USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 780 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 97 LYS NZ :NH3+ -114:sc= 0.169 (180deg=0) USER MOD Set 1.2: A 100 SER OG : rot 180:sc= 0.169 USER MOD Set 2.1: A 47 MET CE :methyl 169:sc= -0.0898 (180deg=-0.17) USER MOD Set 2.2: A 56 HIS : no HD1:sc= 1.2 K(o=1.1,f=-7.4!) USER MOD Single : A 1 GLY N :NH3+ -99:sc= 0.0232 (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 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 1.01 K(o=1,f=-7.8!) USER MOD Single : A 14 GLN : amide:sc= 0.679 K(o=0.68,f=0) USER MOD Single : A 17 THR OG1 : rot 74:sc= 1.21 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -141:sc= 1.24 (180deg=1.14) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0.952 K(o=0.95,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.931 K(o=0.93,f=-0.31) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 49 LYS NZ :NH3+ -155:sc= 2.47 (180deg=1.65) USER MOD Single : A 53 THR OG1 : rot -56:sc= 0.737 USER MOD Single : A 55 GLN : amide:sc= 0.783 K(o=0.78,f=-0.016) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -141:sc= -0.141 (180deg=-2.32!) USER MOD Single : A 79 MET CE :methyl -170:sc= 0 (180deg=-0.0955) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 30:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 162:sc= 1.25 (180deg=1.2) USER MOD Single : A 90 ASN : amide:sc= 0.917 K(o=0.92,f=-3.3!) USER MOD Single : A 91 LYS NZ :NH3+ -166:sc= 2.43 (180deg=2.28) USER MOD Single : A 93 SER OG : rot -148:sc= 1.26 USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 ASN : amide:sc= 1.15 K(o=1.1,f=-6.2!) USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.719 23.486 8.207 1.00 0.00 N ATOM 2 CA GLY A 1 0.312 22.072 8.046 1.00 0.00 C ATOM 3 C GLY A 1 1.176 21.145 8.887 1.00 0.00 C ATOM 4 O GLY A 1 2.366 21.406 9.079 1.00 0.00 O ATOM 0 H1 GLY A 1 0.086 23.954 8.886 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.697 23.528 8.559 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.661 23.971 7.289 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -0.733 21.958 8.334 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.386 21.788 6.996 1.00 0.00 H new ATOM 10 N SER A 2 0.600 20.042 9.377 1.00 0.00 N ATOM 11 CA SER A 2 1.224 19.124 10.356 1.00 0.00 C ATOM 12 C SER A 2 2.535 18.474 9.888 1.00 0.00 C ATOM 13 O SER A 2 3.373 18.109 10.715 1.00 0.00 O ATOM 14 CB SER A 2 0.231 18.015 10.730 1.00 0.00 C ATOM 15 OG SER A 2 -1.003 18.572 11.163 1.00 0.00 O ATOM 0 H SER A 2 -0.337 19.749 9.101 1.00 0.00 H new ATOM 0 HA SER A 2 1.479 19.747 11.213 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.061 17.366 9.870 1.00 0.00 H new ATOM 0 HB3 SER A 2 0.653 17.394 11.520 1.00 0.00 H new ATOM 0 HG SER A 2 -1.624 17.850 11.395 1.00 0.00 H new ATOM 21 N SER A 3 2.763 18.377 8.574 1.00 0.00 N ATOM 22 CA SER A 3 4.016 17.882 7.978 1.00 0.00 C ATOM 23 C SER A 3 5.248 18.724 8.356 1.00 0.00 C ATOM 24 O SER A 3 6.370 18.215 8.338 1.00 0.00 O ATOM 25 CB SER A 3 3.890 17.855 6.448 1.00 0.00 C ATOM 26 OG SER A 3 2.707 17.177 6.047 1.00 0.00 O ATOM 0 H SER A 3 2.069 18.645 7.877 1.00 0.00 H new ATOM 0 HA SER A 3 4.169 16.880 8.379 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.878 18.874 6.062 1.00 0.00 H new ATOM 0 HB3 SER A 3 4.761 17.361 6.016 1.00 0.00 H new ATOM 0 HG SER A 3 2.647 17.174 5.069 1.00 0.00 H new ATOM 32 N GLY A 4 5.055 19.999 8.723 1.00 0.00 N ATOM 33 CA GLY A 4 6.109 20.913 9.183 1.00 0.00 C ATOM 34 C GLY A 4 6.430 20.838 10.685 1.00 0.00 C ATOM 35 O GLY A 4 7.390 21.472 11.131 1.00 0.00 O ATOM 0 H GLY A 4 4.133 20.435 8.707 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.020 20.704 8.622 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.814 21.934 8.941 1.00 0.00 H new ATOM 39 N SER A 5 5.659 20.082 11.478 1.00 0.00 N ATOM 40 CA SER A 5 5.779 20.036 12.950 1.00 0.00 C ATOM 41 C SER A 5 6.941 19.173 13.474 1.00 0.00 C ATOM 42 O SER A 5 7.236 19.205 14.671 1.00 0.00 O ATOM 43 CB SER A 5 4.458 19.567 13.577 1.00 0.00 C ATOM 44 OG SER A 5 3.391 20.432 13.211 1.00 0.00 O ATOM 0 H SER A 5 4.923 19.476 11.115 1.00 0.00 H new ATOM 0 HA SER A 5 6.007 21.058 13.253 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.236 18.551 13.252 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.555 19.540 14.662 1.00 0.00 H new ATOM 0 HG SER A 5 2.558 20.115 13.619 1.00 0.00 H new ATOM 50 N SER A 6 7.613 18.410 12.604 1.00 0.00 N ATOM 51 CA SER A 6 8.808 17.609 12.921 1.00 0.00 C ATOM 52 C SER A 6 9.753 17.503 11.712 1.00 0.00 C ATOM 53 O SER A 6 9.325 17.652 10.563 1.00 0.00 O ATOM 54 CB SER A 6 8.388 16.214 13.403 1.00 0.00 C ATOM 55 OG SER A 6 9.493 15.543 13.989 1.00 0.00 O ATOM 0 H SER A 6 7.333 18.328 11.627 1.00 0.00 H new ATOM 0 HA SER A 6 9.354 18.113 13.718 1.00 0.00 H new ATOM 0 HB2 SER A 6 7.580 16.301 14.129 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.003 15.633 12.565 1.00 0.00 H new ATOM 0 HG SER A 6 9.212 14.655 14.294 1.00 0.00 H new ATOM 61 N GLY A 7 11.044 17.262 11.960 1.00 0.00 N ATOM 62 CA GLY A 7 12.075 17.145 10.919 1.00 0.00 C ATOM 63 C GLY A 7 12.021 15.822 10.126 1.00 0.00 C ATOM 64 O GLY A 7 11.531 14.812 10.646 1.00 0.00 O ATOM 0 H GLY A 7 11.410 17.140 12.904 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.970 17.978 10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.057 17.239 11.383 1.00 0.00 H new ATOM 68 N PRO A 8 12.531 15.796 8.878 1.00 0.00 N ATOM 69 CA PRO A 8 12.601 14.588 8.050 1.00 0.00 C ATOM 70 C PRO A 8 13.676 13.598 8.536 1.00 0.00 C ATOM 71 O PRO A 8 14.613 13.968 9.252 1.00 0.00 O ATOM 72 CB PRO A 8 12.896 15.099 6.635 1.00 0.00 C ATOM 73 CG PRO A 8 13.730 16.354 6.890 1.00 0.00 C ATOM 74 CD PRO A 8 13.100 16.929 8.158 1.00 0.00 C ATOM 0 HA PRO A 8 11.672 14.021 8.097 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.444 14.363 6.046 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.980 15.327 6.089 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.784 16.117 7.034 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.672 17.054 6.057 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.846 17.442 8.765 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.330 17.661 7.913 1.00 0.00 H new ATOM 82 N ILE A 9 13.564 12.334 8.111 1.00 0.00 N ATOM 83 CA ILE A 9 14.542 11.264 8.381 1.00 0.00 C ATOM 84 C ILE A 9 14.644 10.286 7.197 1.00 0.00 C ATOM 85 O ILE A 9 13.660 10.030 6.497 1.00 0.00 O ATOM 86 CB ILE A 9 14.203 10.552 9.719 1.00 0.00 C ATOM 87 CG1 ILE A 9 15.316 9.627 10.261 1.00 0.00 C ATOM 88 CG2 ILE A 9 12.888 9.754 9.648 1.00 0.00 C ATOM 89 CD1 ILE A 9 16.649 10.337 10.527 1.00 0.00 C ATOM 0 H ILE A 9 12.771 12.015 7.555 1.00 0.00 H new ATOM 0 HA ILE A 9 15.530 11.710 8.491 1.00 0.00 H new ATOM 0 HB ILE A 9 14.097 11.380 10.420 1.00 0.00 H new ATOM 0 HG12 ILE A 9 14.971 9.166 11.187 1.00 0.00 H new ATOM 0 HG13 ILE A 9 15.483 8.821 9.547 1.00 0.00 H new ATOM 0 HG21 ILE A 9 12.700 9.277 10.610 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.065 10.429 9.410 1.00 0.00 H new ATOM 0 HG23 ILE A 9 12.967 8.991 8.874 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.375 9.618 10.905 1.00 0.00 H new ATOM 0 HD12 ILE A 9 17.020 10.774 9.600 1.00 0.00 H new ATOM 0 HD13 ILE A 9 16.501 11.125 11.265 1.00 0.00 H new ATOM 101 N SER A 10 15.832 9.718 6.977 1.00 0.00 N ATOM 102 CA SER A 10 16.090 8.739 5.906 1.00 0.00 C ATOM 103 C SER A 10 15.470 7.360 6.179 1.00 0.00 C ATOM 104 O SER A 10 15.188 6.614 5.241 1.00 0.00 O ATOM 105 CB SER A 10 17.601 8.576 5.697 1.00 0.00 C ATOM 106 OG SER A 10 18.211 9.835 5.444 1.00 0.00 O ATOM 0 H SER A 10 16.656 9.924 7.542 1.00 0.00 H new ATOM 0 HA SER A 10 15.615 9.136 5.009 1.00 0.00 H new ATOM 0 HB2 SER A 10 18.048 8.120 6.580 1.00 0.00 H new ATOM 0 HB3 SER A 10 17.787 7.901 4.861 1.00 0.00 H new ATOM 0 HG SER A 10 19.175 9.712 5.315 1.00 0.00 H new ATOM 112 N GLU A 11 15.211 7.021 7.445 1.00 0.00 N ATOM 113 CA GLU A 11 14.769 5.691 7.889 1.00 0.00 C ATOM 114 C GLU A 11 13.387 5.285 7.329 1.00 0.00 C ATOM 115 O GLU A 11 12.429 6.062 7.377 1.00 0.00 O ATOM 116 CB GLU A 11 14.796 5.658 9.427 1.00 0.00 C ATOM 117 CG GLU A 11 14.501 4.269 10.007 1.00 0.00 C ATOM 118 CD GLU A 11 14.722 4.249 11.532 1.00 0.00 C ATOM 119 OE1 GLU A 11 15.842 3.901 11.983 1.00 0.00 O ATOM 120 OE2 GLU A 11 13.779 4.575 12.294 1.00 0.00 O ATOM 0 H GLU A 11 15.305 7.683 8.215 1.00 0.00 H new ATOM 0 HA GLU A 11 15.459 4.948 7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 11 15.775 5.989 9.774 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.064 6.368 9.812 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.472 3.988 9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.145 3.529 9.533 1.00 0.00 H new ATOM 127 N ARG A 12 13.287 4.050 6.814 1.00 0.00 N ATOM 128 CA ARG A 12 12.046 3.429 6.308 1.00 0.00 C ATOM 129 C ARG A 12 11.296 2.696 7.430 1.00 0.00 C ATOM 130 O ARG A 12 11.935 2.192 8.358 1.00 0.00 O ATOM 131 CB ARG A 12 12.367 2.460 5.153 1.00 0.00 C ATOM 132 CG ARG A 12 13.186 3.032 3.978 1.00 0.00 C ATOM 133 CD ARG A 12 12.519 4.208 3.253 1.00 0.00 C ATOM 134 NE ARG A 12 12.822 5.508 3.883 1.00 0.00 N ATOM 135 CZ ARG A 12 12.053 6.579 3.929 1.00 0.00 C ATOM 136 NH1 ARG A 12 10.830 6.603 3.485 1.00 0.00 N ATOM 137 NH2 ARG A 12 12.529 7.679 4.431 1.00 0.00 N ATOM 0 H ARG A 12 14.094 3.432 6.734 1.00 0.00 H new ATOM 0 HA ARG A 12 11.398 4.222 5.934 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.910 1.609 5.564 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.426 2.078 4.758 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.157 3.355 4.352 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.371 2.235 3.258 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.851 4.225 2.215 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.440 4.057 3.240 1.00 0.00 H new ATOM 0 HE ARG A 12 13.733 5.588 4.336 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.420 5.764 3.075 1.00 0.00 H new ATOM 0 HH12 ARG A 12 10.282 7.461 3.547 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.486 7.707 4.783 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.946 8.515 4.473 1.00 0.00 H new ATOM 151 N ASN A 13 9.965 2.597 7.355 1.00 0.00 N ATOM 152 CA ASN A 13 9.142 2.001 8.421 1.00 0.00 C ATOM 153 C ASN A 13 7.982 1.123 7.896 1.00 0.00 C ATOM 154 O ASN A 13 7.190 1.555 7.060 1.00 0.00 O ATOM 155 CB ASN A 13 8.643 3.142 9.325 1.00 0.00 C ATOM 156 CG ASN A 13 7.843 2.619 10.500 1.00 0.00 C ATOM 157 OD1 ASN A 13 6.657 2.355 10.390 1.00 0.00 O ATOM 158 ND2 ASN A 13 8.464 2.383 11.631 1.00 0.00 N ATOM 0 H ASN A 13 9.425 2.927 6.555 1.00 0.00 H new ATOM 0 HA ASN A 13 9.760 1.308 8.991 1.00 0.00 H new ATOM 0 HB2 ASN A 13 9.495 3.715 9.691 1.00 0.00 H new ATOM 0 HB3 ASN A 13 8.027 3.826 8.741 1.00 0.00 H new ATOM 0 HD21 ASN A 13 7.955 1.979 12.417 1.00 0.00 H new ATOM 0 HD22 ASN A 13 9.456 2.603 11.724 1.00 0.00 H new ATOM 165 N GLN A 14 7.840 -0.097 8.433 1.00 0.00 N ATOM 166 CA GLN A 14 6.849 -1.095 7.986 1.00 0.00 C ATOM 167 C GLN A 14 5.420 -0.899 8.533 1.00 0.00 C ATOM 168 O GLN A 14 4.499 -1.544 8.040 1.00 0.00 O ATOM 169 CB GLN A 14 7.358 -2.512 8.306 1.00 0.00 C ATOM 170 CG GLN A 14 8.449 -2.978 7.331 1.00 0.00 C ATOM 171 CD GLN A 14 8.935 -4.391 7.655 1.00 0.00 C ATOM 172 OE1 GLN A 14 10.022 -4.597 8.179 1.00 0.00 O ATOM 173 NE2 GLN A 14 8.161 -5.420 7.373 1.00 0.00 N ATOM 0 H GLN A 14 8.420 -0.427 9.205 1.00 0.00 H new ATOM 0 HA GLN A 14 6.755 -0.949 6.910 1.00 0.00 H new ATOM 0 HB2 GLN A 14 7.751 -2.533 9.323 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.522 -3.211 8.273 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.062 -2.952 6.313 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.291 -2.286 7.370 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.252 -5.270 6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.471 -6.367 7.592 1.00 0.00 H new ATOM 182 N ASP A 15 5.198 -0.016 9.511 1.00 0.00 N ATOM 183 CA ASP A 15 3.848 0.355 9.968 1.00 0.00 C ATOM 184 C ASP A 15 3.312 1.585 9.215 1.00 0.00 C ATOM 