USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 917 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 112 MET CE :methyl -118:sc= -0.0415 (180deg=-0.142) USER MOD Set 1.2: A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 29 HIS : no HD1:sc= 0.941 K(o=2.2,f=-4.3!) USER MOD Set 2.3: A 32 TYR OH : rot 134:sc= 1.28 USER MOD Single : A 1 GLY N :NH3+ 144:sc= 0.0302 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -56:sc= 0.00127 USER MOD Single : A 5 SER OG : rot -170:sc= 0 USER MOD Single : A 6 SER OG : rot 11:sc= 0.943 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -0.528 X(o=-0.53,f=-0.06) USER MOD Single : A 16 TYR OH : rot -39:sc= 0.018 USER MOD Single : A 17 CYS SG : rot 29:sc= 0.465 USER MOD Single : A 19 SER OG : rot -99:sc= 0.738 USER MOD Single : A 24 MET CE :methyl -127:sc=-0.00326 (180deg=-0.379) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0218 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.374 USER MOD Single : A 38 LYS NZ :NH3+ -154:sc= -0.231 (180deg=-1.06) USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 TYR OH : rot 165:sc= -0.883 USER MOD Single : A 51 HIS : no HD1:sc= -0.0432 X(o=-0.043,f=-0.25) USER MOD Single : A 55 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0918) USER MOD Single : A 56 HIS : no HE2:sc= -0.0934 K(o=-0.093,f=-4.9!) USER MOD Single : A 58 MET CE :methyl 175:sc= -2.53 (180deg=-2.79) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 178:sc= 0.642 (180deg=0.641) USER MOD Single : A 67 MET CE :methyl -123:sc= -1.5 (180deg=-8.55!) USER MOD Single : A 72 TYR OH : rot -60:sc= -0.891 USER MOD Single : A 76 GLN : amide:sc= -0.0223 X(o=-0.022,f=-0.022) USER MOD Single : A 85 MET CE :methyl -155:sc= -0.653 (180deg=-2.2!) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= -0.176 K(o=-0.18,f=-2.2) USER MOD Single : A 89 CYS SG : rot -43:sc= 0.223 USER MOD Single : A 90 TYR OH : rot 180:sc= -1.87 USER MOD Single : A 91 LYS NZ :NH3+ -153:sc= 1.16 (180deg=0.245) USER MOD Single : A 92 TYR OH : rot 30:sc= -2.03! USER MOD Single : A 93 ASN :FLIP amide:sc= -2.15! C(o=-3.5!,f=-2.1!) USER MOD Single : A 97 HIS : no HD1:sc= -2.44! C(o=-2.4!,f=-7.2!) USER MOD Single : A 102 MET CE :methyl -143:sc= -4.05! (180deg=-6.93!) USER MOD Single : A 105 LYS NZ :NH3+ -131:sc= 0.253 (180deg=0) USER MOD Single : A 107 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 117 MET CE :methyl 152:sc= -0.182 (180deg=-0.897) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.497 8.918 18.496 1.00 0.00 N ATOM 2 CA GLY A 1 -11.785 9.552 18.278 1.00 0.00 C ATOM 3 C GLY A 1 -12.909 8.546 18.133 1.00 0.00 C ATOM 4 O GLY A 1 -12.695 7.429 17.661 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.755 9.463 18.012 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.294 8.886 19.515 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.518 7.950 18.117 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.004 10.219 19.112 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.736 10.169 17.381 1.00 0.00 H new ATOM 8 N SER A 2 -14.111 8.940 18.542 1.00 0.00 N ATOM 9 CA SER A 2 -15.272 8.063 18.460 1.00 0.00 C ATOM 10 C SER A 2 -16.243 8.544 17.386 1.00 0.00 C ATOM 11 O SER A 2 -16.566 9.730 17.312 1.00 0.00 O ATOM 12 CB SER A 2 -15.983 7.996 19.813 1.00 0.00 C ATOM 13 OG SER A 2 -17.130 7.165 19.746 1.00 0.00 O ATOM 0 H SER A 2 -14.306 9.861 18.934 1.00 0.00 H new ATOM 0 HA SER A 2 -14.924 