USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 847 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 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 28 ASN : amide:sc= -1.8 X(o=-1.8,f=-1.3) USER MOD Set 2.1: A 21 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 24 SER OG : rot 180:sc= -1.03 USER MOD Single : A 1 GLY N :NH3+ -113:sc= 0.0269 (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 8 SER OG : rot 174:sc= 0.412 USER MOD Single : A 13 SER OG : rot 180:sc= 0.0295 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 80:sc= -0.416 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc=0.000372 USER MOD Single : A 54 HIS : no HE2:sc= -2.56! C(o=-2.6!,f=-4.3!) USER MOD Single : A 60 GLN : amide:sc= -0.0116 K(o=-0.012,f=-1.2) USER MOD Single : A 64 MET CE :methyl -167:sc= 0 (180deg=-0.0657) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-3.3!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 57:sc= 0.651 USER MOD Single : A 83 TYR OH : rot 180:sc= 0.278 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0998 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 HIS : no HD1:sc= -0.423 X(o=-0.42,f=-0.03) USER MOD Single : A 95 LYS NZ :NH3+ 156:sc= -0.0611 (180deg=-0.378) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.702 K(o=-0.7,f=-5.6!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00794 USER MOD Single : A 105 THR OG1 : rot 162:sc= 1.93 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= -0.0422 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.623 -11.863 17.815 1.00 0.00 N ATOM 2 CA GLY A 1 -15.400 -12.603 16.587 1.00 0.00 C ATOM 3 C GLY A 1 -16.646 -12.687 15.727 1.00 0.00 C ATOM 4 O GLY A 1 -17.764 -12.688 16.240 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.075 -10.979 17.792 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.635 -11.640 17.907 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.320 -12.438 18.627 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -14.601 -12.126 16.019 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.061 -13.610 16.830 1.00 0.00 H new ATOM 8 N SER A 2 -16.452 -12.757 14.413 1.00 0.00 N ATOM 9 CA SER A 2 -17.569 -12.836 13.479 1.00 0.00 C ATOM 10 C SER A 2 -17.868 -14.286 13.111 1.00 0.00 C ATOM 11 O SER A 2 -17.153 -15.201 13.519 1.00 0.00 O ATOM 12 CB SER A 2 -17.263 -12.030 12.216 1.00 0.00 C ATOM 13 OG SER A 2 -16.958 -10.682 12.532 1.00 0.00 O ATOM 0 H SER A 2 -15.532 -12.761 13.972 1.00 0.00 H new ATOM 0 HA SER A 2 -18.448 -12.414 13.966 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.424 -12.482 11.687 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.120 -12.064 11.543 1.00 0.00 H new ATOM 0 HG SER A 2 -16.764 -10.189 11.708 1.00 0.00 H new ATOM 19 N SER A 3 -18.930 -14.487 12.337 1.00 0.00 N ATOM 20 CA SER A 3 -19.326 -15.826 11.916 1.00 0.00 C ATOM 21 C SER A 3 -18.433 -16.326 10.785 1.00 0.00 C ATOM 22 O SER A 3 -18.782 -16.220 9.610 1.00 0.00 O ATOM 23 CB SER A 3 -20.789 -15.829 11.466 1.00 0.00 C ATOM 24 OG SER A 3 -21.358 -17.120 11.594 1.00 0.00 O ATOM 0 H SER A 3 -19.531 -13.740 11.989 1.00 0.00 H new ATOM 0 HA SER A 3 -19.213 -16.497 12.768 1.00 0.00 H new ATOM 0 HB2 SER A 3 -21.358 -15.116 12.063 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.855 -15.500 10.429 1.00 0.00 H new ATOM 0 HG SER A 3 -22.293 -17.096 11.302 1.00 0.00 H new ATOM 30 N GLY A 4 -17.277 -16.873 11.150 1.00 0.00 N ATOM 31 CA GLY A 4 -16.351 -17.382 10.156 1.00 0.00 C ATOM 32 C GLY A 4 -15.254 -18.232 10.767 1.00 0.00 C ATOM 33 O GLY A 4 -15.526 -19.133 11.560 1.00 0.00 O ATOM 0 H GLY A 4 -16.966 -16.972 12.116 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.899 -17.974 9.423 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.902 -16.546 9.620 1.00 0.00 H new ATOM 37 N SER A 5 -14.010 -17.945 10.396 1.00 0.00 N ATOM 38 CA SER A 5 -12.868 -18.693 10.909 1.00 0.00 C ATOM 39 C SER A 5 -11.615 -17.822 10.935 1.00 0.00 C ATOM 40 O SER A 5 -11.425 -16.964 10.074 1.00 0.00 O ATOM 41 CB SER A 5 -12.621 -19.937 10.054 1.00 0.00 C ATOM 42 OG SER A 5 -12.135 -19.585 8.770 1.00 0.00 O ATOM 0 H SER A 5 -13.768 -17.200 9.742 1.00 0.00 H new ATOM 0 HA SER A 5 -13.096 -19.002 11.929 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.903 -20.588 10.552 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.547 -20.503 9.953 1.00 0.00 H new ATOM 0 HG SER A 5 -11.983 -20.398 8.244 1.00 0.00 H new ATOM 48 N SER A 6 -10.764 -18.051 11.929 1.00 0.00 N ATOM 49 CA SER A 6 -9.530 -17.286 12.071 1.00 0.00 C ATOM 50 C SER A 6 -8.313 -18.158 11.779 1.00 0.00 C ATOM 51 O SER A 6 -8.254 -19.317 12.186 1.00 0.00 O ATOM 52 CB SER A 6 -9.427 -16.701 13.481 1.00 0.00 C ATOM 53 OG SER A 6 -9.442 -17.725 14.460 1.00 0.00 O ATOM 0 H SER A 6 -10.906 -18.760 12.648 1.00 0.00 H new ATOM 0 HA SER A 6 -9.552 -16.471 11.348 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.509 -16.121 13.571 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.256 -16.015 13.655 1.00 0.00 H new ATOM 0 HG SER A 6 -9.373 -17.326 15.352 1.00 0.00 H new ATOM 59 N GLY A 7 -7.342 -17.591 11.069 1.00 0.00 N ATOM 60 CA GLY A 7 -6.139 -18.330 10.734 1.00 0.00 C ATOM 61 C GLY A 7 -5.487 -17.829 9.461 1.00 0.00 C ATOM 62 O GLY A 7 -5.609 -18.454 8.407 1.00 0.00 O ATOM 0 H GLY A 7 -7.367 -16.633 10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.428 -18.254 11.557 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.384 -19.386 10.622 1.00 0.00 H new ATOM 66 N SER A 8 -4.795 -16.699 9.557 1.00 0.00 N ATOM 67 CA SER A 8 -4.126 -16.112 8.402 1.00 0.00 C ATOM 68 C SER A 8 -2.659 -15.826 8.711 1.00 0.00 C ATOM 69 O SER A 8 -2.331 -14.819 9.338 1.00 0.00 O ATOM 70 CB SER A 8 -4.831 -14.822 7.978 1.00 0.00 C ATOM 71 OG SER A 8 -4.904 -13.904 9.056 1.00 0.00 O ATOM 0 H SER A 8 -4.683 -16.171 10.423 1.00 0.00 H new ATOM 0 HA SER A 8 -4.174 -16.829 7.583 1.00 0.00 H new ATOM 0 HB2 SER A 8 -4.295 -14.368 7.145 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.836 -15.052 7.623 1.00 0.00 H new ATOM 0 HG SER A 8 -5.271 -13.053 8.737 1.00 0.00 H new ATOM 77 N ARG A 9 -1.782 -16.719 8.266 1.00 0.00 N ATOM 78 CA ARG A 9 -0.350 -16.565 8.495 1.00 0.00 C ATOM 79 C ARG A 9 0.100 -15.142 8.178 1.00 0.00 C ATOM 80 O ARG A 9 0.618 -14.423 9.033 1.00 0.00 O ATOM 81 CB ARG A 9 0.435 -17.562 7.642 1.00 0.00 C ATOM 82 CG ARG A 9 0.766 -18.856 8.368 1.00 0.00 C ATOM 83 CD ARG A 9 1.957 -18.684 9.298 1.00 0.00 C ATOM 84 NE ARG A 9 3.213 -18.563 8.563 1.00 0.00 N ATOM 85 CZ ARG A 9 4.368 -18.234 9.131 1.00 0.00 C ATOM 86 NH1 ARG A 9 4.426 -17.995 10.434 1.00 0.00 N ATOM 87 NH2 ARG A 9 5.469 -18.144 8.395 1.00 0.00 N ATOM 0 H ARG A 9 -2.038 -17.557 7.744 1.00 0.00 H new ATOM 0 HA ARG A 9 -0.152 -16.765 9.548 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -0.142 -17.795 6.747 1.00 0.00 H new ATOM 0 HB3 ARG A 9 1.362 -17.094 7.311 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -0.101 -19.184 8.942 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.981 -19.638 7.640 1.00 0.00 H new ATOM 0 HD2 ARG A 9 1.811 -17.797 9.914 1.00 0.00 H new ATOM 0 HD3 ARG A 9 2.014 -19.536 9.975 1.00 0.00 H new ATOM 0 HE ARG A 9 3.203 -18.741 7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 9 3.582 -18.064 11.003 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.314 -17.743 10.867 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.429 -18.327 7.392 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.355 -17.891 8.832 1.00 0.00 H new ATOM 101 N PRO A 10 -0.100 -14.724 6.919 1.00 0.00 N ATOM 102 CA PRO A 10 0.279 -13.385 6.460 1.00 0.00 C ATOM 103 C PRO A 10 -0.599 -12.295 7.065 1.00 0.00 C ATOM 104 O PRO A 10 -1.806 -12.253 6.827 1.00 0.00 O ATOM 105 CB PRO A 10 0.072 -13.458 4.945 1.00 0.00 C ATOM 106 CG PRO A 10 -0.950 -14.525 4.753 1.00 0.00 C ATOM 107 CD PRO A 10 -0.712 -15.528 5.848 1.00 0.00 C ATOM 0 HA PRO A 10 1.296 -13.126 6.753 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -0.272 -12.504 4.546 1.00 0.00 H new ATOM 0 HB3 PRO A 10 1.001 -13.702 4.430 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -1.958 -14.115 4.812 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -0.851 -14.988 3.771 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -1.642 -15.993 6.176 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -0.052 -16.331 5.521 1.00 0.00 H new ATOM 115 N ARG A 11 0.015 -11.414 7.848 1.00 0.00 N ATOM 116 CA ARG A 11 -0.712 -10.324 8.488 1.00 0.00 C ATOM 117 C ARG A 11 -0.028 -8.986 8.223 1.00 0.00 C ATOM 118 O ARG A 11 1.167 -8.934 7.929 1.00 0.00 O ATOM 119 CB ARG A 11 -0.815 -10.566 9.995 1.00 0.00 C ATOM 120 CG ARG A 11 -1.600 -11.816 10.358 1.00 0.00 C ATOM 121 CD ARG A 11 -3.082 -11.515 10.524 1.00 0.00 C ATOM 122 NE ARG A 11 -3.716 -12.404 11.492 1.00 0.00 N ATOM 123 CZ ARG A 11 -3.619 -12.248 12.808 1.00 0.00 C ATOM 124 NH1 ARG A 11 -2.917 -11.241 13.309 1.00 0.00 N ATOM 125 NH2 ARG A 11 -4.226 -13.099 13.625 1.00 0.00 N ATOM 0 H ARG A 11 1.014 -11.434 8.054 1.00 0.00 H new ATOM 0 HA ARG A 11 -1.715 -10.291 8.063 1.00 0.00 H new ATOM 0 HB2 ARG A 11 0.189 -10.644 10.412 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.288 -9.702 10.462 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -1.465 -12.570 9.582 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -1.207 -12.238 11.283 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -3.208 -10.481 10.845 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.582 -11.613 9.560 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.264 -13.189 11.139 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -2.450 -10.584 12.684 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -2.844 -11.123 14.320 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -4.768 -13.874 13.243 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.151 -12.978 14.635 1.00 0.00 H new ATOM 139 N LEU A 12 -0.794 -7.905 8.329 1.00 0.00 N ATOM 140 CA LEU A 12 -0.263 -6.566 8.100 1.00 0.00 C ATOM 141 C LEU A 12 0.511 -6.072 9.318 1.00 0.00 C ATOM 142 O LEU A 12 0.339 -6.583 10.424 1.00 0.00 O ATOM 143 CB LEU A 12 -1.399 -5.594 7.775 1.00 0.00 C ATOM 144 CG LEU A 12 -1.896 -5.602 6.329 1.00 0.00 C ATOM 145 CD1 LEU A 12 -3.343 -5.141 6.259 1.00 0.00 C ATOM 146 CD2 LEU A 12 -1.011 -4.724 5.456 1.00 0.00 C ATOM 0 H LEU A 12 -1.784 -7.930 8.572 1.00 0.00 H new ATOM 0 HA LEU A 12 0.421 -6.613 7.252 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.241 -5.819 8.429 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.068 -4.585 8.019 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.844 -6.624 5.953 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.679 -5.153 5.222 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.967 -5.811 6.851 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.422 -4.128 6.654 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.380 -4.742 4.430 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.031 -3.701 5.831 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.012 -5.100 5.480 1.00 0.00 H new ATOM 158 N SER A 13 1.363 -5.073 9.106 1.00 0.00 N ATOM 159 CA SER A 13 2.165 -4.511 10.186 1.00 0.00 C ATOM 160 C SER A 13 1.564 -3.199 10.682 1.00 0.00 C ATOM 161 O SER A 13 0.512 -2.769 10.211 1.00 0.00 O ATOM 162 CB SER A 13 3.603 -4.282 9.717 1.00 0.00 C ATOM 163 OG SER A 13 4.503 -4.284 10.811 1.00 0.00 O ATOM 0 H SER A 13 1.515 -4.637 8.197 1.00 0.00 H new ATOM 0 HA SER A 13 2.170 -5.224 11.011 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.886 -5.060 9.008 1.00 0.00 H new ATOM 0 HB3 SER A 13 3.669 -3.331 9.189 1.00 0.00 H new ATOM 0 HG SER A 13 5.415 -4.137 10.484 1.00 0.00 H new ATOM 169 N GLN A 14 2.242 -2.569 11.636 1.00 0.00 N ATOM 170 CA GLN A 14 1.776 -1.306 12.197 1.00 0.00 C ATOM 171 C GLN A 14 1.662 -0.238 11.114 1.00 0.00 C ATOM 172 O GLN A 14 2.669 0.234 10.585 1.00 0.00 O ATOM 173 CB GLN A 14 2.724 -0.832 13.300 1.00 0.00 C ATOM 174 CG GLN A 14 4.165 -0.680 12.839 1.00 0.00 C ATOM 175 CD GLN A 14 5.140 -0.582 13.996 1.00 0.00 C ATOM 176 OE1 GLN A 14 5.261 0.464 14.634 1.00 0.00 O ATOM 177 NE2 GLN A 14 5.842 -1.674 14.273 1.00 0.00 N ATOM 0 H GLN A 14 3.115 -2.912 12.036 1.00 0.00 H new ATOM 0 HA GLN A 14 0.787 -1.471 12.624 1.00 0.00 H new ATOM 0 HB2 GLN A 14 2.371 0.125 13.685 1.00 0.00 H new ATOM 0 HB3 GLN A 14 2.689 -1.541 14.128 1.00 0.00 H new ATOM 0 HG2 GLN A 14 4.434 -1.531 12.213 1.00 0.00 H new ATOM 0 HG3 GLN A 14 4.252 0.212 12.219 1.00 0.00 H new ATOM 0 HE21 GLN A 14 5.710 -2.520 13.718 1.00 0.00 H new ATOM 0 HE22 GLN A 14 6.514 -1.667 15.041 1.00 0.00 H new ATOM 186 N LEU A 15 0.430 0.138 10.788 1.00 0.00 N ATOM 187 CA LEU A 15 0.185 1.151 9.767 1.00 0.00 C ATOM 188 C LEU A 15 0.296 2.554 10.354 1.00 0.00 C ATOM 189 O LEU A 15 -0.606 3.020 11.050 1.00 0.00 O ATOM 190 CB LEU A 15 -1.200 0.953 9.148 1.00 0.00 