USER MOD reduce.3.24.130724 H: found=0, std=0, add=808, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 803 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 58 GLN : amide:sc= 0 X(o=0.04,f=-0.14) USER MOD Set 1.2: A 65 THR OG1 : rot 160:sc= 0.0397 USER MOD Set 2.1: A 17 SER OG : rot 180:sc= -0.398 USER MOD Set 2.2: A 29 HIS : no HE2:sc= -0.725 K(o=-1.1,f=-4.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 8:sc= 0.472 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.35) USER MOD Single : A 36 THR OG1 : rot 98:sc= 0.0726 USER MOD Single : A 37 HIS : no HD1:sc= -3.68! C(o=-3.7!,f=-3.7!) USER MOD Single : A 43 TYR OH : rot 180:sc= -0.0548 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 90:sc= 0.425 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= -0.229 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -170:sc= -0.421 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.5) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.184 X(o=-0.18,f=-0.15) USER MOD Single : A 73 ASN : amide:sc= -0.0413 K(o=-0.041,f=-1.8!) USER MOD Single : A 74 THR OG1 : rot 93:sc= 1.11 USER MOD Single : A 76 TYR OH : rot 120:sc= 0.41 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot -41:sc= 0.0761 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.155 X(o=-0.15,f=-0.2) USER MOD Single : A 92 SER OG : rot 159:sc= 0.905 USER MOD Single : A 94 SER OG : rot 160:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0.0402 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.127 USER MOD Single : A 99 THR OG1 : rot 174:sc= 1.92 USER MOD Single : A 101 LYS NZ :NH3+ 140:sc= -0.566 (180deg=-1.9!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 50:sc= -0.17 USER MOD Single : A 107 SER OG : rot 33:sc= 0.715 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.995 13.902 -16.029 1.00 0.00 N ATOM 2 CA GLY A 1 17.769 13.701 -16.778 1.00 0.00 C ATOM 3 C GLY A 1 17.461 12.234 -17.004 1.00 0.00 C ATOM 4 O GLY A 1 17.318 11.791 -18.143 1.00 0.00 O ATOM 0 H1 GLY A 1 19.161 14.921 -15.901 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.912 13.445 -15.098 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.792 13.484 -16.550 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.940 14.165 -16.243 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.849 14.205 -17.741 1.00 0.00 H new ATOM 8 N SER A 2 17.361 11.477 -15.915 1.00 0.00 N ATOM 9 CA SER A 2 17.074 10.050 -16.000 1.00 0.00 C ATOM 10 C SER A 2 15.627 9.763 -15.610 1.00 0.00 C ATOM 11 O SER A 2 15.043 10.468 -14.786 1.00 0.00 O ATOM 12 CB SER A 2 18.024 9.263 -15.096 1.00 0.00 C ATOM 13 OG SER A 2 19.357 9.333 -15.572 1.00 0.00 O ATOM 0 H SER A 2 17.475 11.829 -14.964 1.00 0.00 H new ATOM 0 HA SER A 2 17.223 9.735 -17.033 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.976 9.658 -14.081 1.00 0.00 H new ATOM 0 HB3 SER A 2 17.706 8.222 -15.048 1.00 0.00 H new ATOM 0 HG SER A 2 19.944 8.823 -14.976 1.00 0.00 H new ATOM 19 N SER A 3 15.055 8.722 -16.207 1.00 0.00 N ATOM 20 CA SER A 3 13.676 8.343 -15.926 1.00 0.00 C ATOM 21 C SER A 3 13.440 8.227 -14.423 1.00 0.00 C ATOM 22 O SER A 3 14.239 7.630 -13.702 1.00 0.00 O ATOM 23 CB SER A 3 13.340 7.016 -16.610 1.00 0.00 C ATOM 24 OG SER A 3 13.193 7.187 -18.009 1.00 0.00 O ATOM 0 H SER A 3 15.526 8.126 -16.888 1.00 0.00 H new ATOM 0 HA SER A 3 13.024 9.122 -16.320 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.128 6.290 -16.410 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.419 6.610 -16.191 1.00 0.00 H new ATOM 0 HG SER A 3 12.980 6.325 -18.423 1.00 0.00 H new ATOM 30 N GLY A 4 12.335 8.802 -13.957 1.00 0.00 N ATOM 31 CA GLY A 4 12.013 8.753 -12.543 1.00 0.00 C ATOM 32 C GLY A 4 11.537 10.089 -12.010 1.00 0.00 C ATOM 33 O GLY A 4 12.001 11.141 -12.449 1.00 0.00 O ATOM 0 H GLY A 4 11.657 9.301 -14.534 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.241 8.002 -12.375 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.893 8.435 -11.984 1.00 0.00 H new ATOM 37 N SER A 5 10.607 10.049 -11.061 1.00 0.00 N ATOM 38 CA SER A 5 10.063 11.267 -10.472 1.00 0.00 C ATOM 39 C SER A 5 9.583 11.013 -9.046 1.00 0.00 C ATOM 40 O SER A 5 8.721 10.166 -8.811 1.00 0.00 O ATOM 41 CB SER A 5 8.910 11.801 -11.323 1.00 0.00 C ATOM 42 OG SER A 5 9.388 12.375 -12.527 1.00 0.00 O ATOM 0 H SER A 5 10.215 9.186 -10.684 1.00 0.00 H new ATOM 0 HA SER A 5 10.858 12.013 -10.442 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.218 10.991 -11.552 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.352 12.547 -10.757 1.00 0.00 H new ATOM 0 HG SER A 5 10.346 12.190 -12.620 1.00 0.00 H new ATOM 48 N SER A 6 10.148 11.752 -8.097 1.00 0.00 N ATOM 49 CA SER A 6 9.781 11.605 -6.693 1.00 0.00 C ATOM 50 C SER A 6 8.996 12.820 -6.207 1.00 0.00 C ATOM 51 O SER A 6 9.497 13.943 -6.219 1.00 0.00 O ATOM 52 CB SER A 6 11.033 11.417 -5.834 1.00 0.00 C ATOM 53 OG SER A 6 11.700 10.210 -6.163 1.00 0.00 O ATOM 0 H SER A 6 10.862 12.459 -8.274 1.00 0.00 H new ATOM 0 HA SER A 6 9.148 10.723 -6.599 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.708 12.261 -5.979 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.757 11.408 -4.780 1.00 0.00 H new ATOM 0 HG SER A 6 12.498 10.114 -5.602 1.00 0.00 H new ATOM 59 N GLY A 7 7.759 12.584 -5.779 1.00 0.00 N ATOM 60 CA GLY A 7 6.922 13.666 -5.295 1.00 0.00 C ATOM 61 C GLY A 7 6.172 13.298 -4.031 1.00 0.00 C ATOM 62 O GLY A 7 5.768 12.152 -3.835 1.00 0.00 O ATOM 0 H GLY A 7 7.322 11.663 -5.759 1.00 0.00 H new ATOM 0 HA2 GLY A 7 7.541 14.543 -5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 7 6.207 13.943 -6.070 1.00 0.00 H new ATOM 66 N PRO A 8 5.977 14.286 -3.145 1.00 0.00 N ATOM 67 CA PRO A 8 5.269 14.084 -1.877 1.00 0.00 C ATOM 68 C PRO A 8 3.778 13.837 -2.078 1.00 0.00 C ATOM 69 O PRO A 8 3.084 13.392 -1.163 1.00 0.00 O ATOM 70 CB PRO A 8 5.498 15.400 -1.129 1.00 0.00 C ATOM 71 CG PRO A 8 5.731 16.408 -2.201 1.00 0.00 C ATOM 72 CD PRO A 8 6.431 15.676 -3.313 1.00 0.00 C ATOM 0 HA PRO A 8 5.632 13.206 -1.343 1.00 0.00 H new ATOM 0 HB2 PRO A 8 4.635 15.664 -0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 8 6.354 15.330 -0.458 1.00 0.00 H new ATOM 0 HG2 PRO A 8 4.789 16.835 -2.547 1.00 0.00 H new ATOM 0 HG3 PRO A 8 6.340 17.234 -1.834 1.00 0.00 H new ATOM 0 HD2 PRO A 8 6.157 16.073 -4.290 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.515 15.758 -3.228 1.00 0.00 H new ATOM 80 N ASP A 9 3.292 14.128 -3.279 1.00 0.00 N ATOM 81 CA ASP A 9 1.882 13.936 -3.600 1.00 0.00 C ATOM 82 C ASP A 9 1.360 12.636 -2.998 1.00 0.00 C ATOM 83 O ASP A 9 0.181 12.526 -2.660 1.00 0.00 O ATOM 84 CB ASP A 9 1.679 13.928 -5.116 1.00 0.00 C ATOM 85 CG ASP A 9 2.128 15.221 -5.767 1.00 0.00 C ATOM 86 OD1 ASP A 9 3.298 15.612 -5.567 1.00 0.00 O ATOM 87 OD2 ASP A 9 1.311 15.843 -6.478 1.00 0.00 O ATOM 0 H ASP A 9 3.853 14.498 -4.047 1.00 0.00 H new ATOM 0 HA ASP A 9 1.321 14.766 -3.170 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.233 13.095 -5.549 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.625 13.760 -5.338 1.00 0.00 H new ATOM 92 N ALA A 10 2.244 11.653 -2.867 1.00 0.00 N ATOM 93 CA ALA A 10 1.873 10.361 -2.304 1.00 0.00 C ATOM 94 C ALA A 10 2.030 10.356 -0.788 1.00 0.00 C ATOM 95 O ALA A 10 2.685 11.220 -0.205 1.00 0.00 O ATOM 96 CB ALA A 10 2.710 9.253 -2.927 1.00 0.00 C ATOM 0 H ALA A 10 3.223 11.727 -3.143 1.00 0.00 H new ATOM 0 HA ALA A 10 0.823 10.181 -2.534 1.00 0.00 H new ATOM 0 HB1 ALA A 10 2.422 8.294 -2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 10 2.543 9.233 -4.004 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.765 9.438 -2.727 1.00 0.00 H new ATOM 102 N PRO A 11 1.415 9.361 -0.131 1.00 0.00 N ATOM 103 CA PRO A 11 1.472 9.221 1.327 1.00 0.00 C ATOM 104 C PRO A 11 2.859 8.819 1.817 1.00 0.00 C ATOM 105 O PRO A 11 3.798 8.706 1.028 1.00 0.00 O ATOM 106 CB PRO A 11 0.460 8.111 1.617 1.00 0.00 C ATOM 107 CG PRO A 11 0.398 7.316 0.358 1.00 0.00 C ATOM 108 CD PRO A 11 0.617 8.297 -0.761 1.00 0.00 C ATOM 0 HA PRO A 11 1.252 10.160 1.835 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.778 7.495 2.459 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.516 8.522 1.874 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.161 6.538 0.350 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -0.566 6.818 0.258 1.00 0.00 H new ATOM 0 HD2 PRO A 11 1.146 7.840 -1.598 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.326 8.679 -1.150 1.00 0.00 H new ATOM 116 N ARG A 12 2.981 8.603 3.122 1.00 0.00 N ATOM 117 CA ARG A 12 4.254 8.213 3.717 1.00 0.00 C ATOM 118 C ARG A 12 4.036 7.471 5.032 1.00 0.00 C ATOM 119 O ARG A 12 2.914 7.388 5.530 1.00 0.00 O ATOM 120 CB ARG A 12 5.129 9.446 3.954 1.00 0.00 C ATOM 121 CG ARG A 12 5.229 10.363 2.746 1.00 0.00 C ATOM 122 CD ARG A 12 6.018 11.622 3.066 1.00 0.00 C ATOM 123 NE ARG A 12 7.387 11.321 3.477 1.00 0.00 N ATOM 124 CZ ARG A 12 8.378 11.095 2.621 1.00 0.00 C ATOM 125 NH1 ARG A 12 8.153 11.136 1.315 1.00 0.00 N ATOM 126 NH2 ARG A 12 9.597 10.827 3.072 1.00 0.00 N ATOM 0 H ARG A 12 2.214 8.691 3.788 1.00 0.00 H new ATOM 0 HA ARG A 12 4.761 7.543 3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.727 10.010 4.795 1.00 0.00 H new ATOM 0 HB3 ARG A 12 6.130 9.122 4.237 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.708 9.832 1.923 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.228 10.635 2.411 1.00 0.00 H new ATOM 0 HD2 ARG A 12 6.037 12.270 2.190 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.514 12.173 3.860 1.00 0.00 H new ATOM 0 HE ARG A 12 7.593 11.282 4.475 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.217 11.341 0.965 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.916 10.962 0.660 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.774 10.794 4.076 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.357 10.654 2.415 1.00 0.00 H new ATOM 140 N ASN A 13 5.116 6.933 5.588 1.00 0.00 N ATOM 141 CA ASN A 13 5.042 6.197 6.845 1.00 0.00 C ATOM 142 C ASN A 13 4.134 4.978 6.709 1.00 0.00 C ATOM 143 O ASN A 13 3.274 4.734 7.557 1.00 0.00 O ATOM 144 CB ASN A 13 4.531 7.106 7.964 1.00 0.00 C ATOM 145 CG ASN A 13 5.654 7.832 8.678 1.00 0.00 C ATOM 146 OD1 ASN A 13 6.283 7.286 9.585 1.00 0.00 O ATOM 147 ND2 ASN A 13 5.911 9.070 8.272 1.00 0.00 N ATOM 0 H ASN A 13 6.053 6.993 5.188 1.00 0.00 H new ATOM 0 HA ASN A 13 6.046 5.854 7.096 1.00 0.00 H new ATOM 0 HB2 ASN A 13 3.838 7.836 7.547 1.00 0.00 H new ATOM 0 HB3 ASN A 13 3.971 6.510 8.685 1.00 0.00 H new ATOM 0 HD21 ASN A 13 6.655 9.608 8.716 1.00 0.00 H new ATOM 0 HD22 ASN A 13 5.364 9.483 7.516 1.00 0.00 H new ATOM 154 N LEU A 14 4.330 4.217 5.638 1.00 0.00 N ATOM 155 CA LEU A 14 3.530 3.023 5.391 1.00 0.00 C ATOM 156 C LEU A 14 3.875 1.920 6.386 1.00 0.00 C ATOM 157 O LEU A 14 4.863 1.205 6.216 1.00 0.00 O ATOM 158 CB LEU A 14 3.750 2.524 3.962 1.00 0.00 C ATOM 159 CG LEU A 14 2.983 1.262 3.566 1.00 0.00 C ATOM 160 CD1 LEU A 14 1.485 1.523 3.575 1.00 0.00 C ATOM 161 CD2 LEU A 14 3.433 0.773 2.197 1.00 0.00 C ATOM 0 H LEU A 14 5.036 4.406 4.927 1.00 0.00 H new ATOM 0 HA LEU A 14 2.480 3.287 5.520 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.475 3.323 3.273 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.815 2.336 3.824 1.00 0.00 H new ATOM 0 HG LEU A 14 3.199 0.483 4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.956 0.614 3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.174 1.826 4.575 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.250 2.317 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.877 -0.126 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.246 1.548 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.499 0.546 2.224 1.00 0.00 H new ATOM 173 N GLN A 15 3.055 1.787 7.423 1.00 0.00 N ATOM 174 CA GLN A 15 3.273 0.769 8.444 1.00 0.00 C ATOM 175 C GLN A 15 2.192 -0.305 8.383 1.00 0.00 C ATOM 176 O GLN A 15 1.031 -0.050 8.706 1.00 0.00 O ATOM 177 CB GLN A 15 3.297 1.408 9.834 1.00 0.00 C ATOM 178 CG GLN A 15 4.682 1.852 10.275 1.00 0.00 C ATOM 179 CD GLN A 15 5.468 0.740 10.942 1.00 0.00 C ATOM 180 OE1 GLN A 15 5.192 0.367 12.082 1.00 0.00 O ATOM 181 NE2 GLN A 15 6.453 0.203 10.231 1.00 0.00 N ATOM 0 H GLN A 15 2.234 2.371 7.579 1.00 0.00 H new ATOM 0 HA GLN A 15 4.237 0.298 8.251 1.00 0.00 H new ATOM 0 HB2 GLN A 15 2.629 2.269 9.840 