185 O ASP A 15 2.121 1.657 8.911 1.00 0.00 O ATOM 186 CB ASP A 15 3.842 0.578 11.485 1.00 0.00 C ATOM 187 CG ASP A 15 4.152 -0.713 12.258 1.00 0.00 C ATOM 188 OD1 ASP A 15 5.206 -0.782 12.935 1.00 0.00 O ATOM 189 OD2 ASP A 15 3.332 -1.661 12.194 1.00 0.00 O ATOM 0 H ASP A 15 5.947 0.464 10.011 1.00 0.00 H new ATOM 0 HA ASP A 15 3.175 -0.472 9.742 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.578 1.340 11.742 1.00 0.00 H new ATOM 0 HB3 ASP A 15 2.868 0.959 11.792 1.00 0.00 H new ATOM 194 N ALA A 16 4.193 2.524 8.853 1.00 0.00 N ATOM 195 CA ALA A 16 3.892 3.636 7.949 1.00 0.00 C ATOM 196 C ALA A 16 3.868 3.211 6.462 1.00 0.00 C ATOM 197 O ALA A 16 3.362 3.950 5.617 1.00 0.00 O ATOM 198 CB ALA A 16 4.895 4.761 8.215 1.00 0.00 C ATOM 0 H ALA A 16 5.156 2.531 9.189 1.00 0.00 H new ATOM 0 HA ALA A 16 2.882 3.993 8.152 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.686 5.599 7.550 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.808 5.089 9.251 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.906 4.397 8.034 1.00 0.00 H new ATOM 204 N THR A 17 4.380 2.021 6.132 1.00 0.00 N ATOM 205 CA THR A 17 4.225 1.387 4.813 1.00 0.00 C ATOM 206 C THR A 17 3.032 0.432 4.829 1.00 0.00 C ATOM 207 O THR A 17 2.861 -0.352 5.763 1.00 0.00 O ATOM 208 CB THR A 17 5.511 0.682 4.338 1.00 0.00 C ATOM 209 OG1 THR A 17 6.604 1.564 4.396 1.00 0.00 O ATOM 210 CG2 THR A 17 5.455 0.217 2.881 1.00 0.00 C ATOM 0 H THR A 17 4.925 1.458 6.785 1.00 0.00 H new ATOM 0 HA THR A 17 4.032 2.177 4.087 1.00 0.00 H new ATOM 0 HB THR A 17 5.614 -0.177 5.001 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.869 1.696 5.330 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.394 -0.270 2.618 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.633 -0.488 2.755 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.298 1.077 2.230 1.00 0.00 H new ATOM 218 N VAL A 18 2.211 0.469 3.781 1.00 0.00 N ATOM 219 CA VAL A 18 1.138 -0.502 3.522 1.00 0.00 C ATOM 220 C VAL A 18 1.572 -1.478 2.430 1.00 0.00 C ATOM 221 O VAL A 18 2.303 -1.103 1.514 1.00 0.00 O ATOM 222 CB VAL A 18 -0.215 0.170 3.194 1.00 0.00 C ATOM 223 CG1 VAL A 18 -0.557 1.261 4.213 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.276 0.814 1.808 1.00 0.00 C ATOM 0 H VAL A 18 2.272 1.194 3.066 1.00 0.00 H new ATOM 0 HA VAL A 18 0.968 -1.061 4.442 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.933 -0.650 3.228 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.514 1.714 3.954 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.621 0.822 5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.220 2.025 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.258 1.262 1.658 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.490 1.585 1.731 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.104 0.054 1.046 1.00 0.00 H new ATOM 234 N TYR A 19 1.103 -2.716 2.517 1.00 0.00 N ATOM 235 CA TYR A 19 1.207 -3.754 1.493 1.00 0.00 C ATOM 236 C TYR A 19 -0.073 -3.761 0.647 1.00 0.00 C ATOM 237 O TYR A 19 -1.168 -3.591 1.186 1.00 0.00 O ATOM 238 CB TYR A 19 1.421 -5.109 2.185 1.00 0.00 C ATOM 239 CG TYR A 19 1.184 -6.325 1.303 1.00 0.00 C ATOM 240 CD1 TYR A 19 2.222 -6.837 0.500 1.00 0.00 C ATOM 241 CD2 TYR A 19 -0.086 -6.939 1.282 1.00 0.00 C ATOM 242 CE1 TYR A 19 2.001 -7.973 -0.302 1.00 0.00 C ATOM 243 CE2 TYR A 19 -0.314 -8.065 0.469 1.00 0.00 C ATOM 244 CZ TYR A 19 0.731 -8.590 -0.322 1.00 0.00 C ATOM 245 OH TYR A 19 0.509 -9.689 -1.094 1.00 0.00 O ATOM 0 H TYR A 19 0.612 -3.043 3.349 1.00 0.00 H new ATOM 0 HA TYR A 19 2.052 -3.560 0.832 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.442 -5.148 2.566 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.757 -5.169 3.047 1.00 0.00 H new ATOM 0 HD1 TYR A 19 3.190 -6.357 0.500 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.885 -6.544 1.891 1.00 0.00 H new ATOM 0 HE1 TYR A 19 2.804 -8.373 -0.903 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.290 -8.528 0.450 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.420 -9.983 -0.985 1.00 0.00 H new ATOM 255 N VAL A 20 0.065 -3.988 -0.661 1.00 0.00 N ATOM 256 CA VAL A 20 -1.032 -4.111 -1.630 1.00 0.00 C ATOM 257 C VAL A 20 -0.802 -5.354 -2.494 1.00 0.00 C ATOM 258 O VAL A 20 0.074 -5.355 -3.358 1.00 0.00 O ATOM 259 CB VAL A 20 -1.148 -2.855 -2.521 1.00 0.00 C ATOM 260 CG1 VAL A 20 -2.412 -2.953 -3.385 1.00 0.00 C ATOM 261 CG2 VAL A 20 -1.214 -1.547 -1.722 1.00 0.00 C ATOM 0 H VAL A 20 0.982 -4.096 -1.095 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.969 -4.208 -1.081 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.245 -2.827 -3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.493 -2.066 -4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.354 -3.840 -4.015 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.289 -3.022 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.295 -0.705 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.084 -1.565 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.310 -1.441 -1.122 1.00 0.00 H new ATOM 271 N GLY A 21 -1.581 -6.412 -2.281 1.00 0.00 N ATOM 272 CA GLY A 21 -1.522 -7.656 -3.057 1.00 0.00 C ATOM 273 C GLY A 21 -2.664 -7.778 -4.066 1.00 0.00 C ATOM 274 O GLY A 21 -3.784 -7.354 -3.786 1.00 0.00 O ATOM 0 H GLY A 21 -2.289 -6.432 -1.547 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.570 -7.705 -3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.553 -8.506 -2.375 1.00 0.00 H new ATOM 278 N GLY A 22 -2.396 -8.385 -5.224 1.00 0.00 N ATOM 279 CA GLY A 22 -3.398 -8.678 -6.264 1.00 0.00 C ATOM 280 C GLY A 22 -3.463 -7.626 -7.378 1.00 0.00 C ATOM 281 O GLY A 22 -4.535 -7.353 -7.920 1.00 0.00 O ATOM 0 H GLY A 22 -1.457 -8.695 -5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.175 -9.649 -6.707 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.379 -8.759 -5.797 1.00 0.00 H new ATOM 285 N LEU A 23 -2.324 -7.006 -7.694 1.00 0.00 N ATOM 286 CA LEU A 23 -2.193 -5.918 -8.660 1.00 0.00 C ATOM 287 C LEU A 23 -2.308 -6.433 -10.097 1.00 0.00 C ATOM 288 O LEU A 23 -1.829 -7.522 -10.425 1.00 0.00 O ATOM 289 CB LEU A 23 -0.839 -5.213 -8.459 1.00 0.00 C ATOM 290 CG LEU A 23 -0.634 -4.561 -7.083 1.00 0.00 C ATOM 291 CD1 LEU A 23 0.732 -3.886 -7.051 1.00 0.00 C ATOM 292 CD2 LEU A 23 -1.708 -3.522 -6.772 1.00 0.00 C ATOM 0 H LEU A 23 -1.434 -7.260 -7.266 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.005 -5.210 -8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.043 -5.940 -8.620 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.731 -4.446 -9.226 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.701 -5.346 -6.330 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.885 -3.421 -6.077 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.510 -4.630 -7.224 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.780 -3.124 -7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.521 -3.089 -5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.683 -2.736 -7.526 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.688 -3.999 -6.778 1.00 0.00 H new ATOM 304 N ASP A 24 -2.896 -5.619 -10.971 1.00 0.00 N ATOM 305 CA ASP A 24 -2.988 -5.913 -12.401 1.00 0.00 C ATOM 306 C ASP A 24 -1.728 -5.476 -13.175 1.00 0.00 C ATOM 307 O ASP A 24 -1.001 -4.581 -12.746 1.00 0.00 O ATOM 308 CB ASP A 24 -4.257 -5.261 -12.966 1.00 0.00 C ATOM 309 CG ASP A 24 -4.460 -5.659 -14.426 1.00 0.00 C ATOM 310 OD1 ASP A 24 -4.244 -4.803 -15.314 1.00 0.00 O ATOM 311 OD2 ASP A 24 -4.754 -6.850 -14.674 1.00 0.00 O ATOM 0 H ASP A 24 -3.325 -4.732 -10.707 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.051 -6.994 -12.529 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.122 -5.565 -12.377 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.182 -4.177 -12.886 1.00 0.00 H new ATOM 316 N GLU A 25 -1.474 -6.057 -14.351 1.00 0.00 N ATOM 317 CA GLU A 25 -0.330 -5.707 -15.211 1.00 0.00 C ATOM 318 C GLU A 25 -0.287 -4.225 -15.647 1.00 0.00 C ATOM 319 O GLU A 25 0.789 -3.718 -15.979 1.00 0.00 O ATOM 320 CB GLU A 25 -0.283 -6.649 -16.428 1.00 0.00 C ATOM 321 CG GLU A 25 -1.483 -6.516 -17.379 1.00 0.00 C ATOM 322 CD GLU A 25 -1.351 -7.490 -18.566 1.00 0.00 C ATOM 323 OE1 GLU A 25 -1.791 -8.660 -18.451 1.00 0.00 O ATOM 324 OE2 GLU A 25 -0.810 -7.092 -19.627 1.00 0.00 O ATOM 0 H GLU A 25 -2.062 -6.793 -14.741 1.00 0.00 H new ATOM 0 HA GLU A 25 0.564 -5.843 -14.602 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.632 -6.455 -16.988 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.228 -7.678 -16.074 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.407 -6.719 -16.837 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.549 -5.492 -17.748 1.00 0.00 H new ATOM 331 N LYS A 26 -1.422 -3.507 -15.604 1.00 0.00 N ATOM 332 CA LYS A 26 -1.506 -2.058 -15.871 1.00 0.00 C ATOM 333 C LYS A 26 -1.079 -1.168 -14.688 1.00 0.00 C ATOM 334 O LYS A 26 -0.887 0.035 -14.876 1.00 0.00 O ATOM 335 CB LYS A 26 -2.926 -1.715 -16.354 1.00 0.00 C ATOM 336 CG LYS A 26 -3.229 -2.372 -17.713 1.00 0.00 C ATOM 337 CD LYS A 26 -4.595 -1.970 -18.289 1.00 0.00 C ATOM 338 CE LYS A 26 -5.804 -2.386 -17.438 1.00 0.00 C ATOM 339 NZ LYS A 26 -5.911 -3.861 -17.287 1.00 0.00 N ATOM 0 H LYS A 26 -2.325 -3.924 -15.378 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.780 -1.835 -16.653 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.654 -2.050 -15.615 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.032 -0.634 -16.439 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.448 -2.099 -18.423 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.194 -3.456 -17.601 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.615 -0.888 -18.417 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -4.699 -2.410 -19.281 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.726 -1.927 -16.452 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -6.716 -2.003 -17.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.911 -4.143 -17.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.382 -4.327 -18.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -5.515 -4.146 -16.368 1.00 0.00 H new ATOM 353 N VAL A 27 -0.907 -1.725 -13.485 1.00 0.00 N ATOM 354 CA VAL A 27 -0.462 -0.996 -12.279 1.00 0.00 C ATOM 355 C VAL A 27 1.039 -0.672 -12.338 1.00 0.00 C ATOM 356 O VAL A 27 1.843 -1.490 -12.791 1.00 0.00 O ATOM 357 CB VAL A 27 -0.807 -1.780 -10.994 1.00 0.00 C ATOM 358 CG1 VAL A 27 -0.349 -1.054 -9.726 1.00 0.00 C ATOM 359 CG2 VAL A 27 -2.323 -2.011 -10.870 1.00 0.00 C ATOM 0 H VAL A 27 -1.075 -2.716 -13.312 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.003 -0.050 -12.252 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.279 -2.729 -11.081 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.615 -1.647 -8.851 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.732 -0.916 -9.756 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.837 -0.081 -9.667 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.533 -2.565 -9.955 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.836 -1.050 -10.838 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.676 -2.582 -11.729 1.00 0.00 H new ATOM 369 N SER A 28 1.421 0.507 -11.837 1.00 0.00 N ATOM 370 CA SER A 28 2.814 0.958 -11.684 1.00 0.00 C ATOM 371 C SER A 28 3.044 1.665 -10.340 1.00 0.00 C ATOM 372 O SER A 28 2.095 2.108 -9.691 1.00 0.00 O ATOM 373 CB SER A 28 3.179 1.887 -12.849 1.00 0.00 C ATOM 374 OG SER A 28 2.442 3.100 -12.777 1.00 0.00 O ATOM 0 H SER A 28 0.747 1.201 -11.514 1.00 0.00 H new ATOM 0 HA SER A 28 3.460 0.080 -11.698 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.247 2.103 -12.827 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.975 1.388 -13.796 1.00 0.00 H new ATOM 0 HG SER A 28 2.691 3.679 -13.528 1.00 0.00 H new ATOM 380 N GLU A 29 4.302 1.817 -9.912 1.00 0.00 N ATOM 381 CA GLU A 29 4.634 2.544 -8.674 1.00 0.00 C ATOM 382 C GLU A 29 4.129 4.007 -8.679 1.00 0.00 C ATOM 383 O GLU A 29 3.492 4.407 -7.699 1.00 0.00 O ATOM 384 CB GLU A 29 6.153 2.469 -8.410 1.00 0.00 C ATOM 385 CG GLU A 