USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 392 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 113 LYS NZ :NH3+ 178:sc= 1.3 (180deg=0) USER MOD Set 1.2: A 135 HIS : no HE2:sc= 0.536 K(o=1.8,f=-6.4!) USER MOD Set 2.1: A 128 LYS NZ :NH3+ -144:sc= 1.86 (180deg=0.349) USER MOD Set 2.2: A 129 GLN : amide:sc= 0.837 K(o=2.7,f=-7.7!) USER MOD Set 3.1: A 109 LYS NZ :NH3+ -128:sc= 0.909 (180deg=-0.102) USER MOD Set 3.2: A 110 TYR OH : rot -149:sc= 1.11 USER MOD Set 3.3: A 121 HIS : no HE2:sc= 0.806 K(o=2.8,f=-1) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 97 LYS NZ :NH3+ -166:sc= -0.042 (180deg=-0.382) USER MOD Single : A 101 GLN : amide:sc= 0.348 K(o=0.35,f=-0.18) USER MOD Single : A 108 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.163) USER MOD Single : A 123 LYS NZ :NH3+ 151:sc= 1.23 (180deg=-0.18) USER MOD Single : A 130 CYS SG : rot 78:sc= 0.0299 USER MOD Single : A 136 ASN : amide:sc= 1.22 K(o=1.2,f=-0.0051) USER MOD Single : A 137 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-0.72) USER MOD ----------------------------------------------------------------- ATOM 84 N TRP A 95 13.275 -9.301 -13.155 1.00 0.00 N ATOM 85 CA TRP A 95 14.442 -9.157 -14.026 1.00 0.00 C ATOM 86 C TRP A 95 14.066 -9.365 -15.501 1.00 0.00 C ATOM 87 O TRP A 95 12.938 -9.743 -15.819 1.00 0.00 O ATOM 88 CB TRP A 95 15.536 -10.144 -13.590 1.00 0.00 C ATOM 89 CG TRP A 95 16.348 -9.694 -12.420 1.00 0.00 C ATOM 90 CD1 TRP A 95 15.943 -9.669 -11.138 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.713 -9.192 -12.403 1.00 0.00 C ATOM 92 NE1 TRP A 95 16.935 -9.185 -10.319 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.062 -8.866 -11.054 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.695 -8.973 -13.390 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.312 -8.342 -10.713 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.952 -8.438 -13.053 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.260 -8.121 -11.718 1.00 0.00 C ATOM 0 HA TRP A 95 14.825 -8.141 -13.932 1.00 0.00 H new ATOM 0 HB2 TRP A 95 15.070 -11.099 -13.347 1.00 0.00 H new ATOM 0 HB3 TRP A 95 16.204 -10.321 -14.433 1.00 0.00 H new ATOM 0 HD1 TRP A 95 14.969 -9.987 -10.797 1.00 0.00 H new ATOM 0 HE1 TRP A 95 16.851 -9.076 -9.308 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.480 -9.219 -14.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.544 -8.110 -9.684 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.687 -8.269 -13.826 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.226 -7.708 -11.469 1.00 0.00 H new ATOM 108 N THR A 96 15.029 -9.110 -16.402 1.00 0.00 N ATOM 109 CA THR A 96 14.831 -9.285 -17.837 1.00 0.00 C ATOM 110 C THR A 96 16.079 -9.936 -18.429 1.00 0.00 C ATOM 111 O THR A 96 17.156 -9.856 -17.844 1.00 0.00 O ATOM 112 CB THR A 96 14.549 -7.929 -18.518 1.00 0.00 C ATOM 113 OG1 THR A 96 15.765 -7.256 -18.775 1.00 0.00 O ATOM 114 CG2 THR A 96 13.662 -7.052 -17.628 1.00 0.00 C ATOM 0 H THR A 96 15.960 -8.778 -16.150 1.00 0.00 H new ATOM 0 HA THR A 96 13.967 -9.927 -18.010 1.00 0.00 H new ATOM 0 HB THR A 96 14.030 -8.119 -19.457 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.578 -6.397 -19.209 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.475 -6.101 -18.126 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.714 -7.559 -17.446 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.165 -6.872 -16.678 1.00 0.00 H new ATOM 122 N LYS A 97 15.932 -10.580 -19.593 1.00 0.00 N ATOM 123 CA LYS A 97 17.047 -11.244 -20.257 1.00 0.00 C ATOM 124 C LYS A 97 18.168 -10.238 -20.543 1.00 0.00 C ATOM 125 O LYS A 97 19.344 -10.576 -20.440 1.00 0.00 O ATOM 126 CB LYS A 97 16.544 -11.890 -21.553 1.00 0.00 C ATOM 127 CG LYS A 97 17.640 -12.786 -22.151 1.00 0.00 C ATOM 128 CD LYS A 97 17.207 -13.314 -23.530 1.00 0.00 C ATOM 129 CE LYS A 97 15.944 -14.183 -23.418 1.00 0.00 C ATOM 130 NZ LYS A 97 16.126 -15.282 -22.451 1.00 0.00 N ATOM 0 H LYS A 97 15.045 -10.652 -20.092 1.00 0.00 H new ATOM 0 HA LYS A 97 17.454 -12.020 -19.609 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.650 -12.480 -21.352 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.263 -11.118 -22.269 1.00 0.00 H new ATOM 0 HG2 LYS A 97 18.568 -12.222 -22.245 1.00 0.00 H new ATOM 0 HG3 LYS A 97 17.841 -13.622 -21.481 1.00 0.00 H new ATOM 0 HD2 LYS A 97 17.017 -12.476 -24.201 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.016 -13.897 -23.970 1.00 0.00 H new ATOM 0 HE2 LYS A 97 15.101 -13.563 -23.111 1.00 0.00 H new ATOM 0 HE3 LYS A 97 15.697 -14.595 -24.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.363 -15.978 -22.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 17.044 -15.742 -22.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 16.100 -14.901 -21.484 1.00 0.00 H new ATOM 144 N GLU A 98 17.797 -9.004 -20.901 1.00 0.00 N ATOM 145 CA GLU A 98 18.766 -7.962 -21.204 1.00 0.00 C ATOM 146 C GLU A 98 19.522 -7.572 -19.932 1.00 0.00 C ATOM 147 O GLU A 98 20.740 -7.410 -19.953 1.00 0.00 O ATOM 148 CB GLU A 98 18.036 -6.752 -21.798 1.00 0.00 C ATOM 149 CG GLU A 98 19.020 -5.897 -22.599 1.00 0.00 C ATOM 150 CD GLU A 98 18.431 -4.524 -22.891 1.00 0.00 C ATOM 151 OE1 GLU A 98 18.343 -3.730 -21.927 1.00 0.00 O ATOM 152 OE2 GLU A 98 18.082 -4.291 -24.065 1.00 0.00 O ATOM 0 H GLU A 98 16.825 -8.708 -20.986 1.00 0.00 H new ATOM 0 HA GLU A 98 19.490 -8.328 -21.932 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.222 -7.086 -22.442 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.589 -6.158 -21.001 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.950 -5.787 -22.042 1.00 0.00 H new ATOM 0 HG3 GLU A 98 19.266 -6.399 -23.535 1.00 0.00 H new ATOM 159 N GLU A 99 18.795 -7.424 -18.822 1.00 0.00 N ATOM 160 CA GLU A 99 19.396 -7.071 -17.544 1.00 0.00 C ATOM 161 C GLU A 99 20.353 -8.189 -17.116 1.00 0.00 C ATOM 162 O GLU A 99 21.458 -7.921 -16.650 1.00 0.00 O ATOM 163 CB GLU A 99 18.283 -6.872 -16.509 1.00 0.00 C ATOM 164 CG GLU A 99 18.304 -5.439 -15.978 1.00 0.00 C ATOM 165 CD GLU A 99 17.070 -5.160 -15.127 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.370 -6.146 -14.790 1.00 0.00 O ATOM 167 OE2 GLU A 99 16.847 -3.972 -14.821 1.00 0.00 O ATOM 0 H GLU A 99 17.783 -7.545 -18.788 1.00 0.00 H new ATOM 0 HA GLU A 99 19.963 -6.144 -17.628 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.314 -7.086 -16.961 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.413 -7.574 -15.686 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.204 -5.279 -15.385 1.00 0.00 H new ATOM 0 HG3 GLU A 99 18.343 -4.738 -16.812 1.00 0.00 H new ATOM 174 N ASP A 100 19.922 -9.444 -17.289 1.00 0.00 N ATOM 175 CA ASP A 100 20.742 -10.599 -16.955 1.00 0.00 C ATOM 176 C ASP A 100 21.987 -10.622 -17.841 1.00 0.00 C ATOM 177 O ASP A 100 23.077 -10.940 -17.368 1.00 0.00 O ATOM 178 CB ASP A 100 19.920 -11.879 -17.140 1.00 0.00 C ATOM 179 CG ASP A 100 19.156 -12.219 -15.875 1.00 0.00 C ATOM 180 OD1 ASP A 100 19.787 -12.792 -14.964 1.00 0.00 O ATOM 181 OD2 ASP A 100 17.951 -11.901 -15.836 1.00 0.00 O ATOM 0 H ASP A 100 19.002 -9.679 -17.662 1.00 0.00 H new ATOM 0 HA ASP A 100 21.061 -10.536 -15.915 1.00 0.00 H new ATOM 0 HB2 ASP A 100 19.222 -11.752 -17.968 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.580 -12.705 -17.404 1.00 0.00 H new ATOM 186 N GLN A 101 21.828 -10.281 -19.128 1.00 0.00 N ATOM 187 CA GLN A 101 22.946 -10.254 -20.060 1.00 0.00 C ATOM 188 C GLN A 101 24.025 -9.302 -19.542 1.00 0.00 C ATOM 189 O GLN A 101 25.213 -9.611 -19.631 1.00 0.00 O ATOM 190 CB GLN A 101 22.451 -9.834 -21.452 1.00 0.00 C ATOM 191 CG GLN A 101 23.614 -9.813 -22.455 1.00 0.00 C ATOM 192 CD GLN A 101 24.260 -11.190 -22.591 1.00 0.00 C ATOM 193 OE1 GLN A 101 23.805 -12.016 -23.377 1.00 0.00 O ATOM 194 NE2 GLN A 101 25.323 -11.435 -21.823 1.00 0.00 N ATOM 0 H GLN A 101 20.932 -10.021 -19.540 1.00 0.00 H new ATOM 0 HA GLN A 101 23.382 -11.249 -20.142 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.681 -10.525 -21.794 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.992 -8.847 -21.398 1.00 0.00 H new ATOM 0 HG2 GLN A 101 23.251 -9.483 -23.428 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.362 -9.089 -22.131 1.00 0.00 H new ATOM 0 HE21 GLN A 101 25.666 -10.718 -21.184 1.00 0.00 H new ATOM 0 HE22 GLN A 101 25.792 -12.339 -21.875 1.00 0.00 H new ATOM 203 N ARG A 102 23.616 -8.146 -18.996 1.00 0.00 N ATOM 204 CA ARG A 102 24.566 -7.185 -18.453 1.00 0.00 C ATOM 205 C ARG A 102 25.351 -7.831 -17.312 1.00 0.00 C ATOM 206 O ARG A 102 26.569 -7.729 -17.274 1.00 0.00 O ATOM 207 CB ARG A 102 23.840 -5.931 -17.959 1.00 0.00 C ATOM 208 CG ARG A 102 23.289 -5.135 -19.143 1.00 0.00 C ATOM 209 CD ARG A 102 22.657 -3.838 -18.631 1.00 0.00 C ATOM 210 NE ARG A 102 22.173 -3.008 -19.743 1.00 0.00 N ATOM 211 CZ ARG A 102 20.980 -3.190 -20.339 1.00 0.00 C ATOM 212 NH1 ARG A 102 20.170 -4.182 -19.956 1.00 0.00 N ATOM 213 NH2 ARG A 102 20.597 -2.374 -21.326 1.00 0.00 N ATOM 0 H ARG A 102 22.639 -7.863 -18.923 1.00 0.00 H new ATOM 0 HA ARG A 102 25.259 -6.887 -19.240 1.00 0.00 H new ATOM 0 HB2 ARG A 102 23.026 -6.213 -17.291 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.525 -5.310 -17.382 1.00 0.00 H new ATOM 0 HG2 ARG A 102 24.089 -4.909 -19.848 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.548 -5.727 -19.680 1.00 0.00 H new ATOM 0 HD2 ARG A 102 21.829 -4.073 -17.962 1.00 0.00 H new ATOM 0 HD3 ARG A 102 23.389 -3.279 -18.048 1.00 0.00 H new ATOM 0 HE ARG A 102 22.772 -2.255 -20.081 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.454 -4.811 -19.205 1.00 0.00 H new ATOM 0 HH12 ARG A 102 19.268 -4.310 -20.415 1.00 0.00 H new ATOM 0 HH21 ARG A 102 21.209 -1.615 -21.626 1.00 0.00 H new ATOM 0 HH22 ARG A 102 19.693 -2.510 -21.779 1.00 0.00 H new ATOM 227 N VAL A 103 24.655 -8.500 -16.381 1.00 0.00 N ATOM 228 CA VAL A 103 25.314 -9.155 -15.255 1.00 0.00 C ATOM 229 C VAL A 103 26.329 -10.171 -15.773 1.00 0.00 C ATOM 230 O VAL A 103 27.477 -10.163 -15.347 1.00 0.00 O ATOM 231 CB VAL A 103 24.269 -9.832 -14.355 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.969 -10.696 -13.300 1.00 0.00 C ATOM 233 CG2 VAL A 103 23.432 -8.765 -13.653 1.00 0.00 C ATOM 0 H VAL A 103 23.640 -8.598 -16.390 1.00 0.00 H new ATOM 0 HA VAL A 103 25.843 -8.410 -14.660 1.00 0.00 H new ATOM 0 HB VAL A 103 23.625 -10.461 -14.970 1.00 0.00 H new ATOM 0 HG11 VAL A 103 24.222 -11.173 -12.666 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.567 -11.462 -13.795 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.617 -10.069 -12.688 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.691 -9.246 -13.015 1.00 0.00 H new ATOM 0 HG22 VAL A 103 24.081 -8.135 -13.045 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.926 -8.151 -14.398 1.00 0.00 H new ATOM 243 N ILE A 104 25.900 -11.043 -16.693 1.00 0.00 N ATOM 244 CA ILE A 104 26.773 -12.061 -17.268 1.00 0.00 C ATOM 245 C ILE A 104 28.026 -11.404 -17.856 1.00 0.00 C ATOM 246 O ILE A 104 29.145 -11.830 -17.569 1.00 0.00 O ATOM 247 CB ILE A 104 25.998 -12.833 -18.352 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.951 -13.739 -17.693 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.969 -13.685 -19.183 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.922 -14.198 -18.728 1.00 0.00 C ATOM 0 H ILE A 104 24.946 -11.060 -17.054 1.00 0.00 H new ATOM 0 HA ILE A 104 27.090 -12.759 -16.493 1.00 0.00 H new ATOM 0 HB ILE A 104 25.497 -12.120 -19.008 1.00 0.00 H new ATOM 0 HG12 ILE A 104 25.439 -14.605 -17.246 1.00 0.00 H new ATOM 0 HG13 ILE A 104 24.452 -13.203 -16.886 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.414 -14.228 -19.948 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.705 -13.037 -19.660 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.479 -14.395 -18.532 1.00 0.00 H new ATOM 0 HD11 ILE A 104 23.184 -14.841 -18.247 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.423 -13.328 -19.155 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.425 -14.753 -19.520 1.00 0.00 H new ATOM 262 N GLU A 105 27.831 -10.370 -18.682 1.00 0.00 N ATOM 263 CA GLU A 105 28.928 -9.674 -19.336 1.00 0.00 C ATOM 264 C GLU A 105 29.882 -9.073 -18.300 