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.905 0.695 10.559 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.236 2.214 9.409 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.588 2.690 10.966 1.00 0.00 H new ATOM 0 HE21 GLN A 15 6.647 0.544 9.289 1.00 0.00 H new ATOM 0 HE22 GLN A 15 7.016 -0.550 10.627 1.00 0.00 H new ATOM 190 N LEU A 16 2.579 -1.505 7.967 1.00 0.00 N ATOM 191 CA LEU A 16 1.642 -2.618 7.864 1.00 0.00 C ATOM 192 C LEU A 16 1.548 -3.375 9.185 1.00 0.00 C ATOM 193 O LEU A 16 2.514 -3.442 9.944 1.00 0.00 O ATOM 194 CB LEU A 16 2.073 -3.571 6.747 1.00 0.00 C ATOM 195 CG LEU A 16 1.544 -3.250 5.349 1.00 0.00 C ATOM 196 CD1 LEU A 16 2.485 -2.298 4.627 1.00 0.00 C ATOM 197 CD2 LEU A 16 1.354 -4.527 4.544 1.00 0.00 C ATOM 0 H LEU A 16 3.535 -1.733 7.695 1.00 0.00 H new ATOM 0 HA LEU A 16 0.658 -2.212 7.628 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.162 -3.583 6.707 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.752 -4.578 7.012 1.00 0.00 H new ATOM 0 HG LEU A 16 0.575 -2.762 5.452 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.092 -2.081 3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.570 -1.371 5.194 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.469 -2.759 4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.977 -4.279 3.552 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.309 -5.044 4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.639 -5.175 5.052 1.00 0.00 H new ATOM 209 N SER A 17 0.377 -3.945 9.452 1.00 0.00 N ATOM 210 CA SER A 17 0.155 -4.695 10.682 1.00 0.00 C ATOM 211 C SER A 17 -0.964 -5.716 10.501 1.00 0.00 C ATOM 212 O SER A 17 -1.610 -5.768 9.453 1.00 0.00 O ATOM 213 CB SER A 17 -0.188 -3.744 11.830 1.00 0.00 C ATOM 214 OG SER A 17 0.601 -2.568 11.771 1.00 0.00 O ATOM 0 H SER A 17 -0.432 -3.901 8.833 1.00 0.00 H new ATOM 0 HA SER A 17 1.074 -5.228 10.924 1.00 0.00 H new ATOM 0 HB2 SER A 17 -1.244 -3.480 11.784 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.026 -4.247 12.784 1.00 0.00 H new ATOM 0 HG SER A 17 0.362 -1.976 12.514 1.00 0.00 H new ATOM 220 N LEU A 18 -1.189 -6.527 11.529 1.00 0.00 N ATOM 221 CA LEU A 18 -2.231 -7.547 11.486 1.00 0.00 C ATOM 222 C LEU A 18 -3.135 -7.455 12.710 1.00 0.00 C ATOM 223 O LEU A 18 -2.679 -7.250 13.835 1.00 0.00 O ATOM 224 CB LEU A 18 -1.604 -8.940 11.404 1.00 0.00 C ATOM 225 CG LEU A 18 -1.268 -9.444 10.000 1.00 0.00 C ATOM 226 CD1 LEU A 18 -0.411 -8.429 9.260 1.00 0.00 C ATOM 227 CD2 LEU A 18 -0.562 -10.790 10.071 1.00 0.00 C ATOM 0 H LEU A 18 -0.664 -6.498 12.403 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.837 -7.375 10.597 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.689 -8.940 11.997 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.286 -9.651 11.870 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.199 -9.574 9.449 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.182 -8.805 8.263 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.953 -7.487 9.177 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.517 -8.267 9.809 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -0.331 -11.133 9.063 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.362 -10.687 10.640 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.211 -11.516 10.561 1.00 0.00 H new ATOM 239 N PRO A 19 -4.449 -7.612 12.489 1.00 0.00 N ATOM 240 CA PRO A 19 -5.445 -7.553 13.563 1.00 0.00 C ATOM 241 C PRO A 19 -5.359 -8.754 14.500 1.00 0.00 C ATOM 242 O PRO A 19 -5.391 -9.902 14.057 1.00 0.00 O ATOM 243 CB PRO A 19 -6.778 -7.556 12.811 1.00 0.00 C ATOM 244 CG PRO A 19 -6.480 -8.228 11.515 1.00 0.00 C ATOM 245 CD PRO A 19 -5.063 -7.860 11.174 1.00 0.00 C ATOM 0 HA PRO A 19 -5.303 -6.682 14.203 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.546 -8.093 13.368 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -7.147 -6.542 12.656 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.593 -9.309 11.601 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.167 -7.897 10.737 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -4.557 -8.664 10.639 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -5.019 -6.976 10.537 1.00 0.00 H new ATOM 253 N ARG A 20 -5.251 -8.481 15.796 1.00 0.00 N ATOM 254 CA ARG A 20 -5.160 -9.539 16.795 1.00 0.00 C ATOM 255 C ARG A 20 -6.511 -10.222 16.987 1.00 0.00 C ATOM 256 O ARG A 20 -6.638 -11.154 17.781 1.00 0.00 O ATOM 257 CB ARG A 20 -4.670 -8.971 18.128 1.00 0.00 C ATOM 258 CG ARG A 20 -5.754 -8.264 18.924 1.00 0.00 C ATOM 259 CD ARG A 20 -5.167 -7.223 19.864 1.00 0.00 C ATOM 260 NE ARG A 20 -6.126 -6.800 20.881 1.00 0.00 N ATOM 261 CZ ARG A 20 -6.527 -7.576 21.881 1.00 0.00 C ATOM 262 NH1 ARG A 20 -6.054 -8.809 21.999 1.00 0.00 N ATOM 263 NH2 ARG A 20 -7.403 -7.119 22.767 1.00 0.00 N ATOM 0 H ARG A 20 -5.224 -7.536 16.179 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.444 -10.280 16.439 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.260 -9.782 18.730 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.856 -8.272 17.938 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.454 -7.784 18.240 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.321 -8.996 19.499 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.281 -7.632 20.349 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.844 -6.356 19.288 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.509 -5.857 20.820 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.380 -9.164 21.320 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.364 -9.403 22.768 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.769 -6.171 22.680 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.710 -7.716 23.535 1.00 0.00 H new ATOM 277 N GLU A 21 -7.516 -9.752 16.255 1.00 0.00 N ATOM 278 CA GLU A 21 -8.857 -10.318 16.347 1.00 0.00 C ATOM 279 C GLU A 21 -9.330 -10.820 14.986 1.00 0.00 C ATOM 280 O GLU A 21 -10.504 -11.141 14.805 1.00 0.00 O ATOM 281 CB GLU A 21 -9.838 -9.275 16.888 1.00 0.00 C ATOM 282 CG GLU A 21 -9.731 -9.059 18.388 1.00 0.00 C ATOM 283 CD GLU A 21 -10.746 -8.059 18.907 1.00 0.00 C ATOM 284 OE1 GLU A 21 -10.434 -6.851 18.925 1.00 0.00 O ATOM 285 OE2 GLU A 21 -11.854 -8.487 19.295 1.00 0.00 O ATOM 0 H GLU A 21 -7.427 -8.982 15.592 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.821 -11.164 17.034 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.664 -8.327 16.380 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.855 -9.585 16.646 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.871 -10.011 18.899 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.727 -8.711 18.631 1.00 0.00 H new ATOM 292 N ALA A 22 -8.407 -10.883 14.032 1.00 0.00 N ATOM 293 CA ALA A 22 -8.728 -11.347 12.688 1.00 0.00 C ATOM 294 C ALA A 22 -7.500 -11.934 12.001 1.00 0.00 C ATOM 295 O ALA A 22 -6.380 -11.470 12.212 1.00 0.00 O ATOM 296 CB ALA A 22 -9.305 -10.208 11.860 1.00 0.00 C ATOM 0 H ALA A 22 -7.431 -10.619 14.165 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.476 -12.136 12.772 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -9.540 -10.569 10.859 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.213 -9.837 12.335 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.575 -9.401 11.793 1.00 0.00 H new ATOM 302 N GLU A 23 -7.718 -12.956 11.179 1.00 0.00 N ATOM 303 CA GLU A 23 -6.626 -13.606 10.463 1.00 0.00 C ATOM 304 C GLU A 23 -6.692 -13.292 8.971 1.00 0.00 C ATOM 305 O GLU A 23 -7.621 -12.635 8.504 1.00 0.00 O ATOM 306 CB GLU A 23 -6.675 -15.120 10.680 1.00 0.00 C ATOM 307 CG GLU A 23 -6.280 -15.547 12.084 1.00 0.00 C ATOM 308 CD GLU A 23 -5.083 -14.779 12.612 1.00 0.00 C ATOM 309 OE1 GLU A 23 -4.156 -14.507 11.821 1.00 0.00 O ATOM 310 OE2 GLU A 23 -5.074 -14.452 13.817 1.00 0.00 O ATOM 0 H GLU A 23 -8.640 -13.351 10.992 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.686 -13.220 10.857 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.684 -15.476 10.471 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -6.012 -15.603 9.962 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.126 -15.401 12.756 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -6.052 -16.613 12.085 1.00 0.00 H new ATOM 317 N GLY A 24 -5.697 -13.767 8.228 1.00 0.00 N ATOM 318 CA GLY A 24 -5.659 -13.527 6.798 1.00 0.00 C ATOM 319 C GLY A 24 -6.014 -12.098 6.440 1.00 0.00 C ATOM 320 O GLY A 24 -6.439 -11.818 5.319 1.00 0.00 O ATOM 0 H GLY A 24 -4.916 -14.314 8.591 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.662 -13.756 6.421 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.352 -14.206 6.300 1.00 0.00 H new ATOM 324 N VAL A 25 -5.842 -11.190 7.396 1.00 0.00 N ATOM 325 CA VAL A 25 -6.149 -9.782 7.176 1.00 0.00 C ATOM 326 C VAL A 25 -4.951 -8.900 7.511 1.00 0.00 C ATOM 327 O VAL A 25 -4.288 -9.098 8.530 1.00 0.00 O ATOM 328 CB VAL A 25 -7.356 -9.332 8.021 1.00 0.00 C ATOM 329 CG1 VAL A 25 -7.476 -7.815 8.015 1.00 0.00 C ATOM 330 CG2 VAL A 25 -8.634 -9.978 7.508 1.00 0.00 C ATOM 0 H VAL A 25 -5.492 -11.405 8.330 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.394 -9.672 6.119 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.199 -9.656 9.050 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -8.334 -7.516 8.617 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.569 -7.377 8.432 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.611 -7.465 6.992 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.477 -9.650 8.116 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.799 -9.685 6.471 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.543 -11.063 7.569 1.00 0.00 H new ATOM 340 N ILE A 26 -4.680 -7.927 6.649 1.00 0.00 N ATOM 341 CA ILE A 26 -3.563 -7.013 6.854 1.00 0.00 C ATOM 342 C ILE A 26 -4.040 -5.567 6.921 1.00 0.00 C ATOM 343 O ILE A 26 -4.699 -5.076 6.004 1.00 0.00 O ATOM 344 CB ILE A 26 -2.514 -7.145 5.734 1.00 0.00 C ATOM 345 CG1 ILE A 26 -1.823 -8.507 5.810 1.00 0.00 C ATOM 346 CG2 ILE A 26 -1.494 -6.020 5.829 1.00 0.00 C ATOM 347 CD1 ILE A 26 -0.781 -8.717 4.734 1.00 0.00 C ATOM 0 H ILE A 26 -5.219 -7.751 5.801 1.00 0.00 H new ATOM 0 HA ILE A 26 -3.104 -7.285 7.804 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.020 -7.070 4.771 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.351 -8.612 6.787 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.576 -9.292 5.734 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.759 -6.127 5.031 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.001 -5.060 5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.990 -6.066 6.795 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.332 -9.704 4.850 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.251 -8.645 3.753 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.008 -7.954 4.823 1.00 0.00 H new ATOM 359 N VAL A 27 -3.702 -4.887 8.012 1.00 0.00 N ATOM 360 CA VAL A 27 -4.094 -3.495 8.198 1.00 0.00 C ATOM 361 C VAL A 27 -2.933 -2.553 7.898 1.00 0.00 C ATOM 362 O VAL A 27 -2.032 -2.381 8.717 1.00 0.00 O ATOM 363 CB VAL A 27 -4.591 -3.238 9.633 1.00 0.00 C ATOM 364 CG1 VAL A 27 -5.106 -1.814 9.773 1.00 0.00 C ATOM 365 CG2 VAL A 27 -5.668 -4.244 10.011 1.00 0.00 C ATOM 0 H VAL A 27 -3.157 -5.278 8.781 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.908 -3.299 7.500 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.752 -3.364 10.318 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.453 -1.651 10.793 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.303 -1.113 9.546 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.932 -1.656 9.080 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.008 -4.048 11.028 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.509 -4.153 9.323 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -5.260 -5.253 9.953 1.00 0.00 H new ATOM 375 N GLY A 28 -2.962 -1.944 6.716 1.00 0.00 N ATOM 376 CA GLY A 28 -1.907 -1.026 6.329 1.00 0.00 C ATOM 377 C GLY A 28 -2.222 0.409 6.701 1.00 0.00 C ATOM 378 O GLY A 28 -3.342 0.879 6.500 1.00 0.00 O ATOM 0 H GLY A 28 -3.697 -2.070 6.020 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.975 -1.326 6.808 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.748 -1.093 5.253 1.00 0.00 H new ATOM 382 N HIS A 29 -1.232 1.108 7.247 1.00 0.00 N ATOM 383 CA HIS A 29 -1.409 2.499 7.649 1.00 0.00 C ATOM 384 C HIS A 29 -0.460 3.413 6.880 1.00 0.00 C ATOM 385 O HIS A 29 0.416 2.943 6.153 1.00 0.00 O ATOM 386 CB HIS A 29 -1.174 2.651 9.153 1.00 0.00 C ATOM 387 CG HIS A 29 -1.717 1.513 9.961 1.00 0.00 C ATOM 388 ND1 HIS A 29 -0.928 0.496 10.454 1.00 0.00 N ATOM 389 CD2 HIS A 29 -2.980 1.236 10.364 1.00 0.00 C ATOM 390 CE1 HIS A 29 -1.681 -0.358 11.124 1.00 0.00 C ATOM 391 NE2 HIS A 29 -2.931 0.068 11.084 1.00 0.00 N ATOM 0 H HIS A 29 -0.299 0.734 7.421 1.00 0.00 H new ATOM 0 HA HIS A 29 -2.433 2.790 7.417 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -0.103 2.739 9.338 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -1.634 3.579 9.492 1.00 0.00 H new ATOM 0 HD1 HIS A 29 0.080 0.415 10.322 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -3.862 1.824 10.157 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -1.334 -1.252 11.620 1.00 0.00 H new ATOM 399 N TRP A 30 -0.641 4.718 7.043 1.00 0.00 N ATOM 400 CA TRP A 30 0.199 5.697 6.363 1.00 0.00 C ATOM 401 C TRP A 30 -0.121 7.111 6.835 1.00 0.00 C ATOM 402 O TRP A 30 -0.946 7.305 7.727 1.00 0.00 O ATOM 403 CB TRP A 30 0.011 5.596 4.848 1.00 0.00 C ATOM 404 CG TRP A 30 -1.423 5.684 4.421 1.00 0.00 C ATOM 405 CD1 TRP A 30 -2.137 6.822 4.178 1.00 0.00 C ATOM 406 CD2 TRP A 30 -2.316 4.590 4.188 1.00 0.00 C ATOM 407 NE1 TRP A 30 -3.421 6.502 3.808 1.00 0.00 N ATOM 408 CE2 TRP A 30 -3.556 5.138 3.806 1.00 0.00 C ATOM 409 CE3 TRP A 30 -2.189 3.200 4.264 1.00 0.00 C ATOM 410 CZ2 TRP A 30 -4.659 4.345 3.502 1.00 0.00 C ATOM 411 CZ3 TRP A 30 -3.285 2.414 3.962 1.00 0.00 C ATOM 412 CH2 TRP A 30 -4.506 2.987 3.584 1.00 0.00 C ATOM 0 H TRP A 30 -1.362 5.123 7.640 1.00 0.00 H new ATOM 0 HA TRP A 30 1.239 5.480 6.608 1.00 0.00 H new ATOM 0 HB2 TRP A 30 0.576 6.393 4.365 1.00 0.00 H new ATOM 0 HB3 TRP A 30 0.429 4.652 4.499 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -1.749 7.826 4.264 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.154 7.171 3.573 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -1.252 2.749 4.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.602 4.785 3.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -3.198 1.339 4.018 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.343 2.345 3.353 1.00 0.00 H new ATOM 423 N ALA A 31 0.535 8.095 6.229 1.00 0.00 N ATOM 424 CA ALA A 31 0.317 9.492 6.587 1.00 0.00 C ATOM 425 C ALA A 31 -0.067 10.318 5.364 1.00 0.00 C ATOM 426 O ALA A 31 0.088 9.888 4.221 1.00 0.00 O ATOM 427 CB ALA A 31 1.562 10.068 7.245 1.00 0.00 C ATOM 0 H ALA A 31 1.221 7.951 5.488 1.00 0.00 H new ATOM 0 HA ALA A 31 -0.509 9.535 7.297 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.385 11.111 7.507 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.792 9.501 8.147 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.402 10.005 6.553 1.00 0.00 H new ATOM 433 N PRO A 32 -0.583 11.532 5.607 1.00 0.00 N ATOM 434 CA PRO A 32 -1.001 12.443 4.538 1.00 0.00 C ATOM 435 C PRO A 32 0.183 12.996 3.752 1.00 0.00 C ATOM 436 O PRO A 32 1.268 13.214 4.290 1.00 0.00 O ATOM 437 CB PRO A 32 -1.716 13.569 5.290 1.00 0.00 C ATOM 438 CG PRO A 32 -1.122 13.548 6.656 1.00 0.00 C ATOM 439 CD PRO A 32 -0.798 12.108 6.945 1.00 0.00 C ATOM 0 HA PRO A 32 -1.625 11.943 3.798 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.558 14.532 4.804 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.793 13.401 5.324 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -0.225 14.166 6.701 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -1.821 13.946 7.392 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.090 12.013 7.571 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -1.613 11.610 7.471 1.00 0.00 H new ATOM 447 N PRO A 33 -0.029 13.229 2.448 1.00 0.00 N ATOM 448 CA PRO A 33 1.010 13.760 1.560 1.00 0.00 C ATOM 449 C PRO A 33 1.345 15.216 1.866 1.00 0.00 C ATOM 450 O PRO A 33 0.454 16.062 1.953 1.00 0.00 O ATOM 451 CB PRO A 33 0.384 13.636 0.168 1.00 0.00 C ATOM 452 CG PRO A 33 -1.085 13.661 0.410 1.00 0.00 C ATOM 453 CD PRO A 33 -1.298 12.991 1.740 1.00 0.00 C ATOM 0 HA PRO A 33 1.952 13.223 1.668 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.693 14.457 -0.479 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.689 12.711 -0.322 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.461 14.684 0.424 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.620 13.136 -0.381 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -2.144 13.421 2.276 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.501 11.926 1.626 1.00 0.00 H new ATOM 461 N ILE A 34 2.633 15.500 2.027 1.00 0.00 N ATOM 462 CA ILE A 34 3.084 16.855 2.322 1.00 0.00 C ATOM 463 C ILE A 34 2.422 17.869 1.395 1.00 0.00 C ATOM 464 O ILE A 34 1.815 18.839 1.850 1.00 0.00 O ATOM 465 CB ILE A 34 4.614 16.979 2.192 1.00 0.00 C ATOM 466 CG1 ILE A 34 5.308 15.905 3.032 1.00 0.00 C ATOM 467 CG2 ILE A 34 5.070 18.367 2.616 1.00 0.00 C ATOM 468 CD1 ILE A 34 5.564 14.619 2.277 1.00 0.00 C ATOM 0 H ILE A 34 3.382 14.811 1.958 1.00 0.00 H new ATOM 0 HA ILE A 34 2.796 17.067 3.352 1.00 0.00 H new ATOM 0 HB ILE A 34 4.889 16.830 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.257 16.298 3.397 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.695 15.687 3.907 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.153 18.440 2.519 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.598 19.115 1.980 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.786 18.542 3.654 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.058 13.903 2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.616 14.203 1.935 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.202 14.823 1.417 1.00 0.00 H new ATOM 480 N HIS A 35 2.542 17.637 0.091 1.00 0.00 N ATOM 481 CA HIS A 35 1.953 18.529 -0.901 1.00 0.00 C ATOM 482 C HIS A 35 1.452 17.743 -2.109 1.00 0.00 C ATOM 483 O HIS A 35 2.204 16.990 -2.729 1.00 0.00 O ATOM 484 CB HIS A 35 2.975 19.575 -1.347 1.00 0.00 C ATOM 485 CG HIS A 35 2.976 20.811 -0.501 1.00 0.00 C ATOM 486 ND1 HIS A 35 1.828 21.357 0.034 1.00 0.00 N ATOM 487 CD2 HIS A 35 3.993 21.607 -0.096 1.00 0.00 C ATOM 488 CE1 HIS A 35 2.140 22.436 0.730 1.00 0.00 C ATOM 489 NE2 HIS A 35 3.448 22.609 0.667 1.00 0.00 N ATOM 0 H HIS A 35 3.041 16.839 -0.302 1.00 0.00 H new ATOM 0 HA HIS A 35 1.104 19.034 -0.441 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.970 19.130 -1.327 1.00 0.00 H new ATOM 0 HB3 HIS A 35 2.771 19.853 -2.381 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.039 21.478 -0.330 1.00 0.00 H new ATOM 0 HE1 HIS A 35 1.444 23.069 1.260 1.00 0.00 H new ATOM 0 HE2 HIS A 35 3.968 23.364 1.113 1.00 0.00 H new ATOM 497 N THR A 36 0.176 17.922 -2.438 1.00 0.00 N ATOM 498 CA THR A 36 -0.426 17.229 -3.569 1.00 0.00 C ATOM 499 C THR A 36 -0.707 18.191 -4.717 1.00 0.00 C ATOM 500 O THR A 36 -0.644 19.410 -4.549 1.00 0.00 O ATOM 501 CB THR A 36 -1.738 16.530 -3.166 1.00 0.00 C ATOM 502 OG1 THR A 36 -2.533 17.407 -2.360 1.00 0.00 O ATOM 503 CG2 THR A 36 -1.455 15.247 -2.400 1.00 0.00 C ATOM 0 H THR A 36 -0.460 18.542 -1.936 1.00 0.00 H new ATOM 0 HA THR A 36 0.291 16.477 -3.897 1.00 0.00 H new ATOM 0 HB THR A 36 -2.284 16.278 -4.076 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.204 17.848 -2.921 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.397 14.771 -2.126 1.00 0.00 H new ATOM 0 HG22 THR A 36 -0.875 14.569 -3.027 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.890 15.479 -1.497 1.00 0.00 H new ATOM 511 N HIS A 37 -1.019 17.638 -5.885 1.00 0.00 N ATOM 512 CA HIS A 37 -1.313 18.448 -7.062 1.00 0.00 C ATOM 513 C HIS A 37 -2.553 19.307 -6.834 1.00 0.00 C ATOM 514 O HIS A 37 -2.546 20.508 -7.102 1.00 0.00 O ATOM 515 CB HIS A 37 -1.514 17.554 -8.285 1.00 0.00 C ATOM 516 CG HIS A 37 -0.290 16.782 -8.671 1.00 0.00 C ATOM 517 ND1 HIS A 37 -0.178 15.418 -8.506 1.00 0.00 N ATOM 518 CD2 HIS A 37 0.878 17.190 -9.219 1.00 0.00 C ATOM 519 CE1 HIS A 37 1.007 15.020 -8.934 1.00 0.00 C ATOM 520 NE2 HIS A 37 1.668 16.077 -9.372 1.00 0.00 N ATOM 0 H HIS A 37 -1.075 16.632 -6.042 1.00 0.00 H new ATOM 0 HA HIS A 37 -0.464 19.108 -7.240 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -2.326 16.855 -8.084 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -1.825 18.171 -9.128 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.140 18.203 -9.486 1.00 0.00 H new ATOM 0 HE1 HIS A 37 1.373 14.004 -8.927 1.00 0.00 H new ATOM 0 HE2 HIS A 37 2.611 16.068 -9.760 1.00 0.00 H new ATOM 528 N GLY A 38 -3.617 18.682 -6.339 1.00 0.00 N ATOM 529 CA GLY A 38 -4.850 19.404 -6.085 1.00 0.00 C ATOM 530 C GLY A 38 -5.487 19.018 -4.765 1.00 0.00 C ATOM 531 O GLY A 38 -4.867 19.144 -3.708 1.00 0.00 O ATOM 0 H GLY A 38 -3.647 17.689 -6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -4.647 20.475 -6.088 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.554 19.211 -6.895 1.00 0.00 H new ATOM 535 N LEU A 39 -6.728 18.548 -4.824 1.00 0.00 N ATOM 536 CA LEU A 39 -7.451 18.144 -3.623 1.00 0.00 C ATOM 537 C LEU A 39 -7.536 16.624 -3.524 1.00 0.00 C ATOM 538 O LEU A 39 -7.898 15.950 -4.489 1.00 0.00 O ATOM 539 CB LEU A 39 -8.857 18.746 -3.623 1.00 0.00 C ATOM 540 CG LEU A 39 -9.739 18.391 -2.426 1.00 0.00 C ATOM 541 CD1 LEU A 39 -10.742 19.501 -2.154 1.00 0.00 C ATOM 542 CD2 LEU A 39 -10.455 17.070 -2.664 1.00 0.00 C ATOM 0 H LEU A 39 -7.255 18.437 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.904 18.516 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.766 19.831 -3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.367 18.427 -4.532 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.101 18.283 -1.549 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.361 19.230 -1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.210 20.427 -1.938 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.375 19.642 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.078 16.833 -1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.081 17.150 -3.553 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.720 16.278 -2.808 1.00 0.00 H new ATOM 554 N ILE A 40 -7.203 16.093 -2.353 1.00 0.00 N ATOM 555 CA ILE A 40 -7.245 14.653 -2.129 1.00 0.00 C ATOM 556 C ILE A 40 -8.672 14.178 -1.877 1.00 0.00 C ATOM 557 O ILE A 40 -9.346 14.659 -0.966 1.00 0.00 O ATOM 558 CB ILE A 40 -6.362 14.243 -0.936 1.00 0.00 C ATOM 559 CG1 ILE A 40 -4.913 14.672 -1.175 1.00 0.00 C ATOM 560 CG2 ILE A 40 -6.444 12.741 -0.706 1.00 0.00 C ATOM 561 CD1 ILE A 40 -4.151 14.964 0.099 1.00 0.00 C ATOM 0 H ILE A 40 -6.901 16.637 -1.545 1.00 0.00 H new ATOM 0 HA ILE A 40 -6.861 14.181 -3.034 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.729 14.748 -0.042 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.396 13.886 -1.726 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.905 15.561 -1.805 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.814 12.468 0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.476 12.461 -0.496 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -6.100 12.217 -1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.132 15.262 -0.147 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.644 15.771 0.641 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.127 14.070 0.722 1.00 0.00 H new ATOM 573 N ARG A 41 -9.126 13.229 -2.689 1.00 0.00 N ATOM 574 CA ARG A 41 -10.473 12.688 -2.554 1.00 0.00 C ATOM 575 C ARG A 41 -10.466 11.418 -1.709 1.00 0.00 C ATOM 576 O ARG A 41 -11.343 11.215 -0.870 1.00 0.00 O ATOM 577 CB ARG A 41 -11.067 12.393 -3.933 1.00 0.00 C ATOM 578 CG ARG A 41 -10.970 13.560 -4.901 1.00 0.00 C ATOM 579 CD ARG A 41 -11.724 13.279 -6.191 1.00 0.00 C ATOM 580 NE ARG A 41 -13.140 13.015 -5.951 1.00 0.00 N ATOM 581 CZ ARG A 41 -13.623 11.817 -5.641 1.00 0.00 C ATOM 582 NH1 ARG A 41 -12.807 10.778 -5.534 1.00 0.00 N ATOM 583 NH2 ARG A 41 -14.924 11.657 -5.437 1.00 0.00 N ATOM 0 H ARG A 41 -8.581 12.819 -3.447 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.089 13.434 -2.052 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.555 11.532 -4.363 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.115 12.115 -3.816 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -11.372 14.458 -4.432 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.923 13.760 -5.127 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -11.623 14.131 -6.863 