -6.276 1.00 0.00 N ATOM 36 CA ILE A 3 -1.228 -1.509 -6.086 1.00 0.00 C ATOM 37 C ILE A 3 -2.137 -1.267 -7.312 1.00 0.00 C ATOM 38 O ILE A 3 -2.051 -0.214 -7.950 1.00 0.00 O ATOM 39 CB ILE A 3 -1.914 -1.017 -4.787 1.00 0.00 C ATOM 40 CG1 ILE A 3 -0.989 -0.977 -3.550 1.00 0.00 C ATOM 41 CG2 ILE A 3 -3.156 -1.865 -4.434 1.00 0.00 C ATOM 42 CD1 ILE A 3 -0.351 -2.292 -3.085 1.00 0.00 C ATOM 0 H ILE A 3 0.219 -0.076 -5.613 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.054 -2.581 -5.989 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.203 0.008 -5.019 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.185 -0.271 -3.757 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.563 -0.571 -2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -3.607 -1.486 -3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.881 -1.805 -5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -2.858 -2.904 -4.290 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.270 -2.105 -2.209 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.134 -3.006 -2.830 1.00 0.00 H new ATOM 0 HD13 ILE A 3 0.265 -2.701 -3.886 1.00 0.00 H new ATOM 54 N GLU A 4 -3.071 -2.186 -7.589 1.00 0.00 N ATOM 55 CA GLU A 4 -4.140 -2.051 -8.564 1.00 0.00 C ATOM 56 C GLU A 4 -5.436 -2.678 -8.019 1.00 0.00 C ATOM 57 O GLU A 4 -5.402 -3.667 -7.281 1.00 0.00 O ATOM 58 CB GLU A 4 -3.702 -2.777 -9.834 1.00 0.00 C ATOM 59 CG GLU A 4 -4.709 -2.666 -10.971 1.00 0.00 C ATOM 60 CD GLU A 4 -4.981 -1.215 -11.413 1.00 0.00 C ATOM 61 OE1 GLU A 4 -5.855 -0.563 -10.792 1.00 0.00 O ATOM 62 OE2 GLU A 4 -4.330 -0.733 -12.371 1.00 0.00 O ATOM 0 H GLU A 4 -3.095 -3.086 -7.110 1.00 0.00 H new ATOM 0 HA GLU A 4 -4.335 -0.999 -8.772 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.746 -2.371 -10.164 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.539 -3.830 -9.604 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -4.344 -3.235 -11.826 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.648 -3.125 -10.660 1.00 0.00 H new ATOM 69 N ARG A 5 -6.588 -2.162 -8.460 1.00 0.00 N ATOM 70 CA ARG A 5 -7.930 -2.633 -8.117 1.00 0.00 C ATOM 71 C ARG A 5 -8.548 -3.170 -9.414 1.00 0.00 C ATOM 72 O ARG A 5 -9.140 -2.400 -10.170 1.00 0.00 O ATOM 73 CB ARG A 5 -8.728 -1.461 -7.507 1.00 0.00 C ATOM 74 CG ARG A 5 -10.141 -1.825 -7.008 1.00 0.00 C ATOM 75 CD ARG A 5 -10.190 -2.594 -5.678 1.00 0.00 C ATOM 76 NE ARG A 5 -9.593 -1.805 -4.578 1.00 0.00 N ATOM 77 CZ ARG A 5 -10.237 -0.959 -3.759 1.00 0.00 C ATOM 78 NH1 ARG A 5 -11.562 -0.894 -3.713 1.00 0.00 N ATOM 79 NH2 ARG A 5 -9.536 -0.159 -2.963 1.00 0.00 N ATOM 0 H ARG A 5 -6.609 -1.366 -9.097 1.00 0.00 H new ATOM 0 HA ARG A 5 -7.927 -3.428 -7.372 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -8.159 -1.049 -6.673 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -8.815 -0.672 -8.254 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.718 -0.907 -6.899 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.636 -2.423 -7.773 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.224 -2.837 -5.434 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -9.656 -3.539 -5.782 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.590 -1.915 -4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.123 -1.499 -4.312 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.019 -0.239 -3.078 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -8.517 -0.191 -2.978 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.017 0.487 -2.337 1.00 0.00 H new ATOM 93 N ILE A 6 -8.360 -4.464 -9.709 1.00 0.00 N ATOM 94 CA ILE A 6 -8.911 -5.092 -10.913 1.00 0.00 C ATOM 95 C ILE A 6 -10.430 -4.954 -10.883 1.00 0.00 C ATOM 96 O ILE A 6 -11.054 -4.457 -11.822 1.00 0.00 O ATOM 97 CB ILE A 6 -8.495 -6.576 -10.954 1.00 0.00 C ATOM 98 CG1 ILE A 6 -6.968 -6.750 -10.850 1.00 0.00 C ATOM 99 CG2 ILE A 6 -9.056 -7.295 -12.192 1.00 0.00 C ATOM 100 CD1 ILE A 6 -6.159 -5.987 -11.903 1.00 0.00 C ATOM 0 H ILE A 6 -7.823 -5.101 -9.120 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.526 -4.604 -11.809 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.936 -7.048 -10.076 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -6.647 -6.425 -9.860 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.732 -7.811 -10.930 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -8.739 -8.338 -12.182 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -10.145 -7.246 -12.179 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.682 -6.811 -13.094 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.096 -6.171 -11.749 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -6.446 -6.327 -12.898 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.359 -4.919 -11.812 1.00 0.00 H new ATOM 112 N ASN A 7 -10.998 -5.401 -9.767 1.00 0.00 N ATOM 113 CA ASN A 7 -12.403 -5.300 -9.404 1.00 0.00 C ATOM 114 C ASN A 7 -12.458 -5.330 -7.869 1.00 0.00 C ATOM 115 O ASN A 7 -11.431 -5.146 -7.216 1.00 0.00 O ATOM 116 CB ASN A 7 -13.232 -6.402 -10.116 1.00 0.00 C ATOM 117 CG ASN A 7 -13.084 -7.823 -9.585 1.00 0.00 C ATOM 118 OD1 ASN A 7 -12.338 -8.093 -8.654 1.00 0.00 O ATOM 119 ND2 ASN A 7 -13.804 -8.774 -10.149 1.00 0.00 N ATOM 0 H ASN A 7 -10.451 -5.874 -9.047 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.863 -4.371 -9.742 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -14.285 -6.126 -10.059 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -12.960 -6.403 -11.171 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.738 -9.733 -9.809 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.426 -8.550 -10.925 1.00 0.00 H new ATOM 126 N GLU A 8 -13.629 -5.532 -7.263 1.00 0.00 N ATOM 127 CA GLU A 8 -13.767 -5.448 -5.805 1.00 0.00 C ATOM 128 C GLU A 8 -13.258 -6.704 -5.070 1.00 0.00 C ATOM 129 O GLU A 8 -13.315 -6.774 -3.840 1.00 0.00 O ATOM 130 CB GLU A 8 -15.228 -5.127 -5.452 1.00 0.00 C ATOM 131 CG GLU A 8 -15.337 -4.240 -4.205 1.00 0.00 C ATOM 132 CD GLU A 8 -14.923 -2.782 -4.502 1.00 0.00 C ATOM 133 OE1 GLU A 8 -13.707 -2.469 -4.485 1.00 0.00 O ATOM 134 OE2 GLU A 8 -15.819 -1.939 -4.752 1.00 0.00 O ATOM 0 H GLU A 8 -14.494 -5.754 -7.756 1.00 0.00 H new ATOM 0 HA GLU A 8 -13.125 -4.640 -5.455 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -15.703 -4.626 -6.296 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -15.773 -6.056 -5.285 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.362 -4.259 -3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.704 -4.644 -3.415 1.00 0.00 H new ATOM 141 N HIS A 9 -12.754 -7.705 -5.800 1.00 0.00 N ATOM 142 CA HIS A 9 -12.438 -9.030 -5.274 1.00 0.00 C ATOM 143 C HIS A 9 -10.994 -9.396 -5.610 1.00 0.00 C ATOM 144 O HIS A 9 -10.211 -9.665 -4.698 1.00 0.00 O ATOM 145 CB HIS A 9 -13.462 -10.040 -5.825 1.00 0.00 C ATOM 146 CG HIS A 9 -14.901 -9.609 -5.641 1.00 0.00 C ATOM 147 ND1 HIS A 9 -15.780 -9.260 -6.646 1.00 0.00 N ATOM 148 CD2 HIS A 9 -15.561 -9.424 -4.453 1.00 0.00 C ATOM 149 CE1 HIS A 9 -16.938 -8.881 -6.078 1.00 0.00 C ATOM 150 NE2 HIS A 9 -16.861 -8.984 -4.739 1.00 0.00 N ATOM 0 H HIS A 9 -12.551 -7.610 -6.795 1.00 0.00 H new ATOM 0 HA HIS A 9 -12.513 -9.044 -4.187 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -13.271 -10.195 -6.887 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -13.314 -11.000 -5.331 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -15.150 -9.589 -3.468 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -17.808 -8.542 -6.621 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -17.601 -8.782 -4.066 1.00 0.00 H new ATOM 158 N THR A 10 -10.593 -9.335 -6.875 1.00 0.00 N ATOM 159 CA THR A 10 -9.193 -9.439 -7.263 1.00 0.00 C ATOM 160 C THR A 10 -8.535 -8.081 -7.049 1.00 0.00 C ATOM 161 O THR A 10 -9.045 -7.047 -7.491 1.00 0.00 O ATOM 162 CB THR A 10 -9.083 -9.869 -8.735 1.00 0.00 C ATOM 163 OG1 THR A 10 -9.782 -11.095 -8.897 1.00 0.00 O ATOM 164 CG2 THR A 10 -7.631 -10.072 -9.186 1.00 0.00 C ATOM 0 H THR A 10 -11.231 -9.212 -7.661 1.00 0.00 H new ATOM 0 HA THR A 10 -8.689 -10.191 -6.656 1.00 0.00 H new ATOM 0 HB THR A 10 -9.509 -9.073 -9.346 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.724 -11.384 -9.832 1.00 0.00 H new ATOM 0 HG21 THR A 10 -7.614 -10.375 -10.233 1.00 0.00 H new ATOM 0 HG22 THR A 10 -7.080 -9.139 -9.069 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.166 -10.847 -8.577 1.00 0.00 H new ATOM 172 N VAL A 11 -7.340 -8.101 -6.471 1.00 0.00 N ATOM 173 CA VAL A 11 -6.419 -6.974 -6.485 1.00 0.00 C ATOM 174 C VAL A 11 -5.086 -7.533 -6.970 1.00 0.00 C ATOM 175 O VAL A 11 -4.827 -8.734 -6.858 1.00 0.00 O ATOM 176 CB VAL A 11 -6.360 -6.265 -5.107 1.00 0.00 C ATOM 177 CG1 VAL A 11 -7.736 -5.705 -4.716 1.00 0.00 C ATOM 178 CG2 VAL A 11 -5.864 -7.159 -3.962 1.00 0.00 C ATOM 0 H VAL A 11 -6.979 -8.914 -5.972 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.743 -6.180 -7.158 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.634 -5.463 -5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.666 -5.213 -3.746 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.062 -4.984 -5.466 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -8.458 -6.520 -4.659 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.852 -6.588 -3.034 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.531 -8.015 -3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.856 -7.510 -4.185 1.00 0.00 H new ATOM 188 N LYS A 12 -4.225 -6.684 -7.518 1.00 0.00 N ATOM 189 CA LYS A 12 -2.852 -7.081 -7.776 1.00 0.00 C ATOM 190 C LYS A 12 -1.950 -5.953 -7.342 1.00 0.00 C ATOM 191 O LYS A 12 -2.424 -4.856 -7.053 1.00 0.00 O ATOM 192 CB LYS A 12 -2.653 -7.517 -9.241 1.00 0.00 C ATOM 193 CG LYS A 12 -2.549 -6.404 -10.277 1.00 0.00 C ATOM 194 CD LYS A 12 -2.245 -7.010 -11.660 1.00 0.00 C ATOM 195 CE LYS A 12 -1.961 -5.869 -12.638 1.00 0.00 C ATOM 196 NZ LYS A 12 -1.382 -6.348 -13.921 1.00 0.00 N ATOM 0 H LYS A 12 -4.452 -5.727 -7.789 1.00 0.00 H new ATOM 0 HA LYS A 12 -2.591 -7.966 -7.195 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -1.747 -8.120 -9.297 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -3.484 -8.165 -9.519 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.481 -5.839 -10.313 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -1.763 -5.704 -9.995 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -1.387 -7.680 -11.600 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -3.090 -7.605 -12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -2.886 -5.329 -12.840 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.274 -5.161 -12.