USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 460 hydrogens (2 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 128 LYS NZ :NH3+ -176:sc= 0.22 (180deg=-0.156) USER MOD Set 1.2: A 129 GLN : amide:sc= -0.125 K(o=0.095,f=-5.1) USER MOD Set 2.1: A 110 TYR OH : rot -126:sc= 0.259 USER MOD Set 2.2: A 121 HIS : no HE2:sc= -0.432 K(o=-0.17,f=-2) USER MOD Set 3.1: A 92 LYS NZ :NH3+ 141:sc= 1.47 (180deg=-1.31) USER MOD Set 3.2: A 96 THR OG1 : rot 89:sc= -0.965 USER MOD Single : A 97 LYS NZ :NH3+ 145:sc= -0.0706 (180deg=-0.65) USER MOD Single : A 101 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.27) USER MOD Single : A 108 GLN : amide:sc= 1.1 K(o=1.1,f=-0.014) USER MOD Single : A 109 LYS NZ :NH3+ 172:sc= 1.11 (180deg=0.948) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ -105:sc= -0.11 (180deg=-1.2) USER MOD Single : A 123 LYS NZ :NH3+ 163:sc= -0.0358 (180deg=-0.364) USER MOD Single : A 130 CYS SG : rot 80:sc= 0.0304 USER MOD Single : A 135 HIS : no HD1:sc= -1.06 K(o=-1.1,f=-3.2!) USER MOD Single : A 136 ASN : amide:sc= 0.552 K(o=0.55,f=-0.11) USER MOD Single : A 137 HIS : no HD1:sc= -0.0536 X(o=-0.054,f=0) USER MOD Single : A 139 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.7) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 90 8.852 -2.441 -7.473 1.00 0.00 N ATOM 2 CA LEU A 90 10.188 -1.832 -7.340 1.00 0.00 C ATOM 3 C LEU A 90 11.019 -2.155 -8.577 1.00 0.00 C ATOM 4 O LEU A 90 11.001 -3.292 -9.044 1.00 0.00 O ATOM 5 CB LEU A 90 10.896 -2.345 -6.075 1.00 0.00 C ATOM 6 CG LEU A 90 10.640 -1.398 -4.892 1.00 0.00 C ATOM 7 CD1 LEU A 90 9.151 -1.382 -4.533 1.00 0.00 C ATOM 8 CD2 LEU A 90 11.447 -1.875 -3.682 1.00 0.00 C ATOM 0 HA LEU A 90 10.076 -0.751 -7.251 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.538 -3.345 -5.831 1.00 0.00 H new ATOM 0 HB3 LEU A 90 11.967 -2.426 -6.258 1.00 0.00 H new ATOM 0 HG LEU A 90 10.946 -0.390 -5.172 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.986 -0.707 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 90 8.573 -1.041 -5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.832 -2.387 -4.258 1.00 0.00 H new ATOM 0 HD21 LEU A 90 11.269 -1.207 -2.840 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.139 -2.886 -3.415 1.00 0.00 H new ATOM 0 HD23 LEU A 90 12.509 -1.873 -3.929 1.00 0.00 H new ATOM 22 N ILE A 91 11.742 -1.149 -9.103 1.00 0.00 N ATOM 23 CA ILE A 91 12.575 -1.307 -10.298 1.00 0.00 C ATOM 24 C ILE A 91 11.679 -1.629 -11.506 1.00 0.00 C ATOM 25 O ILE A 91 10.464 -1.770 -11.362 1.00 0.00 O ATOM 26 CB ILE A 91 13.642 -2.409 -10.059 1.00 0.00 C ATOM 27 CG1 ILE A 91 14.331 -2.208 -8.693 1.00 0.00 C ATOM 28 CG2 ILE A 91 14.703 -2.373 -11.170 1.00 0.00 C ATOM 29 CD1 ILE A 91 14.874 -0.780 -8.563 1.00 0.00 C ATOM 0 H ILE A 91 11.762 -0.208 -8.709 1.00 0.00 H new ATOM 0 HA ILE A 91 13.106 -0.379 -10.509 1.00 0.00 H new ATOM 0 HB ILE A 91 13.139 -3.376 -10.068 1.00 0.00 H new ATOM 0 HG12 ILE A 91 13.621 -2.407 -7.890 1.00 0.00 H new ATOM 0 HG13 ILE A 91 15.146 -2.923 -8.583 1.00 0.00 H new ATOM 0 HG21 ILE A 91 15.445 -3.151 -10.990 1.00 0.00 H new ATOM 0 HG22 ILE A 91 14.225 -2.543 -12.135 1.00 0.00 H new ATOM 0 HG23 ILE A 91 15.192 -1.399 -11.174 1.00 0.00 H new ATOM 0 HD11 ILE A 91 15.356 -0.661 -7.592 1.00 0.00 H new ATOM 0 HD12 ILE A 91 15.601 -0.594 -9.354 1.00 0.00 H new ATOM 0 HD13 ILE A 91 14.052 -0.069 -8.650 1.00 0.00 H new ATOM 41 N LYS A 92 12.280 -1.738 -12.700 1.00 0.00 N ATOM 42 CA LYS A 92 11.538 -2.054 -13.912 1.00 0.00 C ATOM 43 C LYS A 92 11.141 -3.540 -13.904 1.00 0.00 C ATOM 44 O LYS A 92 10.971 -4.127 -12.835 1.00 0.00 O ATOM 45 CB LYS A 92 12.379 -1.672 -15.148 1.00 0.00 C ATOM 46 CG LYS A 92 13.685 -2.483 -15.219 1.00 0.00 C ATOM 47 CD LYS A 92 14.475 -2.040 -16.459 1.00 0.00 C ATOM 48 CE LYS A 92 15.814 -2.783 -16.539 1.00 0.00 C ATOM 49 NZ LYS A 92 15.624 -4.205 -16.875 1.00 0.00 N ATOM 0 H LYS A 92 13.282 -1.610 -12.844 1.00 0.00 H new ATOM 0 HA LYS A 92 10.616 -1.474 -13.954 1.00 0.00 H new ATOM 0 HB2 LYS A 92 11.795 -1.842 -16.053 1.00 0.00 H new ATOM 0 HB3 LYS A 92 12.613 -0.608 -15.115 1.00 0.00 H new ATOM 0 HG2 LYS A 92 14.277 -2.325 -14.318 1.00 0.00 H new ATOM 0 HG3 LYS A 92 13.465 -3.549 -15.273 1.00 0.00 H new ATOM 0 HD2 LYS A 92 13.890 -2.235 -17.358 1.00 0.00 H new ATOM 0 HD3 LYS A 92 14.651 -0.965 -16.420 1.00 0.00 H new ATOM 0 HE2 LYS A 92 16.448 -2.312 -17.290 1.00 0.00 H new ATOM 0 HE3 LYS A 92 16.335 -2.700 -15.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 16.373 -4.510 -17.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 15.668 -4.776 -16.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 14.696 -4.334 -17.327 1.00 0.00 H new ATOM 63 N GLY A 93 10.985 -4.144 -15.093 1.00 0.00 N ATOM 64 CA GLY A 93 10.587 -5.541 -15.214 1.00 0.00 C ATOM 65 C GLY A 93 11.387 -6.432 -14.251 1.00 0.00 C ATOM 66 O GLY A 93 12.571 -6.175 -14.016 1.00 0.00 O ATOM 0 H GLY A 93 11.132 -3.675 -15.987 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.522 -5.638 -15.003 1.00 0.00 H new ATOM 0 HA3 GLY A 93 10.741 -5.878 -16.239 1.00 0.00 H new ATOM 70 N PRO A 94 10.744 -7.483 -13.689 1.00 0.00 N ATOM 71 CA PRO A 94 11.386 -8.395 -12.761 1.00 0.00 C ATOM 72 C PRO A 94 12.508 -9.163 -13.459 1.00 0.00 C ATOM 73 O PRO A 94 12.286 -10.242 -14.001 1.00 0.00 O ATOM 74 CB PRO A 94 10.275 -9.330 -12.263 1.00 0.00 C ATOM 75 CG PRO A 94 9.060 -9.082 -13.162 1.00 0.00 C ATOM 76 CD PRO A 94 9.354 -7.805 -13.949 1.00 0.00 C ATOM 0 HA PRO A 94 11.853 -7.873 -11.926 1.00 0.00 H new ATOM 0 HB2 PRO A 94 10.592 -10.372 -12.318 1.00 0.00 H new ATOM 0 HB3 PRO A 94 10.034 -9.124 -11.220 1.00 0.00 H new ATOM 0 HG2 PRO A 94 8.898 -9.924 -13.835 1.00 0.00 H new ATOM 0 HG3 PRO A 94 8.154 -8.971 -12.567 1.00 0.00 H new ATOM 0 HD2 PRO A 94 9.182 -7.956 -15.015 1.00 0.00 H new ATOM 0 HD3 PRO A 94 8.700 -6.993 -13.632 1.00 0.00 H new ATOM 84 N TRP A 95 13.716 -8.587 -13.431 1.00 0.00 N ATOM 85 CA TRP A 95 14.900 -9.177 -14.033 1.00 0.00 C ATOM 86 C TRP A 95 14.636 -9.579 -15.482 1.00 0.00 C ATOM 87 O TRP A 95 14.363 -10.741 -15.784 1.00 0.00 O ATOM 88 CB TRP A 95 15.374 -10.353 -13.180 1.00 0.00 C ATOM 89 CG TRP A 95 16.291 -9.935 -12.081 1.00 0.00 C ATOM 90 CD1 TRP A 95 16.052 -10.020 -10.763 1.00 0.00 C ATOM 91 CD2 TRP A 95 17.600 -9.320 -12.200 1.00 0.00 C ATOM 92 NE1 TRP A 95 17.111 -9.514 -10.041 1.00 0.00 N ATOM 93 CE2 TRP A 95 18.106 -9.057 -10.892 1.00 0.00 C ATOM 94 CE3 TRP A 95 18.410 -8.951 -13.288 1.00 0.00 C ATOM 95 CZ2 TRP A 95 19.353 -8.458 -10.683 1.00 0.00 C ATOM 96 CZ3 TRP A 95 19.656 -8.334 -13.088 1.00 0.00 C ATOM 97 CH2 TRP A 95 20.131 -8.088 -11.787 1.00 0.00 C ATOM 0 H TRP A 95 13.892 -7.688 -12.983 1.00 0.00 H new ATOM 0 HA TRP A 95 15.700 -8.437 -14.061 1.00 0.00 H new ATOM 0 HB2 TRP A 95 14.508 -10.858 -12.752 1.00 0.00 H new ATOM 0 HB3 TRP A 95 15.883 -11.076 -13.817 1.00 0.00 H new ATOM 0 HD1 TRP A 95 15.152 -10.429 -10.328 1.00 0.00 H new ATOM 0 HE1 TRP A 95 17.157 -9.480 -9.023 1.00 0.00 H new ATOM 0 HE3 TRP A 95 18.069 -9.145 -14.