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.276 12.422 -6.694 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.795 13.794 -6.026 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -11.806 10.897 -5.690 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.180 9.859 -5.296 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -15.555 12.454 -5.518 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -15.294 10.737 -5.199 1.00 0.00 H new ATOM 597 N GLU A 42 -9.471 10.566 -1.937 1.00 0.00 N ATOM 598 CA GLU A 42 -9.352 9.315 -1.197 1.00 0.00 C ATOM 599 C GLU A 42 -7.961 8.712 -1.369 1.00 0.00 C ATOM 600 O GLU A 42 -7.099 9.290 -2.031 1.00 0.00 O ATOM 601 CB GLU A 42 -10.415 8.318 -1.663 1.00 0.00 C ATOM 602 CG GLU A 42 -10.538 8.222 -3.174 1.00 0.00 C ATOM 603 CD GLU A 42 -11.933 7.832 -3.622 1.00 0.00 C ATOM 604 OE1 GLU A 42 -12.908 8.269 -2.974 1.00 0.00 O ATOM 605 OE2 GLU A 42 -12.051 7.090 -4.620 1.00 0.00 O ATOM 0 H GLU A 42 -8.736 10.719 -2.628 1.00 0.00 H new ATOM 0 HA GLU A 42 -9.507 9.531 -0.140 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.177 7.332 -1.263 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.380 8.607 -1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -10.273 9.181 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.822 7.489 -3.547 1.00 0.00 H new ATOM 612 N TYR A 43 -7.751 7.545 -0.769 1.00 0.00 N ATOM 613 CA TYR A 43 -6.465 6.864 -0.853 1.00 0.00 C ATOM 614 C TYR A 43 -6.648 5.402 -1.249 1.00 0.00 C ATOM 615 O TYR A 43 -7.321 4.639 -0.556 1.00 0.00 O ATOM 616 CB TYR A 43 -5.729 6.952 0.485 1.00 0.00 C ATOM 617 CG TYR A 43 -5.635 8.359 1.033 1.00 0.00 C ATOM 618 CD1 TYR A 43 -4.600 9.205 0.653 1.00 0.00 C ATOM 619 CD2 TYR A 43 -6.581 8.841 1.929 1.00 0.00 C ATOM 620 CE1 TYR A 43 -4.510 10.491 1.152 1.00 0.00 C ATOM 621 CE2 TYR A 43 -6.500 10.125 2.431 1.00 0.00 C ATOM 622 CZ TYR A 43 -5.462 10.946 2.040 1.00 0.00 C ATOM 623 OH TYR A 43 -5.377 12.226 2.537 1.00 0.00 O ATOM 0 H TYR A 43 -8.455 7.052 -0.220 1.00 0.00 H new ATOM 0 HA TYR A 43 -5.870 7.359 -1.621 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.239 6.321 1.213 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -4.723 6.550 0.364 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -3.854 8.852 -0.043 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -7.394 8.201 2.238 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -3.699 11.136 0.848 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.245 10.485 3.126 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.125 12.390 3.149 1.00 0.00 H new ATOM 633 N ILE A 44 -6.042 5.019 -2.369 1.00 0.00 N ATOM 634 CA ILE A 44 -6.136 3.650 -2.857 1.00 0.00 C ATOM 635 C ILE A 44 -5.057 2.769 -2.237 1.00 0.00 C ATOM 636 O ILE A 44 -3.945 3.226 -1.970 1.00 0.00 O ATOM 637 CB ILE A 44 -6.012 3.589 -4.391 1.00 0.00 C ATOM 638 CG1 ILE A 44 -6.713 2.342 -4.933 1.00 0.00 C ATOM 639 CG2 ILE A 44 -4.548 3.602 -4.805 1.00 0.00 C ATOM 640 CD1 ILE A 44 -7.073 2.440 -6.399 1.00 0.00 C ATOM 0 H ILE A 44 -5.481 5.638 -2.954 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.118 3.279 -2.564 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.497 4.468 -4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.066 1.478 -4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.620 2.165 -4.355 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.477 3.558 -5.892 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.077 4.517 -4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.040 2.740 -4.373 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.567 1.521 -6.715 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.745 3.284 -6.553 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.167 2.586 -6.987 1.00 0.00 H new ATOM 652 N VAL A 45 -5.392 1.503 -2.010 1.00 0.00 N ATOM 653 CA VAL A 45 -4.451 0.556 -1.423 1.00 0.00 C ATOM 654 C VAL A 45 -4.379 -0.727 -2.243 1.00 0.00 C ATOM 655 O VAL A 45 -5.346 -1.483 -2.316 1.00 0.00 O ATOM 656 CB VAL A 45 -4.838 0.206 0.026 1.00 0.00 C ATOM 657 CG1 VAL A 45 -4.615 1.399 0.943 1.00 0.00 C ATOM 658 CG2 VAL A 45 -6.283 -0.265 0.092 1.00 0.00 C ATOM 0 H VAL A 45 -6.308 1.109 -2.224 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.474 1.039 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.198 -0.608 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.894 1.132 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.564 1.686 0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.227 2.236 0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.540 -0.508 1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.940 0.526 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.406 -1.151 -0.531 1.00 0.00 H new ATOM 668 N GLU A 46 -3.224 -0.965 -2.858 1.00 0.00 N ATOM 669 CA GLU A 46 -3.026 -2.158 -3.673 1.00 0.00 C ATOM 670 C GLU A 46 -2.248 -3.221 -2.903 1.00 0.00 C ATOM 671 O GLU A 46 -1.424 -2.903 -2.045 1.00 0.00 O ATOM 672 CB GLU A 46 -2.285 -1.803 -4.964 1.00 0.00 C ATOM 673 CG GLU A 46 -3.208 -1.467 -6.123 1.00 0.00 C ATOM 674 CD GLU A 46 -3.554 -2.681 -6.963 1.00 0.00 C ATOM 675 OE1 GLU A 46 -4.207 -3.603 -6.431 1.00 0.00 O ATOM 676 OE2 GLU A 46 -3.172 -2.709 -8.152 1.00 0.00 O ATOM 0 H GLU A 46 -2.413 -0.349 -2.807 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.007 -2.562 -3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.629 -0.953 -4.775 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.648 -2.640 -5.249 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.126 -1.024 -5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.734 -0.716 -6.755 1.00 0.00 H new ATOM 683 N TYR A 47 -2.517 -4.484 -3.214 1.00 0.00 N ATOM 684 CA TYR A 47 -1.845 -5.594 -2.550 1.00 0.00 C ATOM 685 C TYR A 47 -1.780 -6.816 -3.462 1.00 0.00 C ATOM 686 O TYR A 47 -2.677 -7.046 -4.274 1.00 0.00 O ATOM 687 CB TYR A 47 -2.568 -5.952 -1.251 1.00 0.00 C ATOM 688 CG TYR A 47 -4.031 -6.285 -1.444 1.00 0.00 C ATOM 689 CD1 TYR A 47 -4.975 -5.281 -1.622 1.00 0.00 C ATOM 690 CD2 TYR A 47 -4.468 -7.604 -1.448 1.00 0.00 C ATOM 691 CE1 TYR A 47 -6.311 -5.581 -1.798 1.00 0.00 C ATOM 692 CE2 TYR A 47 -5.803 -7.913 -1.624 1.00 0.00 C ATOM 693 CZ TYR A 47 -6.721 -6.898 -1.799 1.00 0.00 C ATOM 694 OH TYR A 47 -8.051 -7.201 -1.975 1.00 0.00 O ATOM 0 H TYR A 47 -3.196 -4.764 -3.922 1.00 0.00 H new ATOM 0 HA TYR A 47 -0.827 -5.282 -2.317 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.068 -6.804 -0.790 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -2.483 -5.117 -0.556 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.658 -4.249 -1.623 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -3.752 -8.401 -1.311 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -7.032 -4.788 -1.934 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -6.126 -8.943 -1.625 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.171 -8.173 -1.951 1.00 0.00 H new ATOM 704 N SER A 48 -0.713 -7.596 -3.321 1.00 0.00 N ATOM 705 CA SER A 48 -0.528 -8.792 -4.133 1.00 0.00 C ATOM 706 C SER A 48 0.461 -9.749 -3.474 1.00 0.00 C ATOM 707 O SER A 48 1.538 -9.341 -3.037 1.00 0.00 O ATOM 708 CB SER A 48 -0.036 -8.415 -5.531 1.00 0.00 C ATOM 709 OG SER A 48 0.074 -9.559 -6.360 1.00 0.00 O ATOM 0 H SER A 48 0.036 -7.421 -2.652 1.00 0.00 H new ATOM 0 HA SER A 48 -1.491 -9.295 -4.219 1.00 0.00 H new ATOM 0 HB2 SER A 48 -0.725 -7.701 -5.982 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.933 -7.921 -5.458 1.00 0.00 H new ATOM 0 HG SER A 48 -0.775 -9.708 -6.826 1.00 0.00 H new ATOM 715 N ARG A 49 0.088 -11.022 -3.406 1.00 0.00 N ATOM 716 CA ARG A 49 0.941 -12.037 -2.800 1.00 0.00 C ATOM 717 C ARG A 49 2.252 -12.176 -3.570 1.00 0.00 C ATOM 718 O ARG A 49 2.254 -12.495 -4.759 1.00 0.00 O ATOM 719 CB ARG A 49 0.217 -13.384 -2.758 1.00 0.00 C ATOM 720 CG ARG A 49 0.997 -14.473 -2.039 1.00 0.00 C ATOM 721 CD ARG A 49 0.209 -15.772 -1.974 1.00 0.00 C ATOM 722 NE ARG A 49 1.077 -16.928 -1.769 1.00 0.00 N ATOM 723 CZ ARG A 49 0.687 -18.183 -1.961 1.00 0.00 C ATOM 724 NH1 ARG A 49 -0.551 -18.442 -2.360 1.00 0.00 N ATOM 725 NH2 ARG A 49 1.535 -19.183 -1.754 1.00 0.00 N ATOM 0 H ARG A 49 -0.800 -11.376 -3.763 1.00 0.00 H new ATOM 0 HA ARG A 49 1.169 -11.723 -1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -0.747 -13.254 -2.266 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.012 -13.709 -3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 49 1.942 -14.645 -2.553 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.239 -14.142 -1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.517 -15.715 -1.163 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.355 -15.901 -2.898 1.00 0.00 H new ATOM 0 HE ARG A 49 2.035 -16.763 -1.461 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.206 -17.677 -2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -0.848 -19.407 -2.507 1.00 0.00 H new ATOM 0 HH21 ARG A 49 2.488 -18.988 -1.447 1.00 0.00 H new ATOM 0 HH22 ARG A 49 1.234 -20.146 -1.902 1.00 0.00 H new ATOM 739 N SER A 50 3.364 -11.935 -2.883 1.00 0.00 N ATOM 740 CA SER A 50 4.680 -12.029 -3.502 1.00 0.00 C ATOM 741 C SER A 50 4.760 -13.239 -4.428 1.00 0.00 C ATOM 742 O SER A 50 5.059 -14.350 -3.991 1.00 0.00 O ATOM 743 CB SER A 50 5.767 -12.120 -2.429 1.00 0.00 C ATOM 744 OG SER A 50 7.029 -11.737 -2.948 1.00 0.00 O ATOM 0 H SER A 50 3.379 -11.673 -1.897 1.00 0.00 H new ATOM 0 HA SER A 50 4.840 -11.129 -4.095 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.506 -11.478 -1.587 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.821 -13.140 -2.047 1.00 0.00 H new ATOM 0 HG SER A 50 7.706 -11.802 -2.243 1.00 0.00 H new ATOM 750 N GLY A 51 4.491 -13.015 -5.710 1.00 0.00 N ATOM 751 CA GLY A 51 4.537 -14.096 -6.678 1.00 0.00 C ATOM 752 C GLY A 51 3.212 -14.296 -7.386 1.00 0.00 C ATOM 753 O GLY A 51 2.705 -15.415 -7.463 1.00 0.00 O ATOM 0 H GLY A 51 4.242 -12.104 -6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.312 -13.887 -7.416 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.819 -15.020 -6.173 1.00 0.00 H new ATOM 757 N SER A 52 2.650 -13.209 -7.905 1.00 0.00 N ATOM 758 CA SER A 52 1.373 -13.270 -8.606 1.00 0.00 C ATOM 759 C SER A 52 1.225 -12.096 -9.569 1.00 0.00 C ATOM 760 O SER A 52 1.760 -11.013 -9.333 1.00 0.00 O ATOM 761 CB SER A 52 0.216 -13.271 -7.604 1.00 0.00 C ATOM 762 OG SER A 52 0.316 -14.367 -6.712 1.00 0.00 O ATOM 0 H SER A 52 3.059 -12.276 -7.853 1.00 0.00 H new ATOM 0 HA SER A 52 1.347 -14.195 -9.182 1.00 0.00 H new ATOM 0 HB2 SER A 52 0.218 -12.338 -7.041 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.733 -13.319 -8.139 1.00 0.00 H new ATOM 0 HG SER A 52 -0.433 -14.345 -6.081 1.00 0.00 H new ATOM 768 N LYS A 53 0.496 -12.320 -10.657 1.00 0.00 N ATOM 769 CA LYS A 53 0.275 -11.282 -11.658 1.00 0.00 C ATOM 770 C LYS A 53 -1.123 -10.687 -11.525 1.00 0.00 C ATOM 771 O LYS A 53 -1.766 -10.362 -12.522 1.00 0.00 O ATOM 772 CB LYS A 53 0.466 -11.853 -13.065 1.00 0.00 C ATOM 773 CG LYS A 53 1.923 -12.013 -13.463 1.00 0.00 C ATOM 774 CD LYS A 53 2.080 -12.125 -14.970 1.00 0.00 C ATOM 775 CE LYS A 53 1.638 -13.489 -15.477 1.00 0.00 C ATOM 776 NZ LYS A 53 2.336 -13.866 -16.737 1.00 0.00 N ATOM 0 H LYS A 53 0.048 -13.212 -10.868 1.00 0.00 H new ATOM 0 HA LYS A 53 1.005 -10.490 -11.492 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.027 -12.823 -13.124 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.029 -11.200 -13.784 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.496 -11.160 -13.099 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.336 -12.902 -12.986 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.492 -11.347 -15.457 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.122 -11.955 -15.242 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.835 -14.241 -14.714 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.561 -13.482 -15.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.007 -14.802 -17.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.127 -13.162 -17.