29 6.559 1.190 -7.665 1.00 0.00 C ATOM 386 CD GLU A 29 7.849 0.551 -8.218 1.00 0.00 C ATOM 387 OE1 GLU A 29 8.781 0.275 -7.427 1.00 0.00 O ATOM 388 OE2 GLU A 29 7.916 0.246 -9.434 1.00 0.00 O ATOM 0 H GLU A 29 5.114 1.445 -10.405 1.00 0.00 H new ATOM 0 HA GLU A 29 4.108 2.053 -7.856 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.686 2.517 -9.360 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.460 3.338 -7.828 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.699 1.421 -6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.746 0.466 -7.728 1.00 0.00 H new ATOM 395 N PRO A 30 4.287 4.795 -9.769 1.00 0.00 N ATOM 396 CA PRO A 30 3.667 6.117 -9.882 1.00 0.00 C ATOM 397 C PRO A 30 2.136 6.107 -9.776 1.00 0.00 C ATOM 398 O PRO A 30 1.572 7.062 -9.235 1.00 0.00 O ATOM 399 CB PRO A 30 4.114 6.675 -11.238 1.00 0.00 C ATOM 400 CG PRO A 30 5.450 5.980 -11.473 1.00 0.00 C ATOM 401 CD PRO A 30 5.199 4.594 -10.888 1.00 0.00 C ATOM 0 HA PRO A 30 3.988 6.736 -9.044 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.396 6.445 -12.025 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.222 7.759 -11.212 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.705 5.935 -12.532 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.270 6.492 -10.969 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.763 3.928 -11.633 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.130 4.135 -10.556 1.00 0.00 H new ATOM 409 N LEU A 31 1.453 5.041 -10.228 1.00 0.00 N ATOM 410 CA LEU A 31 0.006 4.914 -10.039 1.00 0.00 C ATOM 411 C LEU A 31 -0.307 4.773 -8.554 1.00 0.00 C ATOM 412 O LEU A 31 -1.096 5.555 -8.032 1.00 0.00 O ATOM 413 CB LEU A 31 -0.574 3.720 -10.817 1.00 0.00 C ATOM 414 CG LEU A 31 -2.108 3.599 -10.674 1.00 0.00 C ATOM 415 CD1 LEU A 31 -2.818 4.644 -11.527 1.00 0.00 C ATOM 416 CD2 LEU A 31 -2.541 2.212 -11.132 1.00 0.00 C ATOM 0 H LEU A 31 1.882 4.260 -10.724 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.462 5.817 -10.431 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.319 3.821 -11.872 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.107 2.801 -10.463 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.374 3.760 -9.629 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.896 4.538 -11.409 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.514 5.641 -11.208 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.552 4.501 -12.574 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.623 2.118 -11.034 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.257 2.068 -12.174 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.054 1.457 -10.515 1.00 0.00 H new ATOM 428 N LEU A 32 0.324 3.810 -7.872 1.00 0.00 N ATOM 429 CA LEU A 32 0.083 3.570 -6.447 1.00 0.00 C ATOM 430 C LEU A 32 0.312 4.834 -5.621 1.00 0.00 C ATOM 431 O LEU A 32 -0.507 5.154 -4.769 1.00 0.00 O ATOM 432 CB LEU A 32 0.973 2.441 -5.903 1.00 0.00 C ATOM 433 CG LEU A 32 0.794 1.067 -6.557 1.00 0.00 C ATOM 434 CD1 LEU A 32 1.510 0.005 -5.727 1.00 0.00 C ATOM 435 CD2 LEU A 32 -0.674 0.656 -6.643 1.00 0.00 C ATOM 0 H LEU A 32 1.010 3.181 -8.289 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.961 3.270 -6.356 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.015 2.741 -6.015 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.784 2.340 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 32 1.207 1.142 -7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.381 -0.971 -6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.572 0.242 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.089 -0.016 -4.722 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.750 -0.324 -7.114 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.099 0.611 -5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.222 1.387 -7.237 1.00 0.00 H new ATOM 447 N TRP A 33 1.372 5.588 -5.913 1.00 0.00 N ATOM 448 CA TRP A 33 1.673 6.843 -5.231 1.00 0.00 C ATOM 449 C TRP A 33 0.511 7.834 -5.357 1.00 0.00 C ATOM 450 O TRP A 33 -0.115 8.192 -4.360 1.00 0.00 O ATOM 451 CB TRP A 33 2.976 7.417 -5.800 1.00 0.00 C ATOM 452 CG TRP A 33 3.662 8.483 -5.001 1.00 0.00 C ATOM 453 CD1 TRP A 33 3.099 9.538 -4.366 1.00 0.00 C ATOM 454 CD2 TRP A 33 5.092 8.600 -4.760 1.00 0.00 C ATOM 455 NE1 TRP A 33 4.082 10.275 -3.727 1.00 0.00 N ATOM 456 CE2 TRP A 33 5.334 9.739 -3.940 1.00 0.00 C ATOM 457 CE3 TRP A 33 6.207 7.843 -5.170 1.00 0.00 C ATOM 458 CZ2 TRP A 33 6.626 10.103 -3.532 1.00 0.00 C ATOM 459 CZ3 TRP A 33 7.510 8.197 -4.769 1.00 0.00 C ATOM 460 CH2 TRP A 33 7.720 9.324 -3.952 1.00 0.00 C ATOM 0 H TRP A 33 2.049 5.342 -6.635 1.00 0.00 H new ATOM 0 HA TRP A 33 1.806 6.656 -4.165 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.677 6.593 -5.936 1.00 0.00 H new ATOM 0 HB3 TRP A 33 2.763 7.821 -6.790 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.044 9.769 -4.359 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.902 11.110 -3.169 1.00 0.00 H new ATOM 0 HE3 TRP A 33 6.061 6.979 -5.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 6.779 10.969 -2.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 8.352 7.601 -5.090 1.00 0.00 H new ATOM 0 HH2 TRP A 33 8.721 9.591 -3.647 1.00 0.00 H new ATOM 471 N GLU A 34 0.187 8.241 -6.584 1.00 0.00 N ATOM 472 CA GLU A 34 -0.855 9.243 -6.856 1.00 0.00 C ATOM 473 C GLU A 34 -2.273 8.789 -6.466 1.00 0.00 C ATOM 474 O GLU A 34 -3.098 9.615 -6.072 1.00 0.00 O ATOM 475 CB GLU A 34 -0.822 9.636 -8.340 1.00 0.00 C ATOM 476 CG GLU A 34 0.458 10.402 -8.685 1.00 0.00 C ATOM 477 CD GLU A 34 0.362 11.054 -10.078 1.00 0.00 C ATOM 478 OE1 GLU A 34 0.746 10.417 -11.089 1.00 0.00 O ATOM 479 OE2 GLU A 34 -0.094 12.221 -10.174 1.00 0.00 O ATOM 0 H GLU A 34 0.640 7.885 -7.426 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.627 10.102 -6.226 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.890 8.740 -8.957 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.691 10.251 -8.575 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.638 11.170 -7.933 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.310 9.722 -8.657 1.00 0.00 H new ATOM 486 N LEU A 35 -2.555 7.486 -6.525 1.00 0.00 N ATOM 487 CA LEU A 35 -3.833 6.901 -6.106 1.00 0.00 C ATOM 488 C LEU A 35 -4.003 6.933 -4.575 1.00 0.00 C ATOM 489 O LEU A 35 -5.105 7.178 -4.086 1.00 0.00 O ATOM 490 CB LEU A 35 -3.927 5.457 -6.645 1.00 0.00 C ATOM 491 CG LEU A 35 -5.353 4.891 -6.706 1.00 0.00 C ATOM 492 CD1 LEU A 35 -6.115 5.399 -7.931 1.00 0.00 C ATOM 493 CD2 LEU A 35 -5.324 3.364 -6.734 1.00 0.00 C ATOM 0 H LEU A 35 -1.890 6.794 -6.871 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.644 7.498 -6.522 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.495 5.427 -7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.319 4.808 -6.016 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.870 5.235 -5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.119 4.975 -7.937 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.180 6.486 -7.894 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.589 5.098 -8.837 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.344 2.981 -6.777 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.772 3.027 -7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.835 2.993 -5.833 1.00 0.00 H new ATOM 505 N PHE A 36 -2.928 6.715 -3.811 1.00 0.00 N ATOM 506 CA PHE A 36 -2.944 6.626 -2.345 1.00 0.00 C ATOM 507 C PHE A 36 -2.786 7.989 -1.647 1.00 0.00 C ATOM 508 O PHE A 36 -3.081 8.095 -0.456 1.00 0.00 O ATOM 509 CB PHE A 36 -1.903 5.594 -1.885 1.00 0.00 C ATOM 510 CG PHE A 36 -2.367 4.139 -1.917 1.00 0.00 C ATOM 511 CD1 PHE A 36 -2.499 3.413 -0.716 1.00 0.00 C ATOM 512 CD2 PHE A 36 -2.656 3.493 -3.135 1.00 0.00 C ATOM 513 CE1 PHE A 36 -2.942 2.078 -0.731 1.00 0.00 C ATOM 514 CE2 PHE A 36 -3.070 2.149 -3.157 1.00 0.00 C ATOM 515 CZ PHE A 36 -3.230 1.445 -1.952 1.00 0.00 C ATOM 0 H PHE A 36 -1.995 6.592 -4.205 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.932 6.283 -2.039 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.018 5.690 -2.514 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.598 5.839 -0.867 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.258 3.886 0.224 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.558 4.036 -4.063 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.061 1.539 0.197 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.265 1.659 -4.099 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.573 0.421 -1.964 1.00 0.00 H new ATOM 525 N LEU A 37 -2.440 9.054 -2.384 1.00 0.00 N ATOM 526 CA LEU A 37 -2.474 10.448 -1.901 1.00 0.00 C ATOM 527 C LEU A 37 -3.841 10.875 -1.321 1.00 0.00 C ATOM 528 O LEU A 37 -3.918 11.807 -0.518 1.00 0.00 O ATOM 529 CB LEU A 37 -2.098 11.395 -3.056 1.00 0.00 C ATOM 530 CG LEU A 37 -0.602 11.496 -3.399 1.00 0.00 C ATOM 531 CD1 LEU A 37 -0.399 12.508 -4.526 1.00 0.00 C ATOM 532 CD2 LEU A 37 0.240 11.943 -2.207 1.00 0.00 C ATOM 0 H LEU A 37 -2.123 8.973 -3.350 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.755 10.510 -1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.632 11.073 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.460 12.393 -2.811 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.279 10.499 -3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.662 12.577 -4.766 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.951 12.185 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.763 13.485 -4.208 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.288 11.998 -2.502 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.095 12.925 -1.873 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.129 11.226 -1.394 1.00 0.00 H new ATOM 544 N GLN A 38 -4.915 10.180 -1.703 1.00 0.00 N ATOM 545 CA GLN A 38 -6.277 10.365 -1.177 1.00 0.00 C ATOM 546 C GLN A 38 -6.384 10.026 0.318 1.00 0.00 C ATOM 547 O GLN A 38 -7.189 10.625 1.035 1.00 0.00 O ATOM 548 CB GLN A 38 -7.264 9.477 -1.954 1.00 0.00 C ATOM 549 CG GLN A 38 -7.195 9.719 -3.464 1.00 0.00 C ATOM 550 CD GLN A 38 -8.219 8.884 -4.228 1.00 0.00 C ATOM 551 OE1 GLN A 38 -9.354 9.286 -4.453 1.00 0.00 O ATOM 552 NE2 GLN A 38 -7.864 7.688 -4.643 1.00 0.00 N ATOM 0 H GLN A 38 -4.863 9.447 -2.411 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.522 11.420 -1.303 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.049 8.429 -1.746 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.278 9.670 -1.603 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.365 10.776 -3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.194 9.481 -3.823 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.921 7.344 -4.461 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.531 7.104 -5.147 1.00 0.00 H new ATOM 561 N ALA A 39 -5.571 9.076 0.792 1.00 0.00 N ATOM 562 CA ALA A 39 -5.508 8.698 2.202 1.00 0.00 C ATOM 563 C ALA A 39 -4.694 9.701 3.042 1.00 0.00 C ATOM 564 O ALA A 39 -5.128 10.118 4.117 1.00 0.00 O ATOM 565 CB ALA A 39 -4.896 7.302 2.301 1.00 0.00 C ATOM 0 H ALA A 39 -4.933 8.545 0.199 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.520 8.703 2.607 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.841 7.002 3.348 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.516 6.593 1.753 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.893 7.313 1.873 1.00 0.00 H new ATOM 571 N GLY A 40 -3.521 10.092 2.539 1.00 0.00 N ATOM 572 CA GLY A 40 -2.598 11.021 3.194 1.00 0.00 C ATOM 573 C GLY A 40 -1.313 11.259 2.386 1.00 0.00 C ATOM 574 O GLY A 40 -1.206 10.792 1.250 1.00 0.00 O ATOM 0 H GLY A 40 -3.177 9.761 1.638 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.102 11.974 3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.335 10.631 4.177 1.00 0.00 H new ATOM 578 N PRO A 41 -0.321 11.972 2.946 1.00 0.00 N ATOM 579 CA PRO A 41 0.937 12.285 2.267 1.00 0.00 C ATOM 580 C PRO A 41 1.790 11.027 2.041 1.00 0.00 C ATOM 581 O PRO A 41 2.335 10.444 2.983 1.00 0.00 O ATOM 582 CB PRO A 41 1.630 13.322 3.160 1.00 0.00 C ATOM 583 CG PRO A 41 1.075 13.020 4.552 1.00 0.00 C ATOM 584 CD PRO A 41 -0.357 