C ATOM 191 CG LEU A 15 -1.698 2.081 8.244 1.00 0.00 C ATOM 192 CD1 LEU A 15 -0.865 2.154 6.973 1.00 0.00 C ATOM 193 CD2 LEU A 15 -3.169 1.886 7.908 1.00 0.00 C ATOM 0 H LEU A 15 -0.414 -0.243 11.215 1.00 0.00 H new ATOM 0 HA LEU A 15 0.943 1.041 8.991 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.189 0.029 8.570 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.920 0.816 9.955 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.590 3.024 8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.234 2.963 6.342 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.177 2.342 7.231 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.940 1.210 6.434 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.506 2.698 7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.301 0.935 7.392 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.755 1.885 8.827 1.00 0.00 H new ATOM 205 N SER A 16 1.408 3.224 10.066 1.00 0.00 N ATOM 206 CA SER A 16 1.638 4.574 10.567 1.00 0.00 C ATOM 207 C SER A 16 1.473 5.602 9.452 1.00 0.00 C ATOM 208 O SER A 16 1.464 5.257 8.270 1.00 0.00 O ATOM 209 CB SER A 16 3.038 4.683 11.174 1.00 0.00 C ATOM 210 OG SER A 16 3.208 3.759 12.234 1.00 0.00 O ATOM 0 H SER A 16 2.163 2.854 9.489 1.00 0.00 H new ATOM 0 HA SER A 16 0.898 4.780 11.340 1.00 0.00 H new ATOM 0 HB2 SER A 16 3.787 4.499 10.404 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.201 5.696 11.541 1.00 0.00 H new ATOM 0 HG SER A 16 4.111 3.848 12.604 1.00 0.00 H new ATOM 216 N VAL A 17 1.343 6.868 9.837 1.00 0.00 N ATOM 217 CA VAL A 17 1.179 7.948 8.871 1.00 0.00 C ATOM 218 C VAL A 17 2.360 8.910 8.918 1.00 0.00 C ATOM 219 O VAL A 17 2.621 9.543 9.942 1.00 0.00 O ATOM 220 CB VAL A 17 -0.120 8.735 9.124 1.00 0.00 C ATOM 221 CG1 VAL A 17 -0.284 9.841 8.093 1.00 0.00 C ATOM 222 CG2 VAL A 17 -1.320 7.800 9.110 1.00 0.00 C ATOM 0 H VAL A 17 1.348 7.171 10.811 1.00 0.00 H new ATOM 0 HA VAL A 17 1.129 7.486 7.885 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.059 9.196 10.110 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.208 10.386 8.288 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.562 10.526 8.156 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.324 9.405 7.095 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.230 8.373 9.290 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.387 7.309 8.139 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.204 7.048 9.890 1.00 0.00 H new ATOM 232 N THR A 18 3.074 9.018 7.801 1.00 0.00 N ATOM 233 CA THR A 18 4.228 9.903 7.714 1.00 0.00 C ATOM 234 C THR A 18 4.008 10.994 6.672 1.00 0.00 C ATOM 235 O THR A 18 3.268 10.803 5.707 1.00 0.00 O ATOM 236 CB THR A 18 5.509 9.123 7.361 1.00 0.00 C ATOM 237 OG1 THR A 18 5.556 8.871 5.952 1.00 0.00 O ATOM 238 CG2 THR A 18 5.566 7.806 8.120 1.00 0.00 C ATOM 0 H THR A 18 2.872 8.503 6.944 1.00 0.00 H new ATOM 0 HA THR A 18 4.349 10.361 8.696 1.00 0.00 H new ATOM 0 HB THR A 18 6.369 9.728 7.650 1.00 0.00 H new ATOM 0 HG1 THR A 18 6.374 8.376 5.735 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.479 7.273 7.855 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.559 8.003 9.192 1.00 0.00 H new ATOM 0 HG23 THR A 18 4.701 7.197 7.858 1.00 0.00 H new ATOM 246 N ASP A 19 4.655 12.136 6.873 1.00 0.00 N ATOM 247 CA ASP A 19 4.531 13.258 5.949 1.00 0.00 C ATOM 248 C ASP A 19 3.156 13.909 6.066 1.00 0.00 C ATOM 249 O ASP A 19 2.612 14.417 5.085 1.00 0.00 O ATOM 250 CB ASP A 19 4.766 12.790 4.512 1.00 0.00 C ATOM 251 CG ASP A 19 5.388 13.869 3.647 1.00 0.00 C ATOM 252 OD1 ASP A 19 6.262 14.605 4.151 1.00 0.00 O ATOM 253 OD2 ASP A 19 5.000 13.978 2.464 1.00 0.00 O ATOM 0 H ASP A 19 5.271 12.310 7.667 1.00 0.00 H new ATOM 0 HA ASP A 19 5.287 13.998 6.211 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.416 11.915 4.519 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.817 12.479 4.074 1.00 0.00 H new ATOM 258 N VAL A 20 2.599 13.889 7.273 1.00 0.00 N ATOM 259 CA VAL A 20 1.287 14.478 7.519 1.00 0.00 C ATOM 260 C VAL A 20 1.172 15.853 6.872 1.00 0.00 C ATOM 261 O VAL A 20 1.704 16.839 7.382 1.00 0.00 O ATOM 262 CB VAL A 20 1.005 14.607 9.027 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.453 14.969 9.268 1.00 0.00 C ATOM 264 CG2 VAL A 20 1.369 13.319 9.750 1.00 0.00 C ATOM 0 H VAL A 20 3.035 13.472 8.095 1.00 0.00 H new ATOM 0 HA VAL A 20 0.550 13.808 7.075 1.00 0.00 H new ATOM 0 HB VAL A 20 1.625 15.409 9.427 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.634 15.056 10.339 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.677 15.920 8.784 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -1.094 14.191 8.854 1.00 0.00 H new ATOM 0 HG21 VAL A 20 1.163 13.429 10.815 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.777 12.497 9.349 1.00 0.00 H new ATOM 0 HG23 VAL A 20 2.428 13.107 9.605 1.00 0.00 H new ATOM 274 N THR A 21 0.472 15.913 5.743 1.00 0.00 N ATOM 275 CA THR A 21 0.287 17.167 5.024 1.00 0.00 C ATOM 276 C THR A 21 -0.923 17.930 5.552 1.00 0.00 C ATOM 277 O THR A 21 -1.784 17.361 6.226 1.00 0.00 O ATOM 278 CB THR A 21 0.109 16.928 3.513 1.00 0.00 C ATOM 279 OG1 THR A 21 0.893 15.803 3.099 1.00 0.00 O ATOM 280 CG2 THR A 21 0.519 18.158 2.718 1.00 0.00 C ATOM 0 H THR A 21 0.024 15.107 5.307 1.00 0.00 H new ATOM 0 HA THR A 21 1.187 17.760 5.187 1.00 0.00 H new ATOM 0 HB THR A 21 -0.945 16.726 3.322 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.773 15.657 2.137 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.384 17.965 1.654 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.099 19.005 3.014 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.566 18.387 2.916 1.00 0.00 H new ATOM 288 N THR A 22 -0.985 19.221 5.242 1.00 0.00 N ATOM 289 CA THR A 22 -2.089 20.062 5.686 1.00 0.00 C ATOM 290 C THR A 22 -3.433 19.429 5.345 1.00 0.00 C ATOM 291 O THR A 22 -4.309 19.309 6.203 1.00 0.00 O ATOM 292 CB THR A 22 -2.019 21.463 5.050 1.00 0.00 C ATOM 293 OG1 THR A 22 -1.744 21.353 3.650 1.00 0.00 O ATOM 294 CG2 THR A 22 -0.944 22.307 5.718 1.00 0.00 C ATOM 0 H THR A 22 -0.283 19.707 4.685 1.00 0.00 H new ATOM 0 HA THR A 22 -1.999 20.157 6.768 1.00 0.00 H new ATOM 0 HB THR A 22 -2.983 21.951 5.193 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.703 22.248 3.253 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.913 23.292 5.252 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.172 22.414 6.778 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.025 21.821 5.603 1.00 0.00 H new ATOM 302 N SER A 23 -3.591 19.025 4.089 1.00 0.00 N ATOM 303 CA SER A 23 -4.830 18.406 3.634 1.00 0.00 C ATOM 304 C SER A 23 -4.564 17.023 3.048 1.00 0.00 C ATOM 305 O SER A 23 -5.389 16.479 2.313 1.00 0.00 O ATOM 306 CB SER A 23 -5.515 19.292 2.592 1.00 0.00 C ATOM 307 OG SER A 23 -4.641 19.579 1.513 1.00 0.00 O ATOM 0 H SER A 23 -2.876 19.115 3.368 1.00 0.00 H new ATOM 0 HA SER A 23 -5.489 18.295 4.495 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.409 18.794 2.217 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.840 20.222 3.058 1.00 0.00 H new ATOM 0 HG SER A 23 -5.103 20.145 0.860 1.00 0.00 H new ATOM 313 N SER A 24 -3.406 16.460 3.378 1.00 0.00 N ATOM 314 CA SER A 24 -3.028 15.142 2.881 1.00 0.00 C ATOM 315 C SER A 24 -2.027 14.475 3.819 1.00 0.00 C ATOM 316 O SER A 24 -1.637 15.046 4.838 1.00 0.00 O ATOM 317 CB SER A 24 -2.431 15.255 1.477 1.00 0.00 C ATOM 318 OG SER A 24 -1.822 16.519 1.282 1.00 0.00 O ATOM 0 H SER A 24 -2.714 16.896 3.987 1.00 0.00 H new ATOM 0 HA SER A 24 -3.926 14.526 2.838 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.694 14.466 1.327 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.213 15.106 0.733 1.00 0.00 H new ATOM 0 HG SER A 24 -1.447 16.565 0.378 1.00 0.00 H new ATOM 324 N LEU A 25 -1.616 13.261 3.469 1.00 0.00 N ATOM 325 CA LEU A 25 -0.660 12.514 4.279 1.00 0.00 C ATOM 326 C LEU A 25 -0.164 11.278 3.534 1.00 0.00 C ATOM 327 O LEU A 25 -0.560 11.028 2.395 1.00 0.00 O ATOM 328 CB LEU A 25 -1.299 12.101 5.606 1.00 0.00 C ATOM 329 CG LEU A 25 -2.807 11.848 5.575 1.00 0.00 C ATOM 330 CD1 LEU A 25 -3.124 10.612 4.747 1.00 0.00 C ATOM 331 CD2 LEU A 25 -3.352 11.700 6.988 1.00 0.00 C ATOM 0 H LEU A 25 -1.930 12.773 2.630 1.00 0.00 H new ATOM 0 HA LEU A 25 0.193 13.162 4.480 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.806 11.195 5.957 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.096 12.879 6.342 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.291 12.706 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.201 10.448 4.736 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.769 10.757 3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.629 9.745 5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.426 11.521 6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.862 10.860 7.481 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.158 12.613 7.550 1.00 0.00 H new ATOM 343 N ARG A 26 0.702 10.509 4.185 1.00 0.00 N ATOM 344 CA ARG A 26 1.251 9.299 3.585 1.00 0.00 C ATOM 345 C ARG A 26 1.156 8.122 4.552 1.00 0.00 C ATOM 346 O ARG A 26 1.263 8.292 5.767 1.00 0.00 O ATOM 347 CB ARG A 26 2.708 9.523 3.178 1.00 0.00 C ATOM 348 CG ARG A 26 3.183 8.587 2.077 1.00 0.00 C ATOM 349 CD ARG A 26 4.690 8.389 2.127 1.00 0.00 C ATOM 350 NE ARG A 26 5.408 9.482 1.478 1.00 0.00 N ATOM 351 CZ ARG A 26 6.726 9.504 1.318 1.00 0.00 C ATOM 352 NH1 ARG A 26 7.467 8.496 1.759 1.00 0.00 N ATOM 353 NH2 ARG A 26 7.307 10.534 0.717 1.00 0.00 N ATOM 0 H ARG A 26 1.039 10.702 5.128 1.00 0.00 H new ATOM 0 HA ARG A 26 0.665 9.065 2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.829 10.554 2.845 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.345 9.394 4.053 1.00 0.00 H new ATOM 0 HG2 ARG A 26 2.685 7.623 2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 26 2.900 8.993 1.106 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.011 8.311 3.166 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.948 7.448 1.642 1.00 0.00 H new ATOM 0 HE ARG A 26 4.867 10.273 1.128 1.00 0.00 H new ATOM 0 HH11 ARG A 26 7.024 7.702 2.222 1.00 0.00 H new ATOM 0 HH12 ARG A 26 8.479 8.515 1.635 1.00 0.00 H new ATOM 0 HH21 ARG A 26 6.741 11.311 0.377 1.00 0.00 H new ATOM 0 HH22 ARG A 26 8.320 10.549 0.595 1.00 0.00 H new ATOM 367 N LEU A 27 0.955 6.929 4.004 1.00 0.00 N ATOM 368 CA LEU A 27 0.846 5.722 4.817 1.00 0.00 C ATOM 369 C LEU A 27 1.997 4.764 4.528 1.00 0.00 C ATOM 370 O LEU A 27 2.638 4.847 3.481 1.00 0.00 O ATOM 371 CB LEU A 27 -0.490 5.026 4.554 1.00 0.00 C ATOM 372 CG LEU A 27 -1.716 5.652 5.221 1.00 0.00 C ATOM 373 CD1 LEU A 27 -2.995 5.128 4.586 1.00 0.00 C ATOM 374 CD2 LEU A 27 -1.709 5.375 6.717 1.00 0.00 C ATOM 0 H LEU A 27 0.864 6.771 3.000 1.00 0.00 H new ATOM 0 HA LEU A 27 0.897 6.015 5.866 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.659 5.003 3.477 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.409 3.991 4.886 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.676 6.731 5.071 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -3.857 5.584 5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.003 5.378 3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.043 4.045 4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.588 5.828 7.175 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.724 4.299 6.888 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.809 5.800 7.162 1.00 0.00 H new ATOM 386 N ASN A 28 2.252 3.854 5.462 1.00 0.00 N ATOM 387 CA ASN A 28 3.325 2.879 5.307 1.00 0.00 C ATOM 388 C ASN A 28 3.052 1.632 6.142 1.00 0.00 C ATOM 389 O ASN A 28 3.006 1.694 7.371 1.00 0.00 O ATOM 390 CB ASN A 28 4.666 3.495 5.713 1.00 0.00 C ATOM 391 CG ASN A 28 5.084 4.626 4.793 1.00 0.00 C ATOM 392 OD1 ASN A 28 5.686 4.397 3.744 1.00 0.00 O ATOM 393 ND2 ASN A 28 4.768 5.855 5.185 1.00 0.00 N ATOM 0 H ASN A 28 1.730 3.771 6.334 1.00 0.00 H new ATOM 0 HA ASN A 28 3.369 2.589 4.257 1.00 0.00 H new ATOM 0 HB2 ASN A 28 4.597 3.868 6.735 1.00 0.00 H new ATOM 0 HB3 ASN A 28 5.435 2.722 5.707 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.025 6.656 4.608 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.268 5.998 6.063 1.00 0.00 H new ATOM 400 N TRP A 29 2.873 0.502 5.467 1.00 0.00 N ATOM 401 CA TRP A 29 2.605 -0.760 6.147 1.00 0.00 C ATOM 402 C TRP A 29 3.515 -1.865 5.622 1.00 0.00 C ATOM 403 O TRP A 29 3.775 -1.949 4.423 1.00 0.00 O ATOM 404 CB TRP A 29 1.140 -1.160 5.965 1.00 0.00 C ATOM 405 CG TRP A 29 0.753 -1.361 4.531 1.00 0.00 C ATOM 406 CD1 TRP A 29 0.857 -2.516 3.809 1.00 0.00 C ATOM 407 CD2 TRP A 29 0.202 -0.380 3.646 1.00 0.00 C ATOM 408 NE1 TRP A 29 0.404 -2.311 2.527 1.00 0.00 N ATOM 409 CE2 TRP A 29 -0.004 -1.009 2.403 1.00 0.00 C ATOM 410 CE3 TRP A 29 -0.138 0.969 3.783 1.00 0.00 C ATOM 411 CZ2 TRP A 29 -0.534 -0.334 1.306 1.00 0.00 C ATOM 412 CZ3 TRP A 29 -0.664 