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.362 -13.898 -16.569 1.00 0.00 H new ATOM 790 N MET A 54 -1.586 -10.546 -10.287 1.00 0.00 N ATOM 791 CA MET A 54 -2.907 -9.987 -10.025 1.00 0.00 C ATOM 792 C MET A 54 -2.904 -9.164 -8.740 1.00 0.00 C ATOM 793 O MET A 54 -2.640 -9.688 -7.658 1.00 0.00 O ATOM 794 CB MET A 54 -3.947 -11.104 -9.926 1.00 0.00 C ATOM 795 CG MET A 54 -4.596 -11.450 -11.256 1.00 0.00 C ATOM 796 SD MET A 54 -6.041 -10.431 -11.609 1.00 0.00 S ATOM 797 CE MET A 54 -7.317 -11.683 -11.726 1.00 0.00 C ATOM 0 H MET A 54 -1.066 -10.811 -9.450 1.00 0.00 H new ATOM 0 HA MET A 54 -3.167 -9.331 -10.856 1.00 0.00 H new ATOM 0 HB2 MET A 54 -3.472 -11.997 -9.520 1.00 0.00 H new ATOM 0 HB3 MET A 54 -4.722 -10.806 -9.220 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.865 -11.327 -12.055 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.889 -12.500 -11.251 1.00 0.00 H new ATOM 0 HE1 MET A 54 -8.274 -11.208 -11.942 1.00 0.00 H new ATOM 0 HE2 MET A 54 -7.070 -12.381 -12.526 1.00 0.00 H new ATOM 0 HE3 MET A 54 -7.385 -12.223 -10.782 1.00 0.00 H new ATOM 807 N TRP A 55 -3.198 -7.875 -8.868 1.00 0.00 N ATOM 808 CA TRP A 55 -3.229 -6.981 -7.716 1.00 0.00 C ATOM 809 C TRP A 55 -4.645 -6.482 -7.452 1.00 0.00 C ATOM 810 O TRP A 55 -5.417 -6.256 -8.383 1.00 0.00 O ATOM 811 CB TRP A 55 -2.291 -5.794 -7.941 1.00 0.00 C ATOM 812 CG TRP A 55 -0.841 -6.175 -7.944 1.00 0.00 C ATOM 813 CD1 TRP A 55 -0.215 -7.013 -8.822 1.00 0.00 C ATOM 814 CD2 TRP A 55 0.162 -5.734 -7.023 1.00 0.00 C ATOM 815 NE1 TRP A 55 1.117 -7.119 -8.503 1.00 0.00 N ATOM 816 CE2 TRP A 55 1.374 -6.343 -7.404 1.00 0.00 C ATOM 817 CE3 TRP A 55 0.156 -4.882 -5.915 1.00 0.00 C ATOM 818 CZ2 TRP A 55 2.564 -6.128 -6.714 1.00 0.00 C ATOM 819 CZ3 TRP A 55 1.338 -4.669 -5.232 1.00 0.00 C ATOM 820 CH2 TRP A 55 2.529 -5.289 -5.633 1.00 0.00 C ATOM 0 H TRP A 55 -3.418 -7.426 -9.757 1.00 0.00 H new ATOM 0 HA TRP A 55 -2.893 -7.541 -6.844 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.537 -5.321 -8.892 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.463 -5.052 -7.162 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -0.696 -7.518 -9.646 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.803 -7.684 -9.003 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -0.756 -4.399 -5.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 3.482 -6.606 -7.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 1.344 -4.013 -4.374 1.00 0.00 H new ATOM 0 HH2 TRP A 55 3.437 -5.101 -5.079 1.00 0.00 H new ATOM 831 N ALA A 56 -4.980 -6.313 -6.177 1.00 0.00 N ATOM 832 CA ALA A 56 -6.303 -5.838 -5.791 1.00 0.00 C ATOM 833 C ALA A 56 -6.224 -4.466 -5.132 1.00 0.00 C ATOM 834 O ALA A 56 -5.567 -4.297 -4.104 1.00 0.00 O ATOM 835 CB ALA A 56 -6.970 -6.837 -4.857 1.00 0.00 C ATOM 0 H ALA A 56 -4.353 -6.498 -5.394 1.00 0.00 H new ATOM 0 HA ALA A 56 -6.905 -5.743 -6.694 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -7.957 -6.470 -4.577 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -7.070 -7.797 -5.363 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.361 -6.961 -3.961 1.00 0.00 H new ATOM 841 N SER A 57 -6.896 -3.487 -5.730 1.00 0.00 N ATOM 842 CA SER A 57 -6.897 -2.127 -5.202 1.00 0.00 C ATOM 843 C SER A 57 -8.267 -1.765 -4.637 1.00 0.00 C ATOM 844 O SER A 57 -9.296 -2.216 -5.141 1.00 0.00 O ATOM 845 CB SER A 57 -6.505 -1.133 -6.297 1.00 0.00 C ATOM 846 OG SER A 57 -7.619 -0.799 -7.106 1.00 0.00 O ATOM 0 H SER A 57 -7.446 -3.610 -6.580 1.00 0.00 H new ATOM 0 HA SER A 57 -6.166 -2.075 -4.395 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.097 -0.230 -5.843 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.717 -1.562 -6.917 1.00 0.00 H new ATOM 0 HG SER A 57 -7.315 -0.292 -7.888 1.00 0.00 H new ATOM 852 N GLN A 58 -8.271 -0.948 -3.589 1.00 0.00 N ATOM 853 CA GLN A 58 -9.514 -0.526 -2.955 1.00 0.00 C ATOM 854 C GLN A 58 -9.388 0.889 -2.400 1.00 0.00 C ATOM 855 O GLN A 58 -8.296 1.334 -2.048 1.00 0.00 O ATOM 856 CB GLN A 58 -9.893 -1.494 -1.833 1.00 0.00 C ATOM 857 CG GLN A 58 -8.913 -1.493 -0.671 1.00 0.00 C ATOM 858 CD GLN A 58 -9.448 -2.226 0.544 1.00 0.00 C ATOM 859 OE1 GLN A 58 -10.566 -1.974 0.993 1.00 0.00 O ATOM 860 NE2 GLN A 58 -8.649 -3.141 1.082 1.00 0.00 N ATOM 0 H GLN A 58 -7.428 -0.565 -3.161 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.299 -0.532 -3.711 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -10.885 -1.236 -1.461 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -9.958 -2.503 -2.241 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -7.979 -1.956 -0.988 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -8.681 -0.464 -0.397 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -7.730 -3.317 0.677 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -8.955 -3.667 1.900 1.00 0.00 H new ATOM 869 N ARG A 59 -10.514 1.592 -2.326 1.00 0.00 N ATOM 870 CA ARG A 59 -10.529 2.958 -1.815 1.00 0.00 C ATOM 871 C ARG A 59 -10.576 2.968 -0.290 1.00 0.00 C ATOM 872 O ARG A 59 -11.237 2.133 0.326 1.00 0.00 O ATOM 873 CB ARG A 59 -11.730 3.722 -2.378 1.00 0.00 C ATOM 874 CG ARG A 59 -11.441 4.426 -3.694 1.00 0.00 C ATOM 875 CD ARG A 59 -11.022 3.440 -4.773 1.00 0.00 C ATOM 876 NE ARG A 59 -12.162 2.709 -5.319 1.00 0.00 N ATOM 877 CZ ARG A 59 -13.127 3.278 -6.033 1.00 0.00 C ATOM 878 NH1 ARG A 59 -13.089 4.579 -6.285 1.00 0.00 N ATOM 879 NH2 ARG A 59 -14.132 2.546 -6.496 1.00 0.00 N ATOM 0 H ARG A 59 -11.427 1.239 -2.613 1.00 0.00 H new ATOM 0 HA ARG A 59 -9.611 3.450 -2.136 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -12.557 3.027 -2.521 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -12.057 4.460 -1.645 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -12.328 4.969 -4.020 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.652 5.164 -3.548 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.516 3.975 -5.577 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.303 2.733 -4.359 1.00 0.00 H new ATOM 0 HE ARG A 59 -12.221 1.706 -5.142 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.318 5.145 -5.931 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -13.831 5.014 -6.833 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -14.165 1.545 -6.304 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -14.872 2.984 -7.044 1.00 0.00 H new ATOM 893 N ALA A 60 -9.869 3.919 0.312 1.00 0.00 N ATOM 894 CA ALA A 60 -9.831 4.039 1.764 1.00 0.00 C ATOM 895 C ALA A 60 -10.055 5.482 2.202 1.00 0.00 C ATOM 896 O ALA A 60 -9.290 6.376 1.840 1.00 0.00 O ATOM 897 CB ALA A 60 -8.504 3.522 2.301 1.00 0.00 C ATOM 0 H ALA A 60 -9.315 4.617 -0.184 1.00 0.00 H new ATOM 0 HA ALA A 60 -10.638 3.433 2.175 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -8.489 3.617 3.387 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -8.384 2.474 2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -7.687 4.104 1.874 1.00 0.00 H new ATOM 903 N ALA A 61 -11.108 5.702 2.982 1.00 0.00 N ATOM 904 CA ALA A 61 -11.431 7.037 3.470 1.00 0.00 C ATOM 905 C ALA A 61 -10.350 7.554 4.412 1.00 0.00 C ATOM 906 O ALA A 61 -9.781 8.623 4.192 1.00 0.00 O ATOM 907 CB ALA A 61 -12.783 7.031 4.168 1.00 0.00 C ATOM 0 H ALA A 61 -11.752 4.973 3.289 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.480 7.708 2.612 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.011 8.034 4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -13.554 6.713 3.466 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -12.754 6.341 5.012 1.00 0.00 H new ATOM 913 N SER A 62 -10.071 6.789 5.463 1.00 0.00 N ATOM 914 CA SER A 62 -9.061 7.173 6.441 1.00 0.00 C ATOM 915 C SER A 62 -7.658 6.881 5.917 1.00 0.00 C ATOM 916 O SER A 62 -7.489 6.430 4.785 1.00 0.00 O ATOM 917 CB SER A 62 -9.289 6.431 7.759 1.00 0.00 C ATOM 918 OG SER A 62 -10.259 7.091 8.555 1.00 0.00 O ATOM 0 H SER A 62 -10.531 5.900 5.658 1.00 0.00 H new ATOM 0 HA SER A 62 -9.149 8.245 6.615 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.615 5.411 7.554 1.00 0.00 H new ATOM 0 HB3 SER A 62 -8.350 6.361 8.308 1.00 0.00 H new ATOM 0 HG SER A 62 -10.388 6.596 9.391 1.00 0.00 H new ATOM 924 N ASN A 63 -6.656 7.142 6.749 1.00 0.00 N ATOM 925 CA ASN A 63 -5.267 6.908 6.370 1.00 0.00 C ATOM 926 C ASN A 63 -4.865 5.461 6.642 1.00 0.00 C ATOM 927 O ASN A 63 -3.758 5.190 7.106 1.00 0.00 O ATOM 928 CB ASN A 63 -4.341 7.858 7.133 1.00 0.00 C ATOM 929 CG ASN A 63 -4.267 9.231 6.493 1.00 0.00 C ATOM 930 OD1 ASN A 63 -5.281 9.786 6.069 1.00 0.00 O ATOM 931 ND2 ASN A 63 -3.062 9.785 6.421 1.00 0.00 N ATOM 0 H ASN A 63 -6.779 7.516 7.690 1.00 0.00 H new ATOM 0 HA ASN A 63 -5.171 7.099 5.301 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -4.693 7.957 8.160 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -3.341 7.427 7.179 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -2.949 10.708 6.001 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -2.249 9.288 6.786 1.00 0.00 H new ATOM 938 N PHE A 64 -5.773 4.536 6.349 1.00 0.00 N ATOM 939 CA PHE A 64 -5.514 3.117 6.561 1.00 0.00 C ATOM 940 C PHE A 64 -6.587 2.262 5.894 1.00 0.00 C ATOM 941 O PHE A 64 -7.548 2.783 5.326 1.00 0.00 O ATOM 942 CB PHE A 64 -5.456 2.806 8.058 1.00 0.00 C ATOM 943 CG PHE A 64 -6.805 2.565 8.673 1.00 0.00 C ATOM 944 CD1 PHE A 64 -7.681 3.616 8.889 1.00 0.00 C ATOM 945 CD2 PHE A 64 -7.198 1.286 9.034 1.00 0.00 C ATOM 946 CE1 PHE A 64 -8.923 3.398 9.454 1.00 0.00 C ATOM 947 CE2 PHE A 64 -8.439 1.061 9.599 1.00 0.00 C ATOM 948 CZ PHE A 64 -9.302 2.119 9.810 1.00 0.00 C ATOM 0 H PHE A 64 -6.694 4.744 5.964 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.551 2.878 6.109 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -4.832 1.926 8.214 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.973 3.635 8.575 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.390 4.618 8.612 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -6.527 0.456 8.872 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -9.596 4.227 9.617 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.734 0.059 9.875 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.272 1.946 10.253 1.00 0.00 H new ATOM 958 N THR A 65 -6.417 0.946 5.965 1.00 0.00 N ATOM 959 CA THR A 65 -7.368 0.018 5.368 1.00 0.00 C ATOM 960 C THR A 65 -7.204 -1.385 5.942 1.00 0.00 C ATOM 961 O THR A 65 -6.337 -1.623 6.782 1.00 0.00 O ATOM 962 CB THR A 65 -7.206 -0.044 3.837 1.00 0.00 C ATOM 963 OG1 THR A 65 -8.412 -0.530 3.236 1.00 0.00 O ATOM 964 CG2 THR A 65 -6.043 -0.946 3.452 1.00 0.00 C ATOM 0 H THR A 65 -5.628 0.498 6.431 1.00 0.00 H new ATOM 0 HA THR A 65 -8.364 0.390 5.607 1.00 0.00 H new ATOM 0 HB THR A 65 -7.000 0.963 3.475 1.00 0.00 H new ATOM 0 HG1 THR A 65 -8.433 -0.274 2.290 1.00 0.00 H new ATOM 0 HG21 THR A 65 -5.948 -0.974 2.366 1.00 0.00 H new ATOM 0 HG22 THR A 65 -5.122 -0.558 3.887 1.00 0.00 H new ATOM 0 HG23 THR A 65 -6.224 -1.953 3.827 1.00 0.00 H new ATOM 972 N GLU A 66 -8.041 -2.309 5.482 1.00 0.00 N ATOM 973 CA GLU A 66 -7.988 -3.689 5.952 1.00 0.00 C ATOM 974 C GLU A 66 -8.089 -4.665 4.784 1.00 0.00 C ATOM 975 O GLU A 66 -9.164 -4.860 4.216 1.00 0.00 O ATOM 976 CB GLU A 66 -9.114 -3.954 6.953 1.00 0.00 C ATOM 977 CG GLU A 66 -8.725 -3.676 8.395 1.00 0.00 C ATOM 978 CD GLU A 66 -9.902 -3.234 9.242 1.00 0.00 C ATOM 979 OE1 GLU A 66 -10.899 -3.982 9.310 1.00 0.00 O ATOM 980 OE2 GLU A 66 -9.825 -2.139 9.838 1.00 0.00 O ATOM 0 H GLU A 66 -8.763 -2.128 4.785 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.029 -3.841 6.448 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.973 -3.336 6.692 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.430 -4.993 6.865 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.287 -4.575 8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.956 -2.904 8.417 1.00 0.00 H new ATOM 987 N ILE A 67 -6.963 -5.276 4.432 1.00 0.00 N ATOM 988 CA ILE A 67 -6.925 -6.233 3.332 1.00 0.00 C ATOM 989 C ILE A 67 -7.192 -7.650 3.827 1.00 0.00 C ATOM 990 O ILE A 67 -6.316 -8.293 4.406 1.00 0.00 O ATOM 991 CB ILE A 67 -5.568 -6.202 2.606 1.00 0.00 C ATOM 992 CG1 ILE A 67 -5.314 -4.815 2.012 1.00 0.00 C ATOM 993 CG2 ILE A 67 -5.524 -7.265 1.519 1.00 0.00 C ATOM 994 CD1 ILE A 67 -3.858 -4.545 1.705 1.00 0.00 C ATOM 0 H ILE A 67 -6.065 -5.126 4.892 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.709 -5.941 2.633 1.00 0.00 H new ATOM 0 HB ILE A 67 -4.781 -6.417 3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.895 -4.709 1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.676 -4.059 2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.558 -7.230 1.015 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.665 -8.249 1.966 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -6.318 -7.079 0.796 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -3.754 -3.544 1.287 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -3.273 -4.618 2.622 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.496 -5.278 0.984 1.00 0.00 H new ATOM 1006 N LYS A 68 -8.407 -8.133 3.595 1.00 0.00 N ATOM 1007 CA LYS A 68 -8.791 -9.476 4.014 1.00 0.00 C ATOM 1008 C LYS A 68 -8.647 -10.467 2.863 1.00 0.00 C ATOM 1009 O LYS A 68 -8.200 -10.108 1.774 1.00 0.00 O ATOM 1010 CB LYS A 68 -10.232 -9.481 4.528 1.00 0.00 C ATOM 1011 CG LYS A 68 -10.598 -8.238 5.321 1.00 0.00 C ATOM 1012 CD LYS A 68 -11.646 -8.541 6.379 1.00 0.00 C ATOM 1013 CE LYS A 68 -11.497 -7.630 7.588 1.00 0.00 C ATOM 1014 NZ LYS A 68 -12.598 -7.828 8.571 1.00 0.00 N ATOM 0 H LYS A 68 -9.144 -7.614 3.118 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.124 -9.782 4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -10.911 -9.574 3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -10.382 -10.360 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -9.705 -7.833 5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.974 -7.471 4.644 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -12.641 -8.420 5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -11.558 -9.581 6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.539 -7.822 8.072 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.485 -6.591 7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -12.460 -7.189 9.