12.578 4.265 1.00 0.00 C ATOM 0 HA PRO A 41 0.773 12.682 1.265 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.715 13.218 3.129 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.398 14.340 2.847 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.646 12.238 5.053 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.104 13.898 5.197 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.705 11.867 5.014 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.041 13.426 4.288 1.00 0.00 H new ATOM 592 N VAL A 42 1.921 10.624 0.773 1.00 0.00 N ATOM 593 CA VAL A 42 2.778 9.515 0.325 1.00 0.00 C ATOM 594 C VAL A 42 4.206 10.018 0.089 1.00 0.00 C ATOM 595 O VAL A 42 4.421 11.057 -0.540 1.00 0.00 O ATOM 596 CB VAL A 42 2.215 8.827 -0.935 1.00 0.00 C ATOM 597 CG1 VAL A 42 3.130 7.690 -1.410 1.00 0.00 C ATOM 598 CG2 VAL A 42 0.823 8.231 -0.689 1.00 0.00 C ATOM 0 H VAL A 42 1.420 11.072 0.006 1.00 0.00 H new ATOM 0 HA VAL A 42 2.796 8.763 1.114 1.00 0.00 H new ATOM 0 HB VAL A 42 2.154 9.605 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.703 7.227 -2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.116 8.091 -1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.222 6.943 -0.621 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.464 7.756 -1.602 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.880 7.489 0.107 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.134 9.024 -0.397 1.00 0.00 H new ATOM 608 N VAL A 43 5.177 9.262 0.596 1.00 0.00 N ATOM 609 CA VAL A 43 6.613 9.596 0.645 1.00 0.00 C ATOM 610 C VAL A 43 7.437 8.741 -0.326 1.00 0.00 C ATOM 611 O VAL A 43 8.449 9.203 -0.854 1.00 0.00 O ATOM 612 CB VAL A 43 7.149 9.387 2.082 1.00 0.00 C ATOM 613 CG1 VAL A 43 8.508 10.056 2.305 1.00 0.00 C ATOM 614 CG2 VAL A 43 6.214 9.944 3.158 1.00 0.00 C ATOM 0 H VAL A 43 4.981 8.350 1.008 1.00 0.00 H new ATOM 0 HA VAL A 43 6.715 10.640 0.347 1.00 0.00 H new ATOM 0 HB VAL A 43 7.230 8.304 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.837 9.878 3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.238 9.638 1.611 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.418 11.129 2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.646 9.766 4.143 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.083 11.016 3.007 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.246 9.447 3.091 1.00 0.00 H new ATOM 624 N ASN A 44 7.029 7.483 -0.524 1.00 0.00 N ATOM 625 CA ASN A 44 7.763 6.446 -1.256 1.00 0.00 C ATOM 626 C ASN A 44 6.813 5.303 -1.702 1.00 0.00 C ATOM 627 O ASN A 44 5.757 5.093 -1.103 1.00 0.00 O ATOM 628 CB ASN A 44 8.901 5.982 -0.315 1.00 0.00 C ATOM 629 CG ASN A 44 9.620 4.712 -0.729 1.00 0.00 C ATOM 630 OD1 ASN A 44 10.042 4.550 -1.865 1.00 0.00 O ATOM 631 ND2 ASN A 44 9.790 3.783 0.183 1.00 0.00 N ATOM 0 H ASN A 44 6.137 7.145 -0.162 1.00 0.00 H new ATOM 0 HA ASN A 44 8.191 6.819 -2.186 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.635 6.785 -0.239 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.486 5.834 0.682 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.277 2.919 -0.054 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.435 3.926 1.129 1.00 0.00 H new ATOM 638 N THR A 45 7.196 4.542 -2.731 1.00 0.00 N ATOM 639 CA THR A 45 6.503 3.334 -3.234 1.00 0.00 C ATOM 640 C THR A 45 7.500 2.242 -3.626 1.00 0.00 C ATOM 641 O THR A 45 8.623 2.545 -4.037 1.00 0.00 O ATOM 642 CB THR A 45 5.630 3.614 -4.473 1.00 0.00 C ATOM 643 OG1 THR A 45 6.293 4.451 -5.398 1.00 0.00 O ATOM 644 CG2 THR A 45 4.293 4.259 -4.133 1.00 0.00 C ATOM 0 H THR A 45 8.037 4.755 -3.267 1.00 0.00 H new ATOM 0 HA THR A 45 5.869 3.009 -2.409 1.00 0.00 H new ATOM 0 HB THR A 45 5.445 2.633 -4.911 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.713 4.607 -6.172 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.728 4.429 -5.049 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.728 3.599 -3.475 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.466 5.211 -3.631 1.00 0.00 H new ATOM 652 N HIS A 46 7.091 0.969 -3.556 1.00 0.00 N ATOM 653 CA HIS A 46 7.903 -0.168 -4.006 1.00 0.00 C ATOM 654 C HIS A 46 7.039 -1.244 -4.672 1.00 0.00 C ATOM 655 O HIS A 46 6.005 -1.615 -4.127 1.00 0.00 O ATOM 656 CB HIS A 46 8.669 -0.751 -2.806 1.00 0.00 C ATOM 657 CG HIS A 46 9.855 -1.578 -3.233 1.00 0.00 C ATOM 658 ND1 HIS A 46 9.799 -2.891 -3.709 1.00 0.00 N ATOM 659 CD2 HIS A 46 11.150 -1.151 -3.269 1.00 0.00 C ATOM 660 CE1 HIS A 46 11.064 -3.228 -4.013 1.00 0.00 C ATOM 661 NE2 HIS A 46 11.895 -2.203 -3.758 1.00 0.00 N ATOM 0 H HIS A 46 6.181 0.698 -3.183 1.00 0.00 H new ATOM 0 HA HIS A 46 8.613 0.184 -4.754 1.00 0.00 H new ATOM 0 HB2 HIS A 46 9.008 0.062 -2.164 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.994 -1.367 -2.211 1.00 0.00 H new ATOM 0 HD2 HIS A 46 11.519 -0.180 -2.973 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.369 -4.186 -4.406 1.00 0.00 H new ATOM 0 HE2 HIS A 46 12.905 -2.203 -3.902 1.00 0.00 H new ATOM 669 N MET A 47 7.444 -1.773 -5.825 1.00 0.00 N ATOM 670 CA MET A 47 6.834 -2.956 -6.452 1.00 0.00 C ATOM 671 C MET A 47 7.941 -3.917 -6.909 1.00 0.00 C ATOM 672 O MET A 47 8.610 -3.622 -7.904 1.00 0.00 O ATOM 673 CB MET A 47 5.924 -2.554 -7.627 1.00 0.00 C ATOM 674 CG MET A 47 4.586 -1.980 -7.142 1.00 0.00 C ATOM 675 SD MET A 47 3.535 -1.212 -8.403 1.00 0.00 S ATOM 676 CE MET A 47 3.278 -2.624 -9.494 1.00 0.00 C ATOM 0 H MET A 47 8.220 -1.388 -6.364 1.00 0.00 H new ATOM 0 HA MET A 47 6.206 -3.463 -5.720 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.434 -1.815 -8.245 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.739 -3.424 -8.257 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.021 -2.783 -6.669 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.792 -1.238 -6.371 1.00 0.00 H new ATOM 0 HE1 MET A 47 2.498 -2.387 -10.218 1.00 0.00 H new ATOM 0 HE2 MET A 47 4.205 -2.850 -10.021 1.00 0.00 H new ATOM 0 HE3 MET A 47 2.975 -3.489 -8.904 1.00 0.00 H new ATOM 686 N PRO A 48 8.161 -5.053 -6.220 1.00 0.00 N ATOM 687 CA PRO A 48 9.176 -6.038 -6.598 1.00 0.00 C ATOM 688 C PRO A 48 8.997 -6.578 -8.027 1.00 0.00 C ATOM 689 O PRO A 48 7.869 -6.794 -8.482 1.00 0.00 O ATOM 690 CB PRO A 48 9.088 -7.139 -5.536 1.00 0.00 C ATOM 691 CG PRO A 48 8.606 -6.374 -4.305 1.00 0.00 C ATOM 692 CD PRO A 48 7.612 -5.384 -4.910 1.00 0.00 C ATOM 0 HA PRO A 48 10.167 -5.585 -6.623 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.390 -7.925 -5.824 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.053 -7.616 -5.365 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.133 -7.032 -3.576 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.425 -5.868 -3.794 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.619 -5.825 -4.998 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.512 -4.495 -4.288 1.00 0.00 H new ATOM 700 N LYS A 49 10.115 -6.777 -8.742 1.00 0.00 N ATOM 701 CA LYS A 49 10.157 -7.150 -10.169 1.00 0.00 C ATOM 702 C LYS A 49 10.677 -8.574 -10.396 1.00 0.00 C ATOM 703 O LYS A 49 11.585 -9.044 -9.709 1.00 0.00 O ATOM 704 CB LYS A 49 10.999 -6.145 -10.982 1.00 0.00 C ATOM 705 CG LYS A 49 10.617 -4.658 -10.856 1.00 0.00 C ATOM 706 CD LYS A 49 9.150 -4.351 -11.206 1.00 0.00 C ATOM 707 CE LYS A 49 8.862 -2.845 -11.348 1.00 0.00 C ATOM 708 NZ LYS A 49 9.247 -2.072 -10.140 1.00 0.00 N ATOM 0 H LYS A 49 11.044 -6.680 -8.333 1.00 0.00 H new ATOM 0 HA LYS A 49 9.126 -7.120 -10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.041 -6.255 -10.683 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.938 -6.424 -12.034 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.811 -4.330 -9.835 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.265 -4.072 -11.508 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.893 -4.853 -12.139 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.504 -4.766 -10.432 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.402 -2.456 -12.211 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.800 -2.699 -11.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.682 -1.200 -10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.073 -2.646 -9.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.257 -1.827 -10.192 1.00 0.00 H new ATOM 722 N ASP A 50 10.124 -9.241 -11.405 1.00 0.00 N ATOM 723 CA ASP A 50 10.525 -10.566 -11.882 1.00 0.00 C ATOM 724 C ASP A 50 11.924 -10.564 -12.536 1.00 0.00 C ATOM 725 O ASP A 50 12.294 -9.620 -13.238 1.00 0.00 O ATOM 726 CB ASP A 50 9.459 -11.057 -12.871 1.00 0.00 C ATOM 727 CG ASP A 50 9.826 -12.423 -13.449 1.00 0.00 C ATOM 728 OD1 ASP A 50 10.367 -12.436 -14.576 1.00 0.00 O ATOM 729 OD2 ASP A 50 9.639 -13.451 -12.759 1.00 0.00 O ATOM 0 H ASP A 50 9.346 -8.855 -11.940 1.00 0.00 H new ATOM 0 HA ASP A 50 10.597 -11.240 -11.029 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.494 -11.120 -12.368 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.350 -10.335 -13.680 1.00 0.00 H new ATOM 734 N ARG A 51 12.696 -11.643 -12.346 1.00 0.00 N ATOM 735 CA ARG A 51 14.101 -11.759 -12.791 1.00 0.00 C ATOM 736 C ARG A 51 14.312 -12.260 -14.234 1.00 0.00 C ATOM 737 O ARG A 51 15.453 -12.520 -14.620 1.00 0.00 O ATOM 738 CB ARG A 51 14.916 -12.542 -11.743 1.00 0.00 C ATOM 739 CG ARG A 51 14.546 -14.033 -11.657 1.00 0.00 C ATOM 740 CD ARG A 51 15.396 -14.775 -10.620 1.00 0.00 C ATOM 741 NE ARG A 51 15.095 -14.353 -9.235 1.00 0.00 N ATOM 742 CZ ARG A 51 15.697 -14.775 -8.136 1.00 0.00 C ATOM 743 NH1 ARG A 51 16.663 -15.651 -8.166 1.00 0.00 N ATOM 744 NH2 ARG A 51 15.336 -14.320 -6.971 1.00 0.00 N ATOM 0 H ARG A 51 12.359 -12.479 -11.869 1.00 0.00 H new ATOM 0 HA ARG A 51 14.485 -10.741 -12.852 1.00 0.00 H new ATOM 0 HB2 ARG A 51 15.976 -12.453 -11.980 1.00 0.00 H new ATOM 0 HB3 ARG A 51 14.769 -12.084 -10.765 1.00 0.00 H new ATOM 0 HG2 ARG A 51 13.492 -14.131 -11.399 1.00 0.00 H new ATOM 0 HG3 ARG A 51 14.679 -14.497 -12.634 1.00 0.00 H new ATOM 0 HD2 ARG A 51 15.225 -15.847 -10.715 1.00 0.00 H new ATOM 0 HD3 ARG A 51 16.452 -14.601 -10.828 1.00 0.00 H new ATOM 0 HE ARG A 51 14.349 -13.668 -9.116 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.977 -16.034 -9.058 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.104 -15.953 -7.298 1.00 0.00 H new ATOM 0 HH21 ARG A 51 14.585 -13.634 -6.902 1.00 0.00 H new ATOM 0 HH22 ARG A 51 15.805 -14.650 -6.127 1.00 0.00 H new ATOM 758 N VAL A 52 13.245 -12.407 -15.029 1.00 0.00 N ATOM 759 CA VAL A 52 13.276 -12.981 -16.394 1.00 0.00 C ATOM 760 C VAL A 52 12.526 -12.091 -17.392 1.00 0.00 C ATOM 761 O VAL A 52 12.971 -11.920 -18.528 1.00 0.00 O ATOM 762 CB VAL A 52 12.676 -14.408 -16.405 1.00 0.00 C ATOM 763 CG1 VAL A 52 12.819 -15.078 -17.779 1.00 0.00 C ATOM 764 CG2 VAL A 52 13.348 -15.332 -15.378 1.00 0.00 C ATOM 0 H VAL A 52 12.308 -12.125 -14.740 1.00 0.00 H new ATOM 0 HA VAL A 52 14.321 -13.035 -16.701 1.00 0.00 H new ATOM 0 HB VAL A 52 11.624 -14.275 -16.154 1.00 0.00 H new ATOM 0 HG11 VAL A 52 12.385 -16.077 -17.743 1.00 0.00 H new ATOM 0 HG12 VAL A 52 12.299 -14.483 -18.530 1.00 0.00 H new ATOM 0 HG13 VAL A 52 13.875 -15.150 -18.041 1.00 0.00 H new ATOM 0 HG21 VAL A 52 12.892 -16.321 -15.425 1.00 0.00 H new ATOM 0 HG22 VAL A 52 14.412 -15.412 -15.602 1.00 0.00 H new ATOM 0 HG23 VAL A 52 13.218 -14.920 -14.377 1.00 0.00 H new ATOM 774 N THR A 53 11.415 -11.487 -16.961 1.00 0.00 N ATOM 775 CA THR A 53 10.513 -10.659 -17.778 1.00 0.00 C ATOM 776 C THR A 53 10.487 -9.199 -17.326 1.00 0.00 C ATOM 777 O THR A 53 9.990 -8.330 -18.046 1.00 0.00 O ATOM 778 CB THR A 53 9.078 -11.214 -17.752 1.00 0.00 C ATOM 779 OG1 THR A 53 8.552 -11.160 -16.441 1.00 0.00 O ATOM 780 CG2 THR A 53 8.981 -12.659 -18.243 1.00 0.00 C ATOM 0 H THR A 53 11.103 -11.563 -15.993 1.00 0.00 H new ATOM 0 HA THR A 53 10.907 -10.696 -18.794 1.00 0.00 H new ATOM 0 HB THR A 53 8.505 -10.584 -18.432 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.142 -11.651 -15.831 1.00 0.00 H new ATOM 0 HG21 THR A 53 7.943 -12.989 -18.199 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.338 -12.719 -19.271 1.00 0.00 H new ATOM 0 HG23 