1.637 2.694 1.00 0.00 C ATOM 413 CH2 TRP A 29 -0.858 0.985 1.469 1.00 0.00 C ATOM 0 H TRP A 29 2.909 0.434 4.450 1.00 0.00 H new ATOM 0 HA TRP A 29 2.807 -0.622 7.209 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.951 -2.080 6.517 1.00 0.00 H new ATOM 0 HB3 TRP A 29 0.504 -0.390 6.401 1.00 0.00 H new ATOM 0 HD1 TRP A 29 1.239 -3.452 4.189 1.00 0.00 H new ATOM 0 HE1 TRP A 29 0.376 -3.014 1.788 1.00 0.00 H new ATOM 0 HE3 TRP A 29 0.008 1.480 4.723 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -0.684 -0.834 0.361 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -0.930 2.679 2.789 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -1.272 1.535 0.637 1.00 0.00 H new ATOM 424 N GLU A 30 3.997 -2.709 6.529 1.00 0.00 N ATOM 425 CA GLU A 30 4.879 -3.808 6.156 1.00 0.00 C ATOM 426 C GLU A 30 4.097 -5.112 6.020 1.00 0.00 C ATOM 427 O GLU A 30 3.244 -5.426 6.849 1.00 0.00 O ATOM 428 CB GLU A 30 5.991 -3.974 7.193 1.00 0.00 C ATOM 429 CG GLU A 30 6.917 -5.146 6.912 1.00 0.00 C ATOM 430 CD GLU A 30 8.158 -5.131 7.783 1.00 0.00 C ATOM 431 OE1 GLU A 30 8.097 -5.665 8.910 1.00 0.00 O ATOM 432 OE2 GLU A 30 9.189 -4.586 7.338 1.00 0.00 O ATOM 0 H GLU A 30 3.792 -2.653 7.526 1.00 0.00 H new ATOM 0 HA GLU A 30 5.325 -3.569 5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.580 -3.058 7.231 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.541 -4.105 8.177 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.376 -6.078 7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.213 -5.127 5.863 1.00 0.00 H new ATOM 439 N ALA A 31 4.394 -5.866 4.966 1.00 0.00 N ATOM 440 CA ALA A 31 3.721 -7.135 4.721 1.00 0.00 C ATOM 441 C ALA A 31 4.670 -8.147 4.089 1.00 0.00 C ATOM 442 O ALA A 31 5.591 -7.794 3.351 1.00 0.00 O ATOM 443 CB ALA A 31 2.503 -6.924 3.833 1.00 0.00 C ATOM 0 H ALA A 31 5.096 -5.619 4.269 1.00 0.00 H new ATOM 0 HA ALA A 31 3.393 -7.535 5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 31 2.010 -7.880 3.658 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.809 -6.242 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.817 -6.498 2.880 1.00 0.00 H new ATOM 449 N PRO A 32 4.444 -9.436 4.384 1.00 0.00 N ATOM 450 CA PRO A 32 5.270 -10.526 3.854 1.00 0.00 C ATOM 451 C PRO A 32 5.067 -10.731 2.357 1.00 0.00 C ATOM 452 O PRO A 32 4.104 -10.246 1.764 1.00 0.00 O ATOM 453 CB PRO A 32 4.782 -11.750 4.633 1.00 0.00 C ATOM 454 CG PRO A 32 3.386 -11.415 5.031 1.00 0.00 C ATOM 455 CD PRO A 32 3.365 -9.929 5.256 1.00 0.00 C ATOM 0 HA PRO A 32 6.335 -10.326 3.971 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.813 -12.649 4.017 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.408 -11.939 5.505 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.679 -11.702 4.253 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.099 -11.951 5.936 1.00 0.00 H new ATOM 0 HD2 PRO A 32 2.402 -9.496 4.987 1.00 0.00 H new ATOM 0 HD3 PRO A 32 3.547 -9.678 6.301 1.00 0.00 H new ATOM 463 N PRO A 33 5.996 -11.468 1.729 1.00 0.00 N ATOM 464 CA PRO A 33 5.940 -11.755 0.293 1.00 0.00 C ATOM 465 C PRO A 33 4.803 -12.706 -0.065 1.00 0.00 C ATOM 466 O PRO A 33 4.682 -13.787 0.509 1.00 0.00 O ATOM 467 CB PRO A 33 7.294 -12.410 0.009 1.00 0.00 C ATOM 468 CG PRO A 33 7.711 -12.997 1.313 1.00 0.00 C ATOM 469 CD PRO A 33 7.171 -12.077 2.373 1.00 0.00 C ATOM 0 HA PRO A 33 5.754 -10.856 -0.295 1.00 0.00 H new ATOM 0 HB2 PRO A 33 7.209 -13.177 -0.761 1.00 0.00 H new ATOM 0 HB3 PRO A 33 8.020 -11.679 -0.347 1.00 0.00 H new ATOM 0 HG2 PRO A 33 7.314 -14.005 1.432 1.00 0.00 H new ATOM 0 HG3 PRO A 33 8.796 -13.072 1.378 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.897 -12.622 3.276 1.00 0.00 H new ATOM 0 HD3 PRO A 33 7.904 -11.325 2.664 1.00 0.00 H new ATOM 477 N GLY A 34 3.971 -12.295 -1.018 1.00 0.00 N ATOM 478 CA GLY A 34 2.855 -13.123 -1.435 1.00 0.00 C ATOM 479 C GLY A 34 1.750 -13.173 -0.398 1.00 0.00 C ATOM 480 O GLY A 34 1.061 -14.183 -0.264 1.00 0.00 O ATOM 0 H GLY A 34 4.050 -11.404 -1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.452 -12.739 -2.372 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.211 -14.134 -1.631 1.00 0.00 H new ATOM 484 N ALA A 35 1.583 -12.079 0.338 1.00 0.00 N ATOM 485 CA ALA A 35 0.554 -12.002 1.368 1.00 0.00 C ATOM 486 C ALA A 35 -0.806 -11.672 0.762 1.00 0.00 C ATOM 487 O ALA A 35 -1.813 -12.296 1.096 1.00 0.00 O ATOM 488 CB ALA A 35 0.933 -10.965 2.415 1.00 0.00 C ATOM 0 H ALA A 35 2.147 -11.234 0.240 1.00 0.00 H new ATOM 0 HA ALA A 35 0.481 -12.978 1.848 1.00 0.00 H new ATOM 0 HB1 ALA A 35 0.156 -10.918 3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.880 -11.244 2.878 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.035 -9.989 1.940 1.00 0.00 H new ATOM 494 N PHE A 36 -0.828 -10.688 -0.131 1.00 0.00 N ATOM 495 CA PHE A 36 -2.065 -10.275 -0.783 1.00 0.00 C ATOM 496 C PHE A 36 -1.793 -9.774 -2.198 1.00 0.00 C ATOM 497 O PHE A 36 -0.693 -9.313 -2.505 1.00 0.00 O ATOM 498 CB PHE A 36 -2.755 -9.180 0.034 1.00 0.00 C ATOM 499 CG PHE A 36 -2.706 -9.417 1.516 1.00 0.00 C ATOM 500 CD1 PHE A 36 -3.648 -10.225 2.133 1.00 0.00 C ATOM 501 CD2 PHE A 36 -1.718 -8.833 2.292 1.00 0.00 C ATOM 502 CE1 PHE A 36 -3.605 -10.444 3.497 1.00 0.00 C ATOM 503 CE2 PHE A 36 -1.670 -9.049 3.656 1.00 0.00 C ATOM 504 CZ PHE A 36 -2.614 -9.856 4.260 1.00 0.00 C ATOM 0 H PHE A 36 -0.003 -10.162 -0.420 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.722 -11.143 -0.844 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.286 -8.222 -0.188 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.796 -9.105 -0.280 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.424 -10.688 1.542 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.977 -8.201 1.825 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.346 -11.074 3.966 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.895 -8.587 4.249 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.578 -10.027 5.326 1.00 0.00 H new ATOM 514 N ASP A 37 -2.802 -9.868 -3.057 1.00 0.00 N ATOM 515 CA ASP A 37 -2.673 -9.424 -4.440 1.00 0.00 C ATOM 516 C ASP A 37 -2.684 -7.901 -4.525 1.00 0.00 C ATOM 517 O ASP A 37 -1.932 -7.307 -5.299 1.00 0.00 O ATOM 518 CB ASP A 37 -3.805 -10.003 -5.291 1.00 0.00 C ATOM 519 CG ASP A 37 -3.815 -9.441 -6.700 1.00 0.00 C ATOM 520 OD1 ASP A 37 -4.442 -8.382 -6.911 1.00 0.00 O ATOM 521 OD2 ASP A 37 -3.197 -10.062 -7.590 1.00 0.00 O ATOM 0 H ASP A 37 -3.718 -10.248 -2.820 1.00 0.00 H new ATOM 0 HA ASP A 37 -1.719 -9.784 -4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.704 -11.087 -5.336 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.761 -9.792 -4.812 1.00 0.00 H new ATOM 526 N SER A 38 -3.542 -7.274 -3.726 1.00 0.00 N ATOM 527 CA SER A 38 -3.654 -5.821 -3.715 1.00 0.00 C ATOM 528 C SER A 38 -4.028 -5.315 -2.325 1.00 0.00 C ATOM 529 O SER A 38 -4.212 -6.101 -1.395 1.00 0.00 O ATOM 530 CB SER A 38 -4.697 -5.360 -4.735 1.00 0.00 C ATOM 531 OG SER A 38 -5.813 -6.235 -4.753 1.00 0.00 O ATOM 0 H SER A 38 -4.170 -7.750 -3.078 1.00 0.00 H new ATOM 0 HA SER A 38 -2.683 -5.405 -3.985 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.027 -4.350 -4.492 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.247 -5.319 -5.727 1.00 0.00 H new ATOM 0 HG SER A 38 -6.466 -5.919 -5.411 1.00 0.00 H new ATOM 537 N PHE A 39 -4.138 -3.998 -2.191 1.00 0.00 N ATOM 538 CA PHE A 39 -4.489 -3.386 -0.914 1.00 0.00 C ATOM 539 C PHE A 39 -5.572 -2.327 -1.098 1.00 0.00 C ATOM 540 O PHE A 39 -5.380 -1.343 -1.814 1.00 0.00 O ATOM 541 CB PHE A 39 -3.252 -2.759 -0.268 1.00 0.00 C ATOM 542 CG PHE A 39 -2.425 -3.737 0.516 1.00 0.00 C ATOM 543 CD1 PHE A 39 -2.950 -4.374 1.629 1.00 0.00 C ATOM 544 CD2 PHE A 39 -1.121 -4.020 0.141 1.00 0.00 C ATOM 545 CE1 PHE A 39 -2.192 -5.275 2.352 1.00 0.00 C ATOM 546 CE2 PHE A 39 -0.358 -4.920 0.860 1.00 0.00 C ATOM 547 CZ PHE A 39 -0.894 -5.547 1.968 1.00 0.00 C ATOM 0 H PHE A 39 -3.989 -3.334 -2.950 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.876 -4.167 -0.259 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.632 -2.313 -1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.567 -1.950 0.392 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.964 -4.164 1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -0.696 -3.531 -0.723 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -2.614 -5.766 3.216 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.656 -5.133 0.556 1.00 0.00 H new ATOM 0 HZ PHE A 39 -0.299 -6.249 2.533 1.00 0.00 H new ATOM 557 N LEU A 40 -6.712 -2.536 -0.448 1.00 0.00 N ATOM 558 CA LEU A 40 -7.827 -1.600 -0.539 1.00 0.00 C ATOM 559 C LEU A 40 -7.929 -0.750 0.723 1.00 0.00 C ATOM 560 O LEU A 40 -8.344 -1.232 1.778 1.00 0.00 O ATOM 561 CB LEU A 40 -9.137 -2.358 -0.764 1.00 0.00 C ATOM 562 CG LEU A 40 -10.304 -1.534 -1.309 1.00 0.00 C ATOM 563 CD1 LEU A 40 -9.951 -0.939 -2.663 1.00 0.00 C ATOM 564 CD2 LEU A 40 -11.559 -2.389 -1.410 1.00 0.00 C ATOM 0 H LEU A 40 -6.888 -3.345 0.148 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.646 -0.939 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.944 -3.179 -1.454 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.443 -2.803 0.183 1.00 0.00 H new ATOM 0 HG LEU A 40 -10.501 -0.716 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.794 -0.356 -3.035 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.080 -0.292 -2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.727 -1.741 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.379 -1.786 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.375 -3.228 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.823 -2.766 -0.422 1.00 0.00 H new ATOM 576 N LEU A 41 -7.550 0.518 0.607 1.00 0.00 N ATOM 577 CA LEU A 41 -7.601 1.438 1.739 1.00 0.00 C ATOM 578 C LEU A 41 -8.838 2.327 1.663 1.00 0.00 C ATOM 579 O LEU A 41 -9.061 3.014 0.666 1.00 0.00 O ATOM 580 CB LEU A 41 -6.339 2.303 1.775 1.00 0.00 C ATOM 581 CG LEU A 41 -6.329 3.431 2.807 1.00 0.00 C ATOM 582 CD1 LEU A 41 -5.748 2.944 4.125 1.00 0.00 C ATOM 583 CD2 LEU A 41 -5.543 4.625 2.284 1.00 0.00 C ATOM 0 H LEU A 41 -7.204 0.933 -0.258 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.656 0.847 2.654 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.484 1.655 1.966 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.194 2.740 0.787 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.358 3.747 2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.749 3.761 4.847 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.352 2.121 4.507 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.726 2.601 3.967 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.546 5.418 3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -4.516 4.323 2.080 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.003 4.990 1.366 1.00 0.00 H new ATOM 595 N ARG A 42 -9.639 2.310 2.724 1.00 0.00 N ATOM 596 CA ARG A 42 -10.853 3.115 2.777 1.00 0.00 C ATOM 597 C ARG A 42 -10.752 4.179 3.866 1.00 0.00 C ATOM 598 O ARG A 42 -10.558 3.864 5.041 1.00 0.00 O ATOM 599 CB ARG A 42 -12.070 2.224 3.031 1.00 0.00 C ATOM 600 CG ARG A 42 -12.729 1.716 1.759 1.00 0.00 C ATOM 601 CD ARG A 42 -14.057 1.036 2.053 1.00 0.00 C ATOM 602 NE ARG A 42 -13.875 -0.300 2.614 1.00 0.00 N ATOM 603 CZ ARG A 42 -14.880 -1.123 2.894 1.00 0.00 C ATOM 604 NH1 ARG A 42 -16.131 -0.747 2.667 1.00 0.00 N ATOM 605 NH2 ARG A 42 -14.635 -2.323 3.403 1.00 0.00 N ATOM 0 H ARG A 42 -9.469 1.748 3.558 1.00 0.00 H new ATOM 0 HA ARG A 42 -10.971 3.614 1.815 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -11.765 1.371 3.638 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.804 2.783 3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.889 2.548 1.073 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -12.063 1.014 1.258 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -14.631 1.647 2.750 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -14.640 0.967 1.135 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.924 -0.619 2.801 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -16.323 0.176 2.277 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -16.901 -1.380 2.883 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.674 -2.615 3.580 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.408 -2.953 3.617 1.00 0.00 H new ATOM 619 N PHE A 43 -10.884 5.440 3.469 1.00 0.00 N ATOM 620 CA PHE A 43 -10.806 6.551 4.410 1.00 0.00 C ATOM 621 C PHE A 43 -12.150 7.266 4.520 1.00 0.00 C ATOM 622 O PHE A 43 -12.643 7.836 3.549 1.00 0.00 O ATOM 623 CB PHE A 43 -9.723 7.541 3.975 1.00 0.00 C ATOM 624 CG PHE A 43 -9.701 7.792 2.494 1.00 0.00 C ATOM 625 CD1 PHE A 43 -9.332 6.788 1.613 1.00 0.00 C ATOM 626 CD2 PHE A 43 -10.047 9.033 1.984 1.00 0.00 C ATOM 627 CE1 PHE A 43 -9.311 7.016 0.250 1.00 0.00 C ATOM 628 CE2 PHE A 43 -10.028 9.266 0.622 1.00 0.00 