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 19.712 -8.283 -9.680 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 20.254 -8.046 -13.940 1.00 0.00 H new ATOM 0 HH2 TRP A 95 21.091 -7.616 -11.640 1.00 0.00 H new ATOM 108 N THR A 96 14.733 -8.593 -16.377 1.00 0.00 N ATOM 109 CA THR A 96 14.523 -8.803 -17.798 1.00 0.00 C ATOM 110 C THR A 96 15.724 -9.536 -18.388 1.00 0.00 C ATOM 111 O THR A 96 16.775 -9.625 -17.751 1.00 0.00 O ATOM 112 CB THR A 96 14.340 -7.442 -18.485 1.00 0.00 C ATOM 113 OG1 THR A 96 15.579 -6.764 -18.517 1.00 0.00 O ATOM 114 CG2 THR A 96 13.323 -6.599 -17.712 1.00 0.00 C ATOM 0 H THR A 96 14.960 -7.630 -16.130 1.00 0.00 H new ATOM 0 HA THR A 96 13.630 -9.408 -17.957 1.00 0.00 H new ATOM 0 HB THR A 96 13.978 -7.600 -19.501 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.064 -7.007 -19.333 1.00 0.00 H new ATOM 0 HG21 THR A 96 13.199 -5.635 -18.206 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.365 -7.119 -17.685 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.679 -6.442 -16.694 1.00 0.00 H new ATOM 122 N LYS A 97 15.577 -10.056 -19.611 1.00 0.00 N ATOM 123 CA LYS A 97 16.671 -10.745 -20.276 1.00 0.00 C ATOM 124 C LYS A 97 17.787 -9.734 -20.569 1.00 0.00 C ATOM 125 O LYS A 97 18.962 -10.088 -20.573 1.00 0.00 O ATOM 126 CB LYS A 97 16.168 -11.413 -21.566 1.00 0.00 C ATOM 127 CG LYS A 97 16.375 -12.932 -21.478 1.00 0.00 C ATOM 128 CD LYS A 97 17.874 -13.272 -21.508 1.00 0.00 C ATOM 129 CE LYS A 97 18.133 -14.575 -20.739 1.00 0.00 C ATOM 130 NZ LYS A 97 18.031 -14.368 -19.279 1.00 0.00 N ATOM 0 H LYS A 97 14.714 -10.010 -20.152 1.00 0.00 H new ATOM 0 HA LYS A 97 17.067 -11.530 -19.632 1.00 0.00 H new ATOM 0 HB2 LYS A 97 15.112 -11.188 -21.715 1.00 0.00 H new ATOM 0 HB3 LYS A 97 16.704 -11.013 -22.427 1.00 0.00 H new ATOM 0 HG2 LYS A 97 15.927 -13.314 -20.560 1.00 0.00 H new ATOM 0 HG3 LYS A 97 15.868 -13.423 -22.308 1.00 0.00 H new ATOM 0 HD2 LYS A 97 18.211 -13.376 -22.539 1.00 0.00 H new ATOM 0 HD3 LYS A 97 18.449 -12.458 -21.065 1.00 0.00 H new ATOM 0 HE2 LYS A 97 17.415 -15.333 -21.052 1.00 0.00 H new ATOM 0 HE3 LYS A 97 19.125 -14.954 -20.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 17.626 -15.217 -18.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 18.978 -14.191 -18.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 17.418 -13.550 -19.086 1.00 0.00 H new ATOM 144 N GLU A 98 17.405 -8.471 -20.802 1.00 0.00 N ATOM 145 CA GLU A 98 18.353 -7.394 -21.046 1.00 0.00 C ATOM 146 C GLU A 98 19.203 -7.183 -19.789 1.00 0.00 C ATOM 147 O GLU A 98 20.430 -7.110 -19.868 1.00 0.00 O ATOM 148 CB GLU A 98 17.561 -6.128 -21.440 1.00 0.00 C ATOM 149 CG GLU A 98 18.339 -4.840 -21.102 1.00 0.00 C ATOM 150 CD GLU A 98 18.016 -4.327 -19.693 1.00 0.00 C ATOM 151 OE1 GLU A 98 16.846 -4.489 -19.270 1.00 0.00 O ATOM 152 OE2 GLU A 98 18.944 -3.777 -19.063 1.00 0.00 O ATOM 0 H GLU A 98 16.429 -8.175 -20.825 1.00 0.00 H new ATOM 0 HA GLU A 98 19.032 -7.636 -21.863 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.344 -6.152 -22.508 1.00 0.00 H new ATOM 0 HB3 GLU A 98 16.603 -6.122 -20.920 1.00 0.00 H new ATOM 0 HG2 GLU A 98 19.409 -5.031 -21.182 1.00 0.00 H new ATOM 0 HG3 GLU A 98 18.098 -4.068 -21.833 1.00 0.00 H new ATOM 159 N GLU A 99 18.544 -7.096 -18.631 1.00 0.00 N ATOM 160 CA GLU A 99 19.227 -6.909 -17.362 1.00 0.00 C ATOM 161 C GLU A 99 20.127 -8.120 -17.081 1.00 0.00 C ATOM 162 O GLU A 99 21.258 -7.961 -16.621 1.00 0.00 O ATOM 163 CB GLU A 99 18.177 -6.707 -16.260 1.00 0.00 C ATOM 164 CG GLU A 99 18.565 -5.516 -15.374 1.00 0.00 C ATOM 165 CD GLU A 99 17.404 -5.076 -14.484 1.00 0.00 C ATOM 166 OE1 GLU A 99 16.311 -5.683 -14.605 1.00 0.00 O ATOM 167 OE2 GLU A 99 17.623 -4.132 -13.700 1.00 0.00 O ATOM 0 H GLU A 99 17.529 -7.154 -18.553 1.00 0.00 H new ATOM 0 HA GLU A 99 19.865 -6.026 -17.393 1.00 0.00 H new ATOM 0 HB2 GLU A 99 17.198 -6.534 -16.707 1.00 0.00 H new ATOM 0 HB3 GLU A 99 18.096 -7.610 -15.654 1.00 0.00 H new ATOM 0 HG2 GLU A 99 19.418 -5.787 -14.752 1.00 0.00 H new ATOM 0 HG3 GLU A 99 18.880 -4.682 -16.001 1.00 0.00 H new ATOM 174 N ASP A 100 19.625 -9.329 -17.373 1.00 0.00 N ATOM 175 CA ASP A 100 20.394 -10.556 -17.191 1.00 0.00 C ATOM 176 C ASP A 100 21.651 -10.516 -18.055 1.00 0.00 C ATOM 177 O ASP A 100 22.738 -10.833 -17.583 1.00 0.00 O ATOM 178 CB ASP A 100 19.533 -11.767 -17.582 1.00 0.00 C ATOM 179 CG ASP A 100 18.886 -12.425 -16.378 1.00 0.00 C ATOM 180 OD1 ASP A 100 18.762 -11.743 -15.343 1.00 0.00 O ATOM 181 OD2 ASP A 100 18.517 -13.613 -16.520 1.00 0.00 O ATOM 0 H ASP A 100 18.684 -9.477 -17.738 1.00 0.00 H new ATOM 0 HA ASP A 100 20.686 -10.643 -16.144 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.758 -11.449 -18.280 1.00 0.00 H new ATOM 0 HB3 ASP A 100 20.152 -12.497 -18.104 1.00 0.00 H new ATOM 186 N GLN A 101 21.498 -10.130 -19.328 1.00 0.00 N ATOM 187 CA GLN A 101 22.617 -10.060 -20.255 1.00 0.00 C ATOM 188 C GLN A 101 23.709 -9.163 -19.678 1.00 0.00 C ATOM 189 O GLN A 101 24.888 -9.511 -19.724 1.00 0.00 O ATOM 190 CB GLN A 101 22.125 -9.529 -21.608 1.00 0.00 C ATOM 191 CG GLN A 101 23.208 -9.721 -22.677 1.00 0.00 C ATOM 192 CD GLN A 101 23.487 -11.202 -22.921 1.00 0.00 C ATOM 193 OE1 GLN A 101 24.589 -11.679 -22.667 1.00 0.00 O ATOM 194 NE2 GLN A 101 22.485 -11.930 -23.413 1.00 0.00 N ATOM 0 H GLN A 101 20.602 -9.861 -19.734 1.00 0.00 H new ATOM 0 HA GLN A 101 23.037 -11.054 -20.405 1.00 0.00 H new ATOM 0 HB2 GLN A 101 21.215 -10.052 -21.903 1.00 0.00 H new ATOM 0 HB3 GLN A 101 21.872 -8.472 -21.522 1.00 0.00 H new ATOM 0 HG2 GLN A 101 22.892 -9.250 -23.608 1.00 0.00 H new ATOM 0 HG3 GLN A 101 24.125 -9.222 -22.363 1.00 0.00 H new ATOM 0 HE21 GLN A 101 21.585 -11.492 -23.610 1.00 0.00 H new ATOM 0 HE22 GLN A 101 22.618 -12.925 -23.593 1.00 0.00 H new ATOM 203 N ARG A 102 23.313 -8.009 -19.128 1.00 0.00 N ATOM 204 CA ARG A 102 24.259 -7.080 -18.537 1.00 0.00 C ATOM 205 C ARG A 102 24.980 -7.752 -17.366 1.00 0.00 C ATOM 206 O ARG A 102 26.197 -7.675 -17.278 1.00 0.00 O ATOM 207 CB ARG A 102 23.529 -5.814 -18.082 1.00 0.00 C ATOM 208 CG ARG A 102 23.071 -5.011 -19.306 1.00 0.00 C ATOM 209 CD ARG A 102 22.000 -3.999 -18.892 1.00 0.00 C ATOM 210 NE ARG A 102 22.549 -2.964 -18.007 1.00 0.00 N ATOM 211 CZ ARG A 102 21.789 -2.002 -17.453 1.00 0.00 C ATOM 212 NH1 ARG A 102 20.471 -1.964 -17.692 1.00 0.00 N ATOM 213 NH2 ARG A 102 22.349 -1.077 -16.660 1.00 0.00 N ATOM 0 