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.534 -5.632 -14.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -0.362 -6.511 -13.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -1.844 -7.237 -14.200 1.00 0.00 H new ATOM 210 N PHE A 13 -0.656 -6.208 -7.331 1.00 0.00 N ATOM 211 CA PHE A 13 0.325 -5.174 -7.131 1.00 0.00 C ATOM 212 C PHE A 13 1.584 -5.584 -7.870 1.00 0.00 C ATOM 213 O PHE A 13 1.872 -6.773 -8.014 1.00 0.00 O ATOM 214 CB PHE A 13 0.563 -4.957 -5.631 1.00 0.00 C ATOM 215 CG PHE A 13 0.958 -6.192 -4.853 1.00 0.00 C ATOM 216 CD1 PHE A 13 -0.032 -7.063 -4.364 1.00 0.00 C ATOM 217 CD2 PHE A 13 2.311 -6.449 -4.585 1.00 0.00 C ATOM 218 CE1 PHE A 13 0.330 -8.168 -3.576 1.00 0.00 C ATOM 219 CE2 PHE A 13 2.671 -7.528 -3.763 1.00 0.00 C ATOM 220 CZ PHE A 13 1.677 -8.371 -3.233 1.00 0.00 C ATOM 0 H PHE A 13 -0.261 -7.139 -7.461 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.018 -4.218 -7.527 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.343 -4.206 -5.509 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.346 -4.546 -5.192 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.071 -6.882 -4.595 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.076 -5.816 -5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.426 -8.860 -3.235 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.711 -7.711 -3.537 1.00 0.00 H new ATOM 0 HZ PHE A 13 1.949 -9.173 -2.563 1.00 0.00 H new ATOM 230 N TYR A 14 2.352 -4.600 -8.317 1.00 0.00 N ATOM 231 CA TYR A 14 3.712 -4.805 -8.742 1.00 0.00 C ATOM 232 C TYR A 14 4.615 -4.339 -7.600 1.00 0.00 C ATOM 233 O TYR A 14 4.276 -3.409 -6.860 1.00 0.00 O ATOM 234 CB TYR A 14 3.930 -4.059 -10.057 1.00 0.00 C ATOM 235 CG TYR A 14 5.383 -4.044 -10.446 1.00 0.00 C ATOM 236 CD1 TYR A 14 5.991 -5.232 -10.876 1.00 0.00 C ATOM 237 CD2 TYR A 14 6.141 -2.881 -10.252 1.00 0.00 C ATOM 238 CE1 TYR A 14 7.364 -5.266 -11.150 1.00 0.00 C ATOM 239 CE2 TYR A 14 7.523 -2.902 -10.527 1.00 0.00 C ATOM 240 CZ TYR A 14 8.141 -4.093 -10.988 1.00 0.00 C ATOM 241 OH TYR A 14 9.477 -4.127 -11.266 1.00 0.00 O ATOM 0 H TYR A 14 2.037 -3.633 -8.392 1.00 0.00 H new ATOM 0 HA TYR A 14 3.948 -5.850 -8.945 1.00 0.00 H new ATOM 0 HB2 TYR A 14 3.345 -4.532 -10.846 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.567 -3.036 -9.961 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.397 -6.126 -10.997 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.670 -1.977 -9.895 1.00 0.00 H new ATOM 0 HE1 TYR A 14 7.828 -6.182 -11.483 1.00 0.00 H new ATOM 0 HE2 TYR A 14 8.114 -2.009 -10.386 1.00 0.00 H new ATOM 0 HH TYR A 14 9.867 -3.242 -11.106 1.00 0.00 H new ATOM 251 N MET A 15 5.748 -5.012 -7.426 1.00 0.00 N ATOM 252 CA MET A 15 6.655 -4.814 -6.320 1.00 0.00 C ATOM 253 C MET A 15 8.077 -4.922 -6.847 1.00 0.00 C ATOM 254 O MET A 15 8.560 -6.011 -7.153 1.00 0.00 O ATOM 255 CB MET A 15 6.370 -5.890 -5.272 1.00 0.00 C ATOM 256 CG MET A 15 7.021 -5.582 -3.944 1.00 0.00 C ATOM 257 SD MET A 15 6.481 -6.708 -2.638 1.00 0.00 S ATOM 258 CE MET A 15 6.653 -5.602 -1.219 1.00 0.00 C ATOM 0 H MET A 15 6.063 -5.732 -8.077 1.00 0.00 H new ATOM 0 HA MET A 15 6.525 -3.834 -5.861 1.00 0.00 H new ATOM 0 HB2 MET A 15 5.293 -5.983 -5.133 1.00 0.00 H new ATOM 0 HB3 MET A 15 6.729 -6.853 -5.636 1.00 0.00 H new ATOM 0 HG2 MET A 15 8.104 -5.644 -4.050 1.00 0.00 H new ATOM 0 HG3 MET A 15 6.787 -4.557 -3.656 1.00 0.00 H new ATOM 0 HE1 MET A 15 6.344 -6.123 -0.312 1.00 0.00 H new ATOM 0 HE2 MET A 15 7.694 -5.292 -1.123 1.00 0.00 H new ATOM 0 HE3 MET A 15 6.025 -4.723 -1.365 1.00 0.00 H new ATOM 268 N SER A 16 8.749 -3.788 -6.969 1.00 0.00 N ATOM 269 CA SER A 16 10.164 -3.749 -7.324 1.00 0.00 C ATOM 270 C SER A 16 10.962 -4.370 -6.179 1.00 0.00 C ATOM 271 O SER A 16 10.565 -4.261 -5.015 1.00 0.00 O ATOM 272 CB SER A 16 10.610 -2.304 -7.580 1.00 0.00 C ATOM 273 OG SER A 16 9.654 -1.590 -8.354 1.00 0.00 O ATOM 0 H SER A 16 8.332 -2.868 -6.825 1.00 0.00 H new ATOM 0 HA SER A 16 10.338 -4.313 -8.240 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.761 -1.795 -6.628 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.570 -2.305 -8.097 1.00 0.00 H new ATOM 0 HG SER A 16 9.153 -2.218 -8.916 1.00 0.00 H new ATOM 279 N TYR A 17 12.113 -4.974 -6.486 1.00 0.00 N ATOM 280 CA TYR A 17 12.953 -5.627 -5.484 1.00 0.00 C ATOM 281 C TYR A 17 13.283 -4.711 -4.317 1.00 0.00 C ATOM 282 O TYR A 17 13.182 -5.135 -3.171 1.00 0.00 O ATOM 283 CB TYR A 17 14.245 -6.155 -6.111 1.00 0.00 C ATOM 284 CG TYR A 17 14.072 -7.213 -7.179 1.00 0.00 C ATOM 285 CD1 TYR A 17 13.023 -8.156 -7.116 1.00 0.00 C ATOM 286 CD2 TYR A 17 15.007 -7.274 -8.224 1.00 0.00 C ATOM 287 CE1 TYR A 17 12.922 -9.156 -8.094 1.00 0.00 C ATOM 288 CE2 TYR A 17 14.923 -8.287 -9.190 1.00 0.00 C ATOM 289 CZ TYR A 17 13.883 -9.240 -9.126 1.00 0.00 C ATOM 290 OH TYR A 17 13.865 -10.261 -10.024 1.00 0.00 O ATOM 0 H TYR A 17 12.486 -5.023 -7.434 1.00 0.00 H new ATOM 0 HA TYR A 17 12.374 -6.465 -5.095 1.00 0.00 H new ATOM 0 HB2 TYR A 17 14.787 -5.314 -6.543 1.00 0.00 H new ATOM 0 HB3 TYR A 17 14.871 -6.564 -5.318 1.00 0.00 H new ATOM 0 HD1 TYR A 17 12.299 -8.107 -6.316 1.00 0.00 H new ATOM 0 HD2 TYR A 17 15.795 -6.538 -8.284 1.00 0.00 H new ATOM 0 HE1 TYR A 17 12.107 -9.864 -8.058 1.00 0.00 H new ATOM 0 HE2 TYR A 17 15.654 -8.338 -9.983 1.00 0.00 H new ATOM 0 HH TYR A 17 13.311 -10.011 -10.793 1.00 0.00 H new ATOM 300 N GLY A 18 13.612 -3.447 -4.563 1.00 0.00 N ATOM 301 CA GLY A 18 14.035 -2.587 -3.474 1.00 0.00 C ATOM 302 C GLY A 18 12.884 -2.124 -2.581 1.00 0.00 C ATOM 303 O GLY A 18 13.150 -1.603 -1.503 1.00 0.00 O ATOM 0 H GLY A 18 13.594 -3.008 -5.483 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.766 -3.118 -2.865 1.00 0.00 H new ATOM 0 HA3 GLY A 18 14.539 -1.713 -3.886 1.00 0.00 H new ATOM 307 N ASP A 19 11.616 -2.361 -2.951 1.00 0.00 N ATOM 308 CA ASP A 19 10.509 -2.228 -1.997 1.00 0.00 C ATOM 309 C ASP A 19 10.650 -3.307 -0.923 1.00 0.00 C ATOM 310 O ASP A 19 10.566 -3.044 0.276 1.00 0.00 O ATOM 311 CB ASP A 19 9.150 -2.406 -2.692 1.00 0.00 C ATOM 312 CG ASP A 19 8.026 -1.873 -1.802 1.00 0.00 C ATOM 313 OD1 ASP A 19 7.641 -2.569 -0.839 1.00 0.00 O ATOM 314 OD2 ASP A 19 7.499 -0.774 -2.104 1.00 0.00 O ATOM 0 H ASP A 19 11.336 -2.642 -3.891 1.00 0.00 H new ATOM 0 HA ASP A 19 10.550 -1.230 -1.560 1.00 0.00 H new ATOM 0 HB2 ASP A 19 9.149 -1.878 -3.646 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.981 -3.460 -2.911 1.00 0.00 H new ATOM 319 N ILE A 20 10.935 -4.527 -1.375 1.00 0.00 N ATOM 320 CA ILE A 20 11.106 -5.704 -0.542 1.00 0.00 C ATOM 321 C ILE A 20 12.352 -5.482 0.331 1.00 0.00 C ATOM 322 O ILE A 20 12.286 -5.731 1.536 1.00 0.00 O ATOM 323 CB ILE A 20 11.135 -6.959 -1.466 1.00 0.00 C ATOM 324 CG1 ILE A 20 9.784 -7.108 -2.200 1.00 0.00 C ATOM 325 CG2 ILE A 20 11.426 -8.243 -0.693 1.00 0.00 C ATOM 326 CD1 ILE A 20 9.859 -7.792 -3.567 1.00 0.00 C ATOM 0 H ILE A 20 11.056 -4.724 -2.368 1.00 0.00 H new ATOM 0 HA ILE A 20 10.283 -5.877 0.151 1.00 0.00 H new ATOM 0 HB ILE A 20 11.942 -6.807 -2.183 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.104 -7.675 -1.564 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.348 -6.118 -2.330 1.00 0.00 H new ATOM 0 HG21 ILE A 20 11.435 -9.088 -1.381 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.397 -8.162 -0.205 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.653 -8.397 0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 20 8.861 -7.849 -4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.509 -7.217 -4.226 1.00 0.00 H new ATOM 0 HD13 ILE A 20 10.261 -8.798 -3.449 1.00 0.00 H new ATOM 338 N GLU A 21 13.439 -4.936 -0.235 1.00 0.00 N ATOM 339 CA GLU A 21 14.639 -4.590 0.525 1.00 0.00 C ATOM 340 C GLU A 21 14.349 -3.514 1.582 1.00 0.00 C ATOM 341 O GLU A 21 14.897 -3.575 2.684 1.00 0.00 O ATOM 342 CB GLU A 21 15.766 -4.040 -0.372 1.00 0.00 C ATOM 343 CG GLU A 21 16.224 -4.931 -1.532 1.00 0.00 C ATOM 344 CD GLU A 21 17.513 -4.390 -2.177 1.00 0.00 C ATOM 345 OE1 GLU A 21 18.623 -4.774 -1.729 1.00 0.00 O ATOM 346 OE2 GLU A 21 17.436 -3.579 -3.132 1.00 0.00 O ATOM 0 H GLU A 21 