C ATOM 629 CZ PHE A 43 -9.658 8.257 -0.246 1.00 0.00 C ATOM 0 H PHE A 43 -11.046 5.718 2.501 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.548 6.148 5.389 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.877 8.487 4.494 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.749 7.162 4.286 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.058 5.816 1.996 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -10.335 9.826 2.658 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -9.024 6.225 -0.426 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.302 10.237 0.236 1.00 0.00 H new ATOM 0 HZ PHE A 43 -9.640 8.439 -1.310 1.00 0.00 H new ATOM 639 N GLY A 44 -12.737 7.229 5.713 1.00 0.00 N ATOM 640 CA GLY A 44 -14.018 7.876 5.929 1.00 0.00 C ATOM 641 C GLY A 44 -13.985 8.854 7.087 1.00 0.00 C ATOM 642 O GLY A 44 -13.170 8.720 8.000 1.00 0.00 O ATOM 0 H GLY A 44 -12.348 6.763 6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -14.314 8.402 5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -14.777 7.117 6.119 1.00 0.00 H new ATOM 646 N VAL A 45 -14.874 9.841 7.051 1.00 0.00 N ATOM 647 CA VAL A 45 -14.944 10.846 8.105 1.00 0.00 C ATOM 648 C VAL A 45 -15.773 10.350 9.283 1.00 0.00 C ATOM 649 O VAL A 45 -16.992 10.195 9.196 1.00 0.00 O ATOM 650 CB VAL A 45 -15.549 12.164 7.585 1.00 0.00 C ATOM 651 CG1 VAL A 45 -15.534 13.225 8.674 1.00 0.00 C ATOM 652 CG2 VAL A 45 -14.799 12.644 6.351 1.00 0.00 C ATOM 0 H VAL A 45 -15.556 9.966 6.303 1.00 0.00 H new ATOM 0 HA VAL A 45 -13.922 11.029 8.435 1.00 0.00 H new ATOM 0 HB VAL A 45 -16.586 11.981 7.304 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -15.965 14.149 8.288 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -16.119 12.880 9.526 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -14.507 13.408 8.989 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -15.240 13.576 5.997 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -13.752 12.811 6.604 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -14.868 11.890 5.567 1.00 0.00 H new ATOM 662 N PRO A 46 -15.100 10.094 10.415 1.00 0.00 N ATOM 663 CA PRO A 46 -15.755 9.611 11.634 1.00 0.00 C ATOM 664 C PRO A 46 -16.632 10.678 12.282 1.00 0.00 C ATOM 665 O PRO A 46 -16.129 11.657 12.833 1.00 0.00 O ATOM 666 CB PRO A 46 -14.581 9.255 12.550 1.00 0.00 C ATOM 667 CG PRO A 46 -13.457 10.110 12.075 1.00 0.00 C ATOM 668 CD PRO A 46 -13.647 10.256 10.591 1.00 0.00 C ATOM 0 HA PRO A 46 -16.425 8.775 11.433 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -14.818 9.457 13.594 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -14.331 8.197 12.479 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -13.471 11.082 12.568 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -12.495 9.651 12.302 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -13.305 11.228 10.236 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -13.089 9.501 10.038 1.00 0.00 H new ATOM 676 N SER A 47 -17.944 10.481 12.211 1.00 0.00 N ATOM 677 CA SER A 47 -18.891 11.428 12.788 1.00 0.00 C ATOM 678 C SER A 47 -19.182 11.085 14.246 1.00 0.00 C ATOM 679 O SER A 47 -19.322 9.921 14.621 1.00 0.00 O ATOM 680 CB SER A 47 -20.193 11.434 11.984 1.00 0.00 C ATOM 681 OG SER A 47 -21.059 12.466 12.424 1.00 0.00 O ATOM 0 H SER A 47 -18.376 9.674 11.760 1.00 0.00 H new ATOM 0 HA SER A 47 -18.443 12.421 12.749 1.00 0.00 H new ATOM 0 HB2 SER A 47 -19.970 11.569 10.926 1.00 0.00 H new ATOM 0 HB3 SER A 47 -20.691 10.470 12.085 1.00 0.00 H new ATOM 0 HG SER A 47 -20.775 13.319 12.035 1.00 0.00 H new ATOM 687 N PRO A 48 -19.276 12.124 15.090 1.00 0.00 N ATOM 688 CA PRO A 48 -19.552 11.960 16.520 1.00 0.00 C ATOM 689 C PRO A 48 -20.978 11.490 16.785 1.00 0.00 C ATOM 690 O PRO A 48 -21.861 11.651 15.943 1.00 0.00 O ATOM 691 CB PRO A 48 -19.338 13.365 17.086 1.00 0.00 C ATOM 692 CG PRO A 48 -19.585 14.279 15.936 1.00 0.00 C ATOM 693 CD PRO A 48 -19.120 13.539 14.712 1.00 0.00 C ATOM 0 HA PRO A 48 -18.914 11.201 16.974 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -20.024 13.569 17.908 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -18.327 13.485 17.477 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -20.642 14.534 15.860 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -19.039 15.215 16.057 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -19.721 13.790 13.838 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -18.085 13.778 14.467 1.00 0.00 H new ATOM 701 N SER A 49 -21.196 10.908 17.960 1.00 0.00 N ATOM 702 CA SER A 49 -22.515 10.412 18.335 1.00 0.00 C ATOM 703 C SER A 49 -23.265 11.443 19.172 1.00 0.00 C ATOM 704 O SER A 49 -24.490 11.390 19.294 1.00 0.00 O ATOM 705 CB SER A 49 -22.387 9.101 19.113 1.00 0.00 C ATOM 706 OG SER A 49 -22.295 7.993 18.234 1.00 0.00 O ATOM 0 H SER A 49 -20.476 10.768 18.669 1.00 0.00 H new ATOM 0 HA SER A 49 -23.082 10.230 17.422 1.00 0.00 H new ATOM 0 HB2 SER A 49 -21.504 9.138 19.751 1.00 0.00 H new ATOM 0 HB3 SER A 49 -23.249 8.978 19.769 1.00 0.00 H new ATOM 0 HG SER A 49 -22.212 7.168 18.756 1.00 0.00 H new ATOM 712 N THR A 50 -22.522 12.382 19.750 1.00 0.00 N ATOM 713 CA THR A 50 -23.115 13.425 20.577 1.00 0.00 C ATOM 714 C THR A 50 -23.582 14.601 19.728 1.00 0.00 C ATOM 715 O THR A 50 -24.555 15.277 20.066 1.00 0.00 O ATOM 716 CB THR A 50 -22.121 13.934 21.638 1.00 0.00 C ATOM 717 OG1 THR A 50 -20.885 14.302 21.014 1.00 0.00 O ATOM 718 CG2 THR A 50 -21.864 12.870 22.694 1.00 0.00 C ATOM 0 H THR A 50 -21.508 12.441 19.660 1.00 0.00 H new ATOM 0 HA THR A 50 -23.974 12.980 21.079 1.00 0.00 H new ATOM 0 HB THR A 50 -22.557 14.807 22.124 1.00 0.00 H new ATOM 0 HG1 THR A 50 -20.259 14.626 21.695 1.00 0.00 H new ATOM 0 HG21 THR A 50 -21.159 13.253 23.432 1.00 0.00 H new ATOM 0 HG22 THR A 50 -22.802 12.613 23.187 1.00 0.00 H new ATOM 0 HG23 THR A 50 -21.447 11.981 22.221 1.00 0.00 H new ATOM 726 N LEU A 51 -22.883 14.842 18.624 1.00 0.00 N ATOM 727 CA LEU A 51 -23.227 15.938 17.724 1.00 0.00 C ATOM 728 C LEU A 51 -23.978 15.423 16.501 1.00 0.00 C ATOM 729 O LEU A 51 -23.842 14.260 16.122 1.00 0.00 O ATOM 730 CB LEU A 51 -21.963 16.679 17.286 1.00 0.00 C ATOM 731 CG LEU A 51 -22.132 18.167 16.975 1.00 0.00 C ATOM 732 CD1 LEU A 51 -22.746 18.894 18.161 1.00 0.00 C ATOM 733 CD2 LEU A 51 -20.794 18.789 16.600 1.00 0.00 C ATOM 0 H LEU A 51 -22.075 14.293 18.330 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.877 16.628 18.262 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.214 16.575 18.071 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.565 16.186 16.399 1.00 0.00 H new ATOM 0 HG LEU A 51 -22.807 18.266 16.125 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -22.859 19.951 17.921 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -23.724 18.466 18.384 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -22.097 18.786 19.030 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -20.933 19.848 16.382 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -20.096 18.678 17.430 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -20.393 18.287 15.719 1.00 0.00 H new ATOM 745 N GLU A 52 -24.768 16.297 15.886 1.00 0.00 N ATOM 746 CA GLU A 52 -25.539 15.930 14.704 1.00 0.00 C ATOM 747 C GLU A 52 -24.656 15.924 13.459 1.00 0.00 C ATOM 748 O GLU A 52 -23.765 16.757 13.295 1.00 0.00 O ATOM 749 CB GLU A 52 -26.708 16.899 14.509 1.00 0.00 C ATOM 750 CG GLU A 52 -26.274 18.336 14.276 1.00 0.00 C ATOM 751 CD GLU A 52 -27.324 19.340 14.712 1.00 0.00 C ATOM 752 OE1 GLU A 52 -27.439 19.588 15.930 1.00 0.00 O ATOM 753 OE2 GLU A 52 -28.031 19.877 13.833 1.00 0.00 O ATOM 0 H GLU A 52 -24.891 17.264 16.186 1.00 0.00 H new ATOM 0 HA GLU A 52 -25.931 14.924 14.855 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -27.307 16.567 13.661 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -27.352 16.861 15.388 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -25.348 18.525 14.819 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -26.057 18.479 13.217 1.00 0.00 H new ATOM 760 N PRO A 53 -24.909 14.961 12.560 1.00 0.00 N ATOM 761 CA PRO A 53 -24.149 14.822 11.314 1.00 0.00 C ATOM 762 C PRO A 53 -24.436 15.951 10.331 1.00 0.00 C ATOM 763 O PRO A 53 -25.490 16.586 10.389 1.00 0.00 O ATOM 764 CB PRO A 53 -24.636 13.485 10.750 1.00 0.00 C ATOM 765 CG PRO A 53 -25.997 13.303 11.327 1.00 0.00 C ATOM 766 CD PRO A 53 -25.957 13.934 12.691 1.00 0.00 C ATOM 0 HA PRO A 53 -23.073 14.862 11.486 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -24.667 13.503 9.661 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -23.972 12.669 11.037 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -26.753 13.776 10.700 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -26.254 12.246 11.394 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -26.918 14.372 12.960 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -25.712 13.206 13.464 1.00 0.00 H new ATOM 774 N HIS A 54 -23.492 16.198 9.428 1.00 0.00 N ATOM 775 CA HIS A 54 -23.645 17.251 8.431 1.00 0.00 C ATOM 776 C HIS A 54 -24.670 16.853 7.373 1.00 0.00 C ATOM 777 O HIS A 54 -24.680 15.726 6.877 1.00 0.00 O ATOM 778 CB HIS A 54 -22.301 17.553 7.767 1.00 0.00 C ATOM 779 CG HIS A 54 -21.429 16.346 7.605 1.00 0.00 C ATOM 780 ND1 HIS A 54 -20.464 15.986 8.521 1.00 0.00 N ATOM 781 CD2 HIS A 54 -21.381 15.414 6.624 1.00 0.00 C ATOM 782 CE1 HIS A 54 -19.859 14.885 8.111 1.00 0.00 C ATOM 783 NE2 HIS A 54 -20.398 14.518 6.962 1.00 0.00 N ATOM 0 H HIS A 54 -22.614 15.683 9.367 1.00 0.00 H new ATOM 0 HA HIS A 54 -24.001 18.148 8.938 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -22.480 17.996 6.787 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -21.771 18.297 8.361 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -20.250 16.491 9.381 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -22.001 15.382 5.740 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -19.060 14.373 8.627 1.00 0.00 H new ATOM 792 N PRO A 55 -25.553 17.798 7.019 1.00 0.00 N ATOM 793 CA PRO A 55 -26.598 17.569 6.017 1.00 0.00 C ATOM 794 C PRO A 55 -26.031 17.433 4.608 1.00 0.00 C ATOM 795 O PRO A 55 -26.747 17.078 3.672 1.00 0.00 O ATOM 796 CB PRO A 55 -27.472 18.822 6.123 1.00 0.00 C ATOM 797 CG PRO A 55 -26.563 19.873 6.658 1.00 0.00 C ATOM 798 CD PRO A 55 -25.599 19.163 7.569 1.00 0.00 C ATOM 0 HA PRO A 55 -27.138 16.639 6.197 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -27.877 19.106 5.152 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -28.321 18.658 6.786 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -26.035 20.380 5.850 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -27.123 20.635 7.200 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -24.616 19.634 7.559 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -25.945 19.168 8.603 1.00 0.00 H new ATOM 806 N ARG A 56 -24.741 17.718 4.465 1.00 0.00 N ATOM 807 CA ARG A 56 -24.078 17.628 3.169 1.00 0.00 C ATOM 808 C ARG A 56 -23.562 16.214 2.920 1.00 0.00 C ATOM 809 O ARG A 56 -23.055 15.543 3.820 1.00 0.00 O ATOM 810 CB ARG A 56 -22.920 18.625 3.094 1.00 0.00 C ATOM 811 CG ARG A 56 -21.948 18.519 4.258 1.00 0.00 C ATOM 812 CD ARG A 56 -20.597 19.124 3.912 1.00 0.00 C ATOM 813 NE ARG A 56 -20.534 20.546 4.238 1.00 0.00 N ATOM 814 CZ ARG A 56 -20.969 21.505 3.428 1.00 0.00 C ATOM 815 NH1 ARG A 56 -21.495 21.196 2.251 1.00 0.00 N ATOM 816 NH2 ARG A 56 -20.878 22.777 3.795 1.00 0.00 N ATOM 0 H ARG A 56 -24.134 18.013 5.230 1.00 0.00 H new ATOM 0 HA ARG A 56 -24.809 17.871 2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -22.376 18.468 2.162 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -23.324 19.637 3.060 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -22.364 19.028 5.128 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -21.820 17.472 4.532 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -19.813 18.593 4.452 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -20.400 18.987 2.849 1.00 0.00 H new ATOM 0 HE ARG A 56 -20.134 20.818 5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -21.567 20.220 1.965 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -21.828 21.935 1.631 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -20.474 23.019 4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -21.212 23.513 3.172 1.00 0.00 H new ATOM 830 N PRO A 57 -23.693 15.748 1.669 1.00 0.00 N ATOM 831 CA PRO A 57 -23.246 14.409 1.272 1.00 0.00 C ATOM 832 C PRO A 57 -21.727 14.284 1.263 1.00 0.00 C ATOM 833 O PRO A 57 -21.023 15.177 0.790 1.00 0.00 O ATOM 834 CB PRO A 57 -23.804 14.255 -0.146 1.00 0.00 C ATOM 835 CG PRO A 57 -23.943 15.650 -0.651 1.00 0.00 C ATOM 836 CD PRO A 57 -24.288 16.492 0.546 1.00 0.00 C ATOM 0 HA PRO A 57 -23.590 13.642 1.966 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -23.132 13.671 -0.775 