H ARG A 102 22.341 -7.704 -19.084 1.00 0.00 H new ATOM 0 HA ARG A 102 25.004 -6.795 -19.280 1.00 0.00 H new ATOM 0 HB2 ARG A 102 22.669 -6.080 -17.467 1.00 0.00 H new ATOM 0 HB3 ARG A 102 24.188 -5.206 -17.462 1.00 0.00 H new ATOM 0 HG2 ARG A 102 23.921 -4.493 -19.751 1.00 0.00 H new ATOM 0 HG3 ARG A 102 22.674 -5.684 -20.066 1.00 0.00 H new ATOM 0 HD2 ARG A 102 21.577 -3.532 -19.781 1.00 0.00 H new ATOM 0 HD3 ARG A 102 21.185 -4.517 -18.386 1.00 0.00 H new ATOM 0 HE ARG A 102 23.548 -2.975 -17.804 1.00 0.00 H new ATOM 0 HH11 ARG A 102 20.042 -2.666 -18.295 1.00 0.00 H new ATOM 0 HH12 ARG A 102 19.897 -1.234 -17.271 1.00 0.00 H new ATOM 0 HH21 ARG A 102 23.352 -1.102 -16.476 1.00 0.00 H new ATOM 0 HH22 ARG A 102 21.772 -0.348 -16.240 1.00 0.00 H new ATOM 227 N VAL A 103 24.231 -8.416 -16.468 1.00 0.00 N ATOM 228 CA VAL A 103 24.835 -9.103 -15.325 1.00 0.00 C ATOM 229 C VAL A 103 25.879 -10.103 -15.819 1.00 0.00 C ATOM 230 O VAL A 103 27.021 -10.066 -15.381 1.00 0.00 O ATOM 231 CB VAL A 103 23.752 -9.823 -14.503 1.00 0.00 C ATOM 232 CG1 VAL A 103 24.406 -10.775 -13.497 1.00 0.00 C ATOM 233 CG2 VAL A 103 22.917 -8.804 -13.738 1.00 0.00 C ATOM 0 H VAL A 103 23.215 -8.488 -16.515 1.00 0.00 H new ATOM 0 HA VAL A 103 25.322 -8.368 -14.684 1.00 0.00 H new ATOM 0 HB VAL A 103 23.115 -10.386 -15.185 1.00 0.00 H new ATOM 0 HG11 VAL A 103 23.633 -11.281 -12.919 1.00 0.00 H new ATOM 0 HG12 VAL A 103 25.002 -11.515 -14.031 1.00 0.00 H new ATOM 0 HG13 VAL A 103 25.049 -10.208 -12.824 1.00 0.00 H new ATOM 0 HG21 VAL A 103 22.152 -9.322 -13.159 1.00 0.00 H new ATOM 0 HG22 VAL A 103 23.561 -8.238 -13.065 1.00 0.00 H new ATOM 0 HG23 VAL A 103 22.439 -8.123 -14.442 1.00 0.00 H new ATOM 243 N ILE A 104 25.474 -10.996 -16.730 1.00 0.00 N ATOM 244 CA ILE A 104 26.361 -12.015 -17.276 1.00 0.00 C ATOM 245 C ILE A 104 27.647 -11.367 -17.801 1.00 0.00 C ATOM 246 O ILE A 104 28.743 -11.788 -17.442 1.00 0.00 O ATOM 247 CB ILE A 104 25.625 -12.766 -18.401 1.00 0.00 C ATOM 248 CG1 ILE A 104 24.505 -13.636 -17.811 1.00 0.00 C ATOM 249 CG2 ILE A 104 26.614 -13.653 -19.172 1.00 0.00 C ATOM 250 CD1 ILE A 104 23.528 -14.050 -18.916 1.00 0.00 C ATOM 0 H ILE A 104 24.526 -11.028 -17.104 1.00 0.00 H new ATOM 0 HA ILE A 104 26.638 -12.724 -16.496 1.00 0.00 H new ATOM 0 HB ILE A 104 25.188 -12.036 -19.083 1.00 0.00 H new ATOM 0 HG12 ILE A 104 24.931 -14.522 -17.340 1.00 0.00 H new ATOM 0 HG13 ILE A 104 23.976 -13.085 -17.034 1.00 0.00 H new ATOM 0 HG21 ILE A 104 26.086 -14.181 -19.966 1.00 0.00 H new ATOM 0 HG22 ILE A 104 27.397 -13.032 -19.607 1.00 0.00 H new ATOM 0 HG23 ILE A 104 27.062 -14.376 -18.490 1.00 0.00 H new ATOM 0 HD11 ILE A 104 22.737 -14.667 -18.490 1.00 0.00 H new ATOM 0 HD12 ILE A 104 23.091 -13.159 -19.367 1.00 0.00 H new ATOM 0 HD13 ILE A 104 24.061 -14.619 -19.678 1.00 0.00 H new ATOM 262 N GLU A 105 27.503 -10.346 -18.653 1.00 0.00 N ATOM 263 CA GLU A 105 28.640 -9.653 -19.244 1.00 0.00 C ATOM 264 C GLU A 105 29.548 -9.077 -18.151 1.00 0.00 C ATOM 265 O GLU A 105 30.743 -9.364 -18.118 1.00 0.00 O ATOM 266 CB GLU A 105 28.109 -8.542 -20.167 1.00 0.00 C ATOM 267 CG GLU A 105 29.260 -7.682 -20.708 1.00 0.00 C ATOM 268 CD GLU A 105 30.293 -8.529 -21.440 1.00 0.00 C ATOM 269 OE1 GLU A 105 29.872 -9.310 -22.318 1.00 0.00 O ATOM 270 OE2 GLU A 105 31.488 -8.377 -21.108 1.00 0.00 O ATOM 0 H GLU A 105 26.597 -9.982 -18.948 1.00 0.00 H new ATOM 0 HA GLU A 105 29.239 -10.352 -19.827 1.00 0.00 H new ATOM 0 HB2 GLU A 105 27.560 -8.985 -20.997 1.00 0.00 H new ATOM 0 HB3 GLU A 105 27.407 -7.914 -19.619 1.00 0.00 H new ATOM 0 HG2 GLU A 105 28.863 -6.925 -21.384 1.00 0.00 H new ATOM 0 HG3 GLU A 105 29.739 -7.153 -19.884 1.00 0.00 H new ATOM 277 N LEU A 106 28.977 -8.257 -17.265 1.00 0.00 N ATOM 278 CA LEU A 106 29.730 -7.605 -16.201 1.00 0.00 C ATOM 279 C LEU A 106 30.433 -8.639 -15.315 1.00 0.00 C ATOM 280 O LEU A 106 31.561 -8.416 -14.885 1.00 0.00 O ATOM 281 CB LEU A 106 28.779 -6.738 -15.363 1.00 0.00 C ATOM 282 CG LEU A 106 28.202 -5.590 -16.211 1.00 0.00 C ATOM 283 CD1 LEU A 106 26.945 -5.041 -15.531 1.00 0.00 C ATOM 284 CD2 LEU A 106 29.232 -4.467 -16.345 1.00 0.00 C ATOM 0 H LEU A 106 27.983 -8.030 -17.268 1.00 0.00 H new ATOM 0 HA LEU A 106 30.498 -6.973 -16.647 1.00 0.00 H new ATOM 0 HB2 LEU A 106 27.968 -7.352 -14.973 1.00 0.00 H new ATOM 0 HB3 LEU A 106 29.312 -6.330 -14.504 1.00 0.00 H new ATOM 0 HG LEU A 106 27.954 -5.969 -17.202 1.00 0.00 H new ATOM 0 HD11 LEU A 106 26.534 -4.228 -16.129 1.00 0.00 H new ATOM 0 HD12 LEU A 106 26.204 -5.835 -15.440 1.00 0.00 H new ATOM 0 HD13 LEU A 106 27.201 -4.669 -14.539 1.00 0.00 H new ATOM 0 HD21 LEU A 106 28.814 -3.660 -16.947 1.00 0.00 H new ATOM 0 HD22 LEU A 106 29.487 -4.087 -15.356 1.00 0.00 H new ATOM 0 HD23 LEU A 106 30.130 -4.852 -16.828 1.00 0.00 H new ATOM 296 N VAL A 107 29.770 -9.766 -15.040 1.00 0.00 N ATOM 297 CA VAL A 107 30.336 -10.809 -14.192 1.00 0.00 C ATOM 298 C VAL A 107 31.498 -11.484 -14.913 1.00 0.00 C ATOM 299 O VAL A 107 32.548 -11.688 -14.323 1.00 0.00 O ATOM 300 CB VAL A 107 29.248 -11.830 -13.820 1.00 0.00 C ATOM 301 CG1 VAL A 107 29.895 -13.109 -13.275 1.00 0.00 C ATOM 302 CG2 VAL A 107 28.339 -11.236 -12.742 1.00 0.00 C ATOM 0 H VAL A 107 28.837 -9.976 -15.396 1.00 0.00 H new ATOM 0 HA VAL A 107 30.714 -10.365 -13.271 1.00 0.00 H new ATOM 0 HB VAL A 107 28.665 -12.067 -14.710 1.00 0.00 H new ATOM 0 HG11 VAL A 107 29.118 -13.827 -13.014 1.00 0.00 H new ATOM 0 HG12 VAL A 107 30.546 -13.540 -14.035 1.00 0.00 H new ATOM 0 HG13 VAL A 107 30.482 -12.870 -12.388 1.00 0.00 H new ATOM 0 HG21 VAL A 107 27.567 -11.959 -12.478 1.00 0.00 H new ATOM 0 HG22 VAL A 107 28.931 -10.997 -11.858 1.00 0.00 H new ATOM 0 HG23 VAL A 107 27.870 -10.328 -13.121 1.00 0.00 H new ATOM 312 N GLN A 108 31.311 -11.827 -16.186 1.00 0.00 N ATOM 313 CA GLN A 108 32.357 -12.468 -16.968 1.00 0.00 C ATOM 314 C GLN A 108 33.555 -11.522 -17.107 1.00 0.00 C ATOM 315 O GLN A 108 34.697 -11.970 -17.186 1.00 0.00 O ATOM 316 CB GLN A 108 31.791 -12.846 -18.343 1.00 0.00 C ATOM 317 CG GLN A 108 32.789 -13.729 -19.098 1.00 0.00 C ATOM 318 CD GLN A 108 32.235 -14.134 -20.460 1.00 0.00 C ATOM 319 OE1 GLN A 108 32.644 -13.593 -21.484 1.00 0.00 O ATOM 320 NE2 GLN A 108 31.303 -15.087 -20.473 1.00 0.00 N ATOM 0 H GLN A 108 30.441 -11.670 -16.696 1.00 0.00 H new ATOM 0 HA GLN A 108 32.699 -13.373 -16.467 1.00 0.00 H new ATOM 0 HB2 GLN A 108 30.845 -13.374 -18.223 1.00 0.00 H new ATOM 0 HB3 GLN A 108 31.582 -11.945 -18.919 1.00 0.00 H new ATOM 0 HG2 GLN A 108 33.729 -13.193 -19.228 1.00 0.00 H new ATOM 0 HG3 GLN A 108 33.009 -14.620 -18.511 1.00 0.00 H new ATOM 0 HE21 GLN A 108 30.993 -15.509 -19.598 1.00 0.00 H new ATOM 0 HE22 GLN A 108 30.900 -15.394 -21.358 1.00 0.00 H new ATOM 329 N LYS A 109 33.285 -10.211 -17.140 1.00 0.00 N ATOM 330 CA LYS A 109 34.319 -9.204 -17.300 1.00 0.00 C ATOM 331 C LYS A 109 35.080 -8.975 -15.987 1.00 0.00 C ATOM 332 O LYS A 109 36.276 -9.247 -15.911 1.00 0.00 O ATOM 333 CB LYS A 109 33.658 -7.908 -17.786 1.00 0.00 C ATOM 334 CG LYS A 109 34.733 -6.903 -18.220 1.00 0.00 C ATOM 335 CD LYS A 109 34.149 -5.924 -19.249 1.00 0.00 C ATOM 336 CE LYS A 109 34.538 -6.356 -20.670 1.00 0.00 C ATOM 337 NZ LYS A 109 34.066 -7.721 -20.970 1.00 0.00 N ATOM 0 H LYS A 109 32.343 -9.828 -17.056 1.00 0.00 H new ATOM 0 HA LYS A 109 35.050 -9.544 -18.033 1.00 0.00 H new ATOM 0 HB2 LYS A 109 32.990 -8.121 -18.620 1.00 0.00 H new ATOM 0 HB3 LYS A 109 33.048 -7.480 -16.990 1.00 0.00 H new ATOM 0 HG2 LYS A 109 35.102 -6.355 -17.353 1.00 0.00 H new ATOM 0 HG3 LYS A 109 35.584 -7.431 -18.650 1.00 0.00 H new ATOM 0 HD2 LYS A 109 33.064 -5.891 -19.155 1.00 0.00 H new ATOM 0 HD3 LYS A 109 34.517 -4.917 -19.053 1.00 0.00 H new ATOM 0 HE2 LYS A 109 34.115 -5.657 -21.392 1.00 0.00 H new ATOM 0 HE3 LYS A 109 35.621 -6.312 -20.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 34.225 -7.930 -21.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 34.590 -8.405 -20.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 33.050 -7.792 -20.758 1.00 0.00 H new ATOM 351 N TYR A 110 34.388 -8.460 -14.964 1.00 0.00 N ATOM 352 CA TYR A 110 35.007 -8.142 -13.682 1.00 0.00 C ATOM 353 C TYR A 110 35.285 -9.410 -12.879 1.00 0.00 C ATOM 354 O TYR A 110 36.374 -9.568 -12.327 1.00 0.00 O ATOM 355 CB TYR A 110 34.075 -7.212 -12.895 1.00 0.00 C ATOM 356 CG TYR A 110 33.962 -5.828 -13.497 1.00 0.00 C ATOM 357 CD1 TYR A 110 35.087 -4.983 -13.533 1.00 0.00 C ATOM 358 CD2 TYR A 110 32.735 -5.382 -14.020 1.00 0.00 C ATOM 359 CE1 TYR A 110 34.985 -3.699 -14.094 1.00 0.00 C ATOM 360 CE2 TYR A 110 32.635 -4.099 -14.580 1.00 0.00 C ATOM 361 CZ TYR A 110 33.758 -3.258 -14.618 1.00 0.00 C ATOM 362 OH TYR A 110 33.659 -2.013 -15.165 1.00 0.00 O ATOM 0 H TYR A 110 33.390 -8.255 -15.005 1.00 0.00 H new ATOM 0 HA TYR A 110 35.961 -7.646 -13.862 1.00 0.00 H new ATOM 0 HB2 TYR A 110 33.083 -7.661 -12.845 1.00 0.00 H new ATOM 0 HB3 TYR A 110 34.438 -7.127 -11.871 1.00 0.00 H new ATOM 0 HD1 TYR A 110 36.029 -5.322 -13.129 1.00 0.00 H new ATOM 0 HD2 TYR A 110 31.869 -6.027 -13.991 1.00 0.00 H new ATOM 0 HE1 TYR A 110 35.849 -3.051 -14.123 1.00 0.00 H new ATOM 0 HE2 TYR A 110 31.692 -3.758 -14.982 1.00 0.00 H new ATOM 0 HH TYR A 110 32.923 -1.526 -14.739 1.00 0.00 H new ATOM 372 N GLY A 111 34.293 -10.299 -12.803 1.00 0.00 N ATOM 373 CA GLY A 111 34.395 -11.529 -12.033 1.00 0.00 C ATOM 374 C GLY A 111 33.410 -11.469 -10.864 1.00 0.00 C ATOM 375 O GLY A 111 33.052 -10.378 -10.422 1.00 0.00 O ATOM 0 H GLY A 111 33.397 -10.181 -13.276 1.00 0.00 H new ATOM 0 HA2 GLY A 111 34.176 -12.389 -12.666 1.00 0.00 H new ATOM 0 HA3 GLY A 111 35.412 -11.658 -11.662 1.00 0.00 H new ATOM 379 N PRO A 112 32.967 -12.632 -10.354 1.00 0.00 N ATOM 380 CA PRO A 112 32.040 -12.690 -9.240 1.00 0.00 C ATOM 381 C PRO A 112 32.643 -12.034 -7.991 1.00 0.00 C ATOM 382 O PRO A 112 33.829 -11.708 -7.965 1.00 0.00 O ATOM 383 CB PRO A 112 31.758 -14.179 -9.010 1.00 0.00 C ATOM 384 CG PRO A 112 32.670 -14.960 -9.966 1.00 0.00 C ATOM 385 CD PRO A 112 33.361 -13.929 -10.858 1.00 0.00 C ATOM 0 HA PRO A 112 31.121 -12.144 -9.452 1.00 0.00 H new ATOM 0 HB2 PRO A 112 31.958 -14.454 -7.975 1.00 0.00 H new ATOM 0 HB3 PRO A 112 30.710 -14.408 -9.203 1.00 0.00 H new ATOM 0 HG2 PRO A 112 33.404 -15.544 -9.410 1.00 0.00 H new ATOM 0 HG3 PRO A 112 32.091 -15.663 -10.565 1.00 0.00 H new ATOM 0 HD2 PRO A 112 34.444 -14.048 -10.823 1.00 0.00 H new ATOM 0 HD3 PRO A 112 33.060 -14.050 -11.899 1.00 0.00 H new ATOM 393 N LYS A 113 31.805 -11.847 -6.958 1.00 0.00 N ATOM 394 CA LYS A 113 32.213 -11.240 -5.687 1.00 0.00 C ATOM 395 C LYS A 113 32.627 -9.776 -5.874 1.00 0.00 C ATOM 396 O LYS A 113 33.358 -9.231 -5.050 1.00 0.00 O ATOM 397 CB LYS A 113 33.349 -12.044 -5.043 1.00 0.00 C ATOM 398 CG LYS A 113 32.948 -13.514 -4.912 1.00 0.00 C ATOM 399 CD LYS A 113 33.939 -14.222 -3.990 1.00 0.00 C ATOM 400 CE LYS A 113 33.625 -15.720 -3.945 1.00 0.00 C ATOM 401 NZ LYS A 113 34.598 -16.441 -3.104 1.00 0.00 N ATOM 0 H LYS A 113 30.821 -12.115 -6.985 1.00 0.00 H new ATOM 0 HA LYS A 113 31.352 -11.260 -5.019 1.00 0.00 H new ATOM 0 HB2 LYS A 113 34.252 -11.958 -5.647 1.00 0.00 H new ATOM 0 HB3 LYS A 113 33.582 -11.634 -4.060 1.00 0.00 H new ATOM 0 HG2 LYS A 113 31.938 -13.594 -4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 113 32.940 -13.990 -5.892 1.00 0.00 H new ATOM 0 HD2 LYS A 113 34.957 -14.065 -4.346 1.00 0.00 H new ATOM 0 HD3 LYS A 113 33.883 -13.799 -2.987 1.00 0.00 H new ATOM 0 HE2 LYS A 113 32.619 -15.872 -3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 113 33.640 -16.128 -4.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 34.362 -17.454 -3.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 35.554 -16.313 -3.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 34.565 -16.065 -2.135 1.00 0.00 H new ATOM 415 N ARG A 114 32.147 -9.144 -6.947 1.00 0.00 N ATOM 416 CA ARG A 114 32.414 -7.733 -7.217 1.00 0.00 C ATOM 417 C ARG A 114 31.079 -7.034 -7.443 1.00 0.00 C ATOM 418 O ARG A 114 30.948 -6.176 -8.318 1.00 0.00 O ATOM 419 CB ARG A 114 33.323 -7.598 -8.443 1.00 0.00 C ATOM 420 CG ARG A 114 34.708 -8.173 -8.133 1.00 0.00 C ATOM 421 CD ARG A 114 35.559 -8.153 -9.404 1.00 0.00 C ATOM 422 NE ARG A 114 36.917 -8.655 -9.151 1.00 0.00 N ATOM 423 CZ ARG A 114 37.227 -9.964 -9.108 1.00 0.00 C ATOM 424 NH1 ARG A 114 36.261 -10.892 -9.106 1.00 0.00 N ATOM 425 NH2 ARG A 114 38.511 -10.341 -9.065 1.00 0.00 N ATOM 0 H ARG A 114 31.564 -9.596 -7.651 1.00 0.00 H new ATOM 0 HA ARG A 114 32.928 -7.271 -6.374 1.00 0.00 H new ATOM 0 HB2 ARG A 114 32.884 -8.123 -9.291 1.00 0.00 H new ATOM 0 HB3 ARG A 114 33.411 -6.549 -8.727 1.00 0.00 H new ATOM 0 HG2 ARG A 114 35.190 -7.589 -7.349 1.00 0.00 H new ATOM 0 HG3 ARG A 114 34.616 -9.193 -7.759 1.00 0.00 H new ATOM 0 HD2 ARG A 114 35.082 -8.762 -10.172 1.00 0.00 H new ATOM 0 HD3 ARG A 114 35.612 -7.136 -9.791 1.00 0.00 H new ATOM 0 HE ARG A 114 37.663 -7.976 -9.000 1.00 0.00 H new ATOM 0 HH11 ARG A 114 35.282 -10.609 -9.137 1.00 0.00 H new ATOM 0 HH12 ARG A 114 36.505 -11.882 -9.073 1.00 0.00 H new ATOM 0 HH21 ARG A 114 39.249 -9.637 -9.065 1.00 0.00 H new ATOM 0 HH22 ARG A 114 38.751 -11.332 -9.032 1.00 0.00 H new ATOM 439 N TRP A 115 30.084 -7.425 -6.643 1.00 0.00 N ATOM 440 CA TRP A 115 28.733 -6.903 -6.753 1.00 0.00 C ATOM 441 C TRP A 115 28.700 -5.397 -6.508 1.00 0.00 C ATOM 442 O TRP A 115 27.795 -4.725 -6.982 1.00 0.00 O ATOM 443 CB TRP A 