13.506 -4.724 -1.231 1.00 0.00 H new ATOM 0 HA GLU A 21 14.955 -5.522 0.994 1.00 0.00 H new ATOM 0 HB2 GLU A 21 15.436 -3.087 -0.786 1.00 0.00 H new ATOM 0 HB3 GLU A 21 16.631 -3.832 0.258 1.00 0.00 H new ATOM 0 HG2 GLU A 21 16.394 -5.945 -1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 21 15.436 -4.989 -2.282 1.00 0.00 H new ATOM 353 N ASP A 22 13.512 -2.520 1.269 1.00 0.00 N ATOM 354 CA ASP A 22 13.195 -1.415 2.180 1.00 0.00 C ATOM 355 C ASP A 22 12.408 -1.920 3.379 1.00 0.00 C ATOM 356 O ASP A 22 12.690 -1.570 4.529 1.00 0.00 O ATOM 357 CB ASP A 22 12.351 -0.349 1.489 1.00 0.00 C ATOM 358 CG ASP A 22 12.118 0.840 2.435 1.00 0.00 C ATOM 359 OD1 ASP A 22 13.073 1.616 2.682 1.00 0.00 O ATOM 360 OD2 ASP A 22 10.974 1.014 2.920 1.00 0.00 O ATOM 0 H ASP A 22 13.032 -2.459 0.371 1.00 0.00 H new ATOM 0 HA ASP A 22 14.145 -0.985 2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 22 12.852 -0.009 0.583 1.00 0.00 H new ATOM 0 HB3 ASP A 22 11.394 -0.773 1.184 1.00 0.00 H new ATOM 365 N ARG A 23 11.449 -2.803 3.097 1.00 0.00 N ATOM 366 CA ARG A 23 10.709 -3.551 4.099 1.00 0.00 C ATOM 367 C ARG A 23 11.601 -4.553 4.844 1.00 0.00 C ATOM 368 O ARG A 23 11.161 -5.121 5.845 1.00 0.00 O ATOM 369 CB ARG A 23 9.483 -4.196 3.440 1.00 0.00 C ATOM 370 CG ARG A 23 8.422 -3.155 3.058 1.00 0.00 C ATOM 371 CD ARG A 23 7.192 -3.827 2.434 1.00 0.00 C ATOM 372 NE ARG A 23 5.968 -3.068 2.766 1.00 0.00 N ATOM 373 CZ ARG A 23 5.524 -1.938 2.194 1.00 0.00 C ATOM 374 NH1 ARG A 23 6.041 -1.473 1.063 1.00 0.00 N ATOM 375 NH2 ARG A 23 4.551 -1.258 2.790 1.00 0.00 N ATOM 0 H ARG A 23 11.163 -3.019 2.142 1.00 0.00 H new ATOM 0 HA ARG A 23 10.354 -2.870 4.872 1.00 0.00 H new ATOM 0 HB2 ARG A 23 9.795 -4.740 2.548 1.00 0.00 H new ATOM 0 HB3 ARG A 23 9.046 -4.925 4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.124 -2.593 3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.846 -2.439 2.354 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.310 -3.884 1.352 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.104 -4.850 2.799 1.00 0.00 H new ATOM 0 HE ARG A 23 5.393 -3.448 3.518 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.798 -1.978 0.603 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.681 -0.611 0.654 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.155 -1.597 3.667 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.200 -0.397 2.371 1.00 0.00 H new ATOM 389 N GLY A 24 12.847 -4.746 4.409 1.00 0.00 N ATOM 390 CA GLY A 24 13.837 -5.551 5.105 1.00 0.00 C ATOM 391 C GLY A 24 13.704 -7.047 4.815 1.00 0.00 C ATOM 392 O GLY A 24 14.380 -7.856 5.456 1.00 0.00 O ATOM 0 H GLY A 24 13.198 -4.336 3.544 1.00 0.00 H new ATOM 0 HA2 GLY A 24 14.834 -5.218 4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.742 -5.385 6.178 1.00 0.00 H new ATOM 396 N PHE A 25 12.848 -7.414 3.861 1.00 0.00 N ATOM 397 CA PHE A 25 12.782 -8.759 3.300 1.00 0.00 C ATOM 398 C PHE A 25 13.815 -8.855 2.164 1.00 0.00 C ATOM 399 O PHE A 25 14.631 -7.947 1.964 1.00 0.00 O ATOM 400 CB PHE A 25 11.331 -9.037 2.854 1.00 0.00 C ATOM 401 CG PHE A 25 10.303 -8.907 3.966 1.00 0.00 C ATOM 402 CD1 PHE A 25 9.704 -7.656 4.214 1.00 0.00 C ATOM 403 CD2 PHE A 25 9.977 -10.007 4.784 1.00 0.00 C ATOM 404 CE1 PHE A 25 8.869 -7.481 5.330 1.00 0.00 C ATOM 405 CE2 PHE A 25 9.155 -9.824 5.907 1.00 0.00 C ATOM 406 CZ PHE A 25 8.616 -8.558 6.193 1.00 0.00 C ATOM 0 H PHE A 25 12.170 -6.772 3.451 1.00 0.00 H new ATOM 0 HA PHE A 25 13.035 -9.529 4.029 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.071 -8.347 2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.276 -10.044 2.440 1.00 0.00 H new ATOM 0 HD1 PHE A 25 9.887 -6.829 3.544 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.359 -10.989 4.547 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.422 -6.517 5.524 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.936 -10.660 6.554 1.00 0.00 H new ATOM 0 HZ PHE A 25 8.009 -8.415 7.075 1.00 0.00 H new ATOM 416 N ASP A 26 13.794 -9.947 1.395 1.00 0.00 N ATOM 417 CA ASP A 26 14.611 -10.090 0.191 1.00 0.00 C ATOM 418 C ASP A 26 13.796 -10.846 -0.848 1.00 0.00 C ATOM 419 O ASP A 26 12.894 -11.603 -0.483 1.00 0.00 O ATOM 420 CB ASP A 26 15.915 -10.842 0.490 1.00 0.00 C ATOM 421 CG ASP A 26 17.070 -10.318 -0.378 1.00 0.00 C ATOM 422 OD1 ASP A 26 16.885 -10.178 -1.611 1.00 0.00 O ATOM 423 OD2 ASP A 26 18.170 -10.065 0.169 1.00 0.00 O ATOM 0 H ASP A 26 13.208 -10.758 1.592 1.00 0.00 H new ATOM 0 HA ASP A 26 14.883 -9.102 -0.182 1.00 0.00 H new ATOM 0 HB2 ASP A 26 16.169 -10.730 1.544 1.00 0.00 H new ATOM 0 HB3 ASP A 26 15.774 -11.907 0.308 1.00 0.00 H new ATOM 428 N ARG A 27 14.078 -10.650 -2.136 1.00 0.00 N ATOM 429 CA ARG A 27 13.196 -11.104 -3.212 1.00 0.00 C ATOM 430 C ARG A 27 13.017 -12.620 -3.250 1.00 0.00 C ATOM 431 O ARG A 27 11.944 -13.083 -3.618 1.00 0.00 O ATOM 432 CB ARG A 27 13.686 -10.556 -4.574 1.00 0.00 C ATOM 433 CG ARG A 27 15.066 -11.092 -5.009 1.00 0.00 C ATOM 434 CD ARG A 27 15.499 -10.600 -6.395 1.00 0.00 C ATOM 435 NE ARG A 27 16.862 -11.069 -6.712 1.00 0.00 N ATOM 436 CZ ARG A 27 17.357 -11.383 -7.918 1.00 0.00 C ATOM 437 NH1 ARG A 27 16.622 -11.276 -9.024 1.00 0.00 N ATOM 438 NH2 ARG A 27 18.611 -11.818 -8.014 1.00 0.00 N ATOM 0 H ARG A 27 14.920 -10.175 -2.462 1.00 0.00 H new ATOM 0 HA ARG A 27 12.206 -10.699 -3.003 1.00 0.00 H new ATOM 0 HB2 ARG A 27 12.952 -10.808 -5.340 1.00 0.00 H new ATOM 0 HB3 ARG A 27 13.731 -9.468 -4.521 1.00 0.00 H new ATOM 0 HG2 ARG A 27 15.813 -10.791 -4.275 1.00 0.00 H new ATOM 0 HG3 ARG A 27 15.041 -12.182 -5.010 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.800 -10.961 -7.149 1.00 0.00 H new ATOM 0 HD3 ARG A 27 15.467 -9.511 -6.426 1.00 0.00 H new ATOM 0 HE ARG A 27 17.501 -11.165 -5.923 1.00 0.00 H new ATOM 0 HH11 ARG A 27 15.658 -10.948 -8.966 1.00 0.00 H new ATOM 0 HH12 ARG A 27 17.024 -11.522 -9.929 1.00 0.00 H new ATOM 0 HH21 ARG A 27 19.185 -11.910 -7.176 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.998 -12.060 -8.926 1.00 0.00 H new ATOM 452 N GLU A 28 14.050 -13.380 -2.884 1.00 0.00 N ATOM 453 CA GLU A 28 13.934 -14.829 -2.766 1.00 0.00 C ATOM 454 C GLU A 28 13.417 -15.161 -1.370 1.00 0.00 C ATOM 455 O GLU A 28 12.524 -15.986 -1.226 1.00 0.00 O ATOM 456 CB GLU A 28 15.290 -15.496 -3.016 1.00 0.00 C ATOM 457 CG GLU A 28 15.777 -15.315 -4.456 1.00 0.00 C ATOM 458 CD GLU A 28 17.036 -16.155 -4.739 1.00 0.00 C ATOM 459 OE1 GLU A 28 18.165 -15.672 -4.477 1.00 0.00 O ATOM 460 OE2 GLU A 28 16.908 -17.298 -5.241 1.00 0.00 O ATOM 0 H GLU A 28 14.976 -13.013 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 28 13.237 -15.208 -3.513 1.00 0.00 H new ATOM 0 HB2 GLU A 28 16.028 -15.078 -2.331 1.00 0.00 H new ATOM 0 HB3 GLU A 28 15.214 -16.560 -2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.985 -15.602 -5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 28 15.993 -14.262 -4.638 1.00 0.00 H new ATOM 467 N GLU A 29 13.944 -14.495 -0.339 1.00 0.00 N ATOM 468 CA GLU A 29 13.678 -14.811 1.061 1.00 0.00 C ATOM 469 C GLU A 29 12.201 -14.762 1.403 1.00 0.00 C ATOM 470 O GLU A 29 11.742 -15.588 2.191 1.00 0.00 O ATOM 471 CB GLU A 29 14.435 -13.824 1.951 1.00 0.00 C ATOM 472 CG GLU A 29 15.944 -14.049 1.914 1.00 0.00 C ATOM 473 CD GLU A 29 16.369 -15.362 2.608 1.00 0.00 C ATOM 474 OE1 GLU A 29 16.075 -15.553 3.814 1.00 0.00 O ATOM 475 OE2 GLU A 29 16.998 -16.221 1.943 1.00 0.00 O ATOM 0 H GLU A 29 14.579 -13.706 -0.460 1.00 0.00 H new ATOM 0 HA GLU A 29 14.017 -15.832 1.234 1.00 0.00 H new ATOM 0 HB2 GLU A 29 14.214 -12.806 1.630 1.00 0.00 H new ATOM 0 HB3 GLU A 29 14.081 -13.919 2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.279 -14.066 0.877 1.00 0.00 H new ATOM 0 HG3 GLU A 29 16.444 -13.209 2.397 1.00 0.00 H new ATOM 482 N ILE A 30 11.475 -13.834 0.778 1.00 0.00 N ATOM 483 CA ILE A 30 10.012 -13.779 0.797 1.00 0.00 C ATOM 484 C ILE A 30 9.445 -15.192 0.617 1.00 0.00 C ATOM 485 O ILE A 30 8.703 -15.673 1.468 1.00 0.00 O ATOM 486 CB ILE A 30 9.492 -12.810 -0.290 1.00 0.00 C ATOM 487 CG1 ILE A 30 9.775 -11.345 0.103 1.00 0.00 C ATOM 488 CG2 ILE A 30 8.000 -12.979 -0.633 1.00 0.00 C ATOM 489 CD1 ILE A 30 8.696 -10.628 0.940 1.00 0.00 C ATOM 0 H ILE A 30 11.897 -13.083 0.232 1.00 0.00 H new ATOM 0 HA ILE A 30 9.674 -13.395 1.759 1.00 0.00 H new ATOM 0 HB ILE A 30 10.044 -13.072 -1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.711 -11.318 0.661 1.00 0.00 H new ATOM 0 HG13 ILE A 30 9.932 -10.772 -0.811 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.720 -12.260 -1.403 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.823 -13.990 -0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.399 -12.806 0.260 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.016 -9.607 1.149 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.758 -10.608 0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 30 8.550 -11.162 1.879 1.00 0.00 H new ATOM 501 N TRP A 31 9.813 -15.878 -0.462 1.00 0.00 N ATOM 502 CA TRP A 31 9.236 -17.159 -0.858 1.00 0.00 C ATOM 503 C TRP A 31 9.749 -18.346 -0.035 1.00 0.00 C ATOM 504 O TRP A 31 9.134 -19.415 -0.077 1.00 0.00 O ATOM 505 CB TRP A 31 9.515 -17.387 -2.347 1.00 0.00 C ATOM 506 CG TRP A 31 9.094 -16.242 -3.214 1.00 0.00 C ATOM 507 CD1 TRP A 31 9.940 -15.452 -3.904 1.00 0.00 C ATOM 508 CD2 TRP A 31 7.761 -15.673 -3.413 1.00 0.00 C ATOM 509 NE1 TRP A 31 9.242 -14.410 -4.475 1.00 0.00 N ATOM 510 CE2 TRP A 31 7.895 -14.477 -4.181 1.00 0.00 C ATOM 511 CE3 TRP A 31 6.454 -16.031 -3.014 1.00 0.00 C ATOM 512 CZ2 TRP A 31 6.796 -13.664 -4.494 1.00 0.00 C ATOM 513 CZ3 TRP A 31 5.338 -15.245 -3.363 1.00 0.00 C ATOM 514 CH2 TRP A 31 5.508 -14.057 -4.095 1.00 0.00 C ATOM 0 H TRP A 31 10.538 -15.550 -1.100 1.00 0.00 H new ATOM 0 HA TRP A 31 8.164 -17.105 -0.666 1.00 0.00 H new ATOM 0 HB2 TRP A 31 10.581 -17.565 -2.486 1.00 0.00 H new ATOM 0 HB3 TRP A 31 8.996 -18.289 -2.672 1.00 0.00 H new ATOM 0 HD1 TRP A 31 11.004 -15.611 -3.996 1.00 0.00 H new ATOM 0 HE1 TRP A 31 9.668 -13.679 -5.045 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.307 -16.927 -2.429 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 6.939 -12.742 -5.