THR A 53 9.593 -13.301 -17.609 1.00 0.00 H new ATOM 788 N GLY A 54 11.006 -8.918 -16.125 1.00 0.00 N ATOM 789 CA GLY A 54 11.127 -7.578 -15.554 1.00 0.00 C ATOM 790 C GLY A 54 9.804 -6.914 -15.137 1.00 0.00 C ATOM 791 O GLY A 54 9.807 -5.756 -14.715 1.00 0.00 O ATOM 0 H GLY A 54 11.365 -9.645 -15.505 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.777 -7.631 -14.681 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.622 -6.935 -16.282 1.00 0.00 H new ATOM 795 N GLN A 55 8.677 -7.625 -15.245 1.00 0.00 N ATOM 796 CA GLN A 55 7.349 -7.153 -14.834 1.00 0.00 C ATOM 797 C GLN A 55 7.189 -7.231 -13.306 1.00 0.00 C ATOM 798 O GLN A 55 7.951 -7.932 -12.638 1.00 0.00 O ATOM 799 CB GLN A 55 6.254 -7.966 -15.553 1.00 0.00 C ATOM 800 CG GLN A 55 6.421 -8.069 -17.081 1.00 0.00 C ATOM 801 CD GLN A 55 6.610 -6.716 -17.767 1.00 0.00 C ATOM 802 OE1 GLN A 55 5.716 -5.880 -17.812 1.00 0.00 O ATOM 803 NE2 GLN A 55 7.774 -6.438 -18.317 1.00 0.00 N ATOM 0 H GLN A 55 8.662 -8.569 -15.631 1.00 0.00 H new ATOM 0 HA GLN A 55 7.244 -6.107 -15.121 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.236 -8.973 -15.135 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.286 -7.514 -15.338 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.280 -8.703 -17.303 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.544 -8.561 -17.502 1.00 0.00 H new ATOM 0 HE21 GLN A 55 8.529 -7.124 -18.288 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.921 -5.537 -18.772 1.00 0.00 H new ATOM 812 N HIS A 56 6.208 -6.536 -12.722 1.00 0.00 N ATOM 813 CA HIS A 56 5.957 -6.632 -11.275 1.00 0.00 C ATOM 814 C HIS A 56 5.403 -8.010 -10.867 1.00 0.00 C ATOM 815 O HIS A 56 4.765 -8.706 -11.662 1.00 0.00 O ATOM 816 CB HIS A 56 5.098 -5.463 -10.774 1.00 0.00 C ATOM 817 CG HIS A 56 3.631 -5.551 -11.115 1.00 0.00 C ATOM 818 ND1 HIS A 56 2.714 -6.396 -10.485 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.968 -4.769 -12.015 1.00 0.00 C ATOM 820 CE1 HIS A 56 1.522 -6.117 -11.035 1.00 0.00 C ATOM 821 NE2 HIS A 56 1.643 -5.136 -11.942 1.00 0.00 N ATOM 0 H HIS A 56 5.579 -5.906 -13.220 1.00 0.00 H new ATOM 0 HA HIS A 56 6.920 -6.545 -10.771 1.00 0.00 H new ATOM 0 HB2 HIS A 56 5.199 -5.397 -9.691 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.496 -4.537 -11.189 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.397 -4.013 -12.656 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.596 -6.612 -10.783 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.882 -4.730 -12.486 1.00 0.00 H new ATOM 829 N GLN A 57 5.655 -8.413 -9.619 1.00 0.00 N ATOM 830 CA GLN A 57 5.348 -9.757 -9.099 1.00 0.00 C ATOM 831 C GLN A 57 3.900 -9.924 -8.576 1.00 0.00 C ATOM 832 O GLN A 57 3.610 -10.861 -7.830 1.00 0.00 O ATOM 833 CB GLN A 57 6.421 -10.162 -8.070 1.00 0.00 C ATOM 834 CG GLN A 57 7.810 -10.315 -8.714 1.00 0.00 C ATOM 835 CD GLN A 57 8.860 -10.760 -7.699 1.00 0.00 C ATOM 836 OE1 GLN A 57 9.613 -9.968 -7.152 1.00 0.00 O ATOM 837 NE2 GLN A 57 8.948 -12.040 -7.397 1.00 0.00 N ATOM 0 H GLN A 57 6.087 -7.805 -8.924 1.00 0.00 H new ATOM 0 HA GLN A 57 5.387 -10.453 -9.937 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.468 -9.411 -7.281 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.135 -11.102 -7.599 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.757 -11.042 -9.524 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.112 -9.366 -9.157 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.327 -12.714 -7.845 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.637 -12.357 -6.715 1.00 0.00 H new ATOM 846 N GLY A 58 2.976 -9.032 -8.953 1.00 0.00 N ATOM 847 CA GLY A 58 1.560 -9.063 -8.554 1.00 0.00 C ATOM 848 C GLY A 58 1.246 -8.368 -7.222 1.00 0.00 C ATOM 849 O GLY A 58 0.092 -8.374 -6.788 1.00 0.00 O ATOM 0 H GLY A 58 3.198 -8.245 -9.562 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.966 -8.595 -9.339 1.00 0.00 H new ATOM 0 HA3 GLY A 58 1.239 -10.103 -8.489 1.00 0.00 H new ATOM 853 N TYR A 59 2.239 -7.757 -6.571 1.00 0.00 N ATOM 854 CA TYR A 59 2.081 -7.005 -5.323 1.00 0.00 C ATOM 855 C TYR A 59 3.015 -5.786 -5.250 1.00 0.00 C ATOM 856 O TYR A 59 4.020 -5.697 -5.962 1.00 0.00 O ATOM 857 CB TYR A 59 2.269 -7.933 -4.113 1.00 0.00 C ATOM 858 CG TYR A 59 3.672 -8.483 -3.928 1.00 0.00 C ATOM 859 CD1 TYR A 59 4.562 -7.866 -3.027 1.00 0.00 C ATOM 860 CD2 TYR A 59 4.077 -9.628 -4.642 1.00 0.00 C ATOM 861 CE1 TYR A 59 5.849 -8.402 -2.833 1.00 0.00 C ATOM 862 CE2 TYR A 59 5.373 -10.150 -4.470 1.00 0.00 C ATOM 863 CZ TYR A 59 6.264 -9.538 -3.561 1.00 0.00 C ATOM 864 OH TYR A 59 7.515 -10.040 -3.374 1.00 0.00 O ATOM 0 H TYR A 59 3.202 -7.772 -6.907 1.00 0.00 H new ATOM 0 HA TYR A 59 1.065 -6.612 -5.303 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.988 -7.388 -3.211 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.578 -8.771 -4.208 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.257 -6.983 -2.486 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.390 -10.107 -5.324 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.522 -7.942 -2.124 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.686 -11.017 -5.032 1.00 0.00 H new ATOM 0 HH TYR A 59 7.643 -10.823 -3.949 1.00 0.00 H new ATOM 874 N GLY A 60 2.661 -4.835 -4.386 1.00 0.00 N ATOM 875 CA GLY A 60 3.347 -3.563 -4.187 1.00 0.00 C ATOM 876 C GLY A 60 3.205 -3.016 -2.766 1.00 0.00 C ATOM 877 O GLY A 60 2.584 -3.630 -1.897 1.00 0.00 O ATOM 0 H GLY A 60 1.849 -4.938 -3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.405 -3.689 -4.417 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.953 -2.831 -4.892 1.00 0.00 H new ATOM 881 N PHE A 61 3.782 -1.838 -2.548 1.00 0.00 N ATOM 882 CA PHE A 61 3.850 -1.140 -1.270 1.00 0.00 C ATOM 883 C PHE A 61 3.752 0.380 -1.451 1.00 0.00 C ATOM 884 O PHE A 61 4.262 0.929 -2.434 1.00 0.00 O ATOM 885 CB PHE A 61 5.174 -1.463 -0.562 1.00 0.00 C ATOM 886 CG PHE A 61 5.431 -2.925 -0.250 1.00 0.00 C ATOM 887 CD1 PHE A 61 6.145 -3.728 -1.159 1.00 0.00 C ATOM 888 CD2 PHE A 61 4.994 -3.472 0.971 1.00 0.00 C ATOM 889 CE1 PHE A 61 6.423 -5.071 -0.849 1.00 0.00 C ATOM 890 CE2 PHE A 61 5.281 -4.812 1.287 1.00 0.00 C ATOM 891 CZ PHE A 61 5.993 -5.613 0.375 1.00 0.00 C ATOM 0 H PHE A 61 4.238 -1.318 -3.298 1.00 0.00 H new ATOM 0 HA PHE A 61 3.005 -1.479 -0.670 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.992 -1.097 -1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.208 -0.903 0.372 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.480 -3.311 -2.097 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.437 -2.862 1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.967 -5.686 -1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.955 -5.226 2.230 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.209 -6.644 0.615 1.00 0.00 H new ATOM 901 N VAL A 62 3.165 1.064 -0.466 1.00 0.00 N ATOM 902 CA VAL A 62 3.062 2.535 -0.406 1.00 0.00 C ATOM 903 C VAL A 62 3.424 3.021 0.995 1.00 0.00 C ATOM 904 O VAL A 62 2.868 2.536 1.975 1.00 0.00 O ATOM 905 CB VAL A 62 1.649 3.030 -0.785 1.00 0.00 C ATOM 906 CG1 VAL A 62 1.638 4.553 -0.923 1.00 0.00 C ATOM 907 CG2 VAL A 62 1.138 2.417 -2.092 1.00 0.00 C ATOM 0 H VAL A 62 2.735 0.603 0.336 1.00 0.00 H new ATOM 0 HA VAL A 62 3.762 2.947 -1.133 1.00 0.00 H new ATOM 0 HB VAL A 62 0.987 2.713 0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.635 4.887 -1.190 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.931 5.006 0.024 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.340 4.853 -1.701 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.141 2.801 -2.308 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.813 2.681 -2.906 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.096 1.332 -1.993 1.00 0.00 H new ATOM 917 N GLU A 63 4.345 3.974 1.108 1.00 0.00 N ATOM 918 CA GLU A 63 4.829 4.507 2.386 1.00 0.00 C ATOM 919 C GLU A 63 4.326 5.929 2.634 1.00 0.00 C ATOM 920 O GLU A 63 4.510 6.824 1.807 1.00 0.00 O ATOM 921 CB GLU A 63 6.355 4.431 2.427 1.00 0.00 C ATOM 922 CG GLU A 63 6.941 4.788 3.801 1.00 0.00 C ATOM 923 CD GLU A 63 8.432 4.409 3.890 1.00 0.00 C ATOM 924 OE1 GLU A 63 9.142 4.507 2.857 1.00 0.00 O ATOM 925 OE2 GLU A 63 8.923 4.088 4.999 1.00 0.00 O ATOM 0 H GLU A 63 4.788 4.409 0.299 1.00 0.00 H new ATOM 0 HA GLU A 63 4.427 3.895 3.193 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.670 3.423 2.155 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.766 5.106 1.677 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.824 5.856 3.982 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.385 4.269 4.582 1.00 0.00 H new ATOM 932 N PHE A 64 3.717 6.135 3.797 1.00 0.00 N ATOM 933 CA PHE A 64 3.160 7.404 4.249 1.00 0.00 C ATOM 934 C PHE A 64 4.084 8.134 5.226 1.00 0.00 C ATOM 935 O PHE A 64 4.983 7.542 5.827 1.00 0.00 O ATOM 936 CB PHE A 64 1.791 7.144 4.880 1.00 0.00 C ATOM 937 CG PHE A 64 0.739 6.781 3.859 1.00 0.00 C ATOM 938 CD1 PHE A 64 0.526 5.441 3.483 1.00 0.00 C ATOM 939 CD2 PHE A 64 0.004 7.810 3.248 1.00 0.00 C ATOM 940 CE1 PHE A 64 -0.450 5.129 2.521 1.00 0.00 C ATOM 941 CE2 PHE A 64 -0.969 7.499 2.286 1.00 0.00 C ATOM 942 CZ PHE A 64 -1.204 6.161 1.934 1.00 0.00 C ATOM 0 H PHE A 64 3.593 5.388 4.480 1.00 0.00 H new ATOM 0 HA PHE A 64 3.054 8.061 3.385 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.878 6.338 5.608 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.472 8.033 5.425 1.00 0.00 H new ATOM 0 HD1 PHE A 64 1.112 4.654 3.933 1.00 0.00 H new ATOM 0 HD2 PHE A 64 0.187 8.839 3.518 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -0.620 4.102 2.234 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -1.537 8.289 1.817 1.00 0.00 H new ATOM 0 HZ PHE A 64 -1.968 5.923 1.209 1.00 0.00 H new ATOM 952 N LEU A 65 3.836 9.434 5.409 1.00 0.00 N ATOM 953 CA LEU A 65 4.588 10.265 6.352 1.00 0.00 C ATOM 954 C LEU A 65 4.433 9.787 7.809 1.00 0.00 C ATOM 955 O LEU A 65 5.379 9.893 8.593 1.00 0.00 O ATOM 956 CB LEU A 65 4.127 11.723 6.191 1.00 0.00 C ATOM 957 CG LEU A 65 5.086 12.741 6.830 1.00 0.00 C ATOM 958 CD1 LEU A 65 6.347 12.932 5.983 1.00 0.00 C ATOM 959 CD2 LEU A 65 4.401 14.101 6.955 1.00 0.00 C ATOM 0 H LEU A 65 3.107 9.940 4.906 1.00 0.00 H new ATOM 0 HA LEU A 65 5.651 10.183 6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.024 11.949 5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.139 11.835 6.638 1.00 0.00 H new ATOM 0 HG LEU A 65 5.360 12.351 7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.002 13.658 6.464 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.869 11.980 5.887 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.069 13.294 4.993 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.089 14.815 7.409 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.112 14.455 5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.513 14.005 7.580 1.00 0.00 H new ATOM 971 N SER A 66 3.265 9.235 8.158 1.00 0.00 N ATOM 972 CA SER A 66 2.951 8.758 9.512 1.00 0.00 C ATOM 973 C SER A 66 2.060 7.510 9.483 1.00 0.00 C ATOM 974 O SER A 66 1.334 7.265 8.518 1.00 0.00 O ATOM 975 CB SER A 66 2.266 9.866 10.331 1.00 0.00 C ATOM 976 OG SER A 66 2.983 11.093 10.304 1.00 0.00 O ATOM 0 H SER A 66 2.499 9.105 7.498 1.00 0.00 H new ATOM 0 HA SER A 66 3.895 8.490 9.986 1.00 0.00 H new ATOM 0 HB2 SER A 66 1.260 10.029 9.943 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.160 9.535 11.364 1.00 0.00 H new ATOM 0 HG SER A 66 2.506 11.763 10.837 1.00 0.00 H new ATOM 982 N GLU A 67 2.082 6.721 10.559 1.00 0.00 N ATOM 983 CA GLU A 67 1.300 5.478 10.666 1.00 0.00 C ATOM 984 C GLU A 67 -0.215 5.719 10.579 1.00 0.00 C ATOM 985 O GLU A 67 -0.918 4.936 9.949 1.00 0.00 O ATOM 986 CB GLU A 67 1.667 4.763 11.975 1.00 0.00 C ATOM 987 CG GLU A 67 0.958 3.405 12.121 1.00 0.00 C ATOM 988 CD GLU A 67 1.285 2.641 13.421 1.00 0.00 C ATOM 989 OE1 GLU A 67 0.662 1.571 13.629 1.00 0.00 O ATOM 990 OE2 GLU A 67 2.136 3.082 14.231 1.00 0.00 O ATOM 0 H GLU A 67 2.643 6.923 11.386 1.00 0.00 H new ATOM 0 HA GLU A 67 1.554 4.847 9.814 1.00 0.00 H new ATOM 0 HB2 GLU A 67 2.746 4.612 