115 27.839 -7.665 -5.781 1.00 0.00 C ATOM 444 CG TRP A 115 27.908 -9.146 -5.975 1.00 0.00 C ATOM 445 CD1 TRP A 115 28.291 -10.046 -5.057 1.00 0.00 C ATOM 446 CD2 TRP A 115 27.631 -9.916 -7.182 1.00 0.00 C ATOM 447 NE1 TRP A 115 28.287 -11.317 -5.585 1.00 0.00 N ATOM 448 CE2 TRP A 115 27.886 -11.296 -6.908 1.00 0.00 C ATOM 449 CE3 TRP A 115 27.198 -9.594 -8.489 1.00 0.00 C ATOM 450 CZ2 TRP A 115 27.728 -12.291 -7.875 1.00 0.00 C ATOM 451 CZ3 TRP A 115 27.034 -10.596 -9.465 1.00 0.00 C ATOM 452 CH2 TRP A 115 27.306 -11.936 -9.161 1.00 0.00 C ATOM 0 H TRP A 115 30.200 -8.115 -5.901 1.00 0.00 H new ATOM 0 HA TRP A 115 28.359 -7.051 -7.766 1.00 0.00 H new ATOM 0 HB2 TRP A 115 28.130 -7.422 -4.759 1.00 0.00 H new ATOM 0 HB3 TRP A 115 26.808 -7.334 -5.906 1.00 0.00 H new ATOM 0 HD1 TRP A 115 28.566 -9.806 -4.041 1.00 0.00 H new ATOM 0 HE1 TRP A 115 28.545 -12.159 -5.071 1.00 0.00 H new ATOM 0 HE3 TRP A 115 26.990 -8.565 -8.742 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 27.929 -13.324 -7.633 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 26.696 -10.329 -10.455 1.00 0.00 H new ATOM 0 HH2 TRP A 115 27.190 -12.696 -9.920 1.00 0.00 H new ATOM 463 N SER A 116 29.688 -4.864 -5.784 1.00 0.00 N ATOM 464 CA SER A 116 29.768 -3.432 -5.543 1.00 0.00 C ATOM 465 C SER A 116 29.954 -2.704 -6.878 1.00 0.00 C ATOM 466 O SER A 116 29.305 -1.693 -7.136 1.00 0.00 O ATOM 467 CB SER A 116 30.935 -3.141 -4.594 1.00 0.00 C ATOM 468 OG SER A 116 31.012 -1.753 -4.351 1.00 0.00 O ATOM 0 H SER A 116 30.439 -5.406 -5.358 1.00 0.00 H new ATOM 0 HA SER A 116 28.848 -3.077 -5.079 1.00 0.00 H new ATOM 0 HB2 SER A 116 30.796 -3.678 -3.655 1.00 0.00 H new ATOM 0 HB3 SER A 116 31.869 -3.497 -5.030 1.00 0.00 H new ATOM 0 HG SER A 116 31.758 -1.568 -3.743 1.00 0.00 H new ATOM 474 N VAL A 117 30.846 -3.231 -7.728 1.00 0.00 N ATOM 475 CA VAL A 117 31.130 -2.640 -9.027 1.00 0.00 C ATOM 476 C VAL A 117 29.981 -2.930 -9.992 1.00 0.00 C ATOM 477 O VAL A 117 29.472 -2.020 -10.640 1.00 0.00 O ATOM 478 CB VAL A 117 32.456 -3.210 -9.562 1.00 0.00 C ATOM 479 CG1 VAL A 117 32.758 -2.623 -10.942 1.00 0.00 C ATOM 480 CG2 VAL A 117 33.596 -2.856 -8.601 1.00 0.00 C ATOM 0 H VAL A 117 31.384 -4.074 -7.529 1.00 0.00 H new ATOM 0 HA VAL A 117 31.226 -1.559 -8.930 1.00 0.00 H new ATOM 0 HB VAL A 117 32.368 -4.294 -9.642 1.00 0.00 H new ATOM 0 HG11 VAL A 117 33.698 -3.031 -11.313 1.00 0.00 H new ATOM 0 HG12 VAL A 117 31.953 -2.880 -11.631 1.00 0.00 H new ATOM 0 HG13 VAL A 117 32.838 -1.539 -10.866 1.00 0.00 H new ATOM 0 HG21 VAL A 117 34.533 -3.261 -8.983 1.00 0.00 H new ATOM 0 HG22 VAL A 117 33.677 -1.772 -8.516 1.00 0.00 H new ATOM 0 HG23 VAL A 117 33.390 -3.282 -7.619 1.00 0.00 H new ATOM 490 N ILE A 118 29.578 -4.202 -10.085 1.00 0.00 N ATOM 491 CA ILE A 118 28.507 -4.621 -10.983 1.00 0.00 C ATOM 492 C ILE A 118 27.229 -3.813 -10.702 1.00 0.00 C ATOM 493 O ILE A 118 26.563 -3.368 -11.635 1.00 0.00 O ATOM 494 CB ILE A 118 28.273 -6.132 -10.808 1.00 0.00 C ATOM 495 CG1 ILE A 118 29.501 -6.909 -11.323 1.00 0.00 C ATOM 496 CG2 ILE A 118 27.029 -6.568 -11.591 1.00 0.00 C ATOM 497 CD1 ILE A 118 29.607 -8.262 -10.619 1.00 0.00 C ATOM 0 H ILE A 118 29.985 -4.963 -9.541 1.00 0.00 H new ATOM 0 HA ILE A 118 28.790 -4.429 -12.018 1.00 0.00 H new ATOM 0 HB ILE A 118 28.122 -6.346 -9.750 1.00 0.00 H new ATOM 0 HG12 ILE A 118 29.421 -7.057 -12.400 1.00 0.00 H new ATOM 0 HG13 ILE A 118 30.407 -6.328 -11.148 1.00 0.00 H new ATOM 0 HG21 ILE A 118 26.873 -7.639 -11.460 1.00 0.00 H new ATOM 0 HG22 ILE A 118 26.158 -6.027 -11.221 1.00 0.00 H new ATOM 0 HG23 ILE A 118 27.170 -6.349 -12.649 1.00 0.00 H new ATOM 0 HD11 ILE A 118 30.479 -8.799 -10.993 1.00 0.00 H new ATOM 0 HD12 ILE A 118 29.710 -8.106 -9.545 1.00 0.00 H new ATOM 0 HD13 ILE A 118 28.708 -8.846 -10.817 1.00 0.00 H new ATOM 509 N ALA A 119 26.893 -3.624 -9.417 1.00 0.00 N ATOM 510 CA ALA A 119 25.696 -2.883 -9.025 1.00 0.00 C ATOM 511 C ALA A 119 25.741 -1.451 -9.561 1.00 0.00 C ATOM 512 O ALA A 119 24.727 -0.936 -10.025 1.00 0.00 O ATOM 513 CB ALA A 119 25.577 -2.875 -7.502 1.00 0.00 C ATOM 0 H ALA A 119 27.440 -3.978 -8.632 1.00 0.00 H new ATOM 0 HA ALA A 119 24.823 -3.375 -9.454 1.00 0.00 H new ATOM 0 HB1 ALA A 119 24.684 -2.322 -7.210 1.00 0.00 H new ATOM 0 HB2 ALA A 119 25.505 -3.900 -7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 119 26.457 -2.397 -7.071 1.00 0.00 H new ATOM 519 N LYS A 120 26.913 -0.804 -9.497 1.00 0.00 N ATOM 520 CA LYS A 120 27.062 0.569 -9.972 1.00 0.00 C ATOM 521 C LYS A 120 26.751 0.662 -11.471 1.00 0.00 C ATOM 522 O LYS A 120 26.416 1.738 -11.962 1.00 0.00 O ATOM 523 CB LYS A 120 28.484 1.065 -9.680 1.00 0.00 C ATOM 524 CG LYS A 120 28.581 1.533 -8.223 1.00 0.00 C ATOM 525 CD LYS A 120 29.889 2.305 -7.992 1.00 0.00 C ATOM 526 CE LYS A 120 31.098 1.362 -8.075 1.00 0.00 C ATOM 527 NZ LYS A 120 31.630 1.282 -9.450 1.00 0.00 N ATOM 0 H LYS A 120 27.768 -1.213 -9.120 1.00 0.00 H new ATOM 0 HA LYS A 120 26.351 1.205 -9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 120 29.203 0.266 -9.864 1.00 0.00 H new ATOM 0 HB3 LYS A 120 28.739 1.884 -10.353 1.00 0.00 H new ATOM 0 HG2 LYS A 120 27.729 2.169 -7.982 1.00 0.00 H new ATOM 0 HG3 LYS A 120 28.537 0.673 -7.555 1.00 0.00 H new ATOM 0 HD2 LYS A 120 29.987 3.096 -8.736 1.00 0.00 H new ATOM 0 HD3 LYS A 120 29.864 2.788 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 120 31.880 1.712 -7.401 1.00 0.00 H new ATOM 0 HE3 LYS A 120 30.808 0.367 -7.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 31.354 0.374 -9.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 31.244 2.063 -10.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 32.667 1.352 -9.426 1.00 0.00 H new ATOM 541 N HIS A 121 26.859 -0.461 -12.195 1.00 0.00 N ATOM 542 CA HIS A 121 26.578 -0.494 -13.627 1.00 0.00 C ATOM 543 C HIS A 121 25.126 -0.928 -13.877 1.00 0.00 C ATOM 544 O HIS A 121 24.639 -0.837 -15.007 1.00 0.00 O ATOM 545 CB HIS A 121 27.561 -1.449 -14.303 1.00 0.00 C ATOM 546 CG HIS A 121 28.992 -1.143 -13.941 1.00 0.00 C ATOM 547 ND1 HIS A 121 29.507 0.148 -13.939 1.00 0.00 N ATOM 548 CD2 HIS A 121 30.038 -1.938 -13.552 1.00 0.00 C ATOM 549 CE1 HIS A 121 30.797 0.051 -13.559 1.00 0.00 C ATOM 550 NE2 HIS A 121 31.184 -1.197 -13.308 1.00 0.00 N ATOM 0 H HIS A 121 27.141 -1.360 -11.805 1.00 0.00 H new ATOM 0 HA HIS A 121 26.701 0.503 -14.050 1.00 0.00 H new ATOM 0 HB2 HIS A 121 27.326 -2.474 -14.015 1.00 0.00 H new ATOM 0 HB3 HIS A 121 27.440 -1.387 -15.384 1.00 0.00 H new ATOM 0 HD1 HIS A 121 29.006 1.003 -14.179 1.00 0.00 H new ATOM 0 HD2 HIS A 121 29.977 -3.011 -13.448 1.00 0.00 H new ATOM 0 HE1 HIS A 121 31.453 0.904 -13.467 1.00 0.00 H new ATOM 558 N LEU A 122 24.438 -1.391 -12.819 1.00 