1.00 0.00 C ATOM 265 O GLU A 105 31.086 -9.303 -18.361 1.00 0.00 O ATOM 266 CB GLU A 105 28.352 -8.581 -20.244 1.00 0.00 C ATOM 267 CG GLU A 105 29.470 -7.946 -21.076 1.00 0.00 C ATOM 268 CD GLU A 105 28.919 -6.838 -21.964 1.00 0.00 C ATOM 269 OE1 GLU A 105 28.109 -7.175 -22.854 1.00 0.00 O ATOM 270 OE2 GLU A 105 29.318 -5.676 -21.736 1.00 0.00 O ATOM 0 H GLU A 105 26.909 -9.998 -18.911 1.00 0.00 H new ATOM 0 HA GLU A 105 29.499 -10.381 -19.938 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.594 -9.006 -20.902 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.859 -7.819 -19.641 1.00 0.00 H new ATOM 0 HG2 GLU A 105 30.237 -7.541 -20.415 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.949 -8.707 -21.691 1.00 0.00 H new ATOM 277 N LEU A 106 29.342 -8.296 -17.357 1.00 0.00 N ATOM 278 CA LEU A 106 30.149 -7.635 -16.339 1.00 0.00 C ATOM 279 C LEU A 106 30.886 -8.667 -15.480 1.00 0.00 C ATOM 280 O LEU A 106 32.029 -8.437 -15.091 1.00 0.00 O ATOM 281 CB LEU A 106 29.251 -6.744 -15.475 1.00 0.00 C ATOM 282 CG LEU A 106 28.665 -5.596 -16.317 1.00 0.00 C ATOM 283 CD1 LEU A 106 27.567 -4.892 -15.516 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.762 -4.588 -16.677 1.00 0.00 C ATOM 0 H LEU A 106 28.342 -8.111 -17.281 1.00 0.00 H new ATOM 0 HA LEU A 106 30.900 -7.013 -16.825 1.00 0.00 H new ATOM 0 HB2 LEU A 106 28.444 -7.338 -15.046 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.825 -6.337 -14.642 1.00 0.00 H new ATOM 0 HG LEU A 106 28.248 -6.006 -17.237 1.00 0.00 H new ATOM 0 HD11 LEU A 106 27.149 -4.078 -16.109 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.780 -5.605 -15.273 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.989 -4.490 -14.595 1.00 0.00 H new ATOM 0 HD21 LEU A 106 29.334 -3.782 -17.272 1.00 0.00 H new ATOM 0 HD22 LEU A 106 30.192 -4.176 -15.764 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.542 -5.088 -17.251 1.00 0.00 H new ATOM 296 N VAL A 107 30.243 -9.804 -15.188 1.00 0.00 N ATOM 297 CA VAL A 107 30.872 -10.857 -14.402 1.00 0.00 C ATOM 298 C VAL A 107 32.026 -11.457 -15.203 1.00 0.00 C ATOM 299 O VAL A 107 33.071 -11.755 -14.645 1.00 0.00 O ATOM 300 CB VAL A 107 29.829 -11.922 -14.019 1.00 0.00 C ATOM 301 CG1 VAL A 107 30.521 -13.239 -13.653 1.00 0.00 C ATOM 302 CG2 VAL A 107 29.030 -11.433 -12.810 1.00 0.00 C ATOM 0 H VAL A 107 29.290 -10.012 -15.486 1.00 0.00 H new ATOM 0 HA VAL A 107 31.274 -10.446 -13.476 1.00 0.00 H new ATOM 0 HB VAL A 107 29.168 -12.088 -14.869 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.770 -13.982 -13.384 1.00 0.00 H new ATOM 0 HG12 VAL A 107 31.097 -13.597 -14.506 1.00 0.00 H new ATOM 0 HG13 VAL A 107 31.189 -13.076 -12.807 1.00 0.00 H new ATOM 0 HG21 VAL A 107 28.290 -12.184 -12.535 1.00 0.00 H new ATOM 0 HG22 VAL A 107 29.706 -11.265 -11.971 1.00 0.00 H new ATOM 0 HG23 VAL A 107 28.524 -10.500 -13.061 1.00 0.00 H new ATOM 312 N GLN A 108 31.842 -11.625 -16.515 1.00 0.00 N ATOM 313 CA GLN A 108 32.896 -12.150 -17.371 1.00 0.00 C ATOM 314 C GLN A 108 34.026 -11.116 -17.488 1.00 0.00 C ATOM 315 O GLN A 108 35.193 -11.481 -17.609 1.00 0.00 O ATOM 316 CB GLN A 108 32.309 -12.486 -18.747 1.00 0.00 C ATOM 317 CG GLN A 108 33.329 -13.279 -19.571 1.00 0.00 C ATOM 318 CD GLN A 108 32.733 -13.710 -20.906 1.00 0.00 C ATOM 319 OE1 GLN A 108 33.137 -13.218 -21.956 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.771 -14.632 -20.866 1.00 0.00 N ATOM 0 H GLN A 108 30.973 -11.404 -17.002 1.00 0.00 H new ATOM 0 HA GLN A 108 33.311 -13.061 -16.940 1.00 0.00 H new ATOM 0 HB2 GLN A 108 31.394 -13.066 -18.630 1.00 0.00 H new ATOM 0 HB3 GLN A 108 32.040 -11.569 -19.271 1.00 0.00 H new ATOM 0 HG2 GLN A 108 34.216 -12.669 -19.744 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.651 -14.157 -19.011 1.00 0.00 H new ATOM 0 HE21 GLN A 108 31.467 -15.013 -19.970 1.00 0.00 H new ATOM 0 HE22 GLN A 108 31.339 -14.956 -21.731 1.00 0.00 H new ATOM 329 N LYS A 109 33.665 -9.825 -17.452 1.00 0.00 N ATOM 330 CA LYS A 109 34.622 -8.735 -17.567 1.00 0.00 C ATOM 331 C LYS A 109 35.515 -8.667 -16.322 1.00 0.00 C ATOM 332 O LYS A 109 36.733 -8.787 -16.431 1.00 0.00 O ATOM 333 CB LYS A 109 33.849 -7.423 -17.764 1.00 0.00 C ATOM 334 CG LYS A 109 34.817 -6.270 -18.044 1.00 0.00 C ATOM 335 CD LYS A 109 34.012 -5.015 -18.407 1.00 0.00 C ATOM 336 CE LYS A 109 34.958 -3.836 -18.663 1.00 0.00 C ATOM 337 NZ LYS A 109 35.508 -3.306 -17.402 1.00 0.00 N ATOM 0 H LYS A 109 32.699 -9.516 -17.342 1.00 0.00 H new ATOM 0 HA LYS A 109 35.273 -8.903 -18.425 1.00 0.00 H new ATOM 0 HB2 LYS A 109 33.148 -7.527 -18.592 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.260 -7.203 -16.874 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.437 -6.079 -17.168 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.490 -6.534 -18.860 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.408 -5.205 -19.294 1.00 0.00 H new ATOM 0 HD3 LYS A 109 33.323 -4.769 -17.599 1.00 0.00 H new ATOM 0 HE2 LYS A 109 35.773 -4.156 -19.312 1.00 0.00 H new ATOM 0 HE3 LYS A 109 34.423 -3.046 -19.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 35.354 -2.278 -17.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 35.031 -3.760 -16.