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -24.764 13.738 -0.140 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -23.017 15.991 -1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -24.722 15.714 -1.411 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -23.872 17.496 0.464 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -25.366 16.602 0.663 1.00 0.00 H new ATOM 844 N LEU A 58 -21.227 13.171 1.789 1.00 0.00 N ATOM 845 CA LEU A 58 -19.789 12.929 1.841 1.00 0.00 C ATOM 846 C LEU A 58 -19.394 11.793 0.902 1.00 0.00 C ATOM 847 O LEU A 58 -19.739 10.634 1.133 1.00 0.00 O ATOM 848 CB LEU A 58 -19.360 12.596 3.271 1.00 0.00 C ATOM 849 CG LEU A 58 -20.275 11.644 4.042 1.00 0.00 C ATOM 850 CD1 LEU A 58 -19.508 10.956 5.161 1.00 0.00 C ATOM 851 CD2 LEU A 58 -21.477 12.393 4.599 1.00 0.00 C ATOM 0 H LEU A 58 -21.795 12.422 2.185 1.00 0.00 H new ATOM 0 HA LEU A 58 -19.280 13.837 1.517 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -18.361 12.160 3.237 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -19.283 13.527 3.832 1.00 0.00 H new ATOM 0 HG LEU A 58 -20.636 10.880 3.353 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -20.175 10.282 5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -18.681 10.386 4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -19.118 11.706 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.117 11.700 5.145 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.136 13.179 5.273 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -22.040 12.838 3.779 1.00 0.00 H new ATOM 863 N LEU A 59 -18.666 12.134 -0.156 1.00 0.00 N ATOM 864 CA LEU A 59 -18.221 11.143 -1.129 1.00 0.00 C ATOM 865 C LEU A 59 -17.018 10.366 -0.604 1.00 0.00 C ATOM 866 O LEU A 59 -15.980 10.948 -0.292 1.00 0.00 O ATOM 867 CB LEU A 59 -17.864 11.823 -2.452 1.00 0.00 C ATOM 868 CG LEU A 59 -17.937 10.942 -3.700 1.00 0.00 C ATOM 869 CD1 LEU A 59 -18.190 11.790 -4.937 1.00 0.00 C ATOM 870 CD2 LEU A 59 -16.657 10.134 -3.858 1.00 0.00 C ATOM 0 H LEU A 59 -18.372 13.089 -0.362 1.00 0.00 H new ATOM 0 HA LEU A 59 -19.039 10.442 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -18.531 12.673 -2.592 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -16.853 12.221 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 59 -18.769 10.248 -3.584 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -18.239 11.147 -5.815 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -19.134 12.324 -4.825 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -17.379 12.508 -5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -16.727 9.513 -4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.808 10.812 -3.952 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.518 9.498 -2.984 1.00 0.00 H new ATOM 882 N GLN A 60 -17.166 9.048 -0.511 1.00 0.00 N ATOM 883 CA GLN A 60 -16.091 8.191 -0.024 1.00 0.00 C ATOM 884 C GLN A 60 -15.284 7.619 -1.185 1.00 0.00 C ATOM 885 O GLN A 60 -15.805 7.437 -2.286 1.00 0.00 O ATOM 886 CB GLN A 60 -16.661 7.054 0.825 1.00 0.00 C ATOM 887 CG GLN A 60 -15.657 5.950 1.117 1.00 0.00 C ATOM 888 CD GLN A 60 -15.999 5.167 2.369 1.00 0.00 C ATOM 889 OE1 GLN A 60 -17.088 5.307 2.925 1.00 0.00 O ATOM 890 NE2 GLN A 60 -15.067 4.335 2.819 1.00 0.00 N ATOM 0 H GLN A 60 -18.019 8.551 -0.766 1.00 0.00 H new ATOM 0 HA GLN A 60 -15.428 8.797 0.593 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -17.024 7.463 1.768 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -17.521 6.625 0.312 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -15.614 5.269 0.267 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -14.664 6.386 1.226 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.178 4.250 2.326 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.240 3.780 3.657 1.00 0.00 H new ATOM 899 N ARG A 61 -14.010 7.338 -0.932 1.00 0.00 N ATOM 900 CA ARG A 61 -13.131 6.788 -1.956 1.00 0.00 C ATOM 901 C ARG A 61 -12.061 5.896 -1.333 1.00 0.00 C ATOM 902 O ARG A 61 -11.762 6.007 -0.144 1.00 0.00 O ATOM 903 CB ARG A 61 -12.470 7.915 -2.751 1.00 0.00 C ATOM 904 CG ARG A 61 -12.153 7.542 -4.190 1.00 0.00 C ATOM 905 CD ARG A 61 -10.947 8.308 -4.711 1.00 0.00 C ATOM 906 NE ARG A 61 -10.759 8.121 -6.147 1.00 0.00 N ATOM 907 CZ ARG A 61 -10.025 8.929 -6.904 1.00 0.00 C ATOM 908 NH1 ARG A 61 -9.414 9.974 -6.364 1.00 0.00 N ATOM 909 NH2 ARG A 61 -9.901 8.692 -8.204 1.00 0.00 N ATOM 0 H ARG A 61 -13.564 7.482 -0.026 1.00 0.00 H new ATOM 0 HA ARG A 61 -13.736 6.183 -2.631 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -13.127 8.785 -2.747 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.548 8.209 -2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.961 6.471 -4.256 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -13.018 7.750 -4.820 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.072 9.369 -4.497 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.052 7.979 -4.182 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.217 7.326 -6.593 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.507 10.159 -5.365 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -8.851 10.593 -6.947 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.370 7.889 -8.623 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.337 9.313 -8.784 1.00 0.00 H new ATOM 923 N GLU A 62 -11.488 5.012 -2.143 1.00 0.00 N ATOM 924 CA GLU A 62 -10.453 4.100 -1.670 1.00 0.00 C ATOM 925 C GLU A 62 -9.276 4.064 -2.640 1.00 0.00 C ATOM 926 O GLU A 62 -9.401 4.455 -3.801 1.00 0.00 O ATOM 927 CB GLU A 62 -11.025 2.692 -1.491 1.00 0.00 C ATOM 928 CG GLU A 62 -11.909 2.244 -2.642 1.00 0.00 C ATOM 929 CD GLU A 62 -12.923 1.196 -2.225 1.00 0.00 C ATOM 930 OE1 GLU A 62 -13.400 1.256 -1.073 1.00 0.00 O ATOM 931 OE2 GLU A 62 -13.239 0.315 -3.052 1.00 0.00 O ATOM 0 H GLU A 62 -11.723 4.908 -3.130 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.096 4.464 -0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.202 1.986 -1.380 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.601 2.658 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.432 3.108 -3.051 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.284 1.843 -3.440 1.00 0.00 H new ATOM 938 N LEU A 63 -8.132 3.592 -2.155 1.00 0.00 N ATOM 939 CA LEU A 63 -6.931 3.504 -2.978 1.00 0.00 C ATOM 940 C LEU A 63 -6.650 2.059 -3.379 1.00 0.00 C ATOM 941 O LEU A 63 -7.009 1.125 -2.662 1.00 0.00 O ATOM 942 CB LEU A 63 -5.730 4.079 -2.225 1.00 0.00 C ATOM 943 CG LEU A 63 -4.511 4.435 -3.077 1.00 0.00 C ATOM 944 CD1 LEU A 63 -4.869 5.497 -4.104 1.00 0.00 C ATOM 945 CD2 LEU A 63 -3.364 4.907 -2.196 1.00 0.00 C ATOM 0 H LEU A 63 -8.011 3.265 -1.197 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.097 4.087 -3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.053 4.976 -1.697 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -5.421 3.357 -1.469 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.189 3.539 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.989 5.737 -4.701 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.658 5.122 -4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.217 6.395 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.505 5.156 -2.819 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.674 5.789 -1.637 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.090 4.114 -1.500 1.00 0.00 H new ATOM 957 N MET A 64 -6.004 1.884 -4.527 1.00 0.00 N ATOM 958 CA MET A 64 -5.671 0.553 -5.020 1.00 0.00 C ATOM 959 C MET A 64 -4.165 0.405 -5.214 1.00 0.00 C ATOM 960 O MET A 64 -3.578 1.029 -6.098 1.00 0.00 O ATOM 961 CB MET A 64 -6.395 0.279 -6.340 1.00 0.00 C ATOM 962 CG MET A 64 -6.586 -1.200 -6.633 1.00 0.00 C ATOM 963 SD MET A 64 -8.061 -1.529 -7.617 1.00 0.00 S ATOM 964 CE MET A 64 -9.059 -2.435 -6.438 1.00 0.00 C ATOM 0 H MET A 64 -5.701 2.647 -5.133 1.00 0.00 H new ATOM 0 HA MET A 64 -5.997 -0.174 -4.276 1.00 0.00 H new ATOM 0 HB2 MET A 64 -7.370 0.765 -6.318 1.00 0.00 H new ATOM 0 HB3 MET A 64 -5.831 0.733 -7.155 1.00 0.00 H new ATOM 0 HG2 MET A 64 -5.710 -1.578 -7.161 1.00 0.00 H new ATOM 0 HG3 MET A 64 -6.652 -1.747 -5.693 1.00 0.00 H new ATOM 0 HE1 MET A 64 -9.895 -2.906 -6.955 1.00 0.00 H new ATOM 0 HE2 MET A 64 -8.450 -3.202 -5.959 1.00 0.00 H new ATOM 0 HE3 MET A 64 -9.440 -1.749 -5.681 1.00 0.00 H new ATOM 974 N VAL A 65 -3.545 -0.424 -4.380 1.00 0.00 N ATOM 975 CA VAL A 65 -2.107 -0.654 -4.460 1.00 0.00 C ATOM 976 C VAL A 65 -1.782 -2.140 -4.356 1.00 0.00 C ATOM 977 O VAL A 65 -2.344 -2.868 -3.539 1.00 0.00 O ATOM 978 CB VAL A 65 -1.355 0.104 -3.350 1.00 0.00 C ATOM 979 CG1 VAL A 65 0.047 0.473 -3.810 1.00 0.00 C ATOM 980 CG2 VAL A 65 -2.131 1.343 -2.931 1.00 0.00 C ATOM 0 H VAL A 65 -4.016 -0.947 -3.642 1.00 0.00 H new ATOM 0 HA VAL A 65 -1.780 -0.280 -5.430 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.266 -0.551 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.563 1.008 -3.012 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.600 -0.434 -4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.015 1.110 -4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -1.585 1.866 -2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.254 2.003 -3.790 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -3.112 1.049 -2.557 1.00 0.00 H new ATOM 990 N PRO A 66 -0.851 -2.602 -5.204 1.00 0.00 N ATOM 991 CA PRO A 66 -0.428 -4.006 -5.227 1.00 0.00 C ATOM 992 C PRO A 66 0.370 -4.391 -3.986 1.00 0.00 C ATOM 993 O PRO A 66 1.083 -3.567 -3.414 1.00 0.00 O ATOM 994 CB PRO A 66 0.452 -4.091 -6.476 1.00 0.00 C ATOM 995 CG PRO A 66 0.958 -2.704 -6.679 1.00 0.00 C ATOM 996 CD PRO A 66 -0.139 -1.790 -6.205 1.00 0.00 C ATOM 0 HA PRO A 66 -1.278 -4.688 -5.241 1.00 0.00 H new ATOM 0 HB2 PRO A 66 1.272 -4.795 -6.335 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -0.118 -4.435 -7.339 1.00 0.00 H new ATOM 0 HG2 PRO A 66 1.876 -2.537 -6.116 1.00 0.00 H new ATOM 0 HG3 PRO A 66 1.191 -2.523 -7.728 1.00 0.00 H new ATOM 0 HD2 PRO A 66 0.261 -0.875 -5.769 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -0.796 -1.493 -7.023 1.00 0.00 H new ATOM 1004 N GLY A 67 0.245 -5.649 -3.575 1.00 0.00 N ATOM 1005 CA GLY A 67 0.961 -6.121 -2.404 1.00 0.00 C ATOM 1006 C GLY A 67 2.397 -5.638 -2.369 1.00 0.00 C ATOM 1007 O GLY A 67 2.882 -5.180 -1.333 1.00 0.00 O ATOM 0 H GLY A 67 -0.339 -6.350 -4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.445 -5.782 -1.506 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.947 -7.211 -2.388 1.00 0.00 H new ATOM 1011 N THR A 68 3.083 -5.740 -3.503 1.00 0.00 N ATOM 1012 CA THR A 68 4.473 -5.313 -3.597 1.00 0.00 C ATOM 1013 C THR A 68 4.645 -3.885 -3.092 1.00 0.00 C ATOM 1014 O THR A 68 5.674 -3.542 -2.510 1.00 0.00 O ATOM 1015 CB THR A 68 4.990 -5.398 -5.046 1.00 0.00 C ATOM 1016 OG1 THR A 68 6.302 -4.830 -5.132 1.00 0.00 O ATOM 1017 CG2 THR A 68 4.054 -4.669 -5.998 1.00 0.00 C ATOM 0 H THR A 68 2.698 -6.115 -4.370 1.00 0.00 H new ATOM 0 HA THR A 68 5.054 -5.990 -2.971 1.00 0.00 H new ATOM 0 HB THR A 68 5.029 -6.449 -5.333 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.624 -4.889 -6.056 1.00 0.00 H new ATOM 0 HG21 THR A 68 4.440 -4.743 -7.015 1.00 0.00 H new ATOM 0 HG22 THR A 68 3.063 -5.121 -5.952 1.00 0.00 H new ATOM 0 HG23 THR A 68 3.987 -3.620 -5.710 1.00 0.00 H new ATOM 1025 N ARG A 69 3.630 -3.056 -3.317 1.00 0.00 N ATOM 1026 CA ARG A 69 3.670 -1.665 -2.884 1.00 0.00 C ATOM 1027 C ARG A 69 2.796 -1.454 -1.651 1.00 0.00 C ATOM 1028 O ARG A 69 1.605 -1.767 -1.660 1.00 0.00 O ATOM 1029 CB ARG A 69 3.206 -0.743 -4.014 1.00 0.00 C ATOM 1030 CG ARG A 69 4.344 -0.205 -4.866 1.00 0.00 C ATOM 1031 CD ARG A 69 3.828 0.680 -5.990 1.00 0.00 C ATOM 1032 NE ARG A 69 4.907 1.411 -6.649 1.00 0.00 N ATOM 1033 CZ ARG A 69 4.812 1.912 -7.876 1.00 0.00 C ATOM 1034 NH1 ARG A 69 3.694 1.761 -8.573 1.00 0.00 N ATOM 1035 NH2 ARG A 69 5.837 2.565 -8.408 1.00 0.00 N ATOM 0 H ARG A 69 2.771 -3.324 -3.796 1.00 0.00 H new ATOM 0 HA ARG A 69 4.700 -1.421 -2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 69 2.510 -1.287 -4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 69 2.656 0.095 -3.585 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.031 0.364 -4.240 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.910 -1.036 -5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.305 0.067 -6.723 1.00 0.00 H new ATOM 0 HD3 ARG A 69 3.102 1.388 -5.590 1.00 0.00 H new ATOM 0 HE ARG A 69 5.781 1.544 -6.140 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.904 1.259 -8.167 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.624 2.147 -9.515 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.699 2.683 -7.875 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.763 2.949 -9.350 1.00 0.00 H new ATOM 1049 N HIS A 70 3.395 -0.921 -0.591 1.00 0.00 N ATOM 1050 CA HIS A 70 2.672 -0.669 0.650 1.00 0.00 