0.00 N ATOM 559 CA LEU A 122 23.049 -1.825 -12.900 1.00 0.00 C ATOM 560 C LEU A 122 22.218 -0.969 -11.954 1.00 0.00 C ATOM 561 O LEU A 122 21.831 -1.420 -10.878 1.00 0.00 O ATOM 562 CB LEU A 122 22.940 -3.307 -12.514 1.00 0.00 C ATOM 563 CG LEU A 122 23.670 -4.190 -13.533 1.00 0.00 C ATOM 564 CD1 LEU A 122 23.534 -5.651 -13.122 1.00 0.00 C ATOM 565 CD2 LEU A 122 23.063 -4.005 -14.923 1.00 0.00 C ATOM 0 H LEU A 122 24.839 -1.472 -11.885 1.00 0.00 H new ATOM 0 HA LEU A 122 22.680 -1.709 -13.919 1.00 0.00 H new ATOM 0 HB2 LEU A 122 23.365 -3.461 -11.522 1.00 0.00 H new ATOM 0 HB3 LEU A 122 21.891 -3.597 -12.460 1.00 0.00 H new ATOM 0 HG LEU A 122 24.721 -3.904 -13.560 1.00 0.00 H new ATOM 0 HD11 LEU A 122 24.052 -6.282 -13.844 1.00 0.00 H new ATOM 0 HD12 LEU A 122 23.973 -5.794 -12.135 1.00 0.00 H new ATOM 0 HD13 LEU A 122 22.479 -5.924 -13.092 1.00 0.00 H new ATOM 0 HD21 LEU A 122 23.590 -4.637 -15.637 1.00 0.00 H new ATOM 0 HD22 LEU A 122 22.009 -4.284 -14.900 1.00 0.00 H new ATOM 0 HD23 LEU A 122 23.156 -2.962 -15.225 1.00 0.00 H new ATOM 577 N LYS A 123 21.950 0.274 -12.360 1.00 0.00 N ATOM 578 CA LYS A 123 21.188 1.206 -11.544 1.00 0.00 C ATOM 579 C LYS A 123 19.804 0.622 -11.263 1.00 0.00 C ATOM 580 O LYS A 123 18.987 0.492 -12.174 1.00 0.00 O ATOM 581 CB LYS A 123 21.082 2.556 -12.268 1.00 0.00 C ATOM 582 CG LYS A 123 22.234 3.487 -11.841 1.00 0.00 C ATOM 583 CD LYS A 123 23.612 2.891 -12.193 1.00 0.00 C ATOM 584 CE LYS A 123 23.826 2.851 -13.715 1.00 0.00 C ATOM 585 NZ LYS A 123 23.841 4.208 -14.293 1.00 0.00 N ATOM 0 H LYS A 123 22.254 0.655 -13.256 1.00 0.00 H new ATOM 0 HA LYS A 123 21.694 1.367 -10.592 1.00 0.00 H new ATOM 0 HB2 LYS A 123 21.112 2.401 -13.346 1.00 0.00 H new ATOM 0 HB3 LYS A 123 20.124 3.024 -12.040 1.00 0.00 H new ATOM 0 HG2 LYS A 123 22.120 4.454 -12.331 1.00 0.00 H new ATOM 0 HG3 LYS A 123 22.179 3.665 -10.767 1.00 0.00 H new ATOM 0 HD2 LYS A 123 24.398 3.485 -11.728 1.00 0.00 H new ATOM 0 HD3 LYS A 123 23.691 1.883 -11.785 1.00 0.00 H new ATOM 0 HE2 LYS A 123 24.767 2.348 -13.938 1.00 0.00 H new ATOM 0 HE3 LYS A 123 23.033 2.265 -14.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 24.265 4.176 -15.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 22.867 4.568 -14.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 24.402 4.838 -13.685 1.00 0.00 H new ATOM 599 N GLY A 124 19.556 0.266 -9.994 1.00 0.00 N ATOM 600 CA GLY A 124 18.295 -0.329 -9.573 1.00 0.00 C ATOM 601 C GLY A 124 18.558 -1.667 -8.883 1.00 0.00 C ATOM 602 O GLY A 124 17.794 -2.081 -8.010 1.00 0.00 O ATOM 0 H GLY A 124 20.229 0.386 -9.237 1.00 0.00 H new ATOM 0 HA2 GLY A 124 17.774 0.345 -8.893 1.00 0.00 H new ATOM 0 HA3 GLY A 124 17.646 -0.476 -10.436 1.00 0.00 H new ATOM 606 N ARG A 125 19.646 -2.341 -9.280 1.00 0.00 N ATOM 607 CA ARG A 125 20.021 -3.625 -8.713 1.00 0.00 C ATOM 608 C ARG A 125 21.238 -3.439 -7.815 1.00 0.00 C ATOM 609 O ARG A 125 22.367 -3.413 -8.300 1.00 0.00 O ATOM 610 CB ARG A 125 20.339 -4.618 -9.841 1.00 0.00 C ATOM 611 CG ARG A 125 19.217 -4.636 -10.887 1.00 0.00 C ATOM 612 CD ARG A 125 17.906 -5.135 -10.273 1.00 0.00 C ATOM 613 NE ARG A 125 16.862 -5.150 -11.294 1.00 0.00 N ATOM 614 CZ ARG A 125 15.679 -5.759 -11.150 1.00 0.00 C ATOM 615 NH1 ARG A 125 15.326 -6.289 -9.971 1.00 0.00 N ATOM 616 NH2 ARG A 125 14.849 -5.832 -12.196 1.00 0.00 N ATOM 0 H ARG A 125 20.283 -2.005 -10.002 1.00 0.00 H new ATOM 0 HA ARG A 125 19.196 -4.022 -8.122 1.00 0.00 H new ATOM 0 HB2 ARG A 125 21.281 -4.345 -10.317 1.00 0.00 H new ATOM 0 HB3 ARG A 125 20.470 -5.617 -9.425 1.00 0.00 H new ATOM 0 HG2 ARG A 125 19.075 -3.634 -11.292 1.00 0.00 H new ATOM 0 HG3 ARG A 125 19.501 -5.279 -11.720 1.00 0.00 H new ATOM 0 HD2 ARG A 125 18.042 -6.136 -9.863 1.00 0.00 H new ATOM 0 HD3 ARG A 125 17.611 -4.489 -9.446 1.00 0.00 H new ATOM 0 HE ARG A 125 17.046 -4.666 -12.173 1.00 0.00 H new ATOM 0 HH11 ARG A 125 15.961 -6.230 -9.175 1.00 0.00 H new ATOM 0 HH12 ARG A 125 14.422 -6.751 -9.870 1.00 0.00 H new ATOM 0 HH21 ARG A 125 15.120 -5.426 -13.092 1.00 0.00 H new ATOM 0 HH22 ARG A 125 13.945 -6.294 -12.098 1.00 0.00 H new ATOM 630 N ILE A 126 21.013 -3.313 -6.504 1.00 0.00 N ATOM 631 CA ILE A 126 22.109 -3.161 -5.561 1.00 0.00 C ATOM 632 C ILE A 126 22.847 -4.497 -5.430 1.00 0.00 C ATOM 633 O ILE A 126 22.501 -5.475 -6.100 1.00 0.00 O ATOM 634 CB ILE A 126 21.584 -2.669 -4.199 1.00 0.00 C ATOM 635 CG1 ILE A 126 20.513 -3.625 -3.656 1.00 0.00 C ATOM 636 CG2 ILE A 126 20.988 -1.266 -4.357 1.00 0.00 C ATOM 637 CD1 ILE A 126 20.508 -3.584 -2.127 1.00 0.00 C ATOM 0 H ILE A 126 20.085 -3.314 -6.080 1.00 0.00 H new ATOM 0 HA ILE A 126 22.809 -2.410 -5.928 1.00 0.00 H new ATOM 0 HB ILE A 126 22.414 -2.639 -3.494 1.00 0.00 H new ATOM 0 HG12 ILE A 126 19.533 -3.343 -4.040 1.00 0.00 H new ATOM 0 HG13 ILE A 126 20.710 -4.640 -4.001 1.00 0.00 H new ATOM 0 HG21 ILE A 126 20.616 -0.918 -3.393 1.00 0.00 H new ATOM 0 HG22 ILE A 126 21.757 -0.583 -4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 126 20.166 -1.298 -5.072 1.00 0.00 H new ATOM 0 HD11 ILE A 126 19.746 -4.264 -1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 126 21.485 -3.888 -1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 126 20.289 -2.570 -1.791 1.00 0.00 H new ATOM 649 N GLY A 127 23.865 -4.535 -4.569 1.00 0.00 N ATOM 650 CA GLY A 127 24.667 -5.730 -4.366 1.00 0.00 C ATOM 651 C GLY A 127 23.795 -6.946 -4.039 1.00 0.00 C ATOM 652 O GLY A 127 24.167 -8.071 -4.364 1.00 0.00 O ATOM 0 H GLY A 127 24.151 -3.740 -3.998 1.00 0.00 H new ATOM 0 HA2 GLY A 127 25.253 -5.932 -5.263 1.00 0.00 H new ATOM 0 HA3 GLY A 127 25.375 -5.560 -3.555 1.00 0.00 H new ATOM 656 N LYS A 128 22.639 -6.726 -3.392 1.00 0.00 N ATOM 657 CA LYS A 128 21.760 -7.815 -2.999 1.00 0.00 C ATOM 658 C LYS A 128 21.062 -8.395 -4.224 1.00 0.00 C ATOM 659 O LYS A 128 21.023 -9.608 -4.396 1.00 0.00 O ATOM 660 CB LYS A 128 20.736 -7.303 -1.979 1.00 0.00 C ATOM 661 CG LYS A 128 19.907 -8.479 -1.444 1.00 0.00 C ATOM 662 CD LYS A 128 18.933 -7.992 -0.361 1.00 0.00 C ATOM 663 CE LYS A 128 17.519 -7.849 -0.939 1.00 0.00 C ATOM 664 NZ LYS A 128 17.429 -6.714 -1.876 1.00 0.00 N ATOM 0 H LYS A 128 22.300 -5.799 -3.134 1.00 0.00 H new ATOM 0 HA LYS A 128 22.348 -8.608 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 128 21.247 -6.802 -1.157 1.00 0.00 H new ATOM 0 HB3 LYS A 128 20.082 -6.566 -2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 128 19.353 -8.944 -2.260 1.00 0.00 H new ATOM 0 HG3 LYS A 128 20.568 -9.242 -1.033 1.00 0.00 H new ATOM 0 HD2 LYS A 128 18.923 -8.696 0.471 1.00 0.00 H new ATOM 0 HD3 LYS A 128 19.269 -7.034 0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 128 17.240 -8.769 -1.453 1.00 0.00 H new ATOM 0 HE3 LYS A 128 16.806 -7.709 -0.