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.510 -7.620 8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.594 -8.813 8.903 1.00 0.00 H new ATOM 1028 N ASN A 69 -9.032 -11.715 3.110 1.00 0.00 N ATOM 1029 CA ASN A 69 -8.947 -12.757 2.094 1.00 0.00 C ATOM 1030 C ASN A 69 -7.494 -13.044 1.729 1.00 0.00 C ATOM 1031 O ASN A 69 -7.137 -13.097 0.551 1.00 0.00 O ATOM 1032 CB ASN A 69 -9.727 -12.344 0.844 1.00 0.00 C ATOM 1033 CG ASN A 69 -11.052 -11.687 1.179 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -11.970 -12.336 1.680 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -11.156 -10.392 0.904 1.00 0.00 N ATOM 0 H ASN A 69 -9.406 -12.029 4.006 1.00 0.00 H new ATOM 0 HA ASN A 69 -9.386 -13.666 2.504 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -9.123 -11.656 0.253 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.907 -13.223 0.225 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.023 -9.895 1.108 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.369 -9.894 0.489 1.00 0.00 H new ATOM 1042 N LEU A 70 -6.659 -13.228 2.746 1.00 0.00 N ATOM 1043 CA LEU A 70 -5.244 -13.510 2.533 1.00 0.00 C ATOM 1044 C LEU A 70 -4.881 -14.896 3.056 1.00 0.00 C ATOM 1045 O LEU A 70 -5.708 -15.580 3.661 1.00 0.00 O ATOM 1046 CB LEU A 70 -4.383 -12.450 3.222 1.00 0.00 C ATOM 1047 CG LEU A 70 -4.739 -10.995 2.919 1.00 0.00 C ATOM 1048 CD1 LEU A 70 -4.014 -10.058 3.872 1.00 0.00 C ATOM 1049 CD2 LEU A 70 -4.404 -10.654 1.474 1.00 0.00 C ATOM 0 H LEU A 70 -6.938 -13.187 3.726 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.051 -13.484 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.448 -12.602 4.299 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.343 -12.615 2.939 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.812 -10.866 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -4.280 -9.027 3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.304 -10.286 4.898 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.937 -10.188 3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.664 -9.614 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.337 -10.800 1.304 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.970 -11.303 0.806 1.00 0.00 H new ATOM 1061 N LEU A 71 -3.639 -15.304 2.821 1.00 0.00 N ATOM 1062 CA LEU A 71 -3.164 -16.608 3.271 1.00 0.00 C ATOM 1063 C LEU A 71 -2.153 -16.459 4.403 1.00 0.00 C ATOM 1064 O LEU A 71 -1.052 -15.946 4.203 1.00 0.00 O ATOM 1065 CB LEU A 71 -2.533 -17.373 2.106 1.00 0.00 C ATOM 1066 CG LEU A 71 -3.408 -17.547 0.864 1.00 0.00 C ATOM 1067 CD1 LEU A 71 -2.558 -17.917 -0.341 1.00 0.00 C ATOM 1068 CD2 LEU A 71 -4.477 -18.602 1.109 1.00 0.00 C ATOM 0 H LEU A 71 -2.943 -14.751 2.322 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.020 -17.169 3.645 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.619 -16.858 1.812 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.242 -18.361 2.462 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.902 -16.598 0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.198 -18.037 -1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.831 -17.127 -0.529 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.035 -18.853 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.090 -18.713 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.001 -19.554 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.106 -18.295 1.945 1.00 0.00 H new ATOM 1080 N VAL A 72 -2.534 -16.913 5.593 1.00 0.00 N ATOM 1081 CA VAL A 72 -1.660 -16.833 6.757 1.00 0.00 C ATOM 1082 C VAL A 72 -0.272 -17.379 6.441 1.00 0.00 C ATOM 1083 O VAL A 72 -0.122 -18.285 5.622 1.00 0.00 O ATOM 1084 CB VAL A 72 -2.244 -17.609 7.952 1.00 0.00 C ATOM 1085 CG1 VAL A 72 -3.600 -17.042 8.346 1.00 0.00 C ATOM 1086 CG2 VAL A 72 -2.352 -19.091 7.624 1.00 0.00 C ATOM 0 H VAL A 72 -3.442 -17.340 5.776 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.581 -15.778 7.021 1.00 0.00 H new ATOM 0 HB VAL A 72 -1.569 -17.496 8.800 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.997 -17.603 9.192 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.489 -15.994 8.625 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.287 -17.122 7.503 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.767 -19.624 8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -3.005 -19.226 6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.362 -19.486 7.395 1.00 0.00 H new ATOM 1096 N ASN A 73 0.741 -16.822 7.096 1.00 0.00 N ATOM 1097 CA ASN A 73 2.118 -17.253 6.885 1.00 0.00 C ATOM 1098 C ASN A 73 2.523 -17.083 5.424 1.00 0.00 C ATOM 1099 O ASN A 73 3.194 -17.942 4.850 1.00 0.00 O ATOM 1100 CB ASN A 73 2.287 -18.714 7.306 1.00 0.00 C ATOM 1101 CG ASN A 73 2.375 -18.875 8.812 1.00 0.00 C ATOM 1102 OD1 ASN A 73 2.478 -17.894 9.547 1.00 0.00 O ATOM 1103 ND2 ASN A 73 2.334 -20.118 9.277 1.00 0.00 N ATOM 0 H ASN A 73 0.634 -16.071 7.778 1.00 0.00 H new ATOM 0 HA ASN A 73 2.767 -16.628 7.499 1.00 0.00 H new ATOM 0 HB2 ASN A 73 1.447 -19.297 6.929 1.00 0.00 H new ATOM 0 HB3 ASN A 73 3.188 -19.120 6.847 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.389 -20.289 10.281 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.248 -20.902 8.630 1.00 0.00 H new ATOM 1110 N THR A 74 2.111 -15.969 4.827 1.00 0.00 N ATOM 1111 CA THR A 74 2.430 -15.686 3.433 1.00 0.00 C ATOM 1112 C THR A 74 2.871 -14.238 3.253 1.00 0.00 C ATOM 1113 O THR A 74 2.350 -13.333 3.908 1.00 0.00 O ATOM 1114 CB THR A 74 1.225 -15.962 2.514 1.00 0.00 C ATOM 1115 OG1 THR A 74 0.686 -17.259 2.790 1.00 0.00 O ATOM 1116 CG2 THR A 74 1.630 -15.876 1.050 1.00 0.00 C ATOM 0 H THR A 74 1.556 -15.248 5.287 1.00 0.00 H new ATOM 0 HA THR A 74 3.249 -16.349 3.155 1.00 0.00 H new ATOM 0 HB THR A 74 0.466 -15.205 2.709 1.00 0.00 H new ATOM 0 HG1 THR A 74 -0.032 -17.181 3.452 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.763 -16.075 0.420 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.013 -14.878 0.836 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.405 -16.614 0.843 1.00 0.00 H new ATOM 1124 N LEU A 75 3.833 -14.024 2.362 1.00 0.00 N ATOM 1125 CA LEU A 75 4.344 -12.684 2.095 1.00 0.00 C ATOM 1126 C LEU A 75 3.360 -11.885 1.246 1.00 0.00 C ATOM 1127 O LEU A 75 2.885 -12.361 0.215 1.00 0.00 O ATOM 1128 CB LEU A 75 5.698 -12.764 1.387 1.00 0.00 C ATOM 1129 CG LEU A 75 6.596 -11.534 1.514 1.00 0.00 C ATOM 1130 CD1 LEU A 75 6.040 -10.380 0.694 1.00 0.00 C ATOM 1131 CD2 LEU A 75 6.744 -11.130 2.974 1.00 0.00 C ATOM 0 H LEU A 75 4.275 -14.761 1.812 1.00 0.00 H new ATOM 0 HA LEU A 75 4.470 -12.173 3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.239 -13.626 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.521 -12.952 0.328 1.00 0.00 H new ATOM 0 HG LEU A 75 7.583 -11.787 1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.693 -9.513 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.986 -10.672 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.042 -10.127 1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.387 -10.253 3.045 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.763 -10.896 3.388 1.00 0.00 H new ATOM 0 HD23 LEU A 75 7.188 -11.952 3.536 1.00 0.00 H new ATOM 1143 N TYR A 76 3.060 -10.668 1.686 1.00 0.00 N ATOM 1144 CA TYR A 76 2.133 -9.803 0.967 1.00 0.00 C ATOM 1145 C TYR A 76 2.704 -8.396 0.818 1.00 0.00 C ATOM 1146 O TYR A 76 3.148 -7.786 1.791 1.00 0.00 O ATOM 1147 CB TYR A 76 0.788 -9.745 1.694 1.00 0.00 C ATOM 1148 CG TYR A 76 -0.132 -10.896 1.359 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -0.798 -10.946 0.140 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -0.337 -11.933 2.260 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -1.641 -11.996 -0.171 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -1.176 -12.988 1.957 1.00 0.00 C ATOM 1153 CZ TYR A 76 -1.826 -13.015 0.741 1.00 0.00 C ATOM 1154 OH TYR A 76 -2.664 -14.063 0.436 1.00 0.00 O ATOM 0 H TYR A 76 3.445 -10.259 2.537 1.00 0.00 H new ATOM 0 HA TYR A 76 1.983 -10.222 -0.028 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.966 -9.735 2.769 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.290 -8.808 1.444 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.654 -10.151 -0.576 1.00 0.00 H new ATOM 0 HD2 TYR A 76 0.168 -11.914 3.214 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.152 -12.019 -1.122 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -1.322 -13.787 2.669 1.00 0.00 H new ATOM 0 HH TYR A 76 -2.158 -14.902 0.453 1.00 0.00 H new ATOM 1164 N THR A 77 2.690 -7.885 -0.410 1.00 0.00 N ATOM 1165 CA THR A 77 3.206 -6.551 -0.689 1.00 0.00 C ATOM 1166 C THR A 77 2.072 -5.564 -0.937 1.00 0.00 C ATOM 1167 O THR A 77 1.397 -5.624 -1.965 1.00 0.00 O ATOM 1168 CB THR A 77 4.145 -6.557 -1.910 1.00 0.00 C ATOM 1169 OG1 THR A 77 5.209 -7.492 -1.706 1.00 0.00 O ATOM 1170 CG2 THR A 77 4.721 -5.170 -2.156 1.00 0.00 C ATOM 0 H THR A 77 2.327 -8.376 -1.227 1.00 0.00 H new ATOM 0 HA THR A 77 3.769 -6.238 0.191 1.00 0.00 H new ATOM 0 HB THR A 77 3.566 -6.853 -2.785 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.800 -7.491 -2.488 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.381 -5.199 -3.023 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.909 -4.466 -2.341 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.286 -4.850 -1.280 1.00 0.00 H new ATOM 1178 N VAL A 78 1.868 -4.654 0.010 1.00 0.00 N ATOM 1179 CA VAL A 78 0.816 -3.651 -0.107 1.00 0.00 C ATOM 1180 C VAL A 78 1.400 -2.274 -0.404 1.00 0.00 C ATOM 1181 O VAL A 78 2.550 -1.991 -0.069 1.00 0.00 O ATOM 1182 CB VAL A 78 -0.029 -3.571 1.178 1.00 0.00 C ATOM 1183 CG1 VAL A 78 -1.229 -2.659 0.973 1.00 0.00 C ATOM 1184 CG2 VAL A 78 -0.474 -4.961 1.609 1.00 0.00 C ATOM 0 H VAL A 78 2.417 -4.591 0.867 1.00 0.00 H new ATOM 0 HA VAL A 78 0.177 -3.958 -0.935 1.00 0.00 H new ATOM 0 HB VAL A 78 0.587 -3.148 1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.814 -2.615 1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.885 -1.658 0.714 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.849 -3.050 0.166 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -1.070 -4.886 2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -1.073 -5.413 0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.402 -5.581 1.799 1.00 0.00 H new ATOM 1194 N ARG A 79 0.599 -1.421 -1.035 1.00 0.00 N ATOM 1195 CA ARG A 79 1.036 -0.074 -1.378 1.00 0.00 C ATOM 1196 C ARG A 79 -0.127 0.911 -1.303 1.00 0.00 C ATOM 1197 O ARG A 79 -1.278 0.547 -1.541 1.00 0.00 O ATOM 1198 CB ARG A 79 1.645 -0.054 -2.781 1.00 0.00 C ATOM 1199 CG ARG A 79 0.673 -0.468 -3.873 1.00 0.00 C ATOM 1200 CD ARG A 79 1.400 -0.847 -5.153 1.00 0.00 C ATOM 1201 NE ARG A 79 2.552 -1.706 -4.895 1.00 0.00 N ATOM 1202 CZ ARG A 79 3.552 -1.873 -5.753 1.00 0.00 C ATOM 1203 NH1 ARG A 79 3.541 -1.243 -6.920 1.00 0.00 N ATOM 1204 NH2 ARG A 79 4.566 -2.672 -5.445 1.00 0.00 N ATOM 0 H ARG A 79 -0.356 -1.640 -1.319 1.00 0.00 H new ATOM 0 HA ARG A 79 1.794 0.229 -0.656 1.00 0.00 H new ATOM 0 HB2 ARG A 79 2.012 0.950 -2.994 1.00 0.00 H new ATOM 0 HB3 ARG A 79 2.508 -0.720 -2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.076 -1.313 -3.529 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.019 0.350 -4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 79 0.710 -1.358 -5.824 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.730 0.058 -5.664 1.00 0.00 H new ATOM 0 HE ARG A 79 2.591 -2.206 -4.007 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.763 -0.628 -7.160 1.00 0.00 H new ATOM 0 HH12 ARG A 79 4.310 -1.373 -7.577 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.578 -3.159 -4.549 1.00 0.00 H new ATOM 0 HH22 ARG A 79 5.333 -2.800 -6.105 1.00 0.00 H new ATOM 1218 N VAL A 80 0.183 2.160 -0.969 1.00 0.00 N ATOM 1219 CA VAL A 80 -0.836 3.198 -0.863 1.00 0.00 C ATOM 1220 C VAL A 80 -0.515 4.379 -1.772 1.00 0.00 C ATOM 1221 O VAL A 80 0.646 4.755 -1.931 1.00 0.00 O ATOM 1222 CB VAL A 80 -0.974 3.702 0.586 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -2.073 4.750 0.684 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -1.247 2.541 1.530 1.00 0.00 C ATOM 0 H VAL A 80 1.131 2.477 -0.767 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.779 2.749 -1.176 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.034 4.167 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -2.156 5.095 1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.830 5.594 0.038 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.021 4.314 0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.342 2.915 2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.173 2.045 1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.423 1.830 1.480 1.00 0.00 H new ATOM 1234 N ALA A 81 -1.551 4.959 -2.368 1.00 0.00 N ATOM 1235 CA ALA A 81 -1.380 6.099 -3.259 1.00 0.00 C ATOM 1236 C ALA A 81 -2.473 7.139 -3.037 1.00 0.00 C ATOM 1237 O ALA A 81 -3.644 6.798 -2.876 1.00 0.00 O ATOM 1238 CB ALA A 81 -1.374 5.639 -4.710 1.00 0.00 C ATOM 0 H ALA A 81 -2.518 4.658 -2.250 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.421 6.564 -3.032 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.246 6.501 -5.364 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.553 4.939 -4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.319 5.147 -4.940 1.00 0.00 H new ATOM 1244 N ALA A 82 -2.082 8.409 -3.029 1.00 0.00 N ATOM 1245 CA ALA A 82 -3.029 9.499 -2.828 1.00 0.00 C ATOM 1246 C ALA A 82 -3.744 9.852 -4.127 1.00 0.00 C ATOM 1247 O ALA A 82 -3.110 10.223 -5.116 1.00 0.00 O ATOM 1248 CB ALA A 82 -2.316 10.720 -2.266 1.00 0.00 C ATOM 0 H ALA A 82 -1.116 8.709 -3.159 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.780 9.168 -2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -3.035 11.526 -2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.858 10.466 -1.310 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.544 11.044 -2.964 1.00 0.00 H new ATOM 1254 N VAL A 83 -5.068 9.735 -4.120 1.00 0.00 N ATOM 1255 CA VAL A 83 -5.869 10.042 -5.299 1.00 0.00 C ATOM 1256 C VAL A 83 -6.291 11.507 -5.309 1.00 0.00 C ATOM 1257 O VAL A 83 -6.580 12.090 -4.264 1.00 0.00 O ATOM 1258 CB VAL A 83 -7.127 9.156 -5.368 1.00 0.00 C ATOM 1259 CG1 VAL A 83 -8.215 9.836 -6.186 1.00 0.00 C ATOM 1260 CG2 VAL A 83 -6.787 7.792 -5.949 1.00 0.00 C ATOM 0 H VAL A 83 -5.609 9.430 -3.311 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.244 9.841 -6.169 1.00 0.00 H new ATOM 0 HB VAL A 83 -7.503 9.011 -4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -9.096 9.195 -6.224 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.478 10.787 -5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.852 10.013 -7.198 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.688 7.179 -5.990 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -6.385 7.915 -6.955 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.044 7.303 -5.319 1.00 0.00 H new ATOM 1270 N THR A 84 -6.325 12.099 -6.500 1.00 0.00 N ATOM 1271 CA THR A 84 -6.711 13.496 -6.647 1.00 0.00 C ATOM 1272 C THR A 84 -7.837 13.651 -7.664 1.00 0.00 C ATOM 1273 O THR A 84 -8.343 12.665 -8.198 1.00 0.00 O ATOM 1274 CB THR A 84 -5.517 14.366 -7.084 1.00 0.00 C ATOM 1275 OG1 THR A 84 -4.960 13.857 -8.301 1.00 0.00 O ATOM 1276 CG2 THR A 84 -4.446 14.396 -6.004 1.00 0.00 C ATOM 0 H THR A 84 -6.090 11.632 -7.376 1.00 0.00 H new ATOM 0 HA THR A 84 -7.058 13.833 -5.670 1.00 0.00 H new ATOM 0 HB THR A 84 -5.876 15.382 -7.246 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.932 12.878 -8.264 1.00 0.00 H new ATOM 0 HG21 THR A 84 -3.613 15.016 -6.335 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.865 14.810 -5.087 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.091 13.383 -5.815 1.00 0.00 H new ATOM 1284 N SER A 85 -8.223 14.895 -7.927 1.00 0.00 N ATOM 1285 CA SER A 85 -9.291 15.179 -8.878 1.00 0.00 C ATOM 1286 C SER A 85 -8.953 14.621 -10.257 1.00 0.00 C ATOM 1287 O SER A 85 -9.842 14.251 -11.024 1.00 0.00 O ATOM 1288 CB SER A 85 -9.533 16.687 -8.972 1.00 0.00 C ATOM 1289 OG SER A 85 -8.394 17.355 -9.486 1.00 0.00 O ATOM 0 H SER A 85 -7.812 15.723 -7.495 1.00 0.00 H new ATOM 0 HA SER A 85 -10.199 14.694 -8.521 1.00 0.00 H new ATOM 0 HB2 SER A 85 -10.393 16.881 -9.613 1.00 0.00 H new ATOM 0 HB3 SER A 85 -9.776 17.082 -7.985 1.00 0.00 H new ATOM 0 HG SER A 85 -8.575 18.317 -9.538 1.00 0.00 H new ATOM 1295 N ARG A 86 -7.662 14.563 -10.565 1.00 0.00 N ATOM 1296 CA ARG A 86 -7.205 14.051 -11.852 1.00 0.00 C ATOM 1297 C ARG A 86 -7.167 12.526 -11.848 1.00 0.00 C ATOM 1298 O ARG A 86 -7.755 11.878 -12.712 1.00 0.00 O ATOM 1299 CB ARG A 86 -5.818 14.606 -12.182 1.00 0.00 C ATOM 1300 CG ARG A 86 -5.221 14.033 -13.457 1.00 0.00 C ATOM 1301 CD ARG A 86 -5.651 14.829 -14.679 1.00 0.00 C ATOM 1302 NE ARG A 86 -7.014 14.504 -15.092 1.00 0.00 N ATOM 1303 CZ ARG A 86 -7.526 14.844 -16.270 1.00 0.00 C ATOM 1304 NH1 ARG A 86 -6.792 15.513 -17.147 1.00 0.00 N ATOM 1305 NH2 ARG A 86 -8.775 14.512 -16.572 1.00 0.00 N ATOM 0 H ARG A 86 -6.913 14.864 -9.941 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.911 14.377 -12.616 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -5.883 15.690 -12.276 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.145 14.398 -11.350 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.133 14.035 -13.384 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.531 12.994 -13.570 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.583 15.895 -14.460 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.965 14.628 -15.502 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.605 13.988 -14.440 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -5.831 15.768 -16.919 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -7.188 15.773 -18.051 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.342 13.996 -15.900 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -9.168 14.773 -17.476 1.00 0.00 H new ATOM 1319 N GLY A 87 -6.470 11.959 -10.868 1.00 0.00 N ATOM 1320 CA GLY A 87 -6.368 10.514 -10.770 1.00 0.00 C ATOM 1321 C GLY A 87 -5.392 10.074 -9.697 1.00 0.00 C ATOM 1322 O GLY A 87 -5.081 10.835 -8.781 1.00 0.00 O ATOM 0 H GLY A 87 -5.974 12.474 -10.140 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.352 10.097 -10.555 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -6.053 10.109 -11.732 1.00 0.00 H new ATOM 1326 N ILE A 88 -4.909 8.841 -9.809 1.00 0.00 N ATOM 1327 CA ILE A 88 -3.963 8.300 -8.840 1.00 0.00 C ATOM 1328 C ILE A 88 -2.560 8.849 -9.077 1.00 0.00 C ATOM 1329 O ILE A 88 -2.109 8.960 -10.216 1.00 0.00 O ATOM 1330 CB ILE A 88 -3.917 6.762 -8.897 1.00 0.00 C ATOM 1331 CG1 ILE A 88 -5.289 6.176 -8.558 1.00 0.00 C ATOM 1332 CG2 ILE A 88 -2.857 6.229 -7.944 1.00 0.00 C ATOM 1333 CD1 ILE A 88 -5.446 4.728 -8.967 1.00 0.00 C ATOM 0 H ILE A 88 -5.157 8.198 -10.561 1.00 0.00 H new ATOM 0 HA ILE A 88 -4.310 8.608 -7.854 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.654 6.458 -9.910 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.456 6.262 -7.484 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -6.060 6.769 -9.049 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.836 5.140 -7.995 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.881 6.624 -8.227 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.093 6.540 -6.926 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.442 4.379 -8.696 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.311 4.638 -10.045 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.698 4.122 -8.455 1.00 0.00 H new ATOM 1345 N GLY A 89 -1.873 9.190 -7.990 1.00 0.00 N ATOM 1346 CA GLY A 89 -0.527 9.721 -8.101 1.00 0.00 C ATOM 1347 C GLY A 89 0.534 8.663 -7.874 1.00 0.00 C ATOM 1348 O GLY A 89 0.262 7.468 -7.984 1.00 0.00 O ATOM 0 H GLY A 89 -2.224 9.108 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.393 10.159 -9.090 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.396 10.524 -7.376 1.00 0.00 H new ATOM 1352 N ASN A 90 1.748 9.102 -7.558 1.00 0.00 N ATOM 1353 CA ASN A 90 2.855 8.184 -7.318 1.00 0.00 C ATOM 1354 C ASN A 90 2.485 7.151 -6.258 1.00 0.00 C ATOM 1355 O ASN A 90 1.699 7.430 -5.353 1.00 0.00 O ATOM 1356 CB ASN A 90 4.101 8.957 -6.880 1.00 0.00 C ATOM 1357 CG ASN A 90 4.415 10.118 -7.804 1.00 0.00 C ATOM 1358 OD1 ASN A 90 4.366 9.984 -9.026 1.00 0.00 O ATOM 1359 ND2 ASN A 90 4.741 11.266 -7.221 1.00 0.00 N ATOM 0 H ASN A 90 1.990 10.088 -7.462 1.00 0.00 H new ATOM 0 HA ASN A 90 3.069 7.661 -8.250 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.955 9.332 -5.867 1.00 0.00 H new ATOM 0 HB3 ASN A 90 4.954 8.279 -6.850 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.963 12.082 -7.791 1.00 0.00 H new ATOM 0 HD22 ASN A 90 4.769 11.331 -6.203 1.00 0.00 H new ATOM 1366 N TRP A 91 3.057 5.959 -6.377 1.00 0.00 N ATOM 1367 CA TRP A 91 2.788 4.884 -5.428 1.00 0.00 C ATOM 1368 C TRP A 91 3.798 4.900 -4.286 1.00 0.00 C ATOM 1369 O TRP A 91 5.004 4.989 -4.514 1.00 0.00 O ATOM 1370 CB TRP A 91 2.823 3.529 -6.138 1.00 0.00 C ATOM 1371 CG TRP A 91 1.669 3.317 -7.071 1.00 0.00 C ATOM 1372 CD1 TRP A 91 1.673 3.474 -8.427 1.00 0.00 C ATOM 1373 CD2 TRP A 91 0.343 2.913 -6.715 1.00 0.00 C ATOM 1374 NE1 TRP A 91 0.429 3.190 -8.937 1.00 0.00 N ATOM 1375 CE2 TRP A 91 -0.405 2.843 -7.907 1.00 0.00 C ATOM 1376 CE3 TRP A 91 -0.286 2.600 -5.507 1.00 0.00 C ATOM 1377 CZ2 TRP A 91 -1.748 2.475 -7.923 1.00 0.00 C ATOM 1378 CZ3 TRP A 91 -1.619 2.236 -5.524 1.00 0.00 C ATOM 1379 CH2 TRP A 91 -2.338 2.175 -6.725 1.00 0.00 C ATOM 0 H TRP A 91 3.710 5.712 -7.121 1.00 0.00 H new ATOM 0 HA TRP A 91 1.794 5.042 -5.010 1.00 0.00 H new ATOM 0 HB2 TRP A 91 3.754 3.444 -6.698 1.00 0.00 H new ATOM 0 HB3 TRP A 91 2.827 2.735 -5.391 1.00 0.00 H new ATOM 0 HD1 TRP A 91 2.528 3.777 -9.013 1.00 0.00 H new ATOM 0 HE1 TRP A 91 0.169 3.231 -9.922 1.00 0.00 H new ATOM 0 HE3 TRP A 91 0.260 2.642 -4.576 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -2.304 2.428 -8.848 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -2.115 1.994 -4.596 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -3.378 1.886 -6.705 1.00 0.00 H new ATOM 1390 N SER A 92 3.298 4.813 -3.058 1.00 0.00 N ATOM 1391 CA SER A 92 4.157 4.821 -1.880 1.00 0.00 C ATOM 1392 C SER A 92 5.164 3.675 -1.934 1.00 0.00 C ATOM 1393 O SER A 92 5.103 2.822 -2.820 1.00 0.00 O ATOM 1394 CB SER A 92 3.315 4.715 -0.607 1.00 0.00 C ATOM 1395 OG SER A 92 2.618 3.482 -0.558 1.00 0.00 O ATOM 0 H SER A 92 2.302 4.736 -2.853 1.00 0.00 H new ATOM 0 HA SER A 92 4.705 5.763 -1.867 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.959 4.807 0.268 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.604 5.540 -0.568 1.00 0.00 H new ATOM 0 HG SER A 92 2.369 3.283 0.369 1.00 0.00 H new ATOM 1401 N ASP A 93 6.088 3.664 -0.981 1.00 0.00 N ATOM 1402 CA ASP A 93 7.108 2.623 -0.918 1.00 0.00 C ATOM 1403 C ASP A 93 6.510 1.303 -0.441 1.00 0.00 C ATOM 1404 O ASP A 93 6.619 0.949 0.733 1.00 0.00 O ATOM 1405 CB ASP A 93 8.244 3.049 0.015 1.00 0.00 C ATOM 1406 CG ASP A 93 9.007 4.248 -0.513 1.00 0.00 C ATOM 1407 OD1 ASP A 