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.347 -15.557 -3.067 1.00 0.00 H new ATOM 0 HH2 TRP A 31 4.652 -13.449 -4.349 1.00 0.00 H new ATOM 525 N TYR A 32 10.844 -18.177 0.714 1.00 0.00 N ATOM 526 CA TYR A 32 11.583 -19.276 1.339 1.00 0.00 C ATOM 527 C TYR A 32 11.608 -19.169 2.868 1.00 0.00 C ATOM 528 O TYR A 32 12.246 -19.983 3.542 1.00 0.00 O ATOM 529 CB TYR A 32 12.976 -19.372 0.695 1.00 0.00 C ATOM 530 CG TYR A 32 12.940 -19.617 -0.803 1.00 0.00 C ATOM 531 CD1 TYR A 32 12.229 -20.717 -1.322 1.00 0.00 C ATOM 532 CD2 TYR A 32 13.582 -18.731 -1.684 1.00 0.00 C ATOM 533 CE1 TYR A 32 12.132 -20.907 -2.709 1.00 0.00 C ATOM 534 CE2 TYR A 32 13.454 -18.888 -3.075 1.00 0.00 C ATOM 535 CZ TYR A 32 12.730 -19.985 -3.598 1.00 0.00 C ATOM 536 OH TYR A 32 12.608 -20.171 -4.946 1.00 0.00 O ATOM 0 H TYR A 32 11.246 -17.259 0.905 1.00 0.00 H new ATOM 0 HA TYR A 32 11.065 -20.216 1.151 1.00 0.00 H new ATOM 0 HB2 TYR A 32 13.521 -18.449 0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 32 13.533 -20.178 1.173 1.00 0.00 H new ATOM 0 HD1 TYR A 32 11.756 -21.417 -0.649 1.00 0.00 H new ATOM 0 HD2 TYR A 32 14.179 -17.922 -1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 32 11.598 -21.761 -3.099 1.00 0.00 H new ATOM 0 HE2 TYR A 32 13.908 -18.172 -3.744 1.00 0.00 H new ATOM 0 HH TYR A 32 13.074 -19.450 -5.419 1.00 0.00 H new ATOM 546 N ASN A 33 10.860 -18.215 3.432 1.00 0.00 N ATOM 547 CA ASN A 33 10.590 -18.058 4.850 1.00 0.00 C ATOM 548 C ASN A 33 9.075 -17.905 4.948 1.00 0.00 C ATOM 549 O ASN A 33 8.570 -16.788 4.843 1.00 0.00 O ATOM 550 CB ASN A 33 11.299 -16.806 5.376 1.00 0.00 C ATOM 551 CG ASN A 33 12.812 -16.920 5.395 1.00 0.00 C ATOM 552 OD1 ASN A 33 13.416 -17.405 6.350 1.00 0.00 O ATOM 553 ND2 ASN A 33 13.439 -16.439 4.338 1.00 0.00 N ATOM 0 H ASN A 33 10.404 -17.494 2.872 1.00 0.00 H new ATOM 0 HA ASN A 33 10.948 -18.900 5.442 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.016 -15.953 4.758 1.00 0.00 H new ATOM 0 HB3 ASN A 33 10.947 -16.598 6.387 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.458 -16.462 4.295 1.00 0.00 H new ATOM 0 HD22 ASN A 33 12.905 -16.044 3.564 1.00 0.00 H new ATOM 560 N ARG A 34 8.337 -19.018 5.028 1.00 0.00 N ATOM 561 CA ARG A 34 6.880 -19.054 4.826 1.00 0.00 C ATOM 562 C ARG A 34 6.123 -18.009 5.647 1.00 0.00 C ATOM 563 O ARG A 34 5.157 -17.419 5.159 1.00 0.00 O ATOM 564 CB ARG A 34 6.367 -20.476 5.106 1.00 0.00 C ATOM 565 CG ARG A 34 4.836 -20.593 5.001 1.00 0.00 C ATOM 566 CD ARG A 34 4.407 -22.063 4.988 1.00 0.00 C ATOM 567 NE ARG A 34 2.937 -22.199 4.970 1.00 0.00 N ATOM 568 CZ ARG A 34 2.258 -23.354 4.980 1.00 0.00 C ATOM 569 NH1 ARG A 34 2.904 -24.520 5.010 1.00 0.00 N ATOM 570 NH2 ARG A 34 0.929 -23.340 4.960 1.00 0.00 N ATOM 0 H ARG A 34 8.738 -19.932 5.237 1.00 0.00 H new ATOM 0 HA ARG A 34 6.684 -18.790 3.787 1.00 0.00 H new ATOM 0 HB2 ARG A 34 6.828 -21.168 4.402 1.00 0.00 H new ATOM 0 HB3 ARG A 34 6.682 -20.780 6.104 1.00 0.00 H new ATOM 0 HG2 ARG A 34 4.368 -20.080 5.841 1.00 0.00 H new ATOM 0 HG3 ARG A 34 4.490 -20.100 4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 34 4.830 -22.558 4.114 1.00 0.00 H new ATOM 0 HD3 ARG A 34 4.809 -22.568 5.866 1.00 0.00 H new ATOM 0 HE ARG A 34 2.390 -21.338 4.948 1.00 0.00 H new ATOM 0 HH11 ARG A 34 3.924 -24.538 5.026 1.00 0.00 H new ATOM 0 HH12 ARG A 34 2.378 -25.394 5.017 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.429 -22.451 4.937 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.410 -24.218 4.968 1.00 0.00 H new ATOM 584 N GLU A 35 6.523 -17.783 6.897 1.00 0.00 N ATOM 585 CA GLU A 35 5.847 -16.816 7.747 1.00 0.00 C ATOM 586 C GLU A 35 6.211 -15.380 7.356 1.00 0.00 C ATOM 587 O GLU A 35 5.383 -14.478 7.478 1.00 0.00 O ATOM 588 CB GLU A 35 6.114 -17.102 9.237 1.00 0.00 C ATOM 589 CG GLU A 35 7.564 -16.945 9.735 1.00 0.00 C ATOM 590 CD GLU A 35 8.475 -18.115 9.319 1.00 0.00 C ATOM 591 OE1 GLU A 35 9.008 -18.094 8.185 1.00 0.00 O ATOM 592 OE2 GLU A 35 8.659 -19.061 10.126 1.00 0.00 O ATOM 0 H GLU A 35 7.310 -18.257 7.339 1.00 0.00 H new ATOM 0 HA GLU A 35 4.773 -16.922 7.591 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.481 -16.440 9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 35 5.793 -18.122 9.448 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.977 -16.014 9.346 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.562 -16.863 10.822 1.00 0.00 H new ATOM 599 N ARG A 36 7.424 -15.153 6.842 1.00 0.00 N ATOM 600 CA ARG A 36 7.863 -13.845 6.392 1.00 0.00 C ATOM 601 C ARG A 36 7.316 -13.524 5.004 1.00 0.00 C ATOM 602 O ARG A 36 7.304 -12.350 4.633 1.00 0.00 O ATOM 603 CB ARG A 36 9.382 -13.754 6.430 1.00 0.00 C ATOM 604 CG ARG A 36 9.999 -13.865 7.838 1.00 0.00 C ATOM 605 CD ARG A 36 9.253 -13.068 8.924 1.00 0.00 C ATOM 606 NE ARG A 36 9.938 -13.139 10.227 1.00 0.00 N ATOM 607 CZ ARG A 36 9.415 -12.754 11.402 1.00 0.00 C ATOM 608 NH1 ARG A 36 8.181 -12.256 11.483 1.00 0.00 N ATOM 609 NH2 ARG A 36 10.144 -12.876 12.511 1.00 0.00 N ATOM 0 H ARG A 36 8.128 -15.883 6.729 1.00 0.00 H new ATOM 0 HA ARG A 36 7.463 -13.095 7.074 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.795 -14.544 5.804 1.00 0.00 H new ATOM 0 HB3 ARG A 36 9.687 -12.805 5.988 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.025 -14.915 8.128 1.00 0.00 H new ATOM 0 HG3 ARG A 36 11.032 -13.520 7.797 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.168 -12.026 8.615 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.239 -13.455 9.026 1.00 0.00 H new ATOM 0 HE ARG A 36 10.888 -13.511 10.237 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.613 -12.161 10.641 1.00 0.00 H new ATOM 0 HH12 ARG A 36 7.805 -11.970 12.387 1.00 0.00 H new ATOM 0 HH21 ARG A 36 11.088 -13.258 12.461 1.00 0.00 H new ATOM 0 HH22 ARG A 36 9.758 -12.587 13.410 1.00 0.00 H new ATOM 623 N SER A 37 6.836 -14.514 4.248 1.00 0.00 N ATOM 624 CA SER A 37 6.084 -14.217 3.037 1.00 0.00 C ATOM 625 C SER A 37 4.815 -13.463 3.433 1.00 0.00 C ATOM 626 O SER A 37 4.522 -12.424 2.853 1.00 0.00 O ATOM 627 CB SER A 37 5.723 -15.468 2.219 1.00 0.00 C ATOM 628 OG SER A 37 6.525 -16.593 2.520 1.00 0.00 O ATOM 0 H SER A 37 6.953 -15.507 4.450 1.00 0.00 H new ATOM 0 HA SER A 37 6.719 -13.611 2.391 1.00 0.00 H new ATOM 0 HB2 SER A 37 4.678 -15.719 2.398 1.00 0.00 H new ATOM 0 HB3 SER A 37 5.818 -15.238 1.158 1.00 0.00 H new ATOM 0 HG SER A 37 7.468 -16.327 2.538 1.00 0.00 H new ATOM 634 N GLU A 38 4.077 -13.960 4.433 1.00 0.00 N ATOM 635 CA GLU A 38 2.753 -13.494 4.809 1.00 0.00 C ATOM 636 C GLU A 38 2.721 -11.987 5.093 1.00 0.00 C ATOM 637 O GLU A 38 1.738 -11.325 4.767 1.00 0.00 O ATOM 638 CB GLU A 38 2.276 -14.321 6.010 1.00 0.00 C ATOM 639 CG GLU A 38 0.754 -14.422 6.023 1.00 0.00 C ATOM 640 CD GLU A 38 0.241 -15.179 7.262 1.00 0.00 C ATOM 641 OE1 GLU A 38 0.219 -16.434 7.241 1.00 0.00 O ATOM 642 OE2 GLU A 38 -0.159 -14.525 8.256 1.00 0.00 O ATOM 0 H GLU A 38 4.406 -14.727 5.020 1.00 0.00 H new ATOM 0 HA GLU A 38 2.070 -13.639 3.972 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.712 -15.319 5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.623 -13.862 6.935 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.323 -13.421 6.005 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.416 -14.931 5.120 1.00 0.00 H new ATOM 649 N GLU A 39 3.806 -11.432 5.639 1.00 0.00 N ATOM 650 CA GLU A 39 3.929 -10.024 5.990 1.00 0.00 C ATOM 651 C GLU A 39 3.716 -9.126 4.768 1.00 0.00 C ATOM 652 O GLU A 39 3.132 -8.048 4.883 1.00 0.00 O ATOM 653 CB GLU A 39 5.323 -9.744 6.573 1.00 0.00 C ATOM 654 CG GLU A 39 5.993 -10.855 7.386 1.00 0.00 C ATOM 655 CD GLU A 39 5.411 -11.149 8.780 1.00 0.00 C ATOM 656 OE1 GLU A 39 4.215 -10.880 9.046 1.00 0.00 O ATOM 657 OE2 GLU A 39 6.192 -11.640 9.634 1.00 0.00 O ATOM 0 H GLU A 39 4.645 -11.970 5.853 1.00 0.00 H new ATOM 0 HA GLU A 39 3.161 -9.801 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.986 -9.487 5.747 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.249 -8.862 7.209 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.952 -11.774 6.801 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.046 -10.599 7.506 1.00 0.00 H new ATOM 664 N LEU A 40 4.168 -9.587 3.598 1.00 0.00 N ATOM 665 CA LEU A 40 3.962 -8.919 2.318 1.00 0.00 C ATOM 666 C LEU A 40 2.458 -8.740 2.112 1.00 0.00 C ATOM 667 O LEU A 40 1.965 -7.625 1.931 1.00 0.00 O ATOM 668 CB LEU A 40 4.601 -9.760 1.190 1.00 0.00 C ATOM 669 CG LEU A 40 4.673 -9.168 -0.240 1.00 0.00 