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 128 16.445 -6.605 -2.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 128 17.736 -5.843 -1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 128 18.042 -6.892 -2.697 1.00 0.00 H new ATOM 678 N GLN A 129 20.506 -7.524 -5.072 1.00 0.00 N ATOM 679 CA GLN A 129 19.801 -7.954 -6.268 1.00 0.00 C ATOM 680 C GLN A 129 20.730 -8.772 -7.163 1.00 0.00 C ATOM 681 O GLN A 129 20.382 -9.878 -7.571 1.00 0.00 O ATOM 682 CB GLN A 129 19.284 -6.727 -7.030 1.00 0.00 C ATOM 683 CG GLN A 129 17.896 -6.319 -6.529 1.00 0.00 C ATOM 684 CD GLN A 129 17.985 -5.294 -5.412 1.00 0.00 C ATOM 685 OE1 GLN A 129 18.244 -5.644 -4.263 1.00 0.00 O ATOM 686 NE2 GLN A 129 17.764 -4.021 -5.752 1.00 0.00 N ATOM 0 H GLN A 129 20.535 -6.512 -4.945 1.00 0.00 H new ATOM 0 HA GLN A 129 18.957 -8.579 -5.978 1.00 0.00 H new ATOM 0 HB2 GLN A 129 19.979 -5.897 -6.905 1.00 0.00 H new ATOM 0 HB3 GLN A 129 19.240 -6.948 -8.096 1.00 0.00 H new ATOM 0 HG2 GLN A 129 17.316 -5.908 -7.356 1.00 0.00 H new ATOM 0 HG3 GLN A 129 17.363 -7.201 -6.173 1.00 0.00 H new ATOM 0 HE21 GLN A 129 17.553 -3.781 -6.721 1.00 0.00 H new ATOM 0 HE22 GLN A 129 17.807 -3.289 -5.043 1.00 0.00 H new ATOM 695 N CYS A 130 21.908 -8.221 -7.476 1.00 0.00 N ATOM 696 CA CYS A 130 22.866 -8.890 -8.347 1.00 0.00 C ATOM 697 C CYS A 130 23.293 -10.224 -7.731 1.00 0.00 C ATOM 698 O CYS A 130 23.294 -11.249 -8.413 1.00 0.00 O ATOM 699 CB CYS A 130 24.078 -7.985 -8.578 1.00 0.00 C ATOM 700 SG CYS A 130 23.525 -6.416 -9.295 1.00 0.00 S ATOM 0 H CYS A 130 22.217 -7.310 -7.135 1.00 0.00 H new ATOM 0 HA CYS A 130 22.397 -9.093 -9.310 1.00 0.00 H new ATOM 0 HB2 CYS A 130 24.597 -7.805 -7.636 1.00 0.00 H new ATOM 0 HB3 CYS A 130 24.789 -8.473 -9.245 1.00 0.00 H new ATOM 0 HG CYS A 130 23.054 -5.651 -8.355 1.00 0.00 H new ATOM 706 N ARG A 131 23.650 -10.209 -6.437 1.00 0.00 N ATOM 707 CA ARG A 131 24.058 -11.416 -5.728 1.00 0.00 C ATOM 708 C ARG A 131 22.974 -12.484 -5.867 1.00 0.00 C ATOM 709 O ARG A 131 23.250 -13.596 -6.302 1.00 0.00 O ATOM 710 CB ARG A 131 24.302 -11.066 -4.247 1.00 0.00 C ATOM 711 CG ARG A 131 24.516 -12.334 -3.400 1.00 0.00 C ATOM 712 CD ARG A 131 25.948 -12.840 -3.555 1.00 0.00 C ATOM 713 NE ARG A 131 26.863 -12.115 -2.667 1.00 0.00 N ATOM 714 CZ ARG A 131 28.140 -12.487 -2.472 1.00 0.00 C ATOM 715 NH1 ARG A 131 28.652 -13.523 -3.153 1.00 0.00 N ATOM 716 NH2 ARG A 131 28.902 -11.820 -1.597 1.00 0.00 N ATOM 0 H ARG A 131 23.662 -9.365 -5.864 1.00 0.00 H new ATOM 0 HA ARG A 131 24.980 -11.811 -6.154 1.00 0.00 H new ATOM 0 HB2 ARG A 131 25.175 -10.419 -4.163 1.00 0.00 H new ATOM 0 HB3 ARG A 131 23.451 -10.506 -3.859 1.00 0.00 H new ATOM 0 HG2 ARG A 131 24.311 -12.118 -2.351 1.00 0.00 H new ATOM 0 HG3 ARG A 131 23.814 -13.109 -3.709 1.00 0.00 H new ATOM 0 HD2 ARG A 131 25.987 -13.906 -3.330 1.00 0.00 H new ATOM 0 HD3 ARG A 131 26.269 -12.720 -4.590 1.00 0.00 H new ATOM 0 HE ARG A 131 26.515 -11.292 -2.176 1.00 0.00 H new ATOM 0 HH11 ARG A 131 28.072 -14.031 -3.821 1.00 0.00 H new ATOM 0 HH12 ARG A 131 29.621 -13.803 -3.003 1.00 0.00 H new ATOM 0 HH21 ARG A 131 28.514 -11.031 -1.080 1.00 0.00 H new ATOM 0 HH22 ARG A 131 29.871 -12.100 -1.447 1.00 0.00 H new ATOM 730 N GLU A 132 21.745 -12.137 -5.484 1.00 0.00 N ATOM 731 CA GLU A 132 20.619 -13.057 -5.520 1.00 0.00 C ATOM 732 C GLU A 132 20.415 -13.615 -6.930 1.00 0.00 C ATOM 733 O GLU A 132 20.274 -14.821 -7.103 1.00 0.00 O ATOM 734 CB GLU A 132 19.370 -12.310 -5.038 1.00 0.00 C ATOM 735 CG GLU A 132 18.196 -13.278 -4.878 1.00 0.00 C ATOM 736 CD GLU A 132 16.974 -12.545 -4.337 1.00 0.00 C ATOM 737 OE1 GLU A 132 16.237 -11.978 -5.172 1.00 0.00 O ATOM 738 OE2 GLU A 132 16.804 -12.562 -3.098 1.00 0.00 O ATOM 0 H GLU A 132 21.507 -11.207 -5.140 1.00 0.00 H new ATOM 0 HA GLU A 132 20.815 -13.906 -4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 132 19.577 -11.819 -4.087 1.00 0.00 H new ATOM 0 HB3 GLU A 132 19.109 -11.527 -5.750 1.00 0.00 H new ATOM 0 HG2 GLU A 132 17.959 -13.734 -5.839 1.00 0.00 H new ATOM 0 HG3 GLU A 132 18.472 -14.086 -4.201 1.00 0.00 H new ATOM 745 N ARG A 133 20.391 -12.742 -7.936 1.00 0.00 N ATOM 746 CA ARG A 133 20.158 -13.164 -9.308 1.00 0.00 C ATOM 747 C ARG A 133 21.175 -14.227 -9.738 1.00 0.00 C ATOM 748 O ARG A 133 20.832 -15.142 -10.486 1.00 0.00 O ATOM 749 CB ARG A 133 20.230 -11.938 -10.234 1.00 0.00 C ATOM 750 CG ARG A 133 19.849 -12.316 -11.679 1.00 0.00 C ATOM 751 CD ARG A 133 18.403 -12.824 -11.734 1.00 0.00 C ATOM 752 NE ARG A 133 17.942 -12.965 -13.120 1.00 0.00 N ATOM 753 CZ ARG A 133 16.752 -13.501 -13.444 1.00 0.00 C ATOM 754 NH1 ARG A 133 15.849 -13.744 -12.492 1.00 0.00 N ATOM 755 NH2 ARG A 133 16.470 -13.789 -14.717 1.00 0.00 N ATOM 0 H ARG A 133 20.531 -11.738 -7.822 1.00 0.00 H new ATOM 0 HA ARG A 133 19.167 -13.612 -9.377 1.00 0.00 H new ATOM 0 HB2 ARG A 133 19.559 -11.161 -9.868 1.00 0.00 H new ATOM 0 HB3 ARG A 133 21.238 -11.523 -10.216 1.00 0.00 H new ATOM 0 HG2 ARG A 133 19.962 -11.449 -12.330 1.00 0.00 H new ATOM 0 HG3 ARG A 133 20.526 -13.085 -12.051 1.00 0.00 H new ATOM 0 HD2 ARG A 133 18.333 -13.785 -11.225 1.00 0.00 H new ATOM 0 HD3 ARG A 133 17.751 -12.133 -11.200 1.00 0.00 H new ATOM 0 HE ARG A 133 18.552 -12.642 -13.871 1.00 0.00 H new ATOM 0 HH11 ARG A 133 16.062 -13.523 -11.519 1.00 0.00 H new ATOM 0 HH12 ARG A 133 14.946 -14.151 -12.737 1.00 0.00 H new ATOM 0 HH21 ARG A 133 17.158 -13.603 -15.447 1.00 0.00 H new ATOM 0 HH22 ARG A 133 15.567 -14.196 -14.960 1.00 0.00 H new ATOM 769 N TRP A 134 22.426 -14.098 -9.283 1.00 0.00 N ATOM 770 CA TRP A 134 23.489 -14.996 -9.704 1.00 0.00 C ATOM 771 C TRP A 134 23.577 -16.261 -8.835 1.00 0.00 C ATOM 772 O TRP A 134 23.616 -17.368 -9.366 1.00 0.00 O ATOM 773 CB TRP A 134 24.815 -14.233 -9.688 1.00 0.00 C ATOM 774 CG TRP A 134 25.845 -14.815 -10.593 1.00 0.00 C ATOM 775 CD1 TRP A 134 26.917 -15.529 -10.215 1.00 0.00 C ATOM 776 CD2 TRP A 134 25.907 -14.761 -12.046 1.00 0.00 C ATOM 777 NE1 TRP A 134 27.642 -15.940 -11.306 1.00 0.00 N ATOM 778 CE2 TRP A 134 27.055 -15.494 -12.477 1.00 0.00 C ATOM 779 CE3 TRP A 134 25.109 -14.170 -13.055 1.00 0.00 C ATOM 780 CZ2 TRP A 134 27.379 -15.645 -13.825 1.00 0.00 C ATOM 781 CZ3 TRP A 134 25.436 -14.316 -14.408 1.00 0.00 C ATOM 782 CH2 TRP A 134 26.556 -15.061 -14.796 1.00 0.00 C ATOM 0 H TRP A 134 22.720 -13.378 -8.623 1.00 0.00 H new ATOM 0 HA TRP A 134 23.264 -15.339 -10.714 1.00 0.00 H new ATOM 0 HB2 TRP A 134 24.633 -13.198 -9.976 1.00 0.00 H new ATOM 0 HB3 TRP A 134 25.204 -14.217 -8.670 1.00 0.00 H new ATOM 0 HD1 TRP A 134 27.175 -15.750 -9.190 1.00 0.00 H new ATOM 0 HE1 TRP A 134 28.495 -16.497 -11.260 1.00 0.00 H new ATOM 0 HE3 TRP A 134 24.236 -13.599 -12.