7.066 18.190 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.297 7.614 20.569 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.274 8.999 20.124 1.00 0.00 H new ATOM 0 HG SER A 2 -17.566 7.137 20.623 1.00 0.00 H new ATOM 19 N SER A 3 -16.704 7.615 16.555 1.00 0.00 N ATOM 20 CA SER A 3 -17.635 7.944 15.482 1.00 0.00 C ATOM 21 C SER A 3 -17.205 9.218 14.761 1.00 0.00 C ATOM 22 O SER A 3 -18.031 10.071 14.436 1.00 0.00 O ATOM 23 CB SER A 3 -19.050 8.113 16.039 1.00 0.00 C ATOM 24 OG SER A 3 -20.023 7.919 15.027 1.00 0.00 O ATOM 0 H SER A 3 -16.448 6.629 16.604 1.00 0.00 H new ATOM 0 HA SER A 3 -17.630 7.122 14.766 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.214 7.400 16.847 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.159 9.110 16.467 1.00 0.00 H new ATOM 0 HG SER A 3 -19.852 8.537 14.286 1.00 0.00 H new ATOM 30 N GLY A 4 -15.904 9.341 14.514 1.00 0.00 N ATOM 31 CA GLY A 4 -15.385 10.513 13.833 1.00 0.00 C ATOM 32 C GLY A 4 -13.942 10.802 14.195 1.00 0.00 C ATOM 33 O GLY A 4 -13.615 10.996 15.366 1.00 0.00 O ATOM 0 H GLY A 4 -15.200 8.650 14.773 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.464 10.368 12.756 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.000 11.377 14.084 1.00 0.00 H new ATOM 37 N SER A 5 -13.075 10.828 13.188 1.00 0.00 N ATOM 38 CA SER A 5 -11.657 11.090 13.406 1.00 0.00 C ATOM 39 C SER A 5 -11.390 12.588 13.506 1.00 0.00 C ATOM 40 O SER A 5 -11.184 13.262 12.496 1.00 0.00 O ATOM 41 CB SER A 5 -10.825 10.486 12.273 1.00 0.00 C ATOM 42 OG SER A 5 -10.950 9.075 12.244 1.00 0.00 O ATOM 0 H SER A 5 -13.330 10.671 12.213 1.00 0.00 H new ATOM 0 HA SER A 5 -11.368 10.624 14.348 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.148 10.902 11.319 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.778 10.759 12.402 1.00 0.00 H new ATOM 0 HG SER A 5 -10.293 8.701 11.620 1.00 0.00 H new ATOM 48 N SER A 6 -11.395 13.104 14.731 1.00 0.00 N ATOM 49 CA SER A 6 -11.157 14.524 14.964 1.00 0.00 C ATOM 50 C SER A 6 -9.875 14.980 14.274 1.00 0.00 C ATOM 51 O SER A 6 -8.778 14.562 14.640 1.00 0.00 O ATOM 52 CB SER A 6 -11.072 14.809 16.465 1.00 0.00 C ATOM 53 OG SER A 6 -9.876 14.285 17.016 1.00 0.00 O ATOM 0 H SER A 6 -11.561 12.560 15.578 1.00 0.00 H new ATOM 0 HA SER A 6 -11.994 15.082 14.543 1.00 0.00 H new ATOM 0 HB2 SER A 6 -11.115 15.884 16.637 1.00 0.00 H new ATOM 0 HB3 SER A 6 -11.932 14.370 16.971 1.00 0.00 H new ATOM 0 HG SER A 6 -9.276 14.008 16.292 1.00 0.00 H new ATOM 59 N GLY A 7 -10.024 15.843 13.273 1.00 0.00 N ATOM 60 CA GLY A 7 -8.870 16.342 12.547 1.00 0.00 C ATOM 61 C GLY A 7 -7.841 16.978 13.461 1.00 0.00 C ATOM 62 O GLY A 7 -8.046 17.069 14.671 1.00 0.00 O ATOM 0 H GLY A 7 -10.922 16.205 12.952 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.407 15.522 11.999 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.198 17.074 11.809 1.00 0.00 H new ATOM 66 N GLY A 8 -6.729 17.418 12.881 1.00 0.00 N ATOM 67 CA GLY A 8 -5.679 18.041 13.666 1.00 0.00 C ATOM 68 C GLY A 8 -4.325 17.965 12.989 1.00 0.00 C ATOM 69 O GLY A 8 -3.740 16.888 12.872 1.00 0.00 O ATOM 0 H GLY A 8 -6.536 17.354 11.881 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.934 19.086 13.844 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.622 17.556 14.641 1.00 0.00 H new ATOM 73 N LYS A 9 -3.825 19.111 12.539 1.00 0.00 N ATOM 74 CA LYS A 9 -2.532 19.171 11.869 1.00 0.00 C ATOM 75 C LYS A 9 -2.541 