C ATOM 670 CD1 LEU A 40 4.212 -10.218 -1.257 1.00 0.00 C ATOM 671 CD2 LEU A 40 3.905 -7.861 -0.460 1.00 0.00 C ATOM 0 H LEU A 40 4.699 -10.454 3.517 1.00 0.00 H new ATOM 0 HA LEU A 40 4.438 -7.938 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.618 -10.003 1.497 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.053 -10.700 1.130 1.00 0.00 H new ATOM 0 HG LEU A 40 5.721 -8.904 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.264 -9.799 -2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.859 -11.093 -1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.185 -10.510 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.025 -7.538 -1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.847 -8.021 -0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.296 -7.093 0.207 1.00 0.00 H new ATOM 683 N PHE A 41 1.726 -9.849 2.172 1.00 0.00 N ATOM 684 CA PHE A 41 0.299 -9.908 1.904 1.00 0.00 C ATOM 685 C PHE A 41 -0.474 -9.083 2.933 1.00 0.00 C ATOM 686 O PHE A 41 -1.437 -8.400 2.581 1.00 0.00 O ATOM 687 CB PHE A 41 -0.160 -11.369 1.864 1.00 0.00 C ATOM 688 CG PHE A 41 0.628 -12.155 0.839 1.00 0.00 C ATOM 689 CD1 PHE A 41 1.864 -12.707 1.210 1.00 0.00 C ATOM 690 CD2 PHE A 41 0.216 -12.212 -0.505 1.00 0.00 C ATOM 691 CE1 PHE A 41 2.692 -13.312 0.253 1.00 0.00 C ATOM 692 CE2 PHE A 41 1.043 -12.825 -1.465 1.00 0.00 C ATOM 693 CZ PHE A 41 2.281 -13.376 -1.090 1.00 0.00 C ATOM 0 H PHE A 41 2.124 -10.756 2.416 1.00 0.00 H new ATOM 0 HA PHE A 41 0.092 -9.470 0.928 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -0.036 -11.820 2.848 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.222 -11.414 1.624 1.00 0.00 H new ATOM 0 HD1 PHE A 41 2.180 -12.666 2.242 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.732 -11.787 -0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 41 3.644 -13.728 0.547 1.00 0.00 H new ATOM 0 HE2 PHE A 41 0.725 -12.872 -2.496 1.00 0.00 H new ATOM 0 HZ PHE A 41 2.913 -13.846 -1.829 1.00 0.00 H new ATOM 703 N TRP A 42 -0.026 -9.081 4.188 1.00 0.00 N ATOM 704 CA TRP A 42 -0.572 -8.204 5.207 1.00 0.00 C ATOM 705 C TRP A 42 -0.389 -6.721 4.857 1.00 0.00 C ATOM 706 O TRP A 42 -1.328 -5.957 5.075 1.00 0.00 O ATOM 707 CB TRP A 42 0.029 -8.549 6.571 1.00 0.00 C ATOM 708 CG TRP A 42 -0.608 -9.741 7.219 1.00 0.00 C ATOM 709 CD1 TRP A 42 -0.044 -10.956 7.384 1.00 0.00 C ATOM 710 CD2 TRP A 42 -1.973 -9.872 7.730 1.00 0.00 C ATOM 711 NE1 TRP A 42 -0.941 -11.817 7.979 1.00 0.00 N ATOM 712 CE2 TRP A 42 -2.160 -11.211 8.194 1.00 0.00 C ATOM 713 CE3 TRP A 42 -3.081 -8.999 7.827 1.00 0.00 C ATOM 714 CZ2 TRP A 42 -3.383 -11.659 8.720 1.00 0.00 C ATOM 715 CZ3 TRP A 42 -4.312 -9.440 8.350 1.00 0.00 C ATOM 716 CH2 TRP A 42 -4.466 -10.767 8.792 1.00 0.00 C ATOM 0 H TRP A 42 0.724 -9.688 4.520 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.648 -8.369 5.254 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.096 -8.736 6.452 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -0.072 -7.688 7.232 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.963 -11.216 7.092 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.729 -12.783 8.229 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.982 -7.976 7.494 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.489 -12.677 9.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -5.144 -8.754 8.412 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -5.415 -11.099 9.186 1.00 0.00 H new ATOM 727 N GLU A 43 0.746 -6.287 4.299 1.00 0.00 N ATOM 728 CA GLU A 43 0.969 -4.882 3.967 1.00 0.00 C ATOM 729 C GLU A 43 0.076 -4.442 2.802 1.00 0.00 C ATOM 730 O GLU A 43 -0.441 -3.325 2.813 1.00 0.00 O ATOM 731 CB GLU A 43 2.448 -4.650 3.625 1.00 0.00 C ATOM 732 CG GLU A 43 3.350 -4.619 4.865 1.00 0.00 C ATOM 733 CD GLU A 43 3.185 -3.307 5.649 1.00 0.00 C ATOM 734 OE1 GLU A 43 3.788 -2.293 5.226 1.00 0.00 O ATOM 735 OE2 GLU A 43 2.472 -3.282 6.680 1.00 0.00 O ATOM 0 H GLU A 43 1.529 -6.898 4.067 1.00 0.00 H new ATOM 0 HA GLU A 43 0.707 -4.279 4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.788 -5.439 2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.548 -3.708 3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 43 3.110 -5.463 5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.391 -4.735 4.562 1.00 0.00 H new ATOM 742 N VAL A 44 -0.144 -5.292 1.797 1.00 0.00 N ATOM 743 CA VAL A 44 -0.999 -4.934 0.682 1.00 0.00 C ATOM 744 C VAL A 44 -2.471 -4.954 1.071 1.00 0.00 C ATOM 745 O VAL A 44 -3.224 -4.072 0.676 1.00 0.00 O ATOM 746 CB VAL A 44 -0.729 -5.836 -0.514 1.00 0.00 C ATOM 747 CG1 VAL A 44 0.666 -5.531 -1.053 1.00 0.00 C ATOM 748 CG2 VAL A 44 -0.793 -7.330 -0.249 1.00 0.00 C ATOM 0 H VAL A 44 0.260 -6.227 1.739 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.759 -3.910 0.395 1.00 0.00 H new ATOM 0 HB VAL A 44 -1.533 -5.615 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.873 -6.171 -1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.717 -4.486 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.406 -5.718 -0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.584 -7.872 -1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.053 -7.598 0.505 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.788 -7.594 0.110 1.00 0.00 H new ATOM 758 N MET A 45 -2.894 -5.937 1.856 1.00 0.00 N ATOM 759 CA MET A 45 -4.228 -5.959 2.408 1.00 0.00 C ATOM 760 C MET A 45 -4.449 -4.730 3.294 1.00 0.00 C ATOM 761 O MET A 45 -5.507 -4.116 3.206 1.00 0.00 O ATOM 762 CB MET A 45 -4.446 -7.290 3.131 1.00 0.00 C ATOM 763 CG MET A 45 -5.776 -7.341 3.878 1.00 0.00 C ATOM 764 SD MET A 45 -7.283 -6.834 2.985 1.00 0.00 S ATOM 765 CE MET A 45 -7.134 -7.728 1.411 1.00 0.00 C ATOM 0 H MET A 45 -2.318 -6.736 2.123 1.00 0.00 H new ATOM 0 HA MET A 45 -4.979 -5.898 1.620 1.00 0.00 H new ATOM 0 HB2 MET A 45 -4.409 -8.103 2.406 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.631 -7.454 3.836 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.923 -8.363 4.227 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.685 -6.712 4.763 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.120 -8.062 1.087 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.709 -7.067 0.656 1.00 0.00 H new ATOM 0 HE3 MET A 45 -6.484 -8.593 1.544 1.00 0.00 H new ATOM 775 N ASP A 46 -3.463 -4.299 4.086 1.00 0.00 N ATOM 776 CA ASP A 46 -3.563 -3.072 4.873 1.00 0.00 C ATOM 777 C ASP A 46 -3.841 -1.851 3.985 1.00 0.00 C ATOM 778 O ASP A 46 -4.671 -1.009 4.337 1.00 0.00 O ATOM 779 CB ASP A 46 -2.290 -2.841 5.684 1.00 0.00 C ATOM 780 CG ASP A 46 -2.390 -1.519 6.462 1.00 0.00 C ATOM 781 OD1 ASP A 46 -3.105 -1.479 7.493 1.00 0.00 O ATOM 782 OD2 ASP A 46 -1.738 -0.525 6.062 1.00 0.00 O ATOM 0 H ASP A 46 -2.577 -4.791 4.198 1.00 0.00 H new ATOM 0 HA ASP A 46 -4.403 -3.197 5.556 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.136 -3.668 6.377 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -1.426 -2.816 5.020 1.00 0.00 H new ATOM 787 N GLU A 47 -3.217 -1.795 2.804 1.00 0.00 N ATOM 788 CA GLU A 47 -3.438 -0.784 1.780 1.00 0.00 C ATOM 789 C GLU A 47 -4.881 -0.777 1.222 1.00 0.00 C ATOM 790 O GLU A 47 -5.239 0.138 0.475 1.00 0.00 O ATOM 791 CB GLU A 47 -2.413 -1.007 0.649 1.00 0.00 C ATOM 792 CG GLU A 47 -1.261 -0.005 0.624 1.00 0.00 C ATOM 793 CD GLU A 47 -1.720 1.436 0.328 1.00 0.00 C ATOM 794 OE1 GLU A 47 -1.848 1.807 -0.863 1.00 0.00 O ATOM 795 OE2 GLU A 47 -1.927 2.221 1.286 1.00 0.00 O ATOM 0 H GLU A 47 -2.516 -2.484 2.530 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.301 0.195 2.238 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.001 -2.012 0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.933 -0.965 -0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.748 -0.026 1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.537 -0.312 -0.131 1.00 0.00 H new ATOM 802 N VAL A 48 -5.714 -1.758 1.582 1.00 0.00 N ATOM 803 CA VAL A 48 -7.075 -1.950 1.075 1.00 0.00 C ATOM 804 C VAL A 48 -8.073 -2.128 2.235 1.00 0.00 C ATOM 805 O VAL A 48 -9.279 -2.081 2.005 1.00 0.00 O ATOM 806 CB VAL A 48 -7.103 -3.156 0.093 1.00 0.00 C ATOM 807 CG1 VAL A 48 -8.424 -3.267 -0.689 1.00 0.00 C ATOM 808 CG2 VAL A 48 -6.015 -3.120 -0.996 1.00 0.00 C ATOM 0 H VAL A 48 -5.447 -2.469 2.263 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.383 -1.060 0.527 1.00 0.00 H new ATOM 0 HB VAL A 48 -6.948 -3.997 0.769 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.380 -4.128 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.251 -3.391 0.010 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.577 -2.361 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.110 -3.998 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.133 -2.219 -1.598 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.031 -3.117 -0.527 1.00 0.00 H new ATOM 818 N HIS A 49 -7.612 -2.313 3.478 1.00 0.00 N ATOM 819 CA HIS A 49 -8.426 -2.926 4.520 1.00 0.00 C ATOM 820 C HIS A 49 -9.725 -2.168 4.835 1.00 0.00 C ATOM 821 O HIS A 49 -10.723 -2.800 5.182 1.00 0.00 O ATOM 822 CB HIS A 49 -7.598 -3.166 5.788 1.00 0.00 C ATOM 823 CG HIS A 49 -8.263 -4.123 6.747 1.00 0.00 C ATOM 824 ND1 HIS A 49 -8.529 -3.911 8.082 1.00 0.00 N ATOM 825 CD2 HIS A 49 -8.741 -5.366 6.432 1.00 0.00 C ATOM 826 CE1 HIS A 49 -9.148 -5.008 8.555 1.00 0.00 C ATOM 827 NE2 HIS A 49 -9.304 -5.930 7.584 1.00 