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 36.528 -3.505 -17.357 1.00 0.00 H new ATOM 351 N TYR A 110 34.908 -8.463 -15.144 1.00 0.00 N ATOM 352 CA TYR A 110 35.654 -8.351 -13.895 1.00 0.00 C ATOM 353 C TYR A 110 35.875 -9.734 -13.288 1.00 0.00 C ATOM 354 O TYR A 110 37.013 -10.167 -13.116 1.00 0.00 O ATOM 355 CB TYR A 110 34.881 -7.463 -12.912 1.00 0.00 C ATOM 356 CG TYR A 110 34.557 -6.089 -13.454 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.595 -5.210 -13.814 1.00 0.00 C ATOM 358 CD2 TYR A 110 33.217 -5.685 -13.588 1.00 0.00 C ATOM 359 CE1 TYR A 110 35.290 -3.931 -14.308 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.916 -4.407 -14.081 1.00 0.00 C ATOM 361 CZ TYR A 110 33.950 -3.530 -14.441 1.00 0.00 C ATOM 362 OH TYR A 110 33.656 -2.289 -14.924 1.00 0.00 O ATOM 0 H TYR A 110 33.898 -8.373 -15.036 1.00 0.00 H new ATOM 0 HA TYR A 110 36.625 -7.900 -14.099 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.952 -7.963 -12.638 1.00 0.00 H new ATOM 0 HB3 TYR A 110 35.466 -7.354 -11.998 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.625 -5.518 -13.711 1.00 0.00 H new ATOM 0 HD2 TYR A 110 32.420 -6.359 -13.311 1.00 0.00 H new ATOM 0 HE1 TYR A 110 36.086 -3.256 -14.586 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.886 -4.098 -14.184 1.00 0.00 H new ATOM 0 HH TYR A 110 32.820 -1.971 -14.523 1.00 0.00 H new ATOM 372 N GLY A 111 34.776 -10.413 -12.956 1.00 0.00 N ATOM 373 CA GLY A 111 34.816 -11.727 -12.340 1.00 0.00 C ATOM 374 C GLY A 111 33.589 -11.896 -11.444 1.00 0.00 C ATOM 375 O GLY A 111 32.794 -10.965 -11.307 1.00 0.00 O ATOM 0 H GLY A 111 33.832 -10.059 -13.110 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.831 -12.502 -13.107 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.728 -11.840 -11.754 1.00 0.00 H new ATOM 379 N PRO A 112 33.435 -13.077 -10.822 1.00 0.00 N ATOM 380 CA PRO A 112 32.344 -13.342 -9.908 1.00 0.00 C ATOM 381 C PRO A 112 32.405 -12.361 -8.739 1.00 0.00 C ATOM 382 O PRO A 112 33.448 -11.754 -8.491 1.00 0.00 O ATOM 383 CB PRO A 112 32.529 -14.790 -9.443 1.00 0.00 C ATOM 384 CG PRO A 112 33.847 -15.287 -10.051 1.00 0.00 C ATOM 385 CD PRO A 112 34.342 -14.187 -10.990 1.00 0.00 C ATOM 0 HA PRO A 112 31.368 -13.214 -10.375 1.00 0.00 H new ATOM 0 HB2 PRO A 112 32.560 -14.845 -8.355 1.00 0.00 H new ATOM 0 HB3 PRO A 112 31.695 -15.410 -9.770 1.00 0.00 H new ATOM 0 HG2 PRO A 112 34.581 -15.489 -9.271 1.00 0.00 H new ATOM 0 HG3 PRO A 112 33.695 -16.220 -10.594 1.00 0.00 H new ATOM 0 HD2 PRO A 112 35.363 -13.896 -10.745 1.00 0.00 H new ATOM 0 HD3 PRO A 112 34.349 -14.532 -12.024 1.00 0.00 H new ATOM 393 N LYS A 113 31.284 -12.204 -8.029 1.00 0.00 N ATOM 394 CA LYS A 113 31.191 -11.275 -6.911 1.00 0.00 C ATOM 395 C LYS A 113 31.381 -9.847 -7.434 1.00 0.00 C ATOM 396 O LYS A 113 30.941 -9.535 -8.539 1.00 0.00 O ATOM 397 CB LYS A 113 32.218 -11.635 -5.815 1.00 0.00 C ATOM 398 CG LYS A 113 32.163 -13.138 -5.490 1.00 0.00 C ATOM 399 CD LYS A 113 30.741 -13.545 -5.080 1.00 0.00 C ATOM 400 CE LYS A 113 30.745 -14.992 -4.576 1.00 0.00 C ATOM 401 NZ LYS A 113 29.392 -15.418 -4.172 1.00 0.00 N ATOM 0 H LYS A 113 30.422 -12.717 -8.216 1.00 0.00 H new ATOM 0 HA LYS A 113 30.206 -11.345 -6.450 1.00 0.00 H new ATOM 0 HB2 LYS A 113 33.221 -11.366 -6.147 1.00 0.00 H new ATOM 0 HB3 LYS A 113 32.014 -11.056 -4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 113 32.477 -13.716 -6.359 1.00 0.00 H new ATOM 0 HG3 LYS A 113 32.860 -13.368 -4.685 1.00 0.00 H new ATOM 0 HD2 LYS A 113 30.372 -12.879 -4.300 1.00 0.00 H new ATOM 0 HD3 LYS A 113 30.065 -13.447 -5.929 1.00 0.00 H new ATOM 0 HE2 LYS A 113 31.119 -15.652 -5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 113 31.426 -15.084 -3.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 29.418 -16.412 -3.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 29.061 -14.823 -3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 28.742 -15.320 -4.978 1.00 0.00 H new ATOM 415 N ARG A 114 32.028 -8.984 -6.639 1.00 0.00 N ATOM 416 CA ARG A 114 32.269 -7.592 -7.022 1.00 0.00 C ATOM 417 C ARG A 114 30.941 -6.914 -7.368 1.00 0.00 C ATOM 418 O ARG A 114 30.854 -6.149 -8.330 1.00 0.00 O ATOM 419 CB ARG A 114 33.238 -7.534 -8.217 1.00 0.00 C ATOM 420 CG ARG A 114 34.507 -8.340 -7.919 1.00 0.00 C ATOM 421 CD ARG A 114 35.389 -8.379 -9.171 1.00 0.00 C ATOM 422 NE ARG A 114 36.531 -9.286 -8.987 1.00 0.00 N ATOM 423 CZ ARG A 114 37.644 -8.949 -8.309 1.00 0.00 C ATOM 424 NH1 ARG A 114 37.751 -7.741 -7.738 1.00 0.00 N ATOM 425 NH2 ARG A 114 38.651 -9.826 -8.206 1.00 0.00 N ATOM 0 H ARG A 114 32.395 -9.231 -5.720 1.00 0.00 H new ATOM 0 HA ARG A 114 32.724 -7.061 -6.186 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.750 -7.929 -9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.500 -6.498 -8.430 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.052 -7.888 -7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.245 -9.353 -7.613 1.00 0.00 H new ATOM 0 HD2 ARG A 114 34.797 -8.704 -10.026 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.750 -7.376 -9.396 1.00 0.00 H new ATOM 0 HE ARG A 114 36.477 -10.220 -9.394 1.00 0.00 H new ATOM 0 HH11 ARG A 114 36.986 -7.071 -7.816 1.00 0.00 H new ATOM 0 HH12 ARG A 114 38.597 -7.492 -7.226 1.00 0.00 H new ATOM 0 HH21 ARG A 114 38.573 -10.746 -8.640 1.00 0.00 H new ATOM 0 HH22 ARG A 114 39.496 -9.574 -7.693 1.00 0.00 H new ATOM 439 N TRP A 115 29.909 -7.206 -6.576 1.00 0.00 N ATOM 440 CA TRP A 115 28.578 -6.674 -6.804 1.00 0.00 C ATOM 441 C TRP A 115 28.547 -5.166 -6.586 1.00 0.00 C ATOM 442 O TRP A 115 27.676 -4.489 -7.120 1.00 0.00 O ATOM 443 CB TRP A 115 27.600 -7.407 -5.891 1.00 0.00 C ATOM 444 CG TRP A 115 27.630 -8.884 -6.094 1.00 0.00 C ATOM 445 CD1 TRP A 115 27.955 -9.804 -5.173 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.381 -9.629 -7.318 1.00 0.00 C ATOM 447 NE1 TRP A 115 27.935 -11.068 -5.716 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.596 -11.017 -7.058 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.007 -9.274 -8.633 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.470 -11.990 -8.054 1.00 0.00 C ATOM 451 CZ3 TRP A 115 26.865 -10.250 -9.633 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.108 -11.599 -9.349 1.00 0.00 C ATOM 0 H TRP A 115 29.978 -7.817 -5.762 1.00 0.00 H new ATOM 0 HA TRP A 115 28.283 -6.838 -7.840 1.00 0.00 H new ATOM 0 HB2 TRP A 115 27.839 -7.181 -4.852 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.591 -7.038 -6.074 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.199 -9.582 -4.145 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.141 -11.924 -5.201 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.828 -8.236 -8.873 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.650 -13.031 -7.