18.336 10.592 1.00 0.00 C ATOM 76 O LYS A 9 -1.518 17.773 10.199 1.00 0.00 O ATOM 77 CB LYS A 9 -1.426 18.679 12.805 1.00 0.00 C ATOM 78 CG LYS A 9 -0.983 19.717 13.822 1.00 0.00 C ATOM 79 CD LYS A 9 -2.081 20.012 14.831 1.00 0.00 C ATOM 80 CE LYS A 9 -2.323 18.827 15.753 1.00 0.00 C ATOM 81 NZ LYS A 9 -3.014 19.234 17.008 1.00 0.00 N ATOM 0 H LYS A 9 -4.296 20.011 12.626 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.338 20.210 11.601 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.776 17.792 13.333 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.565 18.376 12.209 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.094 19.361 14.343 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.704 20.636 13.307 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.807 20.885 15.423 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -3.003 20.260 14.305 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.923 18.079 15.234 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.371 18.357 15.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -3.161 18.399 17.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -2.430 19.929 17.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.934 19.659 16.775 1.00 0.00 H new ATOM 95 N LEU A 10 -3.701 18.261 9.949 1.00 0.00 N ATOM 96 CA LEU A 10 -3.843 17.495 8.715 1.00 0.00 C ATOM 97 C LEU A 10 -4.739 18.226 7.721 1.00 0.00 C ATOM 98 O LEU A 10 -5.677 18.921 8.110 1.00 0.00 O ATOM 99 CB LEU A 10 -4.418 16.110 9.015 1.00 0.00 C ATOM 100 CG LEU A 10 -3.493 15.146 9.760 1.00 0.00 C ATOM 101 CD1 LEU A 10 -4.304 14.172 10.601 1.00 0.00 C ATOM 102 CD2 LEU A 10 -2.604 14.395 8.780 1.00 0.00 C ATOM 0 H LEU A 10 -4.556 18.721 10.261 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.854 17.382 8.270 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.328 16.236 9.602 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -4.709 15.647 8.072 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.855 15.727 10.426 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.630 13.494 11.124 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.897 14.726 11.328 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.967 13.597 9.954 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.953 13.714 9.328 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -3.225 13.826 8.088 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.997 15.107 8.221 1.00 0.00 H new ATOM 114 N SER A 11 -4.444 18.063 6.435 1.00 0.00 N ATOM 115 CA SER A 11 -5.222 18.708 5.384 1.00 0.00 C ATOM 116 C SER A 11 -6.700 18.351 5.505 1.00 0.00 C ATOM 117 O SER A 11 -7.051 17.271 5.978 1.00 0.00 O ATOM 118 CB SER A 11 -4.698 18.298 4.007 1.00 0.00 C ATOM 119 OG SER A 11 -5.443 18.916 2.972 1.00 0.00 O ATOM 0 H SER A 11 -3.672 17.490 6.096 1.00 0.00 H new ATOM 0 HA SER A 11 -5.116 19.787 5.498 1.00 0.00 H new ATOM 0 HB2 SER A 11 -3.647 18.574 3.917 1.00 0.00 H new ATOM 0 HB3 SER A 11 -4.753 17.215 3.902 1.00 0.00 H new ATOM 0 HG SER A 11 -5.087 18.639 2.102 1.00 0.00 H new ATOM 125 N GLU A 12 -7.562 19.267 5.075 1.00 0.00 N ATOM 126 CA GLU A 12 -9.002 19.049 5.136 1.00 0.00 C ATOM 127 C GLU A 12 -9.356 17.627 4.711 1.00 0.00 C ATOM 128 O GLU A 12 -10.308 17.034 5.220 1.00 0.00 O ATOM 129 CB GLU A 12 -9.731 20.056 4.243 1.00 0.00 C ATOM 130 CG GLU A 12 -9.398 19.913 2.767 1.00 0.00 C ATOM 131 CD GLU A 12 -9.599 21.203 1.996 1.00 0.00 