12.013 1.00 0.00 H new ATOM 0 HB3 GLU A 67 1.404 5.400 12.820 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.119 3.566 12.072 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.226 2.778 11.271 1.00 0.00 H new ATOM 997 N GLU A 68 -0.729 6.816 11.141 1.00 0.00 N ATOM 998 CA GLU A 68 -2.165 7.139 11.094 1.00 0.00 C ATOM 999 C GLU A 68 -2.689 7.417 9.670 1.00 0.00 C ATOM 1000 O GLU A 68 -3.873 7.218 9.395 1.00 0.00 O ATOM 1001 CB GLU A 68 -2.475 8.301 12.054 1.00 0.00 C ATOM 1002 CG GLU A 68 -1.799 9.630 11.680 1.00 0.00 C ATOM 1003 CD GLU A 68 -2.128 10.719 12.718 1.00 0.00 C ATOM 1004 OE1 GLU A 68 -1.349 10.896 13.687 1.00 0.00 O ATOM 1005 OE2 GLU A 68 -3.168 11.409 12.577 1.00 0.00 O ATOM 0 H GLU A 68 -0.167 7.506 11.641 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.703 6.251 11.426 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.554 8.452 12.086 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -2.163 8.019 13.060 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.720 9.491 11.621 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.133 9.949 10.693 1.00 0.00 H new ATOM 1012 N ASP A 69 -1.808 7.813 8.746 1.00 0.00 N ATOM 1013 CA ASP A 69 -2.121 7.970 7.322 1.00 0.00 C ATOM 1014 C ASP A 69 -2.099 6.618 6.582 1.00 0.00 C ATOM 1015 O ASP A 69 -2.928 6.382 5.700 1.00 0.00 O ATOM 1016 CB ASP A 69 -1.134 8.972 6.708 1.00 0.00 C ATOM 1017 CG ASP A 69 -1.349 10.395 7.248 1.00 0.00 C ATOM 1018 OD1 ASP A 69 -2.436 10.975 7.014 1.00 0.00 O ATOM 1019 OD2 ASP A 69 -0.420 10.945 7.882 1.00 0.00 O ATOM 0 H ASP A 69 -0.839 8.038 8.971 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.135 8.356 7.216 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.114 8.653 6.921 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.247 8.975 5.624 1.00 0.00 H new ATOM 1024 N ALA A 70 -1.221 5.693 6.992 1.00 0.00 N ATOM 1025 CA ALA A 70 -1.167 4.330 6.463 1.00 0.00 C ATOM 1026 C ALA A 70 -2.369 3.489 6.930 1.00 0.00 C ATOM 1027 O ALA A 70 -3.024 2.827 6.125 1.00 0.00 O ATOM 1028 CB ALA A 70 0.167 3.713 6.897 1.00 0.00 C ATOM 0 H ALA A 70 -0.520 5.876 7.710 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.228 4.350 5.375 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.237 2.694 6.517 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.989 4.307 6.498 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.224 3.699 7.985 1.00 0.00 H new ATOM 1034 N ASP A 71 -2.715 3.569 8.217 1.00 0.00 N ATOM 1035 CA ASP A 71 -3.840 2.851 8.829 1.00 0.00 C ATOM 1036 C ASP A 71 -5.195 3.246 8.204 1.00 0.00 C ATOM 1037 O ASP A 71 -6.098 2.417 8.079 1.00 0.00 O ATOM 1038 CB ASP A 71 -3.811 3.094 10.348 1.00 0.00 C ATOM 1039 CG ASP A 71 -4.266 1.856 11.133 1.00 0.00 C ATOM 1040 OD1 ASP A 71 -3.405 0.980 11.396 1.00 0.00 O ATOM 1041 OD2 ASP A 71 -5.459 1.770 11.507 1.00 0.00 O ATOM 0 H ASP A 71 -2.207 4.151 8.883 1.00 0.00 H new ATOM 0 HA ASP A 71 -3.730 1.784 8.633 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.801 3.367 10.653 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.457 3.937 10.593 1.00 0.00 H new ATOM 1046 N TYR A 72 -5.308 4.492 7.727 1.00 0.00 N ATOM 1047 CA TYR A 72 -6.463 4.987 6.975 1.00 0.00 C ATOM 1048 C TYR A 72 -6.464 4.534 5.508 1.00 0.00 C ATOM 1049 O TYR A 72 -7.521 4.197 4.979 1.00 0.00 O ATOM 1050 CB TYR A 72 -6.498 6.516 7.060 1.00 0.00 C ATOM 1051 CG TYR A 72 -7.750 7.124 6.452 1.00 0.00 C ATOM 1052 CD1 TYR A 72 -7.660 7.898 5.279 1.00 0.00 C ATOM 1053 CD2 TYR A 72 -9.007 6.897 7.047 1.00 0.00 C ATOM 1054 CE1 TYR A 72 -8.820 8.445 4.697 1.00 0.00 C ATOM 1055 CE2 TYR A 72 -10.171 7.438 6.467 1.00 0.00 C ATOM 1056 CZ TYR A 72 -10.081 8.214 5.290 1.00 0.00 C ATOM 1057 OH TYR A 72 -11.211 8.742 4.742 1.00 0.00 O ATOM 0 H TYR A 72 -4.583 5.197 7.857 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.358 4.560 7.427 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.428 6.816 8.105 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.623 6.921 6.552 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -6.697 8.073 4.823 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -9.078 6.307 7.949 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -8.745 9.040 3.799 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -11.134 7.259 6.923 1.00 0.00 H new ATOM 0 HH TYR A 72 -11.988 8.481 5.279 1.00 0.00 H new ATOM 1067 N ALA A 73 -5.303 4.446 4.850 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.214 3.956 3.471 1.00 0.00 C ATOM 1069 C ALA A 73 -5.690 2.496 3.367 1.00 0.00 C ATOM 1070 O ALA A 73 -6.433 2.141 2.452 1.00 0.00 O ATOM 1071 CB ALA A 73 -3.777 4.140 2.979 1.00 0.00 C ATOM 0 H ALA A 73 -4.405 4.710 5.255 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.878 4.533 2.827 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.695 3.780 1.954 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.513 5.197 3.015 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.099 3.575 3.618 1.00 0.00 H new ATOM 1077 N ILE A 74 -5.358 1.682 4.373 1.00 0.00 N ATOM 1078 CA ILE A 74 -5.829 0.297 4.528 1.00 0.00 C ATOM 1079 C ILE A 74 -7.361 0.239 4.662 1.00 0.00 C ATOM 1080 O ILE A 74 -7.994 -0.658 4.106 1.00 0.00 O ATOM 1081 CB ILE A 74 -5.108 -0.350 5.736 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -3.583 -0.385 5.490 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -5.615 -1.778 6.006 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -2.763 -0.552 6.766 1.00 0.00 C ATOM 0 H ILE A 74 -4.736 1.975 5.126 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.583 -0.274 3.633 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.328 0.261 6.612 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.352 -1.204 4.809 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.282 0.537 4.993 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.084 -2.197 6.861 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.683 -1.750 6.220 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.437 -2.399 5.128 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.702 -0.568 6.517 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.965 0.281 7.440 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.036 -1.488 7.254 1.00 0.00 H new ATOM 1096 N LYS A 75 -7.978 1.224 5.329 1.00 0.00 N ATOM 1097 CA LYS A 75 -9.438 1.334 5.475 1.00 0.00 C ATOM 1098 C LYS A 75 -10.153 1.670 4.155 1.00 0.00 C ATOM 1099 O LYS A 75 -11.234 1.131 3.912 1.00 0.00 O ATOM 1100 CB LYS A 75 -9.748 2.337 6.604 1.00 0.00 C ATOM 1101 CG LYS A 75 -11.250 2.532 6.840 1.00 0.00 C ATOM 1102 CD LYS A 75 -11.512 3.356 8.108 1.00 0.00 C ATOM 1103 CE LYS A 75 -13.022 3.538 8.312 1.00 0.00 C ATOM 1104 NZ LYS A 75 -13.319 4.311 9.546 1.00 0.00 N ATOM 0 H LYS A 75 -7.470 1.979 5.790 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.839 0.359 5.751 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.283 1.991 7.527 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.297 3.299 6.361 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.694 3.033 5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.736 1.560 6.928 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.077 2.856 8.973 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.028 4.329 8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.447 4.052 7.449 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.502 2.561 8.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.348 4.414 9.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.935 3.808 10.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.882 5.252 9.480 1.00 0.00 H new ATOM 1118 N ILE A 76 -9.571 2.516 3.295 1.00 0.00 N ATOM 1119 CA ILE A 76 -10.236 3.022 2.078 1.00 0.00 C ATOM 1120 C ILE A 76 -9.871 2.314 0.762 1.00 0.00 C ATOM 1121 O ILE A 76 -10.575 2.520 -0.223 1.00 0.00 O ATOM 1122 CB ILE A 76 -10.044 4.542 1.921 1.00 0.00 C ATOM 1123 CG1 ILE A 76 -8.566 4.941 1.764 1.00 0.00 C ATOM 1124 CG2 ILE A 76 -10.707 5.296 3.087 1.00 0.00 C ATOM 1125 CD1 ILE A 76 -8.420 6.312 1.115 1.00 0.00 C ATOM 0 H ILE A 76 -8.623 2.872 3.420 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.286 2.784 2.250 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.539 4.833 0.994 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.085 4.948 2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.050 4.195 1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.560 6.368 2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.774 5.075 3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.257 4.979 4.028 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.363 6.559 1.021 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.879 6.297 0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.914 7.062 1.733 1.00 0.00 H new ATOM 1137 N MET A 77 -8.796 1.517 0.716 1.00 0.00 N ATOM 1138 CA MET A 77 -8.299 0.843 -0.508 1.00 0.00 C ATOM 1139 C MET A 77 -8.432 -0.695 -0.510 1.00 0.00 C ATOM 1140 O MET A 77 -8.104 -1.342 -1.503 1.00 0.00 O ATOM 1141 CB MET A 77 -6.843 1.253 -0.750 1.00 0.00 C ATOM 1142 CG MET A 77 -6.719 2.713 -1.189 1.00 0.00 C ATOM 1143 SD MET A 77 -7.050 2.968 -2.951 1.00 0.00 S ATOM 1144 CE MET A 77 -6.400 4.646 -3.114 1.00 0.00 C ATOM 0 H MET A 77 -8.231 1.313 1.540 1.00 0.00 H new ATOM 0 HA MET A 77 -8.944 1.177 -1.320 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.268 1.100 0.163 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.408 0.608 -1.513 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.412 3.320 -0.606 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.714 3.069 -0.961 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.044 5.223 -3.778 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.370 5.121 -2.134 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.393 4.607 -3.529 1.00 0.00 H new ATOM 1154 N ASP A 78 -8.917 -1.303 0.573 1.00 0.00 N ATOM 1155 CA ASP A 78 -9.017 -2.769 0.704 1.00 0.00 C ATOM 1156 C ASP A 78 -10.266 -3.374 0.023 1.00 0.00 C ATOM 1157 O ASP A 78 -11.343 -2.773 0.022 1.00 0.00 O ATOM 1158 CB ASP A 78 -8.929 -3.172 2.181 1.00 0.00 C ATOM 1159 CG ASP A 78 -8.918 -4.695 2.347 1.00 0.00 C ATOM 1160 OD1 ASP A 78 -9.813 -5.243 3.028 1.00 0.00 O ATOM 1161 OD2 ASP A 78 -8.001 -5.342 1.786 1.00 0.00 O ATOM 0 H ASP A 78 -9.255 -0.796 1.391 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.169 -3.191 0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.025 -2.750 2.621 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.775 -2.752 2.725 1.00 0.00 H new ATOM 1166 N MET A 79 -10.122 -4.585 -0.535 1.00 0.00 N ATOM 1167 CA MET A 79 -11.149 -5.368 -1.255 1.00 0.00 C ATOM 1168 C MET A 79 -11.731 -4.685 -2.518 1.00 0.00 C ATOM 1169 O MET A 79 -12.740 -5.112 -3.082 1.00 0.00 O ATOM 1170 CB MET A 79 -12.202 -5.890 -0.256 1.00 0.00 C ATOM 1171 CG MET A 79 -12.880 -7.189 -0.715 1.00 0.00 C ATOM 1172 SD MET A 79 -14.019 -7.931 0.491 1.00 0.00 S ATOM 1173 CE MET A 79 -12.843 -8.530 1.738 1.00 0.00 C ATOM 0 H MET A 79 -9.230 -5.079 -0.496 1.00 0.00 H new ATOM 0 HA MET A 79 -10.651 -6.233 -1.692 1.00 0.00 H new ATOM 0 HB2 MET A 79 -11.725 -6.058 0.710 1.00 0.00 H new ATOM 0 HB3 MET A 79 -12.963 -5.124 -0.107 1.00 0.00 H new ATOM 0 HG2 MET A 79 -13.429 -6.989 -1.635 1.00 0.00 H new ATOM 0 HG3 MET A 79 -12.107 -7.918 -0.958 1.00 0.00 H new ATOM 0 HE1 MET A 79 -13.365 -9.164 2.455 1.00 0.00 H new ATOM 0 HE2 MET A 79 -12.057 -9.105 1.250 1.00 0.00 H new ATOM 0 HE3 MET A 79 -12.401 -7.681 2.259 1.00 0.00 H new ATOM 1183 N ILE A 80 -11.074 -3.621 -2.980 1.00 0.00 N ATOM 1184 CA ILE A 80 -11.410 -2.786 -4.138 1.00 0.00 C ATOM 1185 C ILE A 80 -10.812 -3.348 -5.433 1.00 0.00 C ATOM 1186 O ILE A 80 -9.784 -4.018 -5.406 1.00 0.00 O ATOM 1187 CB ILE A 80 -10.953 -1.355 -3.785 1.00 0.00 C ATOM 1188 CG1 ILE A 80 -12.050 -0.736 -2.897 1.00 0.00 C ATOM 1189 CG2 ILE A 80 -10.615 -0.460 -4.983 1.00 0.00 C ATOM 1190 CD1 ILE A 80 -11.578 0.463 -2.081 1.00 0.00 C ATOM 0 H ILE A 80 -10.225 -3.293 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.481 -2.776 -4.341 1.00 0.00 H new ATOM 0 HB ILE A 80 -10.000 -1.425 -3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.884 -0.429 -3.528 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -12.428 -1.500 -2.218 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -10.305 0.523 -4.627 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.805 -0.910 -5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -11.494 -0.355 -5.618 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.405 0.844 -1.482 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.764 0.158 -1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.227 1.246 -2.754 1.00 0.00 H new ATOM 1202 N LYS A 81 -11.445 -3.086 -6.582 1.00 0.00 N ATOM 1203 CA LYS A 81 -11.107 -3.698 -7.878 1.00 0.00 C ATOM 1204 C LYS A 81 -10.354 -2.737 -8.806 1.00 0.00 C ATOM 1205 O LYS A 81 -10.900 -2.275 -9.809 1.00 0.00 O ATOM 1206 CB LYS A 81 -12.377 -4.299 -8.506 1.00 0.00 C ATOM 1207 CG LYS A 81 -13.001 -5.401 -7.629 1.00 0.00 C ATOM 1208 CD LYS A 81 -14.141 -6.151 -8.334 1.00 0.00 C ATOM 1209 CE LYS A 81 -13.608 -7.158 -9.362 1.00 0.00 C ATOM 1210 NZ LYS A 81 -14.709 -7.772 -10.151 1.00 0.00 N ATOM 0 H LYS A 81 -12.223 -2.429 -6.641 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.402 -4.513 -7.712 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.109 -3.508 -8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.134 -4.712 -9.485 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.227 -6.113 -7.343 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.380 -4.955 -6.709 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.746 -6.673 -7.593 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.795 -5.435 -8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.913 -6.657 -10.036 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.048 -7.940 -8.