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 134 28.255 -16.206 -14.117 1.00 0.00 H new ATOM 0 HZ3 TRP A 134 24.818 -13.849 -15.161 1.00 0.00 H new ATOM 0 HH2 TRP A 134 26.785 -15.185 -15.844 1.00 0.00 H new ATOM 793 N HIS A 135 23.630 -16.103 -7.506 1.00 0.00 N ATOM 794 CA HIS A 135 23.815 -17.234 -6.589 1.00 0.00 C ATOM 795 C HIS A 135 22.533 -18.064 -6.401 1.00 0.00 C ATOM 796 O HIS A 135 22.378 -18.718 -5.370 1.00 0.00 O ATOM 797 CB HIS A 135 24.310 -16.699 -5.241 1.00 0.00 C ATOM 798 CG HIS A 135 25.734 -16.214 -5.301 1.00 0.00 C ATOM 799 ND1 HIS A 135 26.807 -16.989 -4.876 1.00 0.00 N ATOM 800 CD2 HIS A 135 26.294 -15.040 -5.727 1.00 0.00 C ATOM 801 CE1 HIS A 135 27.918 -16.250 -5.063 1.00 0.00 C ATOM 802 NE2 HIS A 135 27.675 -15.043 -5.576 1.00 0.00 N ATOM 0 H HIS A 135 23.547 -15.199 -7.041 1.00 0.00 H new ATOM 0 HA HIS A 135 24.553 -17.907 -7.026 1.00 0.00 H new ATOM 0 HB2 HIS A 135 23.665 -15.882 -4.919 1.00 0.00 H new ATOM 0 HB3 HIS A 135 24.228 -17.485 -4.490 1.00 0.00 H new ATOM 0 HD2 HIS A 135 25.731 -14.212 -6.131 1.00 0.00 H new ATOM 0 HE1 HIS A 135 28.910 -16.601 -4.821 1.00 0.00 H new ATOM 0 HE2 HIS A 135 28.340 -14.303 -5.802 1.00 0.00 H new ATOM 810 N ASN A 136 21.627 -18.058 -7.385 1.00 0.00 N ATOM 811 CA ASN A 136 20.404 -18.856 -7.315 1.00 0.00 C ATOM 812 C ASN A 136 20.100 -19.444 -8.683 1.00 0.00 C ATOM 813 O ASN A 136 19.939 -20.656 -8.816 1.00 0.00 O ATOM 814 CB ASN A 136 19.235 -17.992 -6.832 1.00 0.00 C ATOM 815 CG ASN A 136 19.387 -17.648 -5.356 1.00 0.00 C ATOM 816 OD1 ASN A 136 18.805 -18.305 -4.499 1.00 0.00 O ATOM 817 ND2 ASN A 136 20.173 -16.618 -5.064 1.00 0.00 N ATOM 0 H ASN A 136 21.720 -17.508 -8.239 1.00 0.00 H new ATOM 0 HA ASN A 136 20.546 -19.669 -6.603 1.00 0.00 H new ATOM 0 HB2 ASN A 136 19.188 -17.076 -7.420 1.00 0.00 H new ATOM 0 HB3 ASN A 136 18.296 -18.522 -6.991 1.00 0.00 H new ATOM 0 HD21 ASN A 136 20.314 -16.343 -4.092 1.00 0.00 H new ATOM 0 HD22 ASN A 136 20.636 -16.102 -5.812 1.00 0.00 H new ATOM 824 N HIS A 137 20.018 -18.582 -9.697 1.00 0.00 N ATOM 825 CA HIS A 137 19.713 -19.011 -11.057 1.00 0.00 C ATOM 826 C HIS A 137 21.012 -19.260 -11.835 1.00 0.00 C ATOM 827 O HIS A 137 21.927 -19.909 -11.329 1.00 0.00 O ATOM 828 CB HIS A 137 18.852 -17.942 -11.742 1.00 0.00 C ATOM 829 CG HIS A 137 17.737 -17.448 -10.868 1.00 0.00 C ATOM 830 ND1 HIS A 137 16.561 -18.160 -10.662 1.00 0.00 N ATOM 831 CD2 HIS A 137 17.596 -16.309 -10.131 1.00 0.00 C ATOM 832 CE1 HIS A 137 15.801 -17.417 -9.832 1.00 0.00 C ATOM 833 NE2 HIS A 137 16.378 -16.269 -9.470 1.00 0.00 N ATOM 0 H HIS A 137 20.160 -17.577 -9.598 1.00 0.00 H new ATOM 0 HA HIS A 137 19.155 -19.947 -11.033 1.00 0.00 H new ATOM 0 HB2 HIS A 137 19.484 -17.101 -12.028 1.00 0.00 H new ATOM 0 HB3 HIS A 137 18.433 -18.353 -12.661 1.00 0.00 H new ATOM 0 HD2 HIS A 137 18.343 -15.532 -10.070 1.00 0.00 H new ATOM 0 HE1 HIS A 137 14.822 -17.721 -9.493 1.00 0.00 H new ATOM 0 HE2 HIS A 137 16.012 -15.540 -8.857 1.00 0.00 H new ATOM 841 N LEU A 138 21.075 -18.740 -13.069 1.00 0.00 N ATOM 842 CA LEU A 138 22.233 -18.884 -13.939 1.00 0.00 C ATOM 843 C LEU A 138 23.523 -18.531 -13.191 1.00 0.00 C ATOM 844 O LEU A 138 23.600 -17.500 -12.523 1.00 0.00 O ATOM 845 CB LEU A 138 22.048 -17.978 -15.170 1.00 0.00 C ATOM 846 CG LEU A 138 21.679 -16.541 -14.736 1.00 0.00 C ATOM 847 CD1 LEU A 138 22.564 -15.539 -15.456 1.00 0.00 C ATOM 848 CD2 LEU A 138 20.220 -16.243 -15.085 1.00 0.00 C ATOM 0 H LEU A 138 20.314 -18.205 -13.487 1.00 0.00 H new ATOM 0 HA LEU A 138 22.317 -19.921 -14.263 1.00 0.00 H new ATOM 0 HB2 LEU A 138 22.966 -17.962 -15.758 1.00 0.00 H new ATOM 0 HB3 LEU A 138 21.265 -18.382 -15.812 1.00 0.00 H new ATOM 0 HG LEU A 138 21.824 -16.459 -13.659 1.00 0.00 H new ATOM 0 HD11 LEU A 138 22.298 -14.529 -15.145 1.00 0.00 H new ATOM 0 HD12 LEU A 138 23.608 -15.732 -15.208 1.00 0.00 H new ATOM 0 HD13 LEU A 138 22.423 -15.636 -16.532 1.00 0.00 H new ATOM 0 HD21 LEU A 138 19.972 -15.228 -14.775 1.00 0.00 H new ATOM 0 HD22 LEU A 138 20.076 -16.339 -16.161 1.00 0.00 H new ATOM 0 HD23 LEU A 138 19.571 -16.950 -14.568 1.00 0.00 H new ATOM 860 N ASN A 139 24.540 -19.395 -13.308 1.00 0.00 N ATOM 861 CA ASN A 139 25.817 -19.171 -12.652 1.00 0.00 C ATOM 862 C ASN A 139 26.950 -19.881 -13.420 1.00 0.00 C ATOM 863 O ASN A 139 27.672 -20.685 -12.838 1.00 0.00 O ATOM 864 CB ASN A 139 25.715 -19.683 -11.204 1.00 0.00 C ATOM 865 CG ASN A 139 26.727 -18.994 -10.290 1.00 0.00 C ATOM 866 OD1 ASN A 139 27.924 -19.006 -10.554 1.00 0.00 O ATOM 867 ND2 ASN A 139 26.239 -18.392 -9.208 1.00 0.00 N ATOM 0 H ASN A 139 24.494 -20.255 -13.854 1.00 0.00 H new ATOM 0 HA ASN A 139 26.053 -18.107 -12.642 1.00 0.00 H new ATOM 0 HB2 ASN A 139 24.707 -19.510 -10.827 1.00 0.00 H new ATOM 0 HB3 ASN A 139 25.882 -20.760 -11.186 1.00 0.00 H new ATOM 0 HD21 ASN A 139 26.868 -17.917 -8.561 1.00 0.00 H new ATOM 0 HD22 ASN A 139 25.236 -18.406 -9.026 1.00 0.00 H new ATOM 874 N PRO A 140 27.117 -19.584 -14.735 1.00 0.00 N ATOM 875 CA PRO A 140 28.173 -20.174 -15.539 1.00 0.00 C ATOM 876 C PRO A 140 29.545 -19.874 -14.930 1.00 0.00 C ATOM 877 O PRO A 140 30.235 -20.787 -14.483 1.00 0.00 O ATOM 878 CB PRO A 140 28.027 -19.566 -16.940 1.00 0.00 C ATOM 879 CG PRO A 140 26.906 -18.522 -16.857 1.00 0.00 C ATOM 880 CD PRO A 140 26.276 -18.660 -15.471 1.00 0.00 C ATOM 0 HA PRO A 140 28.092 -21.260 -15.581 1.00 0.00 H new ATOM 0 HB2 PRO A 140 28.961 -19.105 -17.260 1.00 0.00 H new ATOM 0 HB3 PRO A 140 27.784 -20.336 -17.672 1.00 0.00 H new ATOM 0 HG2 PRO A 140 27.302 -17.517 -17.003 1.00 0.00 H new ATOM 0 HG3 PRO A 140 26.164 -18.689 -17.637 1.00 0.00 H new ATOM 0 HD2 PRO A 140 26.226 -17.694 -14.968 1.00 0.00 H new ATOM 0 HD3 PRO A 140 25.255 -19.035 -15.543 1.00 0.00 H new ATOM 888 N GLU A 141 29.939 -18.591 -14.910 1.00 0.00 N ATOM 889 CA GLU A 141 31.215 -18.186 -14.332 1.00 0.00 C ATOM 890 C GLU A 141 31.162 -18.329 -12.810 1.00 0.00 C ATOM 891 O GLU A 141 32.192 -18.442 -12.158 1.00 0.00 O ATOM 892 CB GLU A 141 31.530 -16.734 -14.720 1.00 0.00 C ATOM 893 CG GLU A 141 31.739 -16.616 -16.240 1.00 0.00 C ATOM 894 CD GLU A 141 30.420 -16.459 -16.998 1.00 0.00 C ATOM 895 OE1 GLU A 141 29.379 -16.306 -16.323 1.00 0.00 O ATOM 896 OE2 GLU A 141 30.481 -16.495 -18.245 1.00 0.00 O ATOM 0 H GLU A 141 29.387 -17.822 -15.289 1.00 0.00 H new ATOM 0 HA GLU A 141 32.005 -18.830 -14.720 1.00 0.00 H new ATOM 0 HB2 GLU A 141 30.714 -16.083 -14.407 1.00 0.00 H new ATOM 0 HB3 GLU A 141 32.425 -16.397 -14.197 1.00 0.00 H new ATOM 0 HG2 GLU A 141 32.380 -15.760 -16.451 1.00 0.00 H new ATOM 0 HG3 GLU A 141 32.260 -17.502 -16.602 1.00 0.00 H new HETATM 903 N NH2 A 142 29.961 -18.322 -12.245 1.00 0.00 N TER 906 NH2 A 142