C ATOM 132 OE1 GLU A 12 -10.555 21.941 2.314 1.00 0.00 O ATOM 133 OE2 GLU A 12 -8.800 21.475 1.075 1.00 0.00 O ATOM 0 H GLU A 12 -7.288 20.167 4.681 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.321 19.191 6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.806 19.937 4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.479 21.066 4.568 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.363 19.589 2.662 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.022 19.133 2.331 1.00 0.00 H new ATOM 140 N HIS A 13 -8.583 17.086 3.775 1.00 0.00 N ATOM 141 CA HIS A 13 -8.814 15.733 3.281 1.00 0.00 C ATOM 142 C HIS A 13 -7.998 14.718 4.076 1.00 0.00 C ATOM 143 O HIS A 13 -8.538 13.736 4.588 1.00 0.00 O ATOM 144 CB HIS A 13 -8.457 15.641 1.797 1.00 0.00 C ATOM 145 CG HIS A 13 -9.361 16.444 0.913 1.00 0.00 C ATOM 146 ND1 HIS A 13 -8.987 16.894 -0.336 1.00 0.00 N ATOM 147 CD2 HIS A 13 -10.630 16.876 1.103 1.00 0.00 C ATOM 148 CE1 HIS A 13 -9.986 17.569 -0.875 1.00 0.00 C ATOM 149 NE2 HIS A 13 -10.995 17.573 -0.022 1.00 0.00 N ATOM 0 H HIS A 13 -7.792 17.563 3.343 1.00 0.00 H new ATOM 0 HA HIS A 13 -9.872 15.502 3.408 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -7.431 15.980 1.657 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -8.493 14.597 1.487 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -11.241 16.704 1.977 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -9.979 18.038 -1.848 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -11.898 18.021 -0.175 1.00 0.00 H new ATOM 157 N LEU A 14 -6.696 14.960 4.175 1.00 0.00 N ATOM 158 CA LEU A 14 -5.805 14.066 4.907 1.00 0.00 C ATOM 159 C LEU A 14 -6.470 13.559 6.182 1.00 0.00 C ATOM 160 O LEU A 14 -6.613 12.352 6.382 1.00 0.00 O ATOM 161 CB LEU A 14 -4.499 14.785 5.251 1.00 0.00 C ATOM 162 CG LEU A 14 -3.383 14.685 4.210 1.00 0.00 C ATOM 163 CD1 LEU A 14 -2.175 15.501 4.642 1.00 0.00 C ATOM 164 CD2 LEU A 14 -2.994 13.232 3.983 1.00 0.00 C ATOM 0 H LEU A 14 -6.233 15.768 3.758 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.585 13.210 4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.721 15.839 5.416 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.126 14.386 6.194 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.753 15.092 3.269 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.391 15.418 3.889 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.463 16.547 4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.804 15.125 5.595 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.199 13.180 3.239 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.644 12.799 4.920 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.860 12.675 3.627 1.00 0.00 H new ATOM 176 N ARG A 15 -6.877 14.487 7.041 1.00 0.00 N ATOM 177 CA ARG A 15 -7.528 14.134 8.297 1.00 0.00 C ATOM 178 C ARG A 15 -8.468 12.948 8.106 1.00 0.00 C ATOM 179 O ARG A 15 -8.503 12.032 8.928 1.00 0.00 O ATOM 180 CB ARG A 15 -8.306 15.331 8.847 1.00 0.00 C ATOM 181 CG ARG A 15 -9.341 15.882 7.880 1.00 0.00 C ATOM 182 CD ARG A 15 -9.929 17.192 8.380 1.00 0.00 C ATOM 183 NE ARG A 15 -11.102 16.979 9.222 1.00 0.00 N ATOM 184 CZ ARG A 15 -12.226 16.418 8.790 1.00 0.00 C ATOM 185 NH1 ARG A 15 -12.327 16.015 7.531 1.00 0.00 N ATOM 186 NH2 ARG A 15 -13.251 16.258 9.617 1.00 0.00 N ATOM 0 H ARG A 15 -6.767 15.490 6.890 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.755 13.852 9.012 