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.311 -8.447 -10.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.359 -8.271 -9.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.228 -7.028 -10.660 1.00 0.00 H new ATOM 1224 N LEU A 82 -9.086 -2.455 -8.490 1.00 0.00 N ATOM 1225 CA LEU A 82 -8.184 -1.668 -9.349 1.00 0.00 C ATOM 1226 C LEU A 82 -8.072 -2.335 -10.736 1.00 0.00 C ATOM 1227 O LEU A 82 -7.786 -3.531 -10.814 1.00 0.00 O ATOM 1228 CB LEU A 82 -6.817 -1.531 -8.643 1.00 0.00 C ATOM 1229 CG LEU A 82 -5.800 -0.598 -9.327 1.00 0.00 C ATOM 1230 CD1 LEU A 82 -6.343 0.816 -9.540 1.00 0.00 C ATOM 1231 CD2 LEU A 82 -4.550 -0.494 -8.450 1.00 0.00 C ATOM 0 H LEU A 82 -8.649 -2.768 -7.623 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.579 -0.665 -9.510 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.988 -1.170 -7.629 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.372 -2.522 -8.558 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.579 -1.028 -10.304 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.583 1.428 -10.025 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.232 0.773 -10.170 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.602 1.255 -8.577 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.825 0.165 -8.927 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.822 -0.089 -7.475 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.112 -1.484 -8.322 1.00 0.00 H new ATOM 1243 N TYR A 83 -8.354 -1.603 -11.825 1.00 0.00 N ATOM 1244 CA TYR A 83 -8.515 -2.183 -13.177 1.00 0.00 C ATOM 1245 C TYR A 83 -9.408 -3.459 -13.281 1.00 0.00 C ATOM 1246 O TYR A 83 -9.200 -4.288 -14.171 1.00 0.00 O ATOM 1247 CB TYR A 83 -7.138 -2.378 -13.839 1.00 0.00 C ATOM 1248 CG TYR A 83 -6.298 -1.124 -13.980 1.00 0.00 C ATOM 1249 CD1 TYR A 83 -6.717 -0.087 -14.838 1.00 0.00 C ATOM 1250 CD2 TYR A 83 -5.073 -1.016 -13.296 1.00 0.00 C ATOM 1251 CE1 TYR A 83 -5.913 1.055 -15.013 1.00 0.00 C ATOM 1252 CE2 TYR A 83 -4.264 0.120 -13.474 1.00 0.00 C ATOM 1253 CZ TYR A 83 -4.680 1.162 -14.331 1.00 0.00 C ATOM 1254 OH TYR A 83 -3.892 2.258 -14.500 1.00 0.00 O ATOM 0 H TYR A 83 -8.478 -0.591 -11.798 1.00 0.00 H new ATOM 0 HA TYR A 83 -9.091 -1.445 -13.735 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.575 -3.108 -13.257 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.288 -2.807 -14.830 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -7.658 -0.169 -15.363 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.754 -1.807 -12.633 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.238 1.849 -15.668 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.321 0.196 -12.953 1.00 0.00 H new ATOM 0 HH TYR A 83 -4.453 3.037 -14.695 1.00 0.00 H new ATOM 1264 N GLY A 84 -10.406 -3.650 -12.401 1.00 0.00 N ATOM 1265 CA GLY A 84 -11.342 -4.790 -12.455 1.00 0.00 C ATOM 1266 C GLY A 84 -10.811 -6.120 -11.885 1.00 0.00 C ATOM 1267 O GLY A 84 -11.252 -7.191 -12.307 1.00 0.00 O ATOM 0 H GLY A 84 -10.588 -3.013 -11.625 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.247 -4.519 -11.912 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.630 -4.951 -13.494 1.00 0.00 H new ATOM 1271 N LYS A 85 -9.873 -6.065 -10.930 1.00 0.00 N ATOM 1272 CA LYS A 85 -9.153 -7.173 -10.294 1.00 0.00 C ATOM 1273 C LYS A 85 -8.951 -6.808 -8.808 1.00 0.00 C ATOM 1274 O LYS A 85 -8.392 -5.745 -8.528 1.00 0.00 O ATOM 1275 CB LYS A 85 -7.828 -7.363 -11.052 1.00 0.00 C ATOM 1276 CG LYS A 85 -7.027 -8.590 -10.586 1.00 0.00 C ATOM 1277 CD LYS A 85 -5.837 -8.870 -11.520 1.00 0.00 C ATOM 1278 CE LYS A 85 -6.303 -9.469 -12.858 1.00 0.00 C ATOM 1279 NZ LYS A 85 -5.222 -9.476 -13.875 1.00 0.00 N ATOM 0 H LYS A 85 -9.574 -5.166 -10.551 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.697 -8.116 -10.333 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.038 -7.459 -12.117 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.216 -6.470 -10.927 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.665 -8.426 -9.571 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.680 -9.462 -10.554 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.291 -7.945 -11.704 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.144 -9.557 -11.034 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.653 -10.488 -12.696 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.151 -8.897 -13.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.465 -10.143 -14.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.114 -8.521 -14.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.329 -9.769 -13.430 1.00 0.00 H new ATOM 1293 N PRO A 86 -9.461 -7.603 -7.850 1.00 0.00 N ATOM 1294 CA PRO A 86 -9.535 -7.210 -6.442 1.00 0.00 C ATOM 1295 C PRO A 86 -8.166 -7.171 -5.745 1.00 0.00 C ATOM 1296 O PRO A 86 -7.428 -8.161 -5.754 1.00 0.00 O ATOM 1297 CB PRO A 86 -10.518 -8.190 -5.793 1.00 0.00 C ATOM 1298 CG PRO A 86 -10.439 -9.430 -6.680 1.00 0.00 C ATOM 1299 CD PRO A 86 -10.171 -8.849 -8.067 1.00 0.00 C ATOM 0 HA PRO A 86 -9.884 -6.182 -6.343 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.237 -8.416 -4.764 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.529 -7.783 -5.765 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.641 -10.102 -6.363 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.366 -10.003 -6.655 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.577 -9.536 -8.669 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.103 -8.678 -8.605 1.00 0.00 H new ATOM 1307 N ILE A 87 -7.855 -6.041 -5.099 1.00 0.00 N ATOM 1308 CA ILE A 87 -6.651 -5.839 -4.279 1.00 0.00 C ATOM 1309 C ILE A 87 -6.931 -6.034 -2.780 1.00 0.00 C ATOM 1310 O ILE A 87 -7.985 -5.648 -2.269 1.00 0.00 O ATOM 1311 CB ILE A 87 -5.948 -4.489 -4.571 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -6.835 -3.242 -4.356 1.00 0.00 C ATOM 1313 CG2 ILE A 87 -5.389 -4.502 -6.004 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -6.042 -1.939 -4.186 1.00 0.00 C ATOM 0 H ILE A 87 -8.452 -5.215 -5.133 1.00 0.00 H new ATOM 0 HA ILE A 87 -5.948 -6.618 -4.573 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.144 -4.401 -3.840 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.510 -3.137 -5.205 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.455 -3.397 -3.473 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.894 -3.553 -6.210 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.671 -5.315 -6.107 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.205 -4.647 -6.712 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.733 -1.109 -4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.386 -2.022 -3.319 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.442 -1.759 -5.078 1.00 0.00 H new ATOM 1326 N ARG A 88 -5.961 -6.613 -2.066 1.00 0.00 N ATOM 1327 CA ARG A 88 -5.941 -6.786 -0.603 1.00 0.00 C ATOM 1328 C ARG A 88 -4.903 -5.836 -0.003 1.00 0.00 C ATOM 1329 O ARG A 88 -3.755 -5.839 -0.449 1.00 0.00 O ATOM 1330 CB ARG A 88 -5.640 -8.264 -0.282 1.00 0.00 C ATOM 1331 CG ARG A 88 -5.675 -8.622 1.214 1.00 0.00 C ATOM 1332 CD ARG A 88 -7.098 -8.712 1.785 1.00 0.00 C ATOM 1333 NE ARG A 88 -7.068 -8.971 3.239 1.00 0.00 N ATOM 1334 CZ ARG A 88 -6.975 -8.068 4.199 1.00 0.00 C ATOM 1335 NH1 ARG A 88 -7.039 -6.793 3.964 1.00 0.00 N ATOM 1336 NH2 ARG A 88 -6.801 -8.431 5.436 1.00 0.00 N ATOM 0 H ARG A 88 -5.126 -6.994 -2.511 1.00 0.00 H new ATOM 0 HA ARG A 88 -6.907 -6.539 -0.162 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -6.362 -8.889 -0.807 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.655 -8.513 -0.677 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -5.170 -9.576 1.364 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -5.114 -7.873 1.773 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -7.632 -7.783 1.588 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -7.647 -9.508 1.281 1.00 0.00 H new ATOM 0 HE ARG A 88 -7.125 -9.946 3.532 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -7.166 -6.456 3.010 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -6.963 -6.128 4.734 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -6.735 -9.421 5.673 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.730 -7.726 6.169 1.00 0.00 H new ATOM 1350 N VAL A 89 -5.290 -5.032 0.988 1.00 0.00 N ATOM 1351 CA VAL A 89 -4.448 -3.975 1.582 1.00 0.00 C ATOM 1352 C VAL A 89 -4.328 -4.154 3.099 1.00 0.00 C ATOM 1353 O VAL A 89 -5.321 -4.430 3.770 1.00 0.00 O ATOM 1354 CB VAL A 89 -4.962 -2.567 1.209 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -3.981 -1.467 1.631 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -5.151 -2.419 -0.305 1.00 0.00 C ATOM 0 H VAL A 89 -6.215 -5.093 1.414 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.447 -4.071 1.162 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.911 -2.458 1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.383 -0.494 1.349 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.838 -1.502 2.711 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.024 -1.622 1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.513 -1.416 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.198 -2.582 -0.808 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.876 -3.154 -0.655 1.00 0.00 H new ATOM 1366 N ASN A 90 -3.115 -4.015 3.646 1.00 0.00 N ATOM 1367 CA ASN A 90 -2.807 -4.168 5.080 1.00 0.00 C ATOM 1368 C ASN A 90 -1.479 -3.457 5.445 1.00 0.00 C ATOM 1369 O ASN A 90 -0.787 -2.958 4.560 1.00 0.00 O ATOM 1370 CB ASN A 90 -2.760 -5.680 5.386 1.00 0.00 C ATOM 1371 CG ASN A 90 -2.837 -6.042 6.860 1.00 0.00 C ATOM 1372 OD1 ASN A 90 -3.017 -5.211 7.738 1.00 0.00 O ATOM 1373 ND2 ASN A 90 -2.713 -7.307 7.179 1.00 0.00 N ATOM 0 H ASN A 90 -2.292 -3.786 3.089 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.576 -3.695 5.691 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.585 -6.166 4.865 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -1.837 -6.090 4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -2.767 -7.594 8.156 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.563 -8.004 6.450 1.00 0.00 H new ATOM 1380 N LYS A 91 -1.086 -3.412 6.726 1.00 0.00 N ATOM 1381 CA LYS A 91 0.228 -2.905 7.181 1.00 0.00 C ATOM 1382 C LYS A 91 1.355 -3.779 6.609 1.00 0.00 C ATOM 1383 O LYS A 91 1.231 -5.004 6.609 1.00 0.00 O ATOM 1384 CB LYS A 91 0.305 -2.905 8.727 1.00 0.00 C ATOM 1385 CG LYS A 91 -0.827 -2.166 9.470 1.00 0.00 C ATOM 1386 CD LYS A 91 -0.747 -0.631 9.394 1.00 0.00 C ATOM 1387 CE LYS A 91 0.015 0.008 10.562 1.00 0.00 C ATOM 1388 NZ LYS A 91 -0.784 0.009 11.815 1.00 0.00 N ATOM 0 H LYS A 91 -1.678 -3.731 7.492 1.00 0.00 H new ATOM 0 HA LYS A 91 0.345 -1.882 6.823 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.319 -3.940 9.068 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.255 -2.459 9.022 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.784 -2.488 9.059 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.813 -2.466 10.518 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.264 -0.348 8.459 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.758 -0.225 9.366 1.00 0.00 H new ATOM 0 HE2 LYS A 91 0.946 -0.534 10.727 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.283 1.032 10.