C ATOM 1051 C HIS A 70 2.645 0.823 0.970 1.00 0.00 C ATOM 1052 O HIS A 70 3.255 1.271 1.941 1.00 0.00 O ATOM 1053 CB HIS A 70 3.313 -1.438 1.805 1.00 0.00 C ATOM 1054 CG HIS A 70 3.731 -2.829 1.439 1.00 0.00 C ATOM 1055 ND1 HIS A 70 4.979 -3.132 0.937 1.00 0.00 N ATOM 1056 CD2 HIS A 70 3.059 -4.002 1.507 1.00 0.00 C ATOM 1057 CE1 HIS A 70 5.055 -4.432 0.710 1.00 0.00 C ATOM 1058 NE2 HIS A 70 3.904 -4.982 1.048 1.00 0.00 N ATOM 0 H HIS A 70 4.379 -0.655 -0.567 1.00 0.00 H new ATOM 0 HA HIS A 70 1.646 -1.014 0.519 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.184 -0.887 2.159 1.00 0.00 H new ATOM 0 HB3 HIS A 70 2.608 -1.486 2.635 1.00 0.00 H new ATOM 0 HD1 HIS A 70 5.726 -2.459 0.767 1.00 0.00 H new ATOM 0 HD2 HIS A 70 2.047 -4.141 1.857 1.00 0.00 H new ATOM 0 HE1 HIS A 70 5.913 -4.955 0.315 1.00 0.00 H new ATOM 1067 N SER A 71 1.936 1.587 0.146 1.00 0.00 N ATOM 1068 CA SER A 71 1.834 3.029 0.338 1.00 0.00 C ATOM 1069 C SER A 71 0.429 3.524 0.007 1.00 0.00 C ATOM 1070 O SER A 71 -0.289 2.906 -0.778 1.00 0.00 O ATOM 1071 CB SER A 71 2.861 3.755 -0.534 1.00 0.00 C ATOM 1072 OG SER A 71 2.594 3.553 -1.911 1.00 0.00 O ATOM 0 H SER A 71 1.424 1.232 -0.661 1.00 0.00 H new ATOM 0 HA SER A 71 2.039 3.246 1.386 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.844 4.822 -0.310 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.862 3.395 -0.298 1.00 0.00 H new ATOM 0 HG SER A 71 3.263 4.028 -2.447 1.00 0.00 H new ATOM 1078 N ALA A 72 0.044 4.642 0.613 1.00 0.00 N ATOM 1079 CA ALA A 72 -1.273 5.222 0.383 1.00 0.00 C ATOM 1080 C ALA A 72 -1.294 6.701 0.750 1.00 0.00 C ATOM 1081 O ALA A 72 -0.995 7.074 1.885 1.00 0.00 O ATOM 1082 CB ALA A 72 -2.329 4.464 1.175 1.00 0.00 C ATOM 0 H ALA A 72 0.626 5.165 1.268 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.500 5.136 -0.680 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.308 4.908 0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -2.340 3.420 0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.096 4.520 2.238 1.00 0.00 H new ATOM 1088 N VAL A 73 -1.648 7.542 -0.217 1.00 0.00 N ATOM 1089 CA VAL A 73 -1.708 8.981 0.005 1.00 0.00 C ATOM 1090 C VAL A 73 -3.107 9.522 -0.270 1.00 0.00 C ATOM 1091 O VAL A 73 -3.647 9.349 -1.363 1.00 0.00 O ATOM 1092 CB VAL A 73 -0.697 9.729 -0.884 1.00 0.00 C ATOM 1093 CG1 VAL A 73 -0.889 11.233 -0.762 1.00 0.00 C ATOM 1094 CG2 VAL A 73 0.726 9.334 -0.519 1.00 0.00 C ATOM 0 H VAL A 73 -1.898 7.251 -1.162 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.455 9.150 1.052 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.874 9.447 -1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -0.166 11.745 -1.397 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.899 11.498 -1.076 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.740 11.536 0.274 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.428 9.872 -1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.917 9.586 0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.854 8.261 -0.663 1.00 0.00 H new ATOM 1104 N LEU A 74 -3.689 10.178 0.728 1.00 0.00 N ATOM 1105 CA LEU A 74 -5.026 10.745 0.594 1.00 0.00 C ATOM 1106 C LEU A 74 -4.959 12.256 0.395 1.00 0.00 C ATOM 1107 O LEU A 74 -4.181 12.945 1.055 1.00 0.00 O ATOM 1108 CB LEU A 74 -5.866 10.419 1.830 1.00 0.00 C ATOM 1109 CG LEU A 74 -6.052 8.934 2.143 1.00 0.00 C ATOM 1110 CD1 LEU A 74 -6.455 8.172 0.890 1.00 0.00 C ATOM 1111 CD2 LEU A 74 -4.779 8.351 2.738 1.00 0.00 C ATOM 0 H LEU A 74 -3.256 10.330 1.639 1.00 0.00 H new ATOM 0 HA LEU A 74 -5.496 10.302 -0.284 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.405 10.897 2.694 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.851 10.869 1.704 1.00 0.00 H new ATOM 0 HG LEU A 74 -6.851 8.834 2.878 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.583 7.117 1.131 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.393 8.573 0.506 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.678 8.279 0.133 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.930 7.293 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.961 8.463 2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.533 8.879 3.660 1.00 0.00 H new ATOM 1123 N ARG A 75 -5.781 12.764 -0.518 1.00 0.00 N ATOM 1124 CA ARG A 75 -5.815 14.194 -0.803 1.00 0.00 C ATOM 1125 C ARG A 75 -7.206 14.766 -0.545 1.00 0.00 C ATOM 1126 O ARG A 75 -8.141 14.032 -0.225 1.00 0.00 O ATOM 1127 CB ARG A 75 -5.405 14.456 -2.253 1.00 0.00 C ATOM 1128 CG ARG A 75 -3.912 14.315 -2.499 1.00 0.00 C ATOM 1129 CD ARG A 75 -3.469 15.115 -3.714 1.00 0.00 C ATOM 1130 NE ARG A 75 -3.928 14.513 -4.963 1.00 0.00 N ATOM 1131 CZ ARG A 75 -3.343 13.464 -5.531 1.00 0.00 C ATOM 1132 NH1 ARG A 75 -2.282 12.905 -4.966 1.00 0.00 N ATOM 1133 NH2 ARG A 75 -3.819 12.973 -6.668 1.00 0.00 N ATOM 0 H ARG A 75 -6.432 12.207 -1.072 1.00 0.00 H new ATOM 0 HA ARG A 75 -5.108 14.689 -0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.939 13.763 -2.903 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.717 15.462 -2.534 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.364 14.653 -1.620 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.664 13.264 -2.644 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.854 16.132 -3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.381 15.186 -3.724 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.742 14.920 -5.424 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.912 13.280 -4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.835 12.100 -5.405 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.634 13.401 -7.107 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.369 12.168 -7.104 1.00 0.00 H new ATOM 1147 N ASP A 76 -7.334 16.081 -0.686 1.00 0.00 N ATOM 1148 CA ASP A 76 -8.610 16.752 -0.469 1.00 0.00 C ATOM 1149 C ASP A 76 -9.110 16.522 0.954 1.00 0.00 C ATOM 1150 O ASP A 76 -10.316 16.492 1.202 1.00 0.00 O ATOM 1151 CB ASP A 76 -9.650 16.255 -1.475 1.00 0.00 C ATOM 1152 CG ASP A 76 -9.265 16.569 -2.907 1.00 0.00 C ATOM 1153 OD1 ASP A 76 -8.499 17.532 -3.118 1.00 0.00 O ATOM 1154 OD2 ASP A 76 -9.731 15.852 -3.818 1.00 0.00 O ATOM 0 H ASP A 76 -6.570 16.703 -0.950 1.00 0.00 H new ATOM 0 HA ASP A 76 -8.459 17.822 -0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.774 15.178 -1.363 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -10.614 16.712 -1.252 1.00 0.00 H new ATOM 1159 N LEU A 77 -8.176 16.359 1.885 1.00 0.00 N ATOM 1160 CA LEU A 77 -8.522 16.130 3.283 1.00 0.00 C ATOM 1161 C LEU A 77 -8.794 17.449 4.000 1.00 0.00 C ATOM 1162 O LEU A 77 -8.464 18.521 3.493 1.00 0.00 O ATOM 1163 CB LEU A 77 -7.395 15.375 3.990 1.00 0.00 C ATOM 1164 CG LEU A 77 -6.866 14.132 3.273 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -5.762 13.476 4.086 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -7.996 13.147 3.010 1.00 0.00 C ATOM 0 H LEU A 77 -7.174 16.381 1.697 1.00 0.00 H new ATOM 0 HA LEU A 77 -9.430 15.528 3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -6.564 16.063 4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -7.748 15.078 4.978 1.00 0.00 H new ATOM 0 HG LEU A 77 -6.448 14.439 2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.398 12.593 3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.942 14.181 4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.153 13.182 5.060 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -7.601 12.269 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -8.444 12.846 3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -8.753 13.620 2.385 1.00 0.00 H new ATOM 1178 N ARG A 78 -9.394 17.361 5.182 1.00 0.00 N ATOM 1179 CA ARG A 78 -9.709 18.547 5.969 1.00 0.00 C ATOM 1180 C ARG A 78 -8.499 18.997 6.783 1.00 0.00 C ATOM 1181 O ARG A 78 -7.612 18.200 7.087 1.00 0.00 O ATOM 1182 CB ARG A 78 -10.889 18.268 6.902 1.00 0.00 C ATOM 1183 CG ARG A 78 -11.706 19.505 7.237 1.00 0.00 C ATOM 1184 CD ARG A 78 -12.733 19.803 6.155 1.00 0.00 C ATOM 1185 NE ARG A 78 -13.885 20.531 6.680 1.00 0.00 N ATOM 1186 CZ ARG A 78 -14.940 20.866 5.945 1.00 0.00 C ATOM 1187 NH1 ARG A 78 -14.988 20.539 4.661 1.00 0.00 N ATOM 1188 NH2 ARG A 78 -15.950 21.528 6.494 1.00 0.00 N ATOM 0 H ARG A 78 -9.672 16.481 5.616 1.00 0.00 H new ATOM 0 HA ARG A 78 -9.980 19.347 5.280 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -11.540 17.527 6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -10.514 17.829 7.827 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -12.212 19.361 8.191 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.041 20.361 7.355 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.265 20.387 5.362 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -13.069 18.868 5.706 1.00 0.00 H new ATOM 0 HE ARG A 78 -13.879 20.797 7.665 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -14.214 20.029 4.235 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -15.799 20.797 4.099 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -15.917 21.781 7.482 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -16.759 21.784 5.928 1.00 0.00 H new ATOM 1202 N SER A 79 -8.469 20.279 7.131 1.00 0.00 N ATOM 1203 CA SER A 79 -7.366 20.837 7.905 1.00 0.00 C ATOM 1204 C SER A 79 -7.525 20.513 9.387 1.00 0.00 C ATOM 1205 O SER A 79 -8.631 20.543 9.926 1.00 0.00 O ATOM 1206 CB SER A 79 -7.291 22.352 7.707 1.00 0.00 C ATOM 1207 OG SER A 79 -7.325 22.689 6.331 1.00 0.00 O ATOM 0 H SER A 79 -9.197 20.952 6.889 1.00 0.00 H new ATOM 0 HA SER A 79 -6.440 20.386 7.549 1.00 0.00 H new ATOM 0 HB2 SER A 79 -8.123 22.831 8.223 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.375 22.736 8.156 1.00 0.00 H new ATOM 0 HG SER A 79 -7.277 23.663 6.231 1.00 0.00 H new ATOM 1213 N GLY A 80 -6.410 20.202 10.041 1.00 0.00 N ATOM 1214 CA GLY A 80 -6.445 19.877 11.455 1.00 0.00 C ATOM 1215 C GLY A 80 -7.638 19.017 11.822 1.00 0.00 C ATOM 1216 O GLY A 80 -8.389 19.342 12.743 1.00 0.00 O ATOM 0 H GLY A 80 -5.483 20.169 9.617 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -5.527 19.356 11.728 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -6.473 20.799 12.036 1.00 0.00 H new ATOM 1220 N THR A 81 -7.816 17.915 11.100 1.00 0.00 N ATOM 1221 CA THR A 81 -8.928 17.007 11.352 1.00 0.00 C ATOM 1222 C THR A 81 -8.445 15.566 11.470 1.00 0.00 C ATOM 1223 O THR A 81 -7.392 15.208 10.941 1.00 0.00 O ATOM 1224 CB THR A 81 -9.987 17.092 10.237 1.00 0.00 C ATOM 1225 OG1 THR A 81 -10.584 18.394 10.227 1.00 0.00 O ATOM 1226 CG2 THR A 81 -11.064 16.036 10.433 1.00 0.00 C ATOM 0 H THR A 81 -7.204 17.630 10.336 1.00 0.00 H new ATOM 0 HA THR A 81 -9.379 17.315 12.295 1.00 0.00 H new ATOM 0 HB THR A 81 -9.493 16.912 9.282 1.00 0.00 H new ATOM 0 HG1 THR A 81 -9.887 19.073 10.110 1.00 0.00 H new ATOM 0 HG21 THR A 81 -11.801 16.115 9.634 1.00 0.00 H new ATOM 0 HG22 THR A 81 -10.610 15.045 10.411 1.00 0.00 H new ATOM 0 HG23 THR A 81 -11.554 16.190 11.395 1.00 0.00 H new ATOM 1234 N LEU A 82 -9.221 14.742 12.165 1.00 0.00 N ATOM 1235 CA LEU A 82 -8.872 13.337 12.352 1.00 0.00 C ATOM 1236 C LEU A 82 -9.580 12.460 11.324 1.00 0.00 C ATOM 1237 O LEU A 82 -10.786 12.585 11.112 1.00 0.00 O ATOM 1238 CB LEU A 82 -9.238 12.884 13.766 1.00 0.00 C ATOM 1239 CG LEU A 82 -8.609 11.571 14.234 1.00 0.00 C ATOM 1240 CD1 LEU A 82 -9.023 10.426 13.322 1.00 0.00 C ATOM 1241 CD2 LEU A 82 -7.093 11.694 14.283 1.00 0.00 C ATOM 0 H LEU A 82 -10.096 15.022 12.608 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.796 13.233 12.212 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -8.950 13.670 14.464 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.322 12.786 13.825 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.969 11.356 15.240 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -8.566 9.500 13.670 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -10.108 10.323 13.337 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.692 10.633 12.304 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.662 10.751 14.618 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -6.715 11.933 13.289 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -6.815 12.487 14.977 1.00 0.00 H new ATOM 1253 N TYR A 83 -8.822 11.571 10.692 1.00 0.00 N ATOM 1254 CA TYR A 83 -9.377 10.672 9.686 1.00 0.00 C ATOM 1255 C TYR A 83 -9.164 9.214 10.082 1.00 0.00 C ATOM 1256 O TYR A 83 -8.150 8.865 10.686 1.00 0.00 O ATOM 1257 CB TYR A 83 -8.737 10.940 8.323 1.00 0.00 C ATOM 1258 CG TYR A 83 -9.407 12.052 7.548 1.00 0.00 C ATOM 1259 CD1 TYR A 83 -9.140 13.385 7.835 1.00 0.00 C ATOM 1260 CD2 TYR A 83 -10.307 11.770 6.528 1.00 0.00 C ATOM 1261 CE1 TYR A 83 -9.750 14.404 7.130 1.00 0.00 C ATOM 1262 CE2 TYR A 83 -10.921 12.782 5.817 1.00 0.00 C ATOM 1263 CZ TYR A 83 -10.640 14.098 6.122 1.00 0.00 C ATOM 1264 OH TYR A 83 -11.249 15.110 5.416 1.00 0.00 O ATOM 0 H TYR A 83 -7.822 