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.805 15.036 9.770 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.603 16.123 9.104 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.882 16.037 6.904 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.139 15.152 7.745 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.172 17.737 8.944 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.202 17.815 7.528 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.056 17.277 10.196 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.541 16.135 6.892 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.191 15.584 7.201 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -13.177 16.566 10.587 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.113 15.827 9.283 1.00 0.00 H new ATOM 200 N TYR A 16 -9.229 12.971 7.018 1.00 0.00 N ATOM 201 CA TYR A 16 -10.172 11.899 6.721 1.00 0.00 C ATOM 202 C TYR A 16 -9.443 10.656 6.218 1.00 0.00 C ATOM 203 O TYR A 16 -9.767 9.534 6.607 1.00 0.00 O ATOM 204 CB TYR A 16 -11.191 12.362 5.679 1.00 0.00 C ATOM 205 CG TYR A 16 -12.115 11.263 5.205 1.00 0.00 C ATOM 206 CD1 TYR A 16 -11.665 10.278 4.334 1.00 0.00 C ATOM 207 CD2 TYR A 16 -13.437 11.208 5.629 1.00 0.00 C ATOM 208 CE1 TYR A 16 -12.506 9.273 3.897 1.00 0.00 C ATOM 209 CE2 TYR A 16 -14.284 10.205 5.199 1.00 0.00 C ATOM 210 CZ TYR A 16 -13.814 9.240 4.333 1.00 0.00 C ATOM 211 OH TYR A 16 -14.654 8.239 3.902 1.00 0.00 O ATOM 0 H TYR A 16 -9.212 13.721 6.326 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.695 11.644 7.643 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.788 13.170 6.101 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -10.659 12.773 4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.640 10.299 3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -13.809 11.962 6.306 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -12.141 8.517 3.217 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.309 10.177 5.539 1.00 0.00 H new ATOM 0 HH TYR A 16 -14.484 8.055 2.955 1.00 0.00 H new ATOM 221 N CYS A 17 -8.457 10.866 5.354 1.00 0.00 N ATOM 222 CA CYS A 17 -7.681 9.764 4.797 1.00 0.00 C ATOM 223 C CYS A 17 -7.045 8.932 5.906 1.00 0.00 C ATOM 224 O CYS A 17 -7.179 7.708 5.932 1.00 0.00 O ATOM 225 CB CYS A 17 -6.598 10.298 3.859 1.00 0.00 C ATOM 226 SG CYS A 17 -7.235 11.000 2.319 1.00 0.00 S ATOM 0 H CYS A 17 -8.176 11.789 5.024 1.00 0.00 H new ATOM 0 HA CYS A 17 -8.359 9.125 4.231 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.023 11.061 4.383 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.909 9.488 3.619 1.00 0.00 H new ATOM 0 HG CYS A 17 -8.428 11.477 2.520 1.00 0.00 H new ATOM 232 N ASP A 18 -6.352 9.604 6.818 1.00 0.00 N ATOM 233 CA ASP A 18 -5.694 8.927 7.930 1.00 0.00 C ATOM 234 C ASP A 18 -6.531 7.750 8.421 1.00 0.00 C ATOM 235 O ASP A 18 -5.995 6.751 8.900 1.00 0.00 O ATOM 236 CB ASP A 18 -5.447 9.907 9.078 1.00 0.00 C ATOM 237 CG ASP A 18 -4.548 9.326 10.152 1.00 0.00 C ATOM 238 OD1 ASP A 18 -4.920 8.289 10.739 1.00 0.00 O ATOM 239 OD2 ASP A 18 -3.473 9.910 10.406 1.00 0.00 O ATOM 0 H ASP A 18 -6.231 10.617 6.810 1.00 0.00 H new ATOM 0 HA ASP A 18 -4.736 8.546 7.576 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -4.996 10.817 8.684 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -6.401 10.191 9.521 1.00 0.00 H new ATOM 244 N SER A 19 -7.849 7.876 8.300 1.00 0.00 N ATOM 245 CA SER