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.566 -9.957 -10.629 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.016 -12.339 -10.130 1.00 0.00 H new ATOM 463 N SER A 116 29.503 -4.636 -5.819 1.00 0.00 N ATOM 464 CA SER A 116 29.594 -3.205 -5.591 1.00 0.00 C ATOM 465 C SER A 116 29.856 -2.489 -6.921 1.00 0.00 C ATOM 466 O SER A 116 29.328 -1.406 -7.157 1.00 0.00 O ATOM 467 CB SER A 116 30.719 -2.926 -4.592 1.00 0.00 C ATOM 468 OG SER A 116 30.545 -3.736 -3.448 1.00 0.00 O ATOM 0 H SER A 116 30.223 -5.184 -5.348 1.00 0.00 H new ATOM 0 HA SER A 116 28.657 -2.831 -5.178 1.00 0.00 H new ATOM 0 HB2 SER A 116 31.686 -3.130 -5.051 1.00 0.00 H new ATOM 0 HB3 SER A 116 30.716 -1.873 -4.309 1.00 0.00 H new ATOM 0 HG SER A 116 31.266 -3.559 -2.809 1.00 0.00 H new ATOM 474 N VAL A 117 30.677 -3.106 -7.786 1.00 0.00 N ATOM 475 CA VAL A 117 31.021 -2.536 -9.083 1.00 0.00 C ATOM 476 C VAL A 117 29.880 -2.771 -10.073 1.00 0.00 C ATOM 477 O VAL A 117 29.478 -1.856 -10.785 1.00 0.00 O ATOM 478 CB VAL A 117 32.324 -3.180 -9.585 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.680 -2.630 -10.970 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.463 -2.870 -8.609 1.00 0.00 C ATOM 0 H VAL A 117 31.115 -4.008 -7.600 1.00 0.00 H new ATOM 0 HA VAL A 117 31.172 -1.461 -8.989 1.00 0.00 H new ATOM 0 HB VAL A 117 32.182 -4.259 -9.651 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.604 -3.091 -11.318 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.875 -2.857 -11.669 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.814 -1.550 -10.909 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.385 -3.328 -8.968 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.598 -1.791 -8.538 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.218 -3.270 -7.625 1.00 0.00 H new ATOM 490 N ILE A 118 29.363 -4.001 -10.120 1.00 0.00 N ATOM 491 CA ILE A 118 28.282 -4.348 -11.034 1.00 0.00 C ATOM 492 C ILE A 118 27.049 -3.480 -10.744 1.00 0.00 C ATOM 493 O ILE A 118 26.366 -3.049 -11.672 1.00 0.00 O ATOM 494 CB ILE A 118 27.975 -5.849 -10.898 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.160 -6.653 -11.464 1.00 0.00 C ATOM 496 CG2 ILE A 118 26.697 -6.199 -11.675 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.125 -8.090 -10.947 1.00 0.00 C ATOM 0 H ILE A 118 29.679 -4.772 -9.532 1.00 0.00 H new ATOM 0 HA ILE A 118 28.579 -4.151 -12.064 1.00 0.00 H new ATOM 0 HB ILE A 118 27.825 -6.096 -9.847 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.122 -6.651 -12.553 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.099 -6.179 -11.177 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.489 -7.264 -11.572 1.00 0.00 H new ATOM 0 HG22 ILE A 118 25.860 -5.625 -11.276 1.00 0.00 H new ATOM 0 HG23 ILE A 118 26.834 -5.956 -12.729 1.00 0.00 H new ATOM 0 HD11 ILE A 118 29.969 -8.645 -11.356 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.186 -8.087 -9.859 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.194 -8.565 -11.256 1.00 0.00 H new ATOM 509 N ALA A 119 26.770 -3.219 -9.460 1.00 0.00 N ATOM 510 CA ALA A 119 25.630 -2.400 -9.063 1.00 0.00 C ATOM 511 C ALA A 119 25.775 -0.977 -9.611 1.00 0.00 C ATOM 512 O ALA A 119 24.790 -0.378 -10.038 1.00 0.00 O ATOM 513 CB ALA A 119 25.526 -2.379 -7.538 1.00 0.00 C ATOM 0 H ALA A 119 27.325 -3.568 -8.679 1.00 0.00 H new ATOM 0 HA ALA A 119 24.718 -2.830 -9.478 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.675 -1.767 -7.240 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.390 -3.395 -7.169 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.439 -1.959 -7.117 1.00 0.00 H new ATOM 519 N LYS A 120 27.005 -0.434 -9.602 1.00 0.00 N ATOM 520 CA LYS A 120 27.258 0.914 -10.105 1.00 0.00 C ATOM 521 C LYS A 120 26.869 1.012 -11.582 1.00 0.00 C ATOM 522 O LYS A 120 26.547 2.100 -12.065 1.00 0.00 O ATOM 523 CB LYS A 120 28.740 1.270 -9.923 1.00 0.00 C ATOM 524 CG LYS A 120 29.048 1.518 -8.440 1.00 0.00 C ATOM 525 CD LYS A 120 29.585 2.943 -8.250 1.00 0.00 C ATOM 526 CE LYS A 120 31.034 3.037 -8.745 1.00 0.00 C ATOM 527 NZ LYS A 120 31.961 2.348 -7.828 1.00 0.00 N ATOM 0 H LYS A 120 27.834 -0.913 -9.251 1.00 0.00 H new ATOM 0 HA LYS A 120 26.651 1.621 -9.539 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.365 0.461 -10.301 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.982 2.159 -10.506 1.00 0.00 H new ATOM 0 HG2 LYS A 120 28.146 1.377 -7.844 1.00 0.00 H new ATOM 0 HG3 LYS A 120 29.781 0.793 -8.086 1.00 0.00 H new ATOM 0 HD2 LYS A 120 28.960 3.650 -8.796 1.00 0.00 H new ATOM 0 HD3 LYS A 120 29.535 3.220 -7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.110 2.597 -9.740 1.00 0.00 H new ATOM 0 HE3 LYS A 120 31.322 4.084 -8.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 32.937 2.637 -8.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 31.730 2.601 -6.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 31.870 1.319 -7.950 1.00 0.00 H new ATOM 541 N HIS A 121 26.901 -0.119 -12.297 1.00 0.00 N ATOM 542 CA HIS A 121 26.560 -0.153 -13.707 1.00 0.00 C ATOM 543 C HIS A 121 25.060 -0.391 -13.859 1.00 0.00 C ATOM 544 O HIS A 121 24.401 0.292 -14.642 1.00 0.00 O ATOM 545 CB HIS A 121 27.382 -1.247 -14.393 1.00 0.00 C ATOM 546 CG HIS A 121 28.861 -1.093 -14.131 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.470 0.149 -13.973 1.00 0.00 N ATOM 548 CD2 HIS A 121 29.877 -2.002 -13.983 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.778 -0.083 -13.748 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.095 -1.379 -13.744 1.00 0.00 N ATOM 0 H HIS A 121 27.163 -1.025 -11.909 1.00 0.00 H new ATOM 0 HA HIS A 121 26.797 0.798 -14.183 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.051 -2.224 -14.040 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.199 -1.218 -15.467 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.013 1.060 -14.019 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.746 -3.072 -14.045 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.500 0.704 -13.587 1.00 0.00 H new ATOM 558 N LEU A 122 24.517 -1.352 -13.097 1.00 0.00 N ATOM 559 CA LEU A 122 23.091 -1.642 -13.122 1.00 0.00 C ATOM 560 C LEU A 122 22.365 -0.630 -12.232 1.00 0.00 C ATOM 561 O LEU A 122 21.827 -0.983 -11.180 1.00 0.00 O ATOM 562 CB LEU A 122 22.838 -3.085 -12.649 1.00 0.00 C ATOM 563 CG LEU A 122 22.754 -4.031 -13.854 1.00 0.00 C ATOM 564 CD1 LEU A 122 24.131 -4.187 -14.501 1.00 0.00 C ATOM 565 CD2 LEU A 122 22.254 -5.399 -13.390 1.00 0.00 C ATOM 0 H LEU A 122 25.053 -1.938 -12.457 1.00 0.00 H new ATOM 0 HA LEU A 122 22.708 -1.556 -14.139 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.640 -3.403 -11.983 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.912 -3.131 -12.076 1.00 0.00 H new ATOM 0 HG LEU A 122 22.063 -3.613 -14.586 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.058 -4.861 -15.355 1.00 0.00 H new ATOM 0 HD12 LEU A 122 24.488 -3.213 -14.837 1.00 0.00 H new ATOM 0 HD13 LEU A 122 24.830 -4.598 -13.773 1.00 0.00 H new ATOM 0 HD21 LEU A 122 22.193 -6.073 -14.244 1.00 0.00 H new ATOM 0 HD22 LEU A 122 22.945 -5.808 -12.653 1.00 0.00 H new ATOM 0 HD23 LEU A 122 21.266 -5.292 -12.941 1.00 0.00 H new ATOM 577 N LYS A 123 22.354 0.637 -12.662 1.00 0.00 N ATOM 578 CA LYS A 123 21.704 1.703 -11.918 1.00 0.00 C ATOM 579 C LYS A 123 20.227 1.370 -11.738 1.00 0.00 C ATOM 580 O LYS A 123 19.492 1.239 -12.715 1.00 0.00 O ATOM 581 CB LYS A 123 21.884 3.025 -12.664 1.00 0.00 C ATOM 582 CG LYS A 123 23.314 3.534 -12.458 1.00 0.00 C ATOM 583 CD LYS A 123 23.375 4.407 -11.197 1.00 0.00 C ATOM 584 CE LYS A 123 24.810 4.462 -10.658 1.00 0.00 C ATOM 585 NZ LYS A 123 25.782 4.727 -11.734 1.00 0.00 N ATOM 0 H LYS A 123 22.794 0.943 -13.530 1.00 0.00 H new ATOM 0 HA LYS A 123 22.156 1.800 -10.931 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.685 2.886 -13.727 1.00 0.00 H new ATOM 0 HB3 LYS A 123 21.168 3.762 -12.300 1.00 0.00 H new ATOM 0 HG2 LYS A 123 24.000 2.692 -12.363 1.00 0.00 H new ATOM 0 HG3 LYS A 123 23.634 4.110 -13.326 1.00 0.00 H new ATOM 0 HD2 LYS A 123 23.026 5.414 -11.426 1.00 0.00 H new ATOM 0 HD3 LYS A 123 22.708 4.004 -10.435 1.00 0.00 H new ATOM 0 HE2 LYS A 123 24.885 5.241 -9.899 1.00 0.00 H new ATOM 0 HE3 LYS A 123 25.053 3.518 -10.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 26.605 5.229 -11.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 26.092 3.826 -12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 25.336 5.313 -12.468 1.00 0.00 H new ATOM 599 N GLY A 124 19.810 1.226 -10.477 1.00 0.00 N ATOM 600 CA GLY A 124 18.442 0.870 -10.135 1.00 0.00 C ATOM 601 C GLY A 124 18.456 -0.323 -9.185 1.00 0.00 C ATOM 602 O GLY A 124 17.675 -0.373 -8.236 1.00 0.00 O ATOM 0 H GLY A 124 20.417 1.355 -9.668 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.940 1.717 -9.667 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.881 0.625 -11.037 1.00 0.00 H new ATOM 606 N ARG A 125 19.357 -1.281 -9.444 1.00 0.00 N ATOM 607 CA ARG A 125 19.500 -2.464 -8.609 1.00 0.00 C ATOM 608 C ARG A 125 20.583 -2.211 -7.565 1.00 0.00 C ATOM 609 O ARG A 125 21.250 -1.177 -7.593 1.00 0.00 O ATOM 610 CB ARG A 125 19.878 -3.672 -9.482 1.00 0.00 C ATOM 611 CG ARG A 125 18.749 -3.998 -10.466 1.00 0.00 C ATOM 612 CD ARG A 125 17.666 -4.836 -9.772 1.00 0.00 C ATOM 613 NE ARG A 125 16.421 -4.841 -10.554 1.00 0.00 N ATOM 614 CZ ARG A 125 16.310 -5.418 -11.764 1.00 0.00 C ATOM 615 NH1 ARG A 125 17.314 -6.143 -12.261 1.00 0.00 N ATOM 616 NH2 ARG A 125 15.191 -5.267 -12.478 1.00 0.00 N ATOM 0 H ARG A 125 20.000 -1.251 -10.235 1.00 0.00 H new ATOM 0 HA ARG A 125 18.557 -2.677 -8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 125 20.796 -3.459 -10.030 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.078 -4.537 -8.849 1.00 0.00 H new ATOM 0 HG2 ARG A 125 18.314 -3.075 -10.851 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.148 -4.543 -11.321 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.021 -5.858 -9.640 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.473 -4.435 -8.777 1.00 0.00 H new ATOM 0 HE ARG A 125 15.599 -4.384 -10.159 1.00 0.00 H new ATOM 0 HH11 ARG A 125 18.172 -6.262 -11.723 1.00 0.00 H new ATOM 0 HH12 ARG A 125 17.223 -6.578 -13.179 1.00 0.00 H new ATOM 0 HH21 ARG A 125 14.419 -4.714 -12.106 1.00 0.00 H new ATOM 0 HH22 ARG A 125 15.108 -5.705 -13.395 1.00 0.00 H new ATOM 630 N ILE A 126 20.756 -3.167 -6.648 1.00 0.00 N ATOM 631 CA ILE A 126 21.771 -3.080 -5.611 1.00 0.00 C ATOM 632 C ILE A 126 22.515 -4.410 -5.535 1.00 0.00 C ATOM 633 O ILE A 126 22.112 -5.388 -6.172 1.00 0.00 O ATOM 634 CB ILE A 126 21.119 -2.721 -4.263 1.00 0.00 C ATOM 635 CG1 ILE A 126 19.972 -3.696 -3.956 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.580 -1.286 -4.322 1.00 0.00 C ATOM 637 CD1 ILE A 126 19.504 -3.519 -2.510 1.00 0.00 C ATOM 0 H ILE A 126 20.195 -4.018 -6.609 1.00 0.00 H new ATOM 0 HA ILE A 126 22.486 -2.293 -5.850 1.00 0.00 H new ATOM 0 HB ILE A 126 21.866 -2.796 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.141 -3.519 -4.639 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.304 -4.722 -4.116 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.118 -1.031 -3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.400 -0.597 -4.524 1.00 0.00 H new ATOM 0 HG23 ILE A 126 19.838 -1.209 -5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 126 18.691 -4.215 -2.303 1.00 0.00 H new ATOM 0 HD12 ILE A 126 20.334 -3.719 -1.832 1.00 0.00 H new ATOM 0 HD13 ILE A 126 19.153 -2.497 -2.364 1.00 0.00 H new ATOM 649 N GLY A 127 23.605 -4.441 -4.762 1.00 0.00 N ATOM 650 CA GLY A 127 24.427 -5.632 -4.620 1.00 0.00 C ATOM 651 C GLY A 127 23.578 -6.850 -4.256 1.00 0.00 C ATOM 652 O GLY A 127 23.804 -7.936 -4.778 1.00 0.00 O ATOM 0 H GLY A 127 23.936 -3.641 -4.222 1.00 0.00 H new ATOM 0 HA2 GLY A 127 24.960 -5.822 -5.552 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.180 -5.467 -3.850 1.00 0.00 H new ATOM 656 N LYS A 128 22.604 -6.662 -3.358 1.00 0.00 N ATOM 657 CA LYS A 128 21.728 -7.738 -2.914 1.00 0.00 C ATOM 658 C LYS A 128 21.055 -8.418 -4.112 1.00 0.00 C ATOM 659 O LYS A 128 21.134 -9.637 -4.259 1.00 0.00 O ATOM 660 CB LYS A 128 20.675 -7.152 -1.963 1.00 0.00 C ATOM 661 CG LYS A 128 19.687 -8.239 -1.530 1.00 0.00 C ATOM 662 CD LYS A 128 18.561 -7.609 -0.705 1.00 0.00 C ATOM 663 CE LYS A 128 17.476 -8.652 -0.416 1.00 0.00 C ATOM 664 NZ LYS A 128 16.840 -9.125 -1.661 1.00 0.00 N ATOM 0 H LYS A 128 22.406 -5.761 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 128 22.314 -8.495 -2.392 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.163 -6.725 -1.087 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.140 -6.341 -2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.274 -8.739 -2.406 1.00 0.00 H new ATOM 0 HG3 LYS A 128 20.201 -8.999 -0.942 1.00 0.00 H new ATOM 0 HD2 LYS A 128 18.960 -7.218 0.231 1.00 0.00 H new ATOM 0 HD3 LYS A 128 18.131 -6.765 -1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.914 -9.497 0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 128 16.720 -8.221 0.