11.453 10.858 1.00 0.00 H new ATOM 0 HA TYR A 83 -10.449 10.859 9.620 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -7.686 11.191 8.467 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -8.768 10.026 7.730 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.443 13.629 8.623 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.530 10.741 6.287 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -9.531 15.435 7.367 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -11.617 12.545 5.026 1.00 0.00 H new ATOM 0 HH TYR A 83 -11.846 14.725 4.741 1.00 0.00 H new ATOM 1274 N SER A 84 -10.128 8.367 9.737 1.00 0.00 N ATOM 1275 CA SER A 84 -10.050 6.947 10.058 1.00 0.00 C ATOM 1276 C SER A 84 -9.679 6.130 8.824 1.00 0.00 C ATOM 1277 O SER A 84 -10.484 5.973 7.904 1.00 0.00 O ATOM 1278 CB SER A 84 -11.382 6.456 10.627 1.00 0.00 C ATOM 1279 OG SER A 84 -11.307 5.090 10.996 1.00 0.00 O ATOM 0 H SER A 84 -10.973 8.640 9.235 1.00 0.00 H new ATOM 0 HA SER A 84 -9.271 6.813 10.809 1.00 0.00 H new ATOM 0 HB2 SER A 84 -11.653 7.056 11.496 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.170 6.593 9.886 1.00 0.00 H new ATOM 0 HG SER A 84 -12.171 4.801 11.358 1.00 0.00 H new ATOM 1285 N LEU A 85 -8.456 5.612 8.810 1.00 0.00 N ATOM 1286 CA LEU A 85 -7.977 4.810 7.689 1.00 0.00 C ATOM 1287 C LEU A 85 -8.161 3.322 7.966 1.00 0.00 C ATOM 1288 O LEU A 85 -8.094 2.879 9.114 1.00 0.00 O ATOM 1289 CB LEU A 85 -6.502 5.112 7.415 1.00 0.00 C ATOM 1290 CG LEU A 85 -6.054 6.552 7.664 1.00 0.00 C ATOM 1291 CD1 LEU A 85 -4.555 6.610 7.909 1.00 0.00 C ATOM 1292 CD2 LEU A 85 -6.439 7.441 6.489 1.00 0.00 C ATOM 0 H LEU A 85 -7.778 5.733 9.562 1.00 0.00 H new ATOM 0 HA LEU A 85 -8.565 5.071 6.809 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.895 4.452 8.035 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.287 4.860 6.376 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.561 6.921 8.555 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.255 7.643 8.084 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.305 6.006 8.782 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.029 6.222 7.037 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.112 8.463 6.683 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.959 7.073 5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -7.521 7.425 6.360 1.00 0.00 H new ATOM 1304 N THR A 86 -8.390 2.552 6.907 1.00 0.00 N ATOM 1305 CA THR A 86 -8.582 1.113 7.035 1.00 0.00 C ATOM 1306 C THR A 86 -8.103 0.381 5.787 1.00 0.00 C ATOM 1307 O THR A 86 -8.763 0.408 4.747 1.00 0.00 O ATOM 1308 CB THR A 86 -10.062 0.764 7.286 1.00 0.00 C ATOM 1309 OG1 THR A 86 -10.613 1.645 8.270 1.00 0.00 O ATOM 1310 CG2 THR A 86 -10.206 -0.678 7.750 1.00 0.00 C ATOM 0 H THR A 86 -8.447 2.901 5.950 1.00 0.00 H new ATOM 0 HA THR A 86 -7.990 0.790 7.891 1.00 0.00 H new ATOM 0 HB THR A 86 -10.605 0.883 6.349 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.554 1.418 8.423 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.259 -0.902 7.921 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.812 -1.347 6.985 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.650 -0.819 8.677 1.00 0.00 H new ATOM 1318 N LEU A 87 -6.952 -0.274 5.896 1.00 0.00 N ATOM 1319 CA LEU A 87 -6.385 -1.015 4.775 1.00 0.00 C ATOM 1320 C LEU A 87 -6.914 -2.445 4.744 1.00 0.00 C ATOM 1321 O LEU A 87 -7.231 -3.023 5.784 1.00 0.00 O ATOM 1322 CB LEU A 87 -4.858 -1.026 4.867 1.00 0.00 C ATOM 1323 CG LEU A 87 -4.115 -1.518 3.624 1.00 0.00 C ATOM 1324 CD1 LEU A 87 -4.100 -0.442 2.550 1.00 0.00 C ATOM 1325 CD2 LEU A 87 -2.696 -1.937 3.982 1.00 0.00 C ATOM 0 H LEU A 87 -6.394 -0.307 6.749 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.684 -0.517 3.853 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -4.520 -0.014 5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.569 -1.653 5.711 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.641 -2.388 3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.567 -0.810 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.124 -0.190 2.273 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -3.598 0.447 2.933 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.182 -2.284 3.086 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.160 -1.085 4.401 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.729 -2.742 4.716 1.00 0.00 H new ATOM 1337 N TYR A 88 -7.006 -3.010 3.545 1.00 0.00 N ATOM 1338 CA TYR A 88 -7.497 -4.373 3.378 1.00 0.00 C ATOM 1339 C TYR A 88 -6.555 -5.188 2.498 1.00 0.00 C ATOM 1340 O TYR A 88 -6.169 -4.754 1.413 1.00 0.00 O ATOM 1341 CB TYR A 88 -8.900 -4.361 2.769 1.00 0.00 C ATOM 1342 CG TYR A 88 -9.970 -3.876 3.721 1.00 0.00 C ATOM 1343 CD1 TYR A 88 -10.444 -4.693 4.739 1.00 0.00 C ATOM 1344 CD2 TYR A 88 -10.506 -2.599 3.602 1.00 0.00 C ATOM 1345 CE1 TYR A 88 -11.422 -4.255 5.610 1.00 0.00 C ATOM 1346 CE2 TYR A 88 -11.483 -2.151 4.470 1.00 0.00 C ATOM 1347 CZ TYR A 88 -11.938 -2.983 5.472 1.00 0.00 C ATOM 1348 OH TYR A 88 -12.911 -2.542 6.339 1.00 0.00 O ATOM 0 H TYR A 88 -6.747 -2.545 2.675 1.00 0.00 H new ATOM 0 HA TYR A 88 -7.539 -4.840 4.362 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -8.897 -3.724 1.884 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -9.151 -5.368 2.436 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -10.041 -5.689 4.851 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -10.153 -1.946 2.818 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -11.781 -4.904 6.395 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -11.888 -1.155 4.365 1.00 0.00 H new ATOM 0 HH TYR A 88 -13.165 -1.625 6.106 1.00 0.00 H new ATOM 1358 N GLY A 89 -6.188 -6.374 2.974 1.00 0.00 N ATOM 1359 CA GLY A 89 -5.294 -7.232 2.218 1.00 0.00 C ATOM 1360 C GLY A 89 -6.039 -8.169 1.288 1.00 0.00 C ATOM 1361 O GLY A 89 -6.288 -9.326 1.628 1.00 0.00 O ATOM 0 H GLY A 89 -6.494 -6.756 3.869 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.610 -6.615 1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.687 -7.817 2.908 1.00 0.00 H new ATOM 1365 N LEU A 90 -6.398 -7.669 0.111 1.00 0.00 N ATOM 1366 CA LEU A 90 -7.120 -8.469 -0.872 1.00 0.00 C ATOM 1367 C LEU A 90 -6.345 -9.736 -1.219 1.00 0.00 C ATOM 1368 O LEU A 90 -5.315 -9.680 -1.891 1.00 0.00 O ATOM 1369 CB LEU A 90 -7.374 -7.649 -2.138 1.00 0.00 C ATOM 1370 CG LEU A 90 -8.632 -6.780 -2.134 1.00 0.00 C ATOM 1371 CD1 LEU A 90 -9.879 -7.646 -2.039 1.00 0.00 C ATOM 1372 CD2 LEU A 90 -8.586 -5.780 -0.988 1.00 0.00 C ATOM 0 H LEU A 90 -6.201 -6.713 -0.186 1.00 0.00 H new ATOM 0 HA LEU A 90 -8.076 -8.759 -0.436 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.512 -7.004 -2.308 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -7.432 -8.333 -2.984 1.00 0.00 H new ATOM 0 HG LEU A 90 -8.670 -6.226 -3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.764 -7.010 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -9.919 -8.321 -2.894 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -9.849 -8.228 -1.118 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -9.489 -5.170 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -8.523 -6.315 -0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -7.713 -5.137 -1.101 1.00 0.00 H new ATOM 1384 N ARG A 91 -6.849 -10.876 -0.759 1.00 0.00 N ATOM 1385 CA ARG A 91 -6.204 -12.157 -1.022 1.00 0.00 C ATOM 1386 C ARG A 91 -6.858 -12.862 -2.208 1.00 0.00 C ATOM 1387 O ARG A 91 -6.772 -14.081 -2.342 1.00 0.00 O ATOM 1388 CB ARG A 91 -6.273 -13.051 0.217 1.00 0.00 C ATOM 1389 CG ARG A 91 -5.289 -14.209 0.189 1.00 0.00 C ATOM 1390 CD ARG A 91 -3.859 -13.729 0.384 1.00 0.00 C ATOM 1391 NE ARG A 91 -2.895 -14.593 -0.293 1.00 0.00 N ATOM 1392 CZ ARG A 91 -2.545 -15.794 0.152 1.00 0.00 C ATOM 1393 NH1 ARG A 91 -3.077 -16.272 1.268 1.00 0.00 N ATOM 1394 NH2 ARG A 91 -1.661 -16.520 -0.520 1.00 0.00 N ATOM 0 H ARG A 91 -7.702 -10.939 -0.203 1.00 0.00 H new ATOM 0 HA ARG A 91 -5.159 -11.966 -1.266 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -6.083 -12.445 1.103 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -7.284 -13.447 0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -5.544 -14.924 0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -5.371 -14.735 -0.762 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -3.763 -12.712 0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -3.630 -13.695 1.449 1.00 0.00 H new ATOM 0 HE ARG A 91 -2.467 -14.255 -1.155 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -3.757 -15.717 1.787 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -2.806 -17.195 1.607 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.250 -16.156 -1.379 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.393 -17.443 -0.177 1.00 0.00 H new ATOM 1408 N GLY A 92 -7.513 -12.084 -3.064 1.00 0.00 N ATOM 1409 CA GLY A 92 -8.172 -12.651 -4.226 1.00 0.00 C ATOM 1410 C GLY A 92 -9.536 -12.038 -4.475 1.00 0.00 C ATOM 1411 O GLY A 92 -9.658 -10.874 -4.857 1.00 0.00 O ATOM 0 H GLY A 92 -7.599 -11.072 -2.974 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -7.544 -12.502 -5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -8.280 -13.727 -4.090 1.00 0.00 H new ATOM 1415 N PRO A 93 -10.595 -12.833 -4.257 1.00 0.00 N ATOM 1416 CA PRO A 93 -11.976 -12.384 -4.455 1.00 0.00 C ATOM 1417 C PRO A 93 -12.407 -11.359 -3.411 1.00 0.00 C ATOM 1418 O PRO A 93 -12.912 -10.288 -3.750 1.00 0.00 O ATOM 1419 CB PRO A 93 -12.792 -13.671 -4.309 1.00 0.00 C ATOM 1420 CG PRO A 93 -11.951 -14.558 -3.457 1.00 0.00 C ATOM 1421 CD PRO A 93 -10.524 -14.231 -3.800 1.00 0.00 C ATOM 0 HA PRO A 93 -12.109 -11.885 -5.415 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.759 -13.476 -3.844 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.990 -14.126 -5.279 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.148 -14.384 -2.399 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -12.169 -15.608 -3.653 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -9.868 -14.339 -2.936 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -10.137 -14.889 -4.578 1.00 0.00 H new ATOM 1429 N HIS A 94 -12.205 -11.694 -2.141 1.00 0.00 N ATOM 1430 CA HIS A 94 -12.573 -10.801 -1.047 1.00 0.00 C ATOM 1431 C HIS A 94 -11.381 -10.547 -0.130 1.00 0.00 C ATOM 1432 O HIS A 94 -10.430 -11.329 -0.097 1.00 0.00 O ATOM 1433 CB HIS A 94 -13.732 -11.393 -0.245 1.00 0.00 C ATOM 1434 CG HIS A 94 -14.843 -11.922 -1.099 1.00 0.00 C ATOM 1435 ND1 HIS A 94 -15.863 -11.130 -1.581 1.00 0.00 N ATOM 1436 CD2 HIS A 94 -15.089 -13.172 -1.558 1.00 0.00 C ATOM 1437 CE1 HIS A 94 -16.690 -11.870 -2.298 1.00 0.00 C ATOM 1438 NE2 HIS A 94 -16.243 -13.113 -2.300 1.00 0.00 N ATOM 0 H HIS A 94 -11.789 -12.576 -1.844 1.00 0.00 H new ATOM 0 HA HIS A 94 -12.888 -9.850 -1.477 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -13.353 -12.198 0.384 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.130 -10.628 0.422 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -14.489 -14.051 -1.375 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -17.580 -11.518 -2.798 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -16.683 -13.901 -2.775 1.00 0.00 H new ATOM 1447 N LYS A 95 -11.437 -9.447 0.614 1.00 0.00 N ATOM 1448 CA LYS A 95 -10.363 -9.089 1.533 1.00 0.00 C ATOM 1449 C LYS A 95 -10.192 -10.154 2.612 1.00 0.00 C ATOM 1450 O LYS A 95 -11.170 -10.724 3.095 1.00 0.00 O ATOM 1451 CB LYS A 95 -10.650 -7.733 2.181 1.00 0.00 C ATOM 1452 CG LYS A 95 -11.860 -7.741 3.100 1.00 0.00 C ATOM 1453 CD LYS A 95 -12.551 -6.388 3.125 1.00 0.00 C ATOM 1454 CE LYS A 95 -13.537 -6.245 1.977 1.00 0.00 C ATOM 1455 NZ LYS A 95 -14.039 -4.849 1.848 1.00 0.00 N ATOM 0 H LYS A 95 -12.215 -8.788 0.598 1.00 0.00 H new ATOM 0 HA LYS A 95 -9.437 -9.024 0.962 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.775 -7.419 2.750 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.804 -6.991 1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.564 -8.504 2.769 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.549 -8.011 4.109 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.074 -6.263 4.073 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -11.805 -5.596 3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -13.057 -6.546 1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -14.378 -6.920 2.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -14.360 -4.684 0.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.833 -4.704 2.