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -0.344 0.648 12.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -1.751 0.333 11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -0.818 -0.954 12.206 1.00 0.00 H new ATOM 1402 N ALA A 92 2.475 -3.192 6.181 1.00 0.00 N ATOM 1403 CA ALA A 92 3.635 -3.944 5.673 1.00 0.00 C ATOM 1404 C ALA A 92 4.424 -4.691 6.778 1.00 0.00 C ATOM 1405 O ALA A 92 5.363 -5.436 6.486 1.00 0.00 O ATOM 1406 CB ALA A 92 4.523 -3.001 4.855 1.00 0.00 C ATOM 0 H ALA A 92 2.608 -2.181 6.175 1.00 0.00 H new ATOM 0 HA ALA A 92 3.263 -4.739 5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.384 -3.550 4.475 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.952 -2.598 4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.865 -2.183 5.488 1.00 0.00 H new ATOM 1412 N SER A 93 4.039 -4.510 8.044 1.00 0.00 N ATOM 1413 CA SER A 93 4.486 -5.267 9.222 1.00 0.00 C ATOM 1414 C SER A 93 3.663 -6.547 9.475 1.00 0.00 C ATOM 1415 O SER A 93 4.005 -7.330 10.365 1.00 0.00 O ATOM 1416 CB SER A 93 4.420 -4.340 10.443 1.00 0.00 C ATOM 1417 OG SER A 93 3.110 -3.820 10.600 1.00 0.00 O ATOM 0 H SER A 93 3.365 -3.786 8.292 1.00 0.00 H new ATOM 0 HA SER A 93 5.507 -5.602 9.039 1.00 0.00 H new ATOM 0 HB2 SER A 93 4.710 -4.888 11.339 1.00 0.00 H new ATOM 0 HB3 SER A 93 5.131 -3.522 10.325 1.00 0.00 H new ATOM 0 HG SER A 93 3.159 -2.919 10.982 1.00 0.00 H new ATOM 1423 N ALA A 94 2.593 -6.774 8.703 1.00 0.00 N ATOM 1424 CA ALA A 94 1.632 -7.871 8.852 1.00 0.00 C ATOM 1425 C ALA A 94 1.299 -8.551 7.502 1.00 0.00 C ATOM 1426 O ALA A 94 1.781 -8.141 6.442 1.00 0.00 O ATOM 1427 CB ALA A 94 0.380 -7.292 9.529 1.00 0.00 C ATOM 0 H ALA A 94 2.363 -6.165 7.917 1.00 0.00 H new ATOM 0 HA ALA A 94 2.063 -8.661 9.466 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.361 -8.080 9.658 1.00 0.00 H new ATOM 0 HB2 ALA A 94 0.649 -6.884 10.503 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.037 -6.500 8.907 1.00 0.00 H new ATOM 1433 N HIS A 95 0.460 -9.596 7.543 1.00 0.00 N ATOM 1434 CA HIS A 95 -0.026 -10.330 6.361 1.00 0.00 C ATOM 1435 C HIS A 95 -1.555 -10.280 6.259 1.00 0.00 C ATOM 1436 O HIS A 95 -2.092 -9.561 5.414 1.00 0.00 O ATOM 1437 CB HIS A 95 0.529 -11.765 6.357 1.00 0.00 C ATOM 1438 CG HIS A 95 2.033 -11.824 6.239 1.00 0.00 C ATOM 1439 ND1 HIS A 95 2.754 -11.856 5.041 1.00 0.00 N ATOM 1440 CD2 HIS A 95 2.913 -11.845 7.283 1.00 0.00 C ATOM 1441 CE1 HIS A 95 4.051 -11.892 5.391 1.00 0.00 C ATOM 1442 NE2 HIS A 95 4.175 -11.887 6.731 1.00 0.00 N ATOM 0 H HIS A 95 0.090 -9.965 8.419 1.00 0.00 H new ATOM 0 HA HIS A 95 0.350 -9.838 5.464 1.00 0.00 H new ATOM 0 HB2 HIS A 95 0.224 -12.268 7.275 1.00 0.00 H new ATOM 0 HB3 HIS A 95 0.085 -12.317 5.528 1.00 0.00 H new ATOM 0 HD2 HIS A 95 2.668 -11.831 8.335 1.00 0.00 H new ATOM 0 HE1 HIS A 95 4.877 -11.921 4.695 1.00 0.00 H new ATOM 0 HE2 HIS A 95 5.053 -11.910 7.250 1.00 0.00 H new ATOM 1450 N ASN A 96 -2.267 -10.965 7.159 1.00 0.00 N ATOM 1451 CA ASN A 96 -3.734 -10.987 7.241 1.00 0.00 C ATOM 1452 C ASN A 96 -4.215 -11.018 8.711 1.00 0.00 C ATOM 1453 O ASN A 96 -3.449 -11.374 9.613 1.00 0.00 O ATOM 1454 CB ASN A 96 -4.246 -12.194 6.424 1.00 0.00 C ATOM 1455 CG ASN A 96 -5.734 -12.142 6.111 1.00 0.00 C ATOM 1456 OD1 ASN A 96 -6.387 -11.112 6.212 1.00 0.00 O ATOM 1457 ND2 ASN A 96 -6.317 -13.242 5.697 1.00 0.00 N ATOM 0 H ASN A 96 -1.824 -11.540 7.876 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.148 -10.073 6.816 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.690 -12.249 5.488 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -4.033 -13.110 6.975 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -7.309 -13.236 5.461 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -5.778 -14.104 5.611 1.00 0.00 H new ATOM 1464 N LYS A 97 -5.478 -10.650 8.964 1.00 0.00 N ATOM 1465 CA LYS A 97 -6.078 -10.600 10.310 1.00 0.00 C ATOM 1466 C LYS A 97 -6.323 -12.012 10.872 1.00 0.00 C ATOM 1467 O LYS A 97 -6.859 -12.873 10.171 1.00 0.00 O ATOM 1468 CB LYS A 97 -7.369 -9.758 10.263 1.00 0.00 C ATOM 1469 CG LYS A 97 -7.852 -9.385 11.674 1.00 0.00 C ATOM 1470 CD LYS A 97 -9.165 -8.587 11.693 1.00 0.00 C ATOM 1471 CE LYS A 97 -10.363 -9.449 11.269 1.00 0.00 C ATOM 1472 NZ LYS A 97 -11.653 -8.743 11.487 1.00 0.00 N ATOM 0 H LYS A 97 -6.126 -10.373 8.227 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.379 -10.120 10.995 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -7.191 -8.850 9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -8.150 -10.316 9.746 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.985 -10.298 12.255 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.077 -8.801 12.170 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.337 -8.194 12.695 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.079 -7.730 11.025 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.266 -9.714 10.216 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -10.358 -10.381 11.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -12.198 -9.236 12.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.467 -7.766 11.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.197 -8.733 10.601 1.00 0.00 H new ATOM 1486 N ASN A 98 -5.951 -12.240 12.135 1.00 0.00 N ATOM 1487 CA ASN A 98 -6.029 -13.550 12.803 1.00 0.00 C ATOM 1488 C ASN A 98 -7.212 -13.694 13.788 1.00 0.00 C ATOM 1489 O ASN A 98 -7.671 -14.813 14.027 1.00 0.00 O ATOM 1490 CB ASN A 98 -4.670 -13.796 13.486 1.00 0.00 C ATOM 1491 CG ASN A 98 -4.559 -15.183 14.103 1.00 0.00 C ATOM 1492 OD1 ASN A 98 -4.631 -15.362 15.311 1.00 0.00 O ATOM 1493 ND2 ASN A 98 -4.372 -16.208 13.300 1.00 0.00 N ATOM 0 H ASN A 98 -5.579 -11.506 12.737 1.00 0.00 H new ATOM 0 HA ASN A 98 -6.233 -14.313 12.052 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -3.873 -13.664 12.755 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -4.518 -13.046 14.262 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -4.287 -17.149 13.685 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -4.312 -16.062 12.292 1.00 0.00 H new ATOM 1500 N LEU A 99 -7.714 -12.585 14.348 1.00 0.00 N ATOM 1501 CA LEU A 99 -8.777 -12.540 15.368 1.00 0.00 C ATOM 1502 C LEU A 99 -9.857 -11.499 15.022 1.00 0.00 C ATOM 1503 O LEU A 99 -9.602 -10.542 14.290 1.00 0.00 O ATOM 1504 CB LEU A 99 -8.155 -12.226 16.747 1.00 0.00 C ATOM 1505 CG LEU A 99 -7.193 -13.292 17.307 1.00 0.00 C ATOM 1506 CD1 LEU A 99 -6.563 -12.781 18.603 1.00 0.00 C ATOM 1507 CD2 LEU A 99 -7.900 -14.613 17.620 1.00 0.00 C ATOM 0 H LEU A 99 -7.379 -11.656 14.094 1.00 0.00 H new ATOM 0 HA LEU A 99 -9.262 -13.516 15.396 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -7.618 -11.280 16.675 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -8.963 -12.080 17.464 1.00 0.00 H new ATOM 0 HG LEU A 99 -6.441 -13.474 16.539 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.883 -13.535 18.999 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.010 -11.863 18.402 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.346 -12.580 19.334 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.177 -15.329 18.011 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -8.679 -14.442 18.362 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.348 -15.011 16.709 1.00 0.00 H new ATOM 1519 N SER A 100 -11.064 -11.667 15.569 1.00 0.00 N ATOM 1520 CA SER A 100 -12.188 -10.728 15.413 1.00 0.00 C ATOM 1521 C SER A 100 -13.117 -10.731 16.640 1.00 0.00 C ATOM 1522 O SER A 100 -13.047 -11.634 17.480 1.00 0.00 O ATOM 1523 CB SER A 100 -12.978 -11.070 14.144 1.00 0.00 C ATOM 1524 OG SER A 100 -13.661 -9.915 13.681 1.00 0.00 O ATOM 0 H SER A 100 -11.296 -12.476 16.146 1.00 0.00 H new ATOM 0 HA SER A 100 -11.774 -9.724 15.325 1.00 0.00 H new ATOM 0 HB2 SER A 100 -12.303 -11.439 13.372 1.00 0.00 H new ATOM 0 HB3 SER A 100 -13.691 -11.868 14.352 1.00 0.00 H new ATOM 0 HG SER A 100 -14.164 -10.136 12.869 1.00 0.00 H new ATOM 1530 N GLY A 101 -13.989 -9.726 16.754 1.00 0.00 N ATOM 1531 CA GLY A 101 -14.923 -9.559 17.876 1.00 0.00 C ATOM 1532 C GLY A 101 -15.861 -8.345 17.742 1.00 0.00 C ATOM 1533 O GLY A 101 -15.769 -7.599 16.758 1.00 0.00 O ATOM 0 H GLY A 101 -14.069 -8.988 16.054 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -15.527 -10.462 17.969 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -14.351 -9.462 18.799 1.00 0.00 H new ATOM 1537 N PRO A 102 -16.773 -8.137 18.712 1.00 0.00 N ATOM 1538 CA PRO A 102 -17.738 -7.035 18.710 1.00 0.00 C ATOM 1539 C PRO A 102 -17.086 -5.664 18.975 1.00 0.00 C ATOM 1540 O PRO A 102 -15.992 -5.565 19.539 1.00 0.00 O ATOM 1541 CB PRO A 102 -18.760 -7.400 19.794 1.00 0.00 C ATOM 1542 CG PRO A 102 -17.928 -8.198 20.798 1.00 0.00 C ATOM 1543 CD PRO A 102 -16.960 -8.966 19.898 1.00 0.00 C ATOM 0 HA PRO A 102 -18.201 -6.923 17.730 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -19.199 -6.512 20.249 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -19.582 -7.992 19.391 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -17.402 -7.547 21.496 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -18.547 -8.870 21.393 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -16.011 -9.142 20.405 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -17.365 -9.942 19.632 1.00 0.00 H new ATOM 1551 N SER A 103 -17.787 -4.590 18.599 1.00 0.00 N ATOM 1552 CA SER A 103 -17.310 -3.197 18.712 1.00 0.00 C ATOM 1553 C SER A 103 -17.260 -2.656 20.153 1.00 0.00 C ATOM 1554 O SER A 103 -16.606 -1.641 20.405 1.00 0.00 O ATOM 1555 CB SER A 103 -18.196 -2.273 17.864 1.00 0.00 C ATOM 1556 OG SER A 103 -18.266 -2.731 16.519 1.00 0.00 O ATOM 0 H SER A 103 -18.722 -4.660 18.198 1.00 0.00 H new ATOM 0 HA SER A 103 -16.282 -3.209 18.348 1.00 0.00 H new ATOM 0 HB2 SER A 103 -19.198 -2.231 18.291 1.00 0.00 H new ATOM 0 HB3 SER A 103 -17.797 -1.259 17.887 1.00 0.00 H new ATOM 0 HG SER A 103 -18.837 -2.129 15.998 1.00 0.00 H new ATOM 1562 N SER A 104 -17.942 -3.312 21.099 1.00 0.00 N ATOM 1563 CA SER A 104 -17.960 -2.978 22.533 1.00 0.00 C ATOM 1564 C SER A 104 -18.185 -4.231 23.401 1.00 0.00 C ATOM 1565 O SER A 104 -18.643 -5.266 22.902 1.00 0.00 O ATOM 1566 CB SER A 104 -19.048 -1.930 22.806 1.00 0.00 C ATOM 1567 OG SER A 104 -18.870 -1.352 24.089 1.00 0.00 O ATOM 0 H SER A 104 -18.521 -4.123 20.880 1.00 0.00 H new ATOM 0 HA SER A 104 -16.987 -2.566 22.802 1.00 0.00 H new ATOM 0 HB2 SER A 104 -19.013 -1.153 22.042 1.00 0.00 H new ATOM 0 HB3 SER A 104 -20.032 -2.394 22.743 1.00 0.00 H new ATOM 0 HG SER A 104 -19.570 -0.685 24.247 1.00 0.00 H new ATOM 1573 N GLY A 105 -17.849 -4.146 24.695 1.00 0.00 N ATOM 1574 CA GLY A 105 -17.976 -5.229 25.689 1.00 0.00 C ATOM 1575 C GLY A 105 -19.424 -5.554 26.070 1.00 0.00 C ATOM 1576 O GLY A 105 -19.812 -6.740 25.974 1.00 0.00 O ATOM 1577 OXT GLY A 105 -20.152 -4.631 26.499 1.00 0.00 O ATOM 0 H GLY A 105 -17.466 -3.290 25.097 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -17.504 -6.129 25.294 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -17.428 -4.950 26.589 1.00 0.00 H new TER 1581 GLY A 105