0.00 N ATOM 0 H HIS A 49 -6.676 -2.044 3.781 1.00 0.00 H new ATOM 0 HA HIS A 49 -8.747 -3.887 4.118 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.620 -3.559 5.509 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -7.428 -2.214 6.291 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -8.692 -5.833 5.459 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -9.476 -5.133 9.576 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -9.741 -6.848 7.670 1.00 0.00 H new ATOM 835 N GLU A 50 -9.753 -0.841 4.667 1.00 0.00 N ATOM 836 CA GLU A 50 -10.953 -0.030 4.890 1.00 0.00 C ATOM 837 C GLU A 50 -12.119 -0.430 3.962 1.00 0.00 C ATOM 838 O GLU A 50 -13.271 -0.087 4.238 1.00 0.00 O ATOM 839 CB GLU A 50 -10.629 1.463 4.717 1.00 0.00 C ATOM 840 CG GLU A 50 -9.640 1.983 5.771 1.00 0.00 C ATOM 841 CD GLU A 50 -9.435 3.505 5.649 1.00 0.00 C ATOM 842 OE1 GLU A 50 -8.561 3.943 4.861 1.00 0.00 O ATOM 843 OE2 GLU A 50 -10.131 4.280 6.351 1.00 0.00 O ATOM 0 H GLU A 50 -8.941 -0.299 4.372 1.00 0.00 H new ATOM 0 HA GLU A 50 -11.277 -0.217 5.914 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.213 1.627 3.723 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.552 2.040 4.776 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.009 1.743 6.768 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.682 1.475 5.655 1.00 0.00 H new ATOM 850 N GLU A 51 -11.843 -1.167 2.885 1.00 0.00 N ATOM 851 CA GLU A 51 -12.806 -1.646 1.899 1.00 0.00 C ATOM 852 C GLU A 51 -12.923 -3.185 1.946 1.00 0.00 C ATOM 853 O GLU A 51 -13.572 -3.783 1.082 1.00 0.00 O ATOM 854 CB GLU A 51 -12.390 -1.139 0.509 1.00 0.00 C ATOM 855 CG GLU A 51 -12.573 0.379 0.402 1.00 0.00 C ATOM 856 CD GLU A 51 -12.074 0.894 -0.955 1.00 0.00 C ATOM 857 OE1 GLU A 51 -12.829 0.833 -1.954 1.00 0.00 O ATOM 858 OE2 GLU A 51 -10.899 1.316 -1.064 1.00 0.00 O ATOM 0 H GLU A 51 -10.890 -1.460 2.668 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.797 -1.254 2.129 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.348 -1.398 0.320 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.986 -1.636 -0.257 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -13.626 0.633 0.528 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -12.028 0.873 1.206 1.00 0.00 H new ATOM 865 N GLU A 52 -12.307 -3.833 2.941 1.00 0.00 N ATOM 866 CA GLU A 52 -12.202 -5.288 3.061 1.00 0.00 C ATOM 867 C GLU A 52 -12.591 -5.775 4.459 1.00 0.00 C ATOM 868 O GLU A 52 -12.904 -6.953 4.620 1.00 0.00 O ATOM 869 CB GLU A 52 -10.776 -5.734 2.746 1.00 0.00 C ATOM 870 CG GLU A 52 -10.443 -5.652 1.253 1.00 0.00 C ATOM 871 CD GLU A 52 -10.859 -6.884 0.422 1.00 0.00 C ATOM 872 OE1 GLU A 52 -11.745 -7.668 0.832 1.00 0.00 O ATOM 873 OE2 GLU A 52 -10.270 -7.084 -0.668 1.00 0.00 O ATOM 0 H GLU A 52 -11.853 -3.340 3.710 1.00 0.00 H new ATOM 0 HA GLU A 52 -12.898 -5.727 2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.075 -5.114 3.304 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.637 -6.759 3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.929 -4.770 0.836 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.369 -5.505 1.144 1.00 0.00 H new ATOM 880 N GLU A 53 -12.631 -4.901 5.470 1.00 0.00 N ATOM 881 CA GLU A 53 -12.969 -5.258 6.850 1.00 0.00 C ATOM 882 C GLU A 53 -14.367 -5.897 7.000 1.00 0.00 C ATOM 883 O GLU A 53 -14.638 -6.554 8.009 1.00 0.00 O ATOM 884 CB GLU A 53 -12.805 -4.030 7.766 1.00 0.00 C ATOM 885 CG GLU A 53 -13.730 -2.852 7.418 1.00 0.00 C ATOM 886 CD GLU A 53 -13.597 -1.717 8.451 1.00 0.00 C ATOM 887 OE1 GLU A 53 -12.742 -0.815 8.274 1.00 0.00 O ATOM 888 OE2 GLU A 53 -14.365 -1.710 9.446 1.00 0.00 O ATOM 0 H GLU A 53 -12.426 -3.909 5.349 1.00 0.00 H new ATOM 0 HA GLU A 53 -12.267 -6.033 7.159 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -12.993 -4.332 8.796 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -11.770 -3.691 7.717 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -13.485 -2.475 6.425 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -14.764 -3.196 7.382 1.00 0.00 H new ATOM 895 N PHE A 54 -15.237 -5.750 5.992 1.00 0.00 N ATOM 896 CA PHE A 54 -16.584 -6.316 5.931 1.00 0.00 C ATOM 897 C PHE A 54 -16.683 -7.462 4.905 1.00 0.00 C ATOM 898 O PHE A 54 -17.780 -7.968 4.659 1.00 0.00 O ATOM 899 CB PHE A 54 -17.584 -5.185 5.633 1.00 0.00 C ATOM 900 CG PHE A 54 -17.261 -4.362 4.396 1.00 0.00 C ATOM 901 CD1 PHE A 54 -17.615 -4.827 3.113 1.00 0.00 C ATOM 902 CD2 PHE A 54 -16.587 -3.132 4.527 1.00 0.00 C ATOM 903 CE1 PHE A 54 -17.290 -4.072 1.972 1.00 0.00 C ATOM 904 CE2 PHE A 54 -16.268 -2.375 3.387 1.00 0.00 C ATOM 905 CZ PHE A 54 -16.615 -2.846 2.107 1.00 0.00 C ATOM 0 H PHE A 54 -15.006 -5.207 5.160 1.00 0.00 H new ATOM 0 HA PHE A 54 -16.828 -6.762 6.895 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -18.577 -5.618 5.516 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -17.626 -4.519 6.495 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -18.137 -5.766 3.006 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -16.314 -2.770 5.507 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -17.559 -4.434 0.991 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -15.756 -1.430 3.493 1.00 0.00 H new ATOM 0 HZ PHE A 54 -16.363 -2.267 1.231 1.00 0.00 H new ATOM 915 N ALA A 55 -15.562 -7.878 4.306 1.00 0.00 N ATOM 916 CA ALA A 55 -15.481 -8.925 3.286 1.00 0.00 C ATOM 917 C ALA A 55 -14.353 -9.929 3.554 1.00 0.00 C ATOM 918 O ALA A 55 -14.253 -10.934 2.847 1.00 0.00 O ATOM 919 CB ALA A 55 -15.335 -8.279 1.904 1.00 0.00 C ATOM 0 H ALA A 55 -14.651 -7.477 4.529 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.406 -9.500 3.322 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.275 -9.057 1.143 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.199 -7.644 1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.428 -7.675 1.879 1.00 0.00 H new ATOM 925 N VAL A 56 -13.545 -9.714 4.592 1.00 0.00 N ATOM 926 CA VAL A 56 -12.585 -10.674 5.107 1.00 0.00 C ATOM 927 C VAL A 56 -13.313 -11.784 5.890 1.00 0.00 C ATOM 928 O VAL A 56 -13.248 -11.898 7.114 1.00 0.00 O ATOM 929 CB VAL A 56 -11.433 -9.936 5.822 1.00 0.00 C ATOM 930 CG1 VAL A 56 -11.848 -9.095 7.036 1.00 0.00 C ATOM 931 CG2 VAL A 56 -10.350 -10.947 6.196 1.00 0.00 C ATOM 0 H VAL A 56 -13.545 -8.836 5.111 1.00 0.00 H new ATOM 0 HA VAL A 56 -12.083 -11.218 4.307 1.00 0.00 H new ATOM 0 HB VAL A 56 -11.051 -9.203 5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -10.967 -8.618 7.466 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.558 -8.330 6.723 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.314 -9.739 7.782 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -9.532 -10.434 6.702 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.771 -11.702 6.860 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.974 -11.428 5.293 1.00 0.00 H new ATOM 941 N GLU A 57 -14.081 -12.576 5.148 1.00 0.00 N ATOM 942 CA GLU A 57 -14.997 -13.586 5.656 1.00 0.00 C ATOM 943 C GLU A 57 -15.316 -14.565 4.509 1.00 0.00 C ATOM 944 O GLU A 57 -16.458 -14.992 4.313 1.00 0.00 O ATOM 945 CB GLU A 57 -16.229 -12.888 6.263 1.00 0.00 C ATOM 946 CG GLU A 57 -16.836 -11.787 5.379 1.00 0.00 C ATOM 947 CD GLU A 57 -18.276 -11.458 5.806 1.00 0.00 C ATOM 948 OE1 GLU A 57 -18.467 -10.728 6.809 1.00 0.00 O ATOM 949 OE2 GLU A 57 -19.238 -11.926 5.153 1.00 0.00 O ATOM 0 H GLU A 57 -14.080 -12.527 4.129 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.562 -14.176 6.462 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -16.994 -13.638 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.949 -12.453 7.222 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.222 -10.889 5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.828 -12.108 4.337 1.00 0.00 H new ATOM 956 N GLY A 58 -14.292 -14.879 3.709 1.00 0.00 N ATOM 957 CA GLY A 58 -14.372 -15.697 2.506 1.00 0.00 C ATOM 958 C GLY A 58 -13.000 -16.289 2.176 1.00 0.00 C ATOM 959 O GLY A 58 -12.058 -16.145 2.968 1.00 0.00 O ATOM 0 H GLY A 58 -13.344 -14.552 3.896 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -15.097 -16.498 2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -14.726 -15.094 1.670 1.00 0.00 H new ATOM 963 N PRO A 59 -12.879 -16.980 1.032 1.00 0.00 N ATOM 964 CA PRO A 59 -11.642 -17.619 0.600 1.00 0.00 C ATOM 965 C PRO A 59 -10.575 -16.579 0.212 1.00 0.00 C ATOM 966 O PRO A 59 -10.844 -15.378 0.141 1.00 0.00 O ATOM 967 CB PRO A 59 -12.050 -18.515 -0.574 1.00 0.00 C ATOM 968 CG PRO A 59 -13.259 -17.798 -1.164 1.00 0.00 C ATOM 969 CD PRO A 59 -13.933 -17.181 0.051 1.00 0.00 C ATOM 0 HA PRO A 59 -11.177 -18.202 1.395 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -11.246 -18.613 -1.303 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.303 -19.522 -0.242 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.962 -17.038 -1.887 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -13.922 -18.490 -1.683 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -14.413 -16.237 -0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -14.710 -17.837 0.442 1.00 0.00 H new ATOM 977 N LEU A 60 -9.365 -17.053 -0.087 1.00 0.00 N ATOM 978 CA LEU A 60 -8.256 -16.250 -0.600 1.00 0.00 C ATOM 979 C LEU A 60 -7.453 -17.115 -1.566 1.00 0.00 C ATOM 980 O LEU A 60 -7.332 -18.328 -1.361 1.00 0.00 O ATOM 981 CB LEU A 60 -7.353 -15.797 0.559 1.00 0.00 C ATOM 982 CG LEU A 60 -6.193 -14.856 0.165 1.00 0.00 C ATOM 983 CD1 LEU A 60 -6.667 -13.567 -0.524 1.00 0.00 C ATOM 984 CD2 LEU A 60 -5.394 -14.482 1.414 1.00 0.00 C ATOM 0 H LEU A 60 -9.123 -18.037 0.025 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.639 -15.365 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.970 -15.294 1.303 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.934 -16.682 1.038 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.577 -15.400 -0.551 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.804 -12.950 -0.775 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.210 -13.820 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.324 -13.015 0.148 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.575 -13.818 1.137 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -6.047 -13.976 2.125 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.990 -15.385 1.871 1.00 0.00 H new ATOM 996 N TRP A 61 -6.877 -16.481 -2.585 1.00 0.00 N ATOM 997 CA TRP A 61 -6.150 -17.125 -3.662 1.00 0.00 C ATOM 998 C TRP A 61 -4.985 -16.215 -4.049 1.00 0.00 C ATOM 999 O TRP A 61 -5.137 -14.995 -3.987 1.00 0.00 O ATOM 1000 CB TRP A 61 -7.110 -17.256 -4.844 1.00 0.00 C ATOM 1001 CG TRP A 61 -8.304 -18.139 -4.649 1.00 0.00 C ATOM 1002 CD1 TRP A 61 -9.517 -17.746 -4.203 1.00 0.00 C ATOM 1003 CD2 TRP A 61 -8.419 -19.564 -4.912 1.00 0.00 C ATOM 1004 NE1 TRP A 61 -10.371 -18.834 -4.161 1.00 0.00 N ATOM 1005 CE2 TRP A 61 -9.738 -19.988 -4.582 1.00 0.00 C ATOM 1006 CE3 TRP A 61 -7.525 -20.530 -5.406 1.00 0.00 C ATOM 1007 CZ2 TRP A 61 -10.143 -21.323 -4.722 1.00 0.00 C ATOM 1008 CZ3 TRP A 61 -7.918 -21.876 -5.552 1.00 0.00 C ATOM 1009 CH2 TRP A 61 -9.225 -22.272 -5.209 1.00 0.00 C ATOM 0 H TRP A 61 -6.909 -15.466 -2.681 1.00 0.00 H new ATOM 0 HA TRP A 61 -5.773 -18.105 -3.370 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -7.464 -16.259 -5.106 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -6.547 -17.630 -5.699 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.780 -16.737 -3.922 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -11.344 -18.790 -3.858 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -6.522 -20.236 -5.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -11.148 -21.620 -4.459 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -7.215 -22.605 -5.928 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -9.523 -23.304 -5.320 1.00 0.00 H new ATOM 1020 N ILE A 62 -3.848 -16.774 -4.474 1.00 0.00 N ATOM 1021 CA ILE A 62 -2.620 -16.024 -4.747 1.00 0.00 C ATOM 1022 C ILE A 62 -1.984 -16.605 -6.025 1.00 0.00 C ATOM 1023 O ILE A 62 -1.948 -17.828 -6.187 1.00 0.00 O ATOM 1024 CB ILE A 62 -1.618 -16.155 -3.560 1.00 0.00 C ATOM 1025 CG1 ILE A 62 -2.187 -16.176 -2.118 1.00 0.00 C ATOM 1026 CG2 ILE A 62 -0.538 -15.066 -3.653 1.00 0.00 C ATOM 1027 CD1 ILE A 62 -2.699 -14.844 -1.554 1.00 0.00 C ATOM 0 H ILE A 62 -3.754 -17.776 -4.640 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.856 -14.968 -4.876 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.222 -17.161 -3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.006 -16.895 -2.087 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.409 -16.550 -1.452 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.155 -15.169 -2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.006 -15.172 -4.592 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.008 -14.083 -3.615 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.069 -14.996 -0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.885 -14.119 -1.538 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.507 -14.469 -2.183 1.00 0.00 H new ATOM 1039 N GLN A 63 -1.428 -15.751 -6.892 1.00 0.00 N ATOM 1040 CA GLN A 63 -0.459 -16.127 -7.927 1.00 0.00 C ATOM 1041 C GLN A 63 0.575 -14.998 -8.101 1.00 0.00 C ATOM 1042 O GLN A 63 0.401 -13.905 -7.563 1.00 0.00 O ATOM 1043 CB GLN A 63 -1.188 -16.512 -9.233 1.00 0.00 C ATOM 1044 CG GLN A 63 -1.928 -15.346 -9.906 1.00 0.00 C ATOM 1045 CD GLN A 63 -2.740 -15.803 -11.121 1.00 0.00 C ATOM 1046 OE1 GLN A 63 -3.939 -16.052 -11.027 1.00 0.00 O ATOM 1047 NE2 GLN A 63 -2.119 -15.919 -12.288 1.00 0.00 N ATOM 0 H GLN A 63 -1.645 -14.754 -6.893 1.00 0.00 H new ATOM 0 HA GLN A 63 0.095 -17.015 -7.623 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -0.461 -16.921 -9.935 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.903 -17.306 -9.017 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -2.593 -14.874 -9.183 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -1.206 -14.590 -10.216 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.123 -15.711 -12.359 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -2.638 -16.217 -13.114 1.00 0.00 H new ATOM 1056 N VAL A 64 1.661 -15.239 -8.844 1.00 0.00 N ATOM 1057 CA VAL A 64 2.815 -14.332 -8.901 1.00 0.00 C ATOM 1058 C VAL A 64 3.446 -14.372 -10.305 1.00 0.00 C ATOM 1059 O VAL A 64 3.187 -15.297 -11.079 1.00 0.00 O ATOM 1060 CB VAL A 64 3.782 -14.708 -7.753 1.00 0.00 C ATOM 1061 CG1 VAL A 64 4.418 -16.098 -7.913 1.00 0.00 C ATOM 1062 CG2 VAL A 64 4.881 -13.665 -7.524 1.00 0.00 C ATOM 0 H VAL A 64 1.765 -16.071 -9.425 1.00 0.00 H new ATOM 0 HA VAL A 64 2.523 -13.293 -8.747 1.00 0.00 H new ATOM 0 HB VAL A 64 3.141 -14.732 -6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.083 -16.293 -7.072 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.635 -16.856 -7.939 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.988 -16.133 -8.842 1.00 0.00 H new ATOM 0 HG21 VAL A 64 5.525 -13.988 -6.706 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.474 -13.556 -8.432 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.427 -12.707 -7.271 1.00 0.00 H new ATOM 1072 N GLN A 65 4.259 -13.374 -10.648 1.00 0.00 N ATOM 1073 CA GLN A 65 5.237 -13.380 -11.728 1.00 0.00 C ATOM 1074 C GLN A 65 6.511 -12.798 -11.131 1.00 0.00 C ATOM 1075 O GLN A 65 6.426 -11.881 -10.319 1.00 0.00 O ATOM 1076 CB GLN A 65 4.820 -12.456 -12.887 1.00 0.00 C ATOM 1077 CG GLN A 65 3.672 -12.975 -13.749 1.00 0.00 C ATOM 1078 CD GLN A 65 2.295 -12.481 -13.303 1.00 0.00 C ATOM 1079 OE1 GLN A 65 1.853 -11.395 -13.662 1.00 0.00 O ATOM 1080 NE2 GLN A 65 1.580 -13.287 -12.536 1.00 0.00 N ATOM 0 H GLN A 65 4.249 -12.486 -10.146 1.00 0.00 H new ATOM 0 HA GLN A 65 5.345 -14.392 -12.118 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.535 -11.488 -12.475 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.686 -12.288 -13.527 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.840 -12.672 -14.782 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.680 -14.065 -13.731 1.00 0.00 H new ATOM 0 HE21 GLN A 65 1.962 -14.187 -12.246 1.00 0.00 H new ATOM 0 HE22 GLN A 65 0.646 -13.009 -12.234 1.00 0.00 H new ATOM 1089 N ALA A 66 7.676 -13.241 -11.596 1.00 0.00 N ATOM 1090 CA ALA A 66 8.938 -12.574 -11.323 1.00 0.00 C ATOM 1091 C ALA A 66 9.396 -11.938 -12.636 1.00 0.00 C ATOM 1092 O ALA A 66 9.385 -12.584 -13.690 1.00 0.00 O ATOM 1093 CB ALA A 66 9.937 -13.571 -10.723 1.00 0.00 C ATOM 0 H ALA A 66 7.768 -14.076 -12.175 1.00 0.00 H new ATOM 0 HA ALA A 66 8.844 -11.785 -10.577 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.880 -13.064 -10.521 1.00 0.00 H new ATOM 0 HB2 ALA A 66 9.535 -13.974 -9.793 1.00 0.00 H new ATOM 0 HB3 ALA A 66 10.106 -14.385 -11.428 1.00 0.00 H new ATOM 1099 N LEU A 67 9.729 -10.653 -12.569 1.00 0.00 N ATOM 1100 CA LEU A 67 10.004 -9.748 -13.677 1.00 0.00 C ATOM 1101 C LEU A 67 11.447 -9.239 -13.531 1.00 0.00 C ATOM 1102 O LEU A 67 12.175 -9.671 -12.635 1.00 0.00 O ATOM 1103 CB LEU A 67 8.968 -8.604 -13.658 1.00 0.00 C ATOM 1104 CG LEU A 67 7.521 -9.080 -13.932 1.00 0.00 C ATOM 1105 CD1 LEU A 67 6.729 -9.291 -12.653 1.00 0.00 C ATOM 1106 CD2 LEU A 67 6.763 -8.057 -14.777 1.00 0.00 C ATOM 0 H LEU A 67 9.820 -10.182 -11.669 1.00 0.00 H new ATOM 0 HA LEU A 67 9.916 -10.249 -14.641 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.002 -8.109 -12.687 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.245 -7.860 -14.405 1.00 0.00 H new ATOM 0 HG LEU A 67 7.614 -10.029 -14.460 1.00 0.00 H new ATOM 0 HD11 LEU A 67 5.721 -9.624 -12.900 1.00 0.00 H new ATOM 0 HD12 LEU A 67 7.221 -10.046 -12.041 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.676 -8.354 -12.099 1.00 0.00 H new ATOM 0 HD21 LEU A 67 5.749 -8.413 -14.957 1.00 0.00 H new ATOM 0 HD22 LEU A 67 6.725 -7.105 -14.248 1.00 0.00 H new ATOM 0 HD23 LEU A 67 7.274 -7.922 -15.730 1.00 0.00 H new ATOM 1118 N ASP A 68 11.889 -8.349 -14.426 1.00 0.00 N ATOM 1119 CA ASP A 68 13.316 -8.041 -14.581 1.00 0.00 C ATOM 1120 C ASP A 68 13.966 -7.449 -13.325 1.00 0.00 C ATOM 1121 O ASP A 68 15.124 -7.768 -13.045 1.00 0.00 O ATOM 1122 CB ASP A 68 13.541 -7.119 -15.785 1.00 0.00 C ATOM 1123 CG ASP A 68 15.045 -6.974 -16.080 1.00 0.00 C ATOM 1124 OD1 ASP A 68 15.671 -7.954 -16.552 1.00 0.00 O ATOM 1125 OD2 ASP A 68 15.618 -5.884 -15.848 1.00 0.00 O ATOM 0 H ASP A 68 11.278 -7.828 -15.055 1.00 0.00 H new ATOM 0 HA ASP A 68 13.810 -8.998 -14.753 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.030 -7.522 -16.659 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.107 -6.139 -15.586 1.00 0.00 H new ATOM 1130 N LYS A 69 13.239 -6.616 -12.555 1.00 0.00 N ATOM 1131 CA LYS A 69 13.725 -5.993 -11.307 1.00 0.00 C ATOM 1132 C LYS A 69 12.636 -5.941 -10.226 1.00 0.00 C ATOM 1133 O LYS A 69 12.636 -5.058 -9.364 1.00 0.00 O ATOM 1134 CB LYS A 69 14.309 -4.593 -11.574 1.00 0.00 C ATOM 1135 CG LYS A 69 15.509 -4.553 -12.526 1.00 0.00 C ATOM 1136 CD LYS A 69 16.782 -5.190 -11.936 1.00 0.00 C ATOM 1137 CE LYS A 69 17.950 -5.169 -12.934 1.00 0.00 C ATOM 1138 NZ LYS A 69 17.751 -6.112 -14.066 1.00 0.00 N ATOM 0 H LYS A 69 12.281 -6.352 -12.786 1.00 0.00 H new ATOM 0 HA LYS A 69 14.526 -6.626 -10.925 1.00 0.00 H new ATOM 0 HB2 LYS A 69 13.521 -3.961 -11.983 1.00 0.00 H new ATOM 0 HB3 LYS A 69 14.607 -4.154 -10.622 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.248 -5.070 -13.449 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.719 -3.516 -12.790 1.00 0.00 H new ATOM 0 HD2 LYS A 69 17.069 -4.655 -11.030 1.00 0.00 H new ATOM 0 HD3 LYS A 69 16.571 -6.219 -11.645 1.00 0.00 H new ATOM 0 HE2 LYS A 69 18.071 -4.159 -13.325 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.873 -5.422 -12.