93 9.545 4.162 -1.637 1.00 0.00 O ATOM 1408 OD2 ASP A 93 9.067 5.272 0.199 1.00 0.00 O ATOM 0 H ASP A 93 6.153 4.363 -0.241 1.00 0.00 H new ATOM 0 HA ASP A 93 7.507 2.478 -1.922 1.00 0.00 H new ATOM 0 HB2 ASP A 93 7.834 3.286 0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.932 2.214 0.150 1.00 0.00 H new ATOM 1413 N SER A 94 5.876 0.581 -1.359 1.00 0.00 N ATOM 1414 CA SER A 94 5.256 -0.697 -1.032 1.00 0.00 C ATOM 1415 C SER A 94 6.079 -1.451 0.008 1.00 0.00 C ATOM 1416 O SER A 94 7.305 -1.524 -0.087 1.00 0.00 O ATOM 1417 CB SER A 94 5.101 -1.551 -2.292 1.00 0.00 C ATOM 1418 OG SER A 94 6.361 -1.835 -2.874 1.00 0.00 O ATOM 0 H SER A 94 5.778 0.860 -2.335 1.00 0.00 H new ATOM 0 HA SER A 94 4.270 -0.496 -0.614 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.594 -2.483 -2.043 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.473 -1.029 -3.014 1.00 0.00 H new ATOM 0 HG SER A 94 6.282 -2.616 -3.461 1.00 0.00 H new ATOM 1424 N LYS A 95 5.398 -2.010 1.002 1.00 0.00 N ATOM 1425 CA LYS A 95 6.063 -2.759 2.061 1.00 0.00 C ATOM 1426 C LYS A 95 5.576 -4.204 2.094 1.00 0.00 C ATOM 1427 O LYS A 95 4.392 -4.474 1.894 1.00 0.00 O ATOM 1428 CB LYS A 95 5.816 -2.095 3.417 1.00 0.00 C ATOM 1429 CG LYS A 95 6.479 -0.736 3.559 1.00 0.00 C ATOM 1430 CD LYS A 95 7.971 -0.868 3.817 1.00 0.00 C ATOM 1431 CE LYS A 95 8.606 0.480 4.120 1.00 0.00 C ATOM 1432 NZ LYS A 95 8.463 0.850 5.556 1.00 0.00 N ATOM 0 H LYS A 95 4.384 -1.958 1.096 1.00 0.00 H new ATOM 0 HA LYS A 95 7.133 -2.760 1.854 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.742 -1.983 3.567 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.182 -2.752 4.206 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.316 -0.154 2.652 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.014 -0.187 4.378 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.138 -1.546 4.654 1.00 0.00 H new ATOM 0 HD3 LYS A 95 8.454 -1.311 2.946 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.663 0.451 3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 95 8.143 1.247 3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 8.908 1.775 5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.454 0.902 5.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 8.927 0.131 6.148 1.00 0.00 H new ATOM 1446 N SER A 96 6.496 -5.129 2.348 1.00 0.00 N ATOM 1447 CA SER A 96 6.160 -6.546 2.405 1.00 0.00 C ATOM 1448 C SER A 96 5.946 -6.996 3.847 1.00 0.00 C ATOM 1449 O SER A 96 6.598 -6.501 4.766 1.00 0.00 O ATOM 1450 CB SER A 96 7.267 -7.381 1.758 1.00 0.00 C ATOM 1451 OG SER A 96 8.532 -6.763 1.918 1.00 0.00 O ATOM 0 H SER A 96 7.480 -4.922 2.518 1.00 0.00 H new ATOM 0 HA SER A 96 5.232 -6.696 1.854 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.285 -8.375 2.205 1.00 0.00 H new ATOM 0 HB3 SER A 96 7.055 -7.512 0.697 1.00 0.00 H new ATOM 0 HG SER A 96 9.222 -7.317 1.497 1.00 0.00 H new ATOM 1457 N ILE A 97 5.027 -7.938 4.036 1.00 0.00 N ATOM 1458 CA ILE A 97 4.727 -8.456 5.364 1.00 0.00 C ATOM 1459 C ILE A 97 4.309 -9.921 5.302 1.00 0.00 C ATOM 1460 O ILE A 97 3.561 -10.328 4.412 1.00 0.00 O ATOM 1461 CB ILE A 97 3.610 -7.644 6.046 1.00 0.00 C ATOM 1462 CG1 ILE A 97 3.531 -7.992 7.534 1.00 0.00 C ATOM 1463 CG2 ILE A 97 2.275 -7.903 5.364 1.00 0.00 C ATOM 1464 CD1 ILE A 97 2.563 -7.124 8.307 1.00 0.00 C ATOM 0 H ILE A 97 4.478 -8.357 3.286 1.00 0.00 H new ATOM 0 HA ILE A 97 5.641 -8.366 5.951 1.00 0.00 H new ATOM 0 HB ILE A 97 3.844 -6.583 5.953 1.00 0.00 H new ATOM 0 HG12 ILE A 97 3.235 -9.036 7.640 1.00 0.00 H new ATOM 0 HG13 ILE A 97 4.523 -7.896 7.974 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.496 -7.322 5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.339 -7.609 4.316 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.033 -8.964 5.429 1.00 0.00 H new ATOM 0 HD11 ILE A 97 2.559 -7.427 9.354 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.870 -6.081 8.232 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.561 -7.238 7.892 1.00 0.00 H new ATOM 1476 N THR A 98 4.795 -10.711 6.255 1.00 0.00 N ATOM 1477 CA THR A 98 4.472 -12.131 6.309 1.00 0.00 C ATOM 1478 C THR A 98 3.345 -12.401 7.300 1.00 0.00 C ATOM 1479 O THR A 98 3.565 -12.445 8.510 1.00 0.00 O ATOM 1480 CB THR A 98 5.700 -12.972 6.705 1.00 0.00 C ATOM 1481 OG1 THR A 98 6.804 -12.660 5.847 1.00 0.00 O ATOM 1482 CG2 THR A 98 5.389 -14.458 6.619 1.00 0.00 C ATOM 0 H THR A 98 5.414 -10.391 7.000 1.00 0.00 H new ATOM 0 HA THR A 98 4.150 -12.420 5.309 1.00 0.00 H new ATOM 0 HB THR A 98 5.961 -12.731 7.735 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.582 -13.197 6.106 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.271 -15.031 6.903 1.00 0.00 H new ATOM 0 HG22 THR A 98 4.568 -14.697 7.294 1.00 0.00 H new ATOM 0 HG23 THR A 98 5.105 -14.712 5.598 1.00 0.00 H new ATOM 1490 N THR A 99 2.136 -12.582 6.778 1.00 0.00 N ATOM 1491 CA THR A 99 0.974 -12.847 7.617 1.00 0.00 C ATOM 1492 C THR A 99 1.268 -13.945 8.632 1.00 0.00 C ATOM 1493 O THR A 99 2.214 -14.716 8.470 1.00 0.00 O ATOM 1494 CB THR A 99 -0.247 -13.259 6.772 1.00 0.00 C ATOM 1495 OG1 THR A 99 0.112 -14.315 5.874 1.00 0.00 O ATOM 1496 CG2 THR A 99 -0.782 -12.074 5.982 1.00 0.00 C ATOM 0 H THR A 99 1.936 -12.550 5.778 1.00 0.00 H new ATOM 0 HA THR A 99 0.747 -11.920 8.144 1.00 0.00 H new ATOM 0 HB THR A 99 -1.028 -13.608 7.448 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.689 -14.636 5.409 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.644 -12.389 5.393 1.00 0.00 H new ATOM 0 HG22 THR A 99 -1.082 -11.284 6.670 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.004 -11.700 5.316 1.00 0.00 H new ATOM 1504 N ILE A 100 0.452 -14.011 9.679 1.00 0.00 N ATOM 1505 CA ILE A 100 0.624 -15.017 10.720 1.00 0.00 C ATOM 1506 C ILE A 100 -0.575 -15.957 10.780 1.00 0.00 C ATOM 1507 O ILE A 100 -1.666 -15.620 10.321 1.00 0.00 O ATOM 1508 CB ILE A 100 0.824 -14.368 12.102 1.00 0.00 C ATOM 1509 CG1 ILE A 100 -0.483 -13.737 12.587 1.00 0.00 C ATOM 1510 CG2 ILE A 100 1.932 -13.327 12.044 1.00 0.00 C ATOM 1511 CD1 ILE A 100 -0.391 -13.152 13.979 1.00 0.00 C ATOM 0 H ILE A 100 -0.335 -13.380 9.829 1.00 0.00 H new ATOM 0 HA ILE A 100 1.517 -15.588 10.463 1.00 0.00 H new ATOM 0 HB ILE A 100 1.117 -15.142 12.811 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -0.779 -12.952 11.891 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -1.270 -14.491 12.570 1.00 0.00 H new ATOM 0 HG21 ILE A 100 2.061 -12.878 13.029 1.00 0.00 H new ATOM 0 HG22 ILE A 100 2.863 -13.804 11.738 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.667 -12.553 11.324 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -1.353 -12.722 14.257 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.126 -13.937 14.687 1.00 0.00 H new ATOM 0 HD13 ILE A 100 0.373 -12.374 13.997 1.00 0.00 H new ATOM 1523 N LYS A 101 -0.365 -17.139 11.351 1.00 0.00 N ATOM 1524 CA LYS A 101 -1.429 -18.128 11.476 1.00 0.00 C ATOM 1525 C LYS A 101 -1.941 -18.198 12.911 1.00 0.00 C ATOM 1526 O LYS A 101 -1.557 -19.082 13.675 1.00 0.00 O ATOM 1527 CB LYS A 101 -0.927 -19.505 11.034 1.00 0.00 C ATOM 1528 CG LYS A 101 -2.019 -20.399 10.473 1.00 0.00 C ATOM 1529 CD LYS A 101 -2.684 -21.219 11.566 1.00 0.00 C ATOM 1530 CE LYS A 101 -1.893 -22.481 11.875 1.00 0.00 C ATOM 1531 NZ LYS A 101 -0.823 -22.233 12.881 1.00 0.00 N ATOM 0 H LYS A 101 0.533 -17.435 11.734 1.00 0.00 H new ATOM 0 HA LYS A 101 -2.252 -17.823 10.830 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.152 -19.375 10.279 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.462 -20.003 11.885 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -2.768 -19.788 9.969 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.595 -21.067 9.723 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -2.777 -20.616 12.469 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -3.694 -21.488 11.257 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -2.569 -23.251 12.246 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -1.447 -22.864 10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.773 -23.036 13.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.091 -22.125 12.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.039 -21.364 13.410 1.00 0.00 H new ATOM 1545 N GLY A 102 -2.813 -17.260 13.270 1.00 0.00 N ATOM 1546 CA GLY A 102 -3.365 -17.235 14.612 1.00 0.00 C ATOM 1547 C GLY A 102 -2.521 -16.419 15.570 1.00 0.00 C ATOM 1548 O GLY A 102 -1.612 -15.702 15.152 1.00 0.00 O ATOM 0 H GLY A 102 -3.147 -16.517 12.655 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.373 -16.823 14.579 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -3.450 -18.255 14.986 1.00 0.00 H new ATOM 1552 N SER A 103 -2.823 -16.526 16.860 1.00 0.00 N ATOM 1553 CA SER A 103 -2.089 -15.787 17.881 1.00 0.00 C ATOM 1554 C SER A 103 -1.309 -16.737 18.784 1.00 0.00 C ATOM 1555 O SER A 103 -1.500 -17.951 18.738 1.00 0.00 O ATOM 1556 CB SER A 103 -3.050 -14.942 18.719 1.00 0.00 C ATOM 1557 OG SER A 103 -3.613 -13.893 17.949 1.00 0.00 O ATOM 0 H SER A 103 -3.571 -17.117 17.223 1.00 0.00 H new ATOM 0 HA SER A 103 -1.381 -15.128 17.379 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.845 -15.574 19.114 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.520 -14.525 19.575 1.00 0.00 H new ATOM 0 HG SER A 103 -4.225 -13.369 18.507 1.00 0.00 H new ATOM 1563 N GLY A 104 -0.429 -16.173 19.606 1.00 0.00 N ATOM 1564 CA GLY A 104 0.367 -16.984 20.509 1.00 0.00 C ATOM 1565 C GLY A 104 1.856 -16.802 20.291 1.00 0.00 C ATOM 1566 O GLY A 104 2.546 -17.692 19.793 1.00 0.00 O ATOM 0 H GLY A 104 -0.253 -15.170 19.663 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.119 -16.726 21.539 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.109 -18.034 20.373 1.00 0.00 H new ATOM 1570 N PRO A 105 2.374 -15.623 20.667 1.00 0.00 N ATOM 1571 CA PRO A 105 3.796 -15.299 20.519 1.00 0.00 C ATOM 1572 C PRO A 105 4.676 -16.100 21.472 1.00 0.00 C ATOM 1573 O PRO A 105 4.179 -16.748 22.393 1.00 0.00 O ATOM 1574 CB PRO A 105 3.857 -13.808 20.860 1.00 0.00 C ATOM 1575 CG PRO A 105 2.681 -13.572 21.743 1.00 0.00 C ATOM 1576 CD PRO A 105 1.611 -14.516 21.267 1.00 0.00 C ATOM 0 HA PRO A 105 4.167 -15.538 19.522 1.00 0.00 H new ATOM 0 HB2 PRO A 105 4.789 -13.556 21.366 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.806 -13.194 19.961 1.00 0.00 H new ATOM 0 HG2 PRO A 105 2.932 -13.761 22.787 1.00 0.00 H new ATOM 0 HG3 PRO A 105 2.346 -12.537 21.678 1.00 0.00 H new ATOM 0 HD2 PRO A 105 0.984 -14.860 22.089 1.00 0.00 H new ATOM 0 HD3 PRO A 105 0.952 -14.042 20.540 1.00 0.00 H new ATOM 1584 N SER A 106 5.984 -16.051 21.244 1.00 0.00 N ATOM 1585 CA SER A 106 6.933 -16.775 22.081 1.00 0.00 C ATOM 1586 C SER A 106 6.395 -18.157 22.442 1.00 0.00 C ATOM 1587 O SER A 106 6.499 -18.595 23.588 1.00 0.00 O ATOM 1588 CB SER A 106 7.231 -15.982 23.356 1.00 0.00 C ATOM 1589 OG SER A 106 6.033 -15.595 24.006 1.00 0.00 O ATOM 0 H SER A 106 6.411 -15.518 20.487 1.00 0.00 H new ATOM 0 HA SER A 106 7.856 -16.900 21.515 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.836 -16.587 24.031 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.817 -15.097 23.109 1.00 0.00 H new ATOM 0 HG SER A 106 5.447 -16.374 24.103 1.00 0.00 H new ATOM 1595 N SER A 107 5.820 -18.837 21.456 1.00 0.00 N ATOM 1596 CA SER A 107 5.262 -20.167 21.669 1.00 0.00 C ATOM 1597 C SER A 107 6.223 -21.245 21.178 1.00 0.00 C ATOM 1598 O SER A 107 6.493 -21.354 19.983 1.00 0.00 O ATOM 1599 CB SER A 107 3.918 -20.300 20.950 1.00 0.00 C ATOM 1600 OG SER A 107 4.068 -20.121 19.552 1.00 0.00 O ATOM 0 H SER A 107 5.728 -18.489 20.502 1.00 0.00 H new ATOM 0 HA SER A 107 5.109 -20.302 22.740 1.00 0.00 H new ATOM 0 HB2 SER A 107 3.490 -21.282 21.150 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.218 -19.562 21.341 1.00 0.00 H new ATOM 0 HG SER A 107 4.941 -20.466 19.270 1.00 0.00 H new ATOM 1606 N GLY A 108 6.737 -22.040 22.112 1.00 0.00 N ATOM 1607 CA GLY A 108 7.663 -23.099 21.756 1.00 0.00 C ATOM 1608 C GLY A 108 8.116 -23.902 22.959 1.00 0.00 C ATOM 1609 O GLY A 108 7.365 -24.725 23.483 1.00 0.00 O ATOM 0 H GLY A 108 6.529 -21.969 23.108 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.188 -23.766 21.036 1.00 0.00 H new ATOM 0 HA3 GLY A 108 8.534 -22.666 21.264 1.00 0.00 H new TER 1613 GLY A 108