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.274 -4.183 2.078 1.00 0.00 H new ATOM 1469 N ALA A 96 -8.944 -10.416 2.986 1.00 0.00 N ATOM 1470 CA ALA A 96 -8.646 -11.409 4.010 1.00 0.00 C ATOM 1471 C ALA A 96 -8.328 -10.744 5.344 1.00 0.00 C ATOM 1472 O ALA A 96 -8.924 -11.072 6.370 1.00 0.00 O ATOM 1473 CB ALA A 96 -7.487 -12.291 3.568 1.00 0.00 C ATOM 0 H ALA A 96 -8.123 -9.954 2.595 1.00 0.00 H new ATOM 0 HA ALA A 96 -9.531 -12.031 4.146 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.275 -13.028 4.342 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -7.751 -12.803 2.643 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.603 -11.675 3.402 1.00 0.00 H new ATOM 1479 N ASP A 97 -7.384 -9.809 5.323 1.00 0.00 N ATOM 1480 CA ASP A 97 -6.987 -9.096 6.532 1.00 0.00 C ATOM 1481 C ASP A 97 -7.256 -7.601 6.395 1.00 0.00 C ATOM 1482 O ASP A 97 -7.508 -7.104 5.298 1.00 0.00 O ATOM 1483 CB ASP A 97 -5.506 -9.336 6.828 1.00 0.00 C ATOM 1484 CG ASP A 97 -5.226 -10.759 7.269 1.00 0.00 C ATOM 1485 OD1 ASP A 97 -6.101 -11.358 7.929 1.00 0.00 O ATOM 1486 OD2 ASP A 97 -4.132 -11.274 6.955 1.00 0.00 O ATOM 0 H ASP A 97 -6.880 -9.527 4.482 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.582 -9.479 7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.920 -9.113 5.936 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.178 -8.647 7.606 1.00 0.00 H new ATOM 1491 N SER A 98 -7.202 -6.890 7.517 1.00 0.00 N ATOM 1492 CA SER A 98 -7.444 -5.452 7.523 1.00 0.00 C ATOM 1493 C SER A 98 -6.823 -4.801 8.755 1.00 0.00 C ATOM 1494 O SER A 98 -6.832 -5.375 9.844 1.00 0.00 O ATOM 1495 CB SER A 98 -8.946 -5.166 7.484 1.00 0.00 C ATOM 1496 OG SER A 98 -9.547 -5.420 8.742 1.00 0.00 O ATOM 0 H SER A 98 -6.993 -7.286 8.433 1.00 0.00 H new ATOM 0 HA SER A 98 -6.977 -5.027 6.635 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.114 -4.127 7.200 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.417 -5.785 6.721 1.00 0.00 H new ATOM 0 HG SER A 98 -10.507 -5.228 8.691 1.00 0.00 H new ATOM 1502 N ILE A 99 -6.285 -3.600 8.574 1.00 0.00 N ATOM 1503 CA ILE A 99 -5.660 -2.870 9.671 1.00 0.00 C ATOM 1504 C ILE A 99 -6.278 -1.486 9.832 1.00 0.00 C ATOM 1505 O ILE A 99 -6.898 -0.961 8.907 1.00 0.00 O ATOM 1506 CB ILE A 99 -4.142 -2.721 9.455 1.00 0.00 C ATOM 1507 CG1 ILE A 99 -3.475 -2.188 10.725 1.00 0.00 C ATOM 1508 CG2 ILE A 99 -3.863 -1.801 8.276 1.00 0.00 C ATOM 1509 CD1 ILE A 99 -2.046 -2.652 10.897 1.00 0.00 C ATOM 0 H ILE A 99 -6.269 -3.111 7.679 1.00 0.00 H new ATOM 0 HA ILE A 99 -5.834 -3.451 10.577 1.00 0.00 H new ATOM 0 HB ILE A 99 -3.723 -3.702 9.232 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -3.495 -1.098 10.706 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -4.057 -2.503 11.591 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.786 -1.706 8.136 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -4.311 -2.219 7.374 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -4.292 -0.818 8.472 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -1.637 -2.236 11.818 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -2.021 -3.741 10.948 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.449 -2.314 10.050 1.00 0.00 H new ATOM 1521 N GLN A 100 -6.103 -0.900 11.012 1.00 0.00 N ATOM 1522 CA GLN A 100 -6.643 0.425 11.294 1.00 0.00 C ATOM 1523 C GLN A 100 -5.525 1.414 11.603 1.00 0.00 C ATOM 1524 O GLN A 100 -4.692 1.172 12.476 1.00 0.00 O ATOM 1525 CB GLN A 100 -7.623 0.361 12.467 1.00 0.00 C ATOM 1526 CG GLN A 100 -8.942 -0.311 12.122 1.00 0.00 C ATOM 1527 CD GLN A 100 -8.919 -1.806 12.373 1.00 0.00 C ATOM 1528 OE1 GLN A 100 -7.859 -2.433 12.358 1.00 0.00 O ATOM 1529 NE2 GLN A 100 -10.090 -2.386 12.607 1.00 0.00 N ATOM 0 H GLN A 100 -5.592 -1.321 11.788 1.00 0.00 H new ATOM 0 HA GLN A 100 -7.173 0.770 10.406 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.155 -0.177 13.291 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.822 1.373 12.819 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -9.740 0.140 12.711 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -9.176 -0.126 11.074 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -10.944 -1.828 12.610 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -10.136 -3.390 12.784 1.00 0.00 H new ATOM 1538 N GLY A 101 -5.512 2.531 10.881 1.00 0.00 N ATOM 1539 CA GLY A 101 -4.490 3.540 11.094 1.00 0.00 C ATOM 1540 C GLY A 101 -5.067 4.939 11.182 1.00 0.00 C ATOM 1541 O GLY A 101 -5.597 5.464 10.201 1.00 0.00 O ATOM 0 H GLY A 101 -6.190 2.755 10.153 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -3.948 3.315 12.012 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -3.767 3.499 10.279 1.00 0.00 H new ATOM 1545 N THR A 102 -4.966 5.546 12.360 1.00 0.00 N ATOM 1546 CA THR A 102 -5.484 6.892 12.573 1.00 0.00 C ATOM 1547 C THR A 102 -4.384 7.936 12.417 1.00 0.00 C ATOM 1548 O THR A 102 -3.227 7.686 12.753 1.00 0.00 O ATOM 1549 CB THR A 102 -6.118 7.035 13.970 1.00 0.00 C ATOM 1550 OG1 THR A 102 -5.283 6.413 14.953 1.00 0.00 O ATOM 1551 CG2 THR A 102 -7.503 6.407 14.002 1.00 0.00 C ATOM 0 H THR A 102 -4.530 5.127 13.181 1.00 0.00 H new ATOM 0 HA THR A 102 -6.250 7.060 11.816 1.00 0.00 H new ATOM 0 HB THR A 102 -6.213 8.097 14.195 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.692 6.510 15.838 1.00 0.00 H new ATOM 0 HG21 THR A 102 -7.931 6.520 14.998 1.00 0.00 H new ATOM 0 HG22 THR A 102 -8.144 6.903 13.273 1.00 0.00 H new ATOM 0 HG23 THR A 102 -7.428 5.347 13.758 1.00 0.00 H new ATOM 1559 N ALA A 103 -4.753 9.106 11.906 1.00 0.00 N ATOM 1560 CA ALA A 103 -3.798 10.188 11.709 1.00 0.00 C ATOM 1561 C ALA A 103 -4.497 11.543 11.700 1.00 0.00 C ATOM 1562 O ALA A 103 -5.607 11.676 11.184 1.00 0.00 O ATOM 1563 CB ALA A 103 -3.027 9.982 10.413 1.00 0.00 C ATOM 0 H ALA A 103 -5.707 9.328 11.621 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.096 10.176 12.543 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -2.317 10.798 10.278 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.488 9.035 10.457 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.723 9.965 9.574 1.00 0.00 H new ATOM 1569 N ARG A 104 -3.842 12.546 12.276 1.00 0.00 N ATOM 1570 CA ARG A 104 -4.403 13.891 12.336 1.00 0.00 C ATOM 1571 C ARG A 104 -3.645 14.838 11.411 1.00 0.00 C ATOM 1572 O ARG A 104 -2.443 15.051 11.572 1.00 0.00 O ATOM 1573 CB ARG A 104 -4.361 14.420 13.771 1.00 0.00 C ATOM 1574 CG ARG A 104 -5.458 15.425 14.082 1.00 0.00 C ATOM 1575 CD ARG A 104 -5.528 15.731 15.569 1.00 0.00 C ATOM 1576 NE ARG A 104 -4.221 16.082 16.118 1.00 0.00 N ATOM 1577 CZ ARG A 104 -4.048 16.607 17.326 1.00 0.00 C ATOM 1578 NH1 ARG A 104 -5.094 16.840 18.107 1.00 0.00 N ATOM 1579 NH2 ARG A 104 -2.827 16.900 17.756 1.00 0.00 N ATOM 0 H ARG A 104 -2.923 12.453 12.708 1.00 0.00 H new ATOM 0 HA ARG A 104 -5.440 13.840 12.005 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.443 13.580 14.461 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -3.392 14.886 13.949 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -5.277 16.346 13.528 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -6.418 15.034 13.744 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -6.224 16.552 15.738 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -5.923 14.864 16.099 1.00 0.00 H new ATOM 0 HE ARG A 104 -3.396 15.915 15.542 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -6.034 16.616 17.781 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -4.959 17.243 19.034 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -2.020 16.722 17.159 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -2.696 17.303 18.684 1.00 0.00 H new ATOM 1593 N THR A 105 -4.356 15.403 10.440 1.00 0.00 N ATOM 1594 CA THR A 105 -3.751 16.326 9.488 1.00 0.00 C ATOM 1595 C THR A 105 -3.266 17.593 10.182 1.00 0.00 C ATOM 1596 O THR A 105 -3.479 17.776 11.382 1.00 0.00 O ATOM 1597 CB THR A 105 -4.740 16.711 8.372 1.00 0.00 C ATOM 1598 OG1 THR A 105 -5.981 17.140 8.945 1.00 0.00 O ATOM 1599 CG2 THR A 105 -4.987 15.536 7.438 1.00 0.00 C ATOM 0 H THR A 105 -5.352 15.237 10.292 1.00 0.00 H new ATOM 0 HA THR A 105 -2.899 15.809 9.045 1.00 0.00 H new ATOM 0 HB THR A 105 -4.304 17.527 7.796 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.490 17.649 8.280 1.00 0.00 H new ATOM 0 HG21 THR A 105 -5.689 15.832 6.658 1.00 0.00 H new ATOM 0 HG22 THR A 105 -4.046 15.230 6.982 1.00 0.00 H new ATOM 0 HG23 THR A 105 -5.404 14.703 8.004 1.00 0.00 H new ATOM 1607 N LEU A 106 -2.616 18.467 9.422 1.00 0.00 N ATOM 1608 CA LEU A 106 -2.101 19.720 9.964 1.00 0.00 C ATOM 1609 C LEU A 106 -3.040 20.878 9.643 1.00 0.00 C ATOM 1610 O LEU A 106 -3.721 20.873 8.617 1.00 0.00 O ATOM 1611 CB LEU A 106 -0.707 20.007 9.404 1.00 0.00 C ATOM 1612 CG LEU A 106 0.384 19.000 9.769 1.00 0.00 C ATOM 1613 CD1 LEU A 106 1.668 19.308 9.015 1.00 0.00 C ATOM 1614 CD2 LEU A 106 0.631 19.002 11.270 1.00 0.00 C ATOM 0 H LEU A 106 -2.433 18.331 8.428 1.00 0.00 H new ATOM 0 HA LEU A 106 -2.036 19.619 11.047 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.777 20.058 8.317 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -0.394 20.992 9.750 1.00 0.00 H new ATOM 0 HG LEU A 106 0.046 18.005 9.478 1.00 0.00 H new ATOM 0 HD11 LEU A 106 2.433 18.581 9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 106 1.482 19.254 7.942 1.00 0.00 H new ATOM 0 HD13 LEU A 106 2.011 20.310 9.274 1.00 0.00 H new ATOM 0 HD21 LEU A 106 1.410 18.279 11.511 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.948 19.996 11.585 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.288 18.732 11.790 1.00 0.00 H new ATOM 1626 N SER A 107 -3.069 21.872 10.526 1.00 0.00 N ATOM 1627 CA SER A 107 -3.925 23.037 10.337 1.00 0.00 C ATOM 1628 C SER A 107 -3.358 23.960 9.263 1.00 0.00 C ATOM 1629 O SER A 107 -4.101 24.565 8.492 1.00 0.00 O ATOM 1630 CB SER A 107 -4.080 23.802 11.653 1.00 0.00 C ATOM 1631 OG SER A 107 -4.746 25.036 11.451 1.00 0.00 O ATOM 0 H SER A 107 -2.510 21.893 11.379 1.00 0.00 H new ATOM 0 HA SER A 107 -4.905 22.687 10.011 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.639 23.196 12.366 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.098 23.983 12.090 1.00 0.00 H new ATOM 0 HG SER A 107 -4.834 25.504 12.307 1.00 0.00 H new ATOM 1637 N GLY A 108 -2.033 24.062 9.219 1.00 0.00 N ATOM 1638 CA GLY A 108 -1.386 24.913 8.237 1.00 0.00 C ATOM 1639 C GLY A 108 -0.696 26.106 8.868 1.00 0.00 C ATOM 1640 O GLY A 108 -0.811 26.353 10.069 1.00 0.00 O ATOM 0 H GLY A 108 -1.396 23.570 9.846 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -0.655 24.328 7.679 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -2.128 25.264 7.520 1.00 0.00 H new ATOM 1644 N PRO A 109 0.041 26.870 8.048 1.00 0.00 N ATOM 1645 CA PRO A 109 0.768 28.055 8.511 1.00 0.00 C ATOM 1646 C PRO A 109 -0.168 29.197 8.892 1.00 0.00 C ATOM 1647 O PRO A 109 0.218 30.114 9.617 1.00 0.00 O ATOM 1648 CB PRO A 109 1.621 28.444 7.301 1.00 0.00 C ATOM 1649 CG PRO A 109 0.884 27.897 6.127 1.00 0.00 C ATOM 1650 CD PRO A 109 0.222 26.634 6.606 1.00 0.00 C ATOM 0 HA PRO A 109 1.348 27.851 9.411 1.00 0.00 H new ATOM 0 HB2 PRO A 109 1.735 29.526 7.228 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.623 28.022 7.371 1.00 0.00 H new ATOM 0 HG2 PRO A 109 0.145 28.611 5.763 1.00 0.00 H new ATOM 0 HG3 PRO A 109 1.564 27.692 5.300 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -0.730 26.464 6.104 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.843 25.758 6.417 1.00 0.00 H new ATOM 1658 N SER A 110 -1.401 29.135 8.399 1.00 0.00 N ATOM 1659 CA SER A 110 -2.392 30.166 8.685 1.00 0.00 C ATOM 1660 C SER A 110 -2.411 30.503 10.173 1.00 0.00 C ATOM 1661 O SER A 110 -2.142 31.638 10.567 1.00 0.00 O ATOM 1662 CB SER A 110 -3.780 29.707 8.237 1.00 0.00 C ATOM 1663 OG SER A 110 -4.743 30.729 8.430 1.00 0.00 O ATOM 0 H SER A 110 -1.738 28.382 7.800 1.00 0.00 H new ATOM 0 HA SER A 110 -2.117 31.063 8.130 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.751 29.425 7.185 1.00 0.00 H new ATOM 0 HB3 SER A 110 -4.071 28.819 8.797 1.00 0.00 H new ATOM 0 HG SER A 110 -5.621 30.411 8.134 1.00 0.00 H new ATOM 1669 N SER A 111 -2.731 29.508 10.994 1.00 0.00 N ATOM 1670 CA SER A 111 -2.789 29.699 12.439 1.00 0.00 C ATOM 1671 C SER A 111 -1.499 30.326 12.957 1.00 0.00 C ATOM 1672 O SER A 111 -0.534 30.493 12.212 1.00 0.00 O ATOM 1673 CB SER A 111 -3.038 28.363 13.141 1.00 0.00 C ATOM 1674 OG SER A 111 -3.395 28.558 14.499 1.00 0.00 O ATOM 0 H SER A 111 -2.954 28.562 10.684 1.00 0.00 H new ATOM 0 HA SER A 111 -3.614 30.376 12.658 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.832 27.821 12.627 1.00 0.00 H new ATOM 0 HB3 SER A 111 -2.142 27.746 13.083 1.00 0.00 H new ATOM 0 HG SER A 111 -3.550 27.689 14.924 1.00 0.00 H new ATOM 1680 N GLY A 112 -1.490 30.672 14.241 1.00 0.00 N ATOM 1681 CA GLY A 112 -0.314 31.277 14.838 1.00 0.00 C ATOM 1682 C GLY A 112 -0.033 32.662 14.290 1.00 0.00 C ATOM 1683 O GLY A 112 -0.894 33.541 14.335 1.00 0.00 O ATOM 0 H GLY A 112 -2.276 30.544 14.878 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -0.449 31.337 15.918 1.00 0.00 H new ATOM 0 HA3 GLY A 112 0.550 30.637 14.660 1.00 0.00 H new TER 1687 GLY A 112