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 18.609 -6.134 -14.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 17.561 -7.065 -13.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.944 -5.797 -14.642 1.00 0.00 H new ATOM 1152 N GLY A 70 11.671 -6.854 -10.278 1.00 0.00 N ATOM 1153 CA GLY A 70 10.523 -6.842 -9.385 1.00 0.00 C ATOM 1154 C GLY A 70 9.668 -8.072 -9.617 1.00 0.00 C ATOM 1155 O GLY A 70 10.057 -8.968 -10.362 1.00 0.00 O ATOM 0 H GLY A 70 11.666 -7.626 -10.945 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.859 -6.814 -8.349 1.00 0.00 H new ATOM 0 HA3 GLY A 70 9.932 -5.942 -9.553 1.00 0.00 H new ATOM 1159 N LEU A 71 8.494 -8.116 -9.001 1.00 0.00 N ATOM 1160 CA LEU A 71 7.513 -9.187 -9.137 1.00 0.00 C ATOM 1161 C LEU A 71 6.135 -8.554 -9.253 1.00 0.00 C ATOM 1162 O LEU A 71 5.876 -7.540 -8.606 1.00 0.00 O ATOM 1163 CB LEU A 71 7.541 -10.127 -7.913 1.00 0.00 C ATOM 1164 CG LEU A 71 8.901 -10.820 -7.700 1.00 0.00 C ATOM 1165 CD1 LEU A 71 9.579 -10.221 -6.463 1.00 0.00 C ATOM 1166 CD2 LEU A 71 8.780 -12.334 -7.551 1.00 0.00 C ATOM 0 H LEU A 71 8.186 -7.378 -8.368 1.00 0.00 H new ATOM 0 HA LEU A 71 7.748 -9.778 -10.022 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.290 -9.555 -7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 71 6.769 -10.888 -8.031 1.00 0.00 H new ATOM 0 HG LEU A 71 9.504 -10.644 -8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 71 10.542 -10.706 -6.305 1.00 0.00 H new ATOM 0 HD12 LEU A 71 9.731 -9.152 -6.613 1.00 0.00 H new ATOM 0 HD13 LEU A 71 8.946 -10.378 -5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.770 -12.765 -7.404 1.00 0.00 H new ATOM 0 HD22 LEU A 71 8.152 -12.566 -6.691 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.332 -12.754 -8.452 1.00 0.00 H new ATOM 1178 N GLU A 72 5.241 -9.145 -10.042 1.00 0.00 N ATOM 1179 CA GLU A 72 3.814 -8.865 -9.920 1.00 0.00 C ATOM 1180 C GLU A 72 3.224 -9.960 -9.052 1.00 0.00 C ATOM 1181 O GLU A 72 3.583 -11.128 -9.199 1.00 0.00 O ATOM 1182 CB GLU A 72 3.067 -8.834 -11.264 1.00 0.00 C ATOM 1183 CG GLU A 72 3.236 -7.524 -12.039 1.00 0.00 C ATOM 1184 CD GLU A 72 2.325 -7.487 -13.280 1.00 0.00 C ATOM 1185 OE1 GLU A 72 1.109 -7.222 -13.126 1.00 0.00 O ATOM 1186 OE2 GLU A 72 2.824 -7.677 -14.415 1.00 0.00 O ATOM 0 H GLU A 72 5.479 -9.818 -10.770 1.00 0.00 H new ATOM 0 HA GLU A 72 3.699 -7.870 -9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 72 3.419 -9.659 -11.883 1.00 0.00 H new ATOM 0 HB3 GLU A 72 2.006 -9.003 -11.082 1.00 0.00 H new ATOM 0 HG2 GLU A 72 3.002 -6.681 -11.388 1.00 0.00 H new ATOM 0 HG3 GLU A 72 4.276 -7.412 -12.345 1.00 0.00 H new ATOM 1193 N ILE A 73 2.301 -9.600 -8.171 1.00 0.00 N ATOM 1194 CA ILE A 73 1.587 -10.526 -7.326 1.00 0.00 C ATOM 1195 C ILE A 73 0.114 -10.209 -7.575 1.00 0.00 C ATOM 1196 O ILE A 73 -0.291 -9.050 -7.494 1.00 0.00 O ATOM 1197 CB ILE A 73 1.975 -10.343 -5.843 1.00 0.00 C ATOM 1198 CG1 ILE A 73 3.460 -10.482 -5.415 1.00 0.00 C ATOM 1199 CG2 ILE A 73 1.176 -11.338 -4.980 1.00 0.00 C ATOM 1200 CD1 ILE A 73 4.459 -9.472 -5.982 1.00 0.00 C ATOM 0 H ILE A 73 2.026 -8.628 -8.026 1.00 0.00 H new ATOM 0 HA ILE A 73 1.822 -11.566 -7.554 1.00 0.00 H new ATOM 0 HB ILE A 73 1.744 -9.289 -5.689 1.00 0.00 H new ATOM 0 HG12 ILE A 73 3.503 -10.422 -4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.798 -11.480 -5.693 1.00 0.00 H new ATOM 0 HG21 ILE A 73 1.448 -11.211 -3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 73 0.109 -11.151 -5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.405 -12.357 -5.293 1.00 0.00 H new ATOM 0 HD11 ILE A 73 5.455 -9.691 -5.598 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.467 -9.539 -7.070 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.168 -8.465 -5.683 1.00 0.00 H new ATOM 1212 N ILE A 74 -0.684 -11.219 -7.896 1.00 0.00 N ATOM 1213 CA ILE A 74 -2.118 -11.102 -8.151 1.00 0.00 C ATOM 1214 C ILE A 74 -2.762 -11.939 -7.045 1.00 0.00 C ATOM 1215 O ILE A 74 -2.326 -13.066 -6.810 1.00 0.00 O ATOM 1216 CB ILE A 74 -2.461 -11.636 -9.566 1.00 0.00 C ATOM 1217 CG1 ILE A 74 -1.965 -10.804 -10.769 1.00 0.00 C ATOM 1218 CG2 ILE A 74 -3.984 -11.785 -9.750 1.00 0.00 C ATOM 1219 CD1 ILE A 74 -0.454 -10.593 -10.893 1.00 0.00 C ATOM 0 H ILE A 74 -0.342 -12.175 -7.990 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.477 -10.073 -8.135 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.923 -12.584 -9.583 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.316 -11.286 -11.682 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.441 -9.825 -10.723 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.194 -12.161 -10.751 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -4.373 -12.485 -9.010 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.463 -10.815 -9.619 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.242 -9.994 -11.778 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.085 -10.075 -10.008 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.042 -11.559 -10.981 1.00 0.00 H new ATOM 1231 N VAL A 75 -3.806 -11.436 -6.386 1.00 0.00 N ATOM 1232 CA VAL A 75 -4.516 -12.179 -5.357 1.00 0.00 C ATOM 1233 C VAL A 75 -6.008 -12.069 -5.654 1.00 0.00 C ATOM 1234 O VAL A 75 -6.489 -10.997 -6.026 1.00 0.00 O ATOM 1235 CB VAL A 75 -4.061 -11.765 -3.936 1.00 0.00 C ATOM 1236 CG1 VAL A 75 -2.532 -11.647 -3.800 1.00 0.00 C ATOM 1237 CG2 VAL A 75 -4.612 -10.424 -3.487 1.00 0.00 C ATOM 0 H VAL A 75 -4.180 -10.502 -6.554 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.271 -13.241 -5.376 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.452 -12.571 -3.315 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.279 -11.354 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.071 -12.609 -4.026 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -2.162 -10.895 -4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.251 -10.200 -2.483 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -4.280 -9.646 -4.174 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.701 -10.462 -3.481 1.00 0.00 H new ATOM 1247 N THR A 76 -6.736 -13.182 -5.570 1.00 0.00 N ATOM 1248 CA THR A 76 -8.048 -13.322 -6.193 1.00 0.00 C ATOM 1249 C THR A 76 -9.050 -13.798 -5.133 1.00 0.00 C ATOM 1250 O THR A 76 -8.652 -14.320 -4.087 1.00 0.00 O ATOM 1251 CB THR A 76 -7.960 -14.205 -7.472 1.00 0.00 C ATOM 1252 OG1 THR A 76 -8.005 -15.589 -7.227 1.00 0.00 O ATOM 1253 CG2 THR A 76 -6.689 -13.987 -8.305 1.00 0.00 C ATOM 0 H THR A 76 -6.430 -14.014 -5.066 1.00 0.00 H new ATOM 0 HA THR A 76 -8.419 -12.364 -6.556 1.00 0.00 H new ATOM 0 HB THR A 76 -8.846 -13.876 -8.015 1.00 0.00 H new ATOM 0 HG1 THR A 76 -7.946 -16.074 -8.077 1.00 0.00 H new ATOM 0 HG21 THR A 76 -6.709 -14.641 -9.177 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.642 -12.948 -8.632 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.813 -14.217 -7.699 1.00 0.00 H new ATOM 1261 N LYS A 77 -10.347 -13.589 -5.374 1.00 0.00 N ATOM 1262 CA LYS A 77 -11.448 -14.107 -4.558 1.00 0.00 C ATOM 1263 C LYS A 77 -12.654 -14.318 -5.470 1.00 0.00 C ATOM 1264 O LYS A 77 -12.752 -13.683 -6.525 1.00 0.00 O ATOM 1265 CB LYS A 77 -11.833 -13.131 -3.422 1.00 0.00 C ATOM 1266 CG LYS A 77 -10.853 -13.121 -2.236 1.00 0.00 C ATOM 1267 CD LYS A 77 -9.907 -11.913 -2.211 1.00 0.00 C ATOM 1268 CE LYS A 77 -10.623 -10.622 -1.774 1.00 0.00 C ATOM 1269 NZ LYS A 77 -9.749 -9.434 -1.934 1.00 0.00 N ATOM 0 H LYS A 77 -10.670 -13.037 -6.168 1.00 0.00 H new ATOM 0 HA LYS A 77 -11.131 -15.041 -4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.899 -12.123 -3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -12.826 -13.392 -3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -11.424 -13.140 -1.308 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -10.258 -14.034 -2.263 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.080 -12.116 -1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -9.477 -11.770 -3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -11.530 -10.490 -2.364 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.931 -10.711 -0.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -10.185 -8.616 -1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.821 -9.626 -1.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -9.627 -9.226 -2.946 1.00 0.00 H new