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 15.828 -9.297 -1.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 16.949 -8.404 -2.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 17.294 -10.009 -1.969 1.00 0.00 H new ATOM 678 N GLN A 129 20.383 -7.626 -4.956 1.00 0.00 N ATOM 679 CA GLN A 129 19.650 -8.152 -6.099 1.00 0.00 C ATOM 680 C GLN A 129 20.599 -8.830 -7.084 1.00 0.00 C ATOM 681 O GLN A 129 20.373 -9.976 -7.463 1.00 0.00 O ATOM 682 CB GLN A 129 18.879 -7.013 -6.783 1.00 0.00 C ATOM 683 CG GLN A 129 17.931 -6.331 -5.783 1.00 0.00 C ATOM 684 CD GLN A 129 17.043 -7.347 -5.071 1.00 0.00 C ATOM 685 OE1 GLN A 129 17.018 -7.401 -3.841 1.00 0.00 O ATOM 686 NE2 GLN A 129 16.318 -8.154 -5.842 1.00 0.00 N ATOM 0 H GLN A 129 20.336 -6.611 -4.862 1.00 0.00 H new ATOM 0 HA GLN A 129 18.940 -8.902 -5.751 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.580 -6.282 -7.186 1.00 0.00 H new ATOM 0 HB3 GLN A 129 18.309 -7.406 -7.625 1.00 0.00 H new ATOM 0 HG2 GLN A 129 18.514 -5.777 -5.047 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.308 -5.606 -6.307 1.00 0.00 H new ATOM 0 HE21 GLN A 129 16.371 -8.073 -6.857 1.00 0.00 H new ATOM 0 HE22 GLN A 129 15.709 -8.854 -5.418 1.00 0.00 H new ATOM 695 N CYS A 130 21.656 -8.123 -7.500 1.00 0.00 N ATOM 696 CA CYS A 130 22.632 -8.672 -8.442 1.00 0.00 C ATOM 697 C CYS A 130 23.163 -10.014 -7.927 1.00 0.00 C ATOM 698 O CYS A 130 23.243 -10.984 -8.681 1.00 0.00 O ATOM 699 CB CYS A 130 23.787 -7.680 -8.631 1.00 0.00 C ATOM 700 SG CYS A 130 23.152 -6.149 -9.364 1.00 0.00 S ATOM 0 H CYS A 130 21.855 -7.169 -7.198 1.00 0.00 H new ATOM 0 HA CYS A 130 22.146 -8.836 -9.404 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.260 -7.468 -7.672 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.552 -8.114 -9.274 1.00 0.00 H new ATOM 0 HG CYS A 130 22.572 -5.436 -8.445 1.00 0.00 H new ATOM 706 N ARG A 131 23.520 -10.060 -6.639 1.00 0.00 N ATOM 707 CA ARG A 131 24.040 -11.265 -6.012 1.00 0.00 C ATOM 708 C ARG A 131 23.014 -12.396 -6.119 1.00 0.00 C ATOM 709 O ARG A 131 23.334 -13.472 -6.618 1.00 0.00 O ATOM 710 CB ARG A 131 24.380 -10.940 -4.547 1.00 0.00 C ATOM 711 CG ARG A 131 25.048 -12.139 -3.843 1.00 0.00 C ATOM 712 CD ARG A 131 24.002 -13.124 -3.281 1.00 0.00 C ATOM 713 NE ARG A 131 22.911 -12.426 -2.580 1.00 0.00 N ATOM 714 CZ ARG A 131 23.010 -11.974 -1.317 1.00 0.00 C ATOM 715 NH1 ARG A 131 24.166 -12.079 -0.648 1.00 0.00 N ATOM 716 NH2 ARG A 131 21.948 -11.414 -0.727 1.00 0.00 N ATOM 0 H ARG A 131 23.454 -9.261 -6.009 1.00 0.00 H new ATOM 0 HA ARG A 131 24.945 -11.602 -6.518 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.046 -10.078 -4.509 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.470 -10.664 -4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 131 25.697 -12.660 -4.547 1.00 0.00 H new ATOM 0 HG3 ARG A 131 25.681 -11.779 -3.032 1.00 0.00 H new ATOM 0 HD2 ARG A 131 23.588 -13.718 -4.096 1.00 0.00 H new ATOM 0 HD3 ARG A 131 24.488 -13.818 -2.596 1.00 0.00 H new ATOM 0 HE ARG A 131 22.034 -12.277 -3.079 1.00 0.00 H new ATOM 0 HH11 ARG A 131 24.978 -12.504 -1.096 1.00 0.00 H new ATOM 0 HH12 ARG A 131 24.234 -11.734 0.310 1.00 0.00 H new ATOM 0 HH21 ARG A 131 21.067 -11.331 -1.235 1.00 0.00 H new ATOM 0 HH22 ARG A 131 22.019 -11.070 0.231 1.00 0.00 H new ATOM 730 N GLU A 132 21.783 -12.150 -5.646 1.00 0.00 N ATOM 731 CA GLU A 132 20.723 -13.154 -5.674 1.00 0.00 C ATOM 732 C GLU A 132 20.504 -13.670 -7.092 1.00 0.00 C ATOM 733 O GLU A 132 20.409 -14.877 -7.295 1.00 0.00 O ATOM 734 CB GLU A 132 19.430 -12.546 -5.114 1.00 0.00 C ATOM 735 CG GLU A 132 19.339 -12.810 -3.604 1.00 0.00 C ATOM 736 CD GLU A 132 18.833 -11.584 -2.858 1.00 0.00 C ATOM 737 OE1 GLU A 132 17.832 -10.999 -3.325 1.00 0.00 O ATOM 738 OE2 GLU A 132 19.456 -11.250 -1.828 1.00 0.00 O ATOM 0 H GLU A 132 21.502 -11.258 -5.239 1.00 0.00 H new ATOM 0 HA GLU A 132 21.019 -14.000 -5.054 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.409 -11.473 -5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 132 18.566 -12.977 -5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 132 18.672 -13.652 -3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 132 20.320 -13.091 -3.222 1.00 0.00 H new ATOM 745 N ARG A 133 20.424 -12.772 -8.075 1.00 0.00 N ATOM 746 CA ARG A 133 20.216 -13.183 -9.453 1.00 0.00 C ATOM 747 C ARG A 133 21.296 -14.184 -9.859 1.00 0.00 C ATOM 748 O ARG A 133 21.022 -15.127 -10.598 1.00 0.00 O ATOM 749 CB ARG A 133 20.242 -11.953 -10.375 1.00 0.00 C ATOM 750 CG ARG A 133 19.736 -12.320 -11.780 1.00 0.00 C ATOM 751 CD ARG A 133 18.246 -12.678 -11.740 1.00 0.00 C ATOM 752 NE ARG A 133 17.708 -12.807 -13.097 1.00 0.00 N ATOM 753 CZ ARG A 133 16.473 -13.264 -13.361 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.689 -13.697 -12.369 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.026 -13.281 -14.620 1.00 0.00 N ATOM 0 H ARG A 133 20.500 -11.764 -7.939 1.00 0.00 H new ATOM 0 HA ARG A 133 19.242 -13.663 -9.546 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.621 -11.163 -9.954 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.257 -11.561 -10.439 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.897 -11.484 -12.460 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.308 -13.162 -12.170 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.106 -13.613 -11.197 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.696 -11.909 -11.197 1.00 0.00 H new ATOM 0 HE ARG A 133 18.302 -12.536 -13.881 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.028 -13.681 -11.407 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.752 -14.043 -12.574 1.00 0.00 H new ATOM 0 HH21 ARG A 133 16.622 -12.948 -15.377 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.089 -13.628 -14.824 1.00 0.00 H new ATOM 769 N TRP A 134 22.525 -13.971 -9.371 1.00 0.00 N ATOM 770 CA TRP A 134 23.648 -14.822 -9.713 1.00 0.00 C ATOM 771 C TRP A 134 23.828 -15.975 -8.719 1.00 0.00 C ATOM 772 O TRP A 134 24.890 -16.589 -8.697 1.00 0.00 O ATOM 773 CB TRP A 134 24.916 -13.973 -9.759 1.00 0.00 C ATOM 774 CG TRP A 134 25.992 -14.576 -10.592 1.00 0.00 C ATOM 775 CD1 TRP A 134 27.144 -15.103 -10.145 1.00 0.00 C ATOM 776 CD2 TRP A 134 26.013 -14.752 -12.029 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.884 -15.609 -11.185 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.224 -15.420 -12.388 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.126 -14.422 -13.076 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.525 -15.751 -13.709 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.422 -14.751 -14.402 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.616 -15.421 -14.723 1.00 0.00 C ATOM 0 H TRP A 134 22.757 -13.208 -8.735 1.00 0.00 H new ATOM 0 HA TRP A 134 23.450 -15.268 -10.688 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.671 -12.986 -10.151 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.287 -13.830 -8.744 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.447 -15.126 -9.109 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.793 -16.061 -11.086 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.204 -13.907 -12.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.449 -16.256 -13.948 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.728 -14.488 -15.187 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.832 -15.681 -15.749 1.00 0.00 H new ATOM 793 N HIS A 135 22.811 -16.280 -7.901 1.00 0.00 N ATOM 794 CA HIS A 135 22.913 -17.371 -6.935 1.00 0.00 C ATOM 795 C HIS A 135 21.537 -17.994 -6.676 1.00 0.00 C ATOM 796 O HIS A 135 21.260 -18.461 -5.573 1.00 0.00 O ATOM 797 CB HIS A 135 23.552 -16.847 -5.640 1.00 0.00 C ATOM 798 CG HIS A 135 25.045 -16.668 -5.771 1.00 0.00 C ATOM 799 ND1 HIS A 135 25.918 -17.743 -5.916 1.00 0.00 N ATOM 800 CD2 HIS A 135 25.851 -15.557 -5.793 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.160 -17.227 -6.010 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.191 -15.894 -5.940 1.00 0.00 N ATOM 0 H HIS A 135 21.917 -15.788 -7.892 1.00 0.00 H new ATOM 0 HA HIS A 135 23.550 -18.158 -7.340 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.096 -15.894 -5.372 1.00 0.00 H new ATOM 0 HB3 HIS A 135 23.341 -17.541 -4.826 1.00 0.00 H new ATOM 0 HD1 HIS A 135 25.666 -18.731 -5.945 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.488 -14.544 -5.707 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.045 -17.834 -6.130 1.00 0.00 H new ATOM 810 N ASN A 136 20.684 -18.013 -7.708 1.00 0.00 N ATOM 811 CA ASN A 136 19.364 -18.632 -7.624 1.00 0.00 C ATOM 812 C ASN A 136 19.041 -19.312 -8.943 1.00 0.00 C ATOM 813 O ASN A 136 19.050 -20.537 -9.039 1.00 0.00 O ATOM 814 CB ASN A 136 18.298 -17.574 -7.316 1.00 0.00 C ATOM 815 CG ASN A 136 18.226 -17.283 -5.829 1.00 0.00 C ATOM 816 OD1 ASN A 136 17.436 -17.888 -5.112 1.00 0.00 O ATOM 817 ND2 ASN A 136 19.048 -16.353 -5.370 1.00 0.00 N ATOM 0 H ASN A 136 20.892 -17.601 -8.618 1.00 0.00 H new ATOM 0 HA ASN A 136 19.369 -19.369 -6.821 1.00 0.00 H new ATOM 0 HB2 ASN A 136 18.526 -16.656 -7.858 1.00 0.00 H new ATOM 0 HB3 ASN A 136 17.326 -17.920 -7.669 1.00 0.00 H new ATOM 0 HD21 ASN A 136 19.042 -16.111 -4.379 1.00 0.00 H new ATOM 0 HD22 ASN A 136 19.687 -15.878 -6.007 1.00 0.00 H new ATOM 824 N HIS A 137 18.743 -18.500 -9.955 1.00 0.00 N ATOM 825 CA HIS A 137 18.358 -19.004 -11.271 1.00 0.00 C ATOM 826 C HIS A 137 19.584 -19.485 -12.051 1.00 0.00 C ATOM 827 O HIS A 137 19.536 -20.541 -12.677 1.00 0.00 O ATOM 828 CB HIS A 137 17.617 -17.911 -12.054 1.00 0.00 C ATOM 829 CG HIS A 137 16.745 -17.046 -11.184 1.00 0.00 C ATOM 830 ND1 HIS A 137 15.376 -17.241 -11.051 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.027 -15.965 -10.392 1.00 0.00 C ATOM 832 CE1 HIS A 137 14.929 -16.287 -10.208 1.00 0.00 C ATOM 833 NE2 HIS A 137 15.891 -15.472 -9.770 1.00 0.00 N ATOM 0 H HIS A 137 18.761 -17.482 -9.887 1.00 0.00 H new ATOM 0 HA HIS A 137 17.691 -19.855 -11.135 1.00 0.00 H new ATOM 0 HB2 HIS A 137 18.346 -17.282 -12.566 1.00 0.00 H new ATOM 0 HB3 HIS A 137 17.002 -18.378 -12.824 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.015 -15.547 -10.267 1.00 0.00 H new ATOM 0 HE1 HIS A 137 13.894 -16.192 -9.916 1.00 0.00 H new ATOM 0 HE2 HIS A 137 15.810 -14.680 -9.133 1.00 0.00 H new ATOM 841 N LEU A 138 20.681 -18.710 -12.019 1.00 0.00 N ATOM 842 CA LEU A 138 21.899 -19.062 -12.740 1.00 0.00 C ATOM 843 C LEU A 138 23.127 -18.702 -11.911 1.00 0.00 C ATOM 844 O LEU A 138 23.102 -17.743 -11.142 1.00 0.00 O ATOM 845 CB LEU A 138 21.935 -18.360 -14.118 1.00 0.00 C ATOM 846 CG LEU A 138 21.931 -16.819 -13.987 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.441 -16.209 -15.291 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.514 -16.295 -13.727 1.00 0.00 C ATOM 0 H LEU A 138 20.741 -17.835 -11.498 1.00 0.00 H new ATOM 0 HA LEU A 138 21.906 -20.139 -12.910 1.00 0.00 H new ATOM 0 HB2 LEU A 138 22.826 -18.675 -14.661 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.074 -18.675 -14.707 1.00 0.00 H new ATOM 0 HG LEU A 138 22.571 -16.541 -13.150 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.442 -15.122 -15.208 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.455 -16.559 -15.484 1.00 0.00 H new ATOM 0 HD13 LEU A 138 21.791 -16.510 -16.112 1.00 0.00 H new ATOM 0 HD21 LEU A 138 20.538 -15.209 -13.639 1.00 0.00 H new ATOM 0 HD22 LEU A 138 19.864 -16.577 -14.555 1.00 0.00 H new ATOM 0 HD23 LEU A 138 20.131 -16.726 -12.802 1.00 0.00 H new