A 19 -8.761 6.825 8.737 1.00 0.00 C ATOM 246 C SER A 19 -8.780 5.673 7.736 1.00 0.00 C ATOM 247 O SER A 19 -8.627 4.510 8.110 1.00 0.00 O ATOM 248 CB SER A 19 -10.173 7.386 8.913 1.00 0.00 C ATOM 249 OG SER A 19 -10.828 7.520 7.664 1.00 0.00 O ATOM 0 H SER A 19 -8.309 8.695 7.903 1.00 0.00 H new ATOM 0 HA SER A 19 -8.407 6.446 9.696 1.00 0.00 H new ATOM 0 HB2 SER A 19 -10.751 6.728 9.561 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.123 8.356 9.407 1.00 0.00 H new ATOM 0 HG SER A 19 -10.769 8.450 7.362 1.00 0.00 H new ATOM 255 N ILE A 20 -8.970 6.006 6.464 1.00 0.00 N ATOM 256 CA ILE A 20 -9.009 5.001 5.409 1.00 0.00 C ATOM 257 C ILE A 20 -7.951 3.926 5.635 1.00 0.00 C ATOM 258 O ILE A 20 -8.146 2.763 5.280 1.00 0.00 O ATOM 259 CB ILE A 20 -8.795 5.632 4.021 1.00 0.00 C ATOM 260 CG1 ILE A 20 -9.848 6.711 3.759 1.00 0.00 C ATOM 261 CG2 ILE A 20 -8.843 4.563 2.940 1.00 0.00 C ATOM 262 CD1 ILE A 20 -9.747 7.333 2.385 1.00 0.00 C ATOM 0 H ILE A 20 -9.099 6.964 6.139 1.00 0.00 H new ATOM 0 HA ILE A 20 -9.999 4.547 5.443 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.810 6.099 3.999 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -10.840 6.276 3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.749 7.494 4.511 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -8.690 5.025 1.965 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -8.059 3.828 3.120 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -9.815 4.069 2.959 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -10.524 8.089 2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -8.768 7.798 2.267 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -9.876 6.561 1.626 1.00 0.00 H new ATOM 274 N LEU A 21 -6.831 4.322 6.229 1.00 0.00 N ATOM 275 CA LEU A 21 -5.741 3.392 6.505 1.00 0.00 C ATOM 276 C LEU A 21 -6.026 2.578 7.763 1.00 0.00 C ATOM 277 O LEU A 21 -5.844 1.360 7.780 1.00 0.00 O ATOM 278 CB LEU A 21 -4.423 4.153 6.664 1.00 0.00 C ATOM 279 CG LEU A 21 -3.221 3.325 7.119 1.00 0.00 C ATOM 280 CD1 LEU A 21 -2.902 2.242 6.100 1.00 0.00 C ATOM 281 CD2 LEU A 21 -2.012 4.220 7.345 1.00 0.00 C ATOM 0 H LEU A 21 -6.653 5.281 6.529 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.658 2.707 5.662 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.178 4.618 5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.576 4.959 7.382 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.473 2.843 8.064 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.044 1.663 6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.763 1.583 5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.670 2.703 5.140 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.166 3.614 7.668 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.758 4.731 6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.244 4.958 8.113 1.00 0.00 H new ATOM 293 N ARG A 22 -6.474 3.257 8.813 1.00 0.00 N ATOM 294 CA ARG A 22 -6.785 2.596 10.075 1.00 0.00 C ATOM 295 C ARG A 22 -7.839 1.511 9.875 1.00 0.00 C ATOM 296 O ARG A 22 -7.899 0.544 10.633 1.00 0.00 O ATOM 297 CB ARG A 22 -7.277 3.617 11.102 1.00 0.00 C ATOM 298 CG ARG A 22 -8.783 3.823 11.083 1.00 0.00 C ATOM 299 CD ARG A 22 -9.488 2.871 12.037 1.00 0.00 C ATOM 300 NE ARG A 22 -9.381 3.308 13.426 1.00 0.00 N ATOM 301 CZ ARG A 22 -10.112 4.289 13.945 1.00 0.00 C ATOM 302 NH1 ARG A 22 -10.997 4.929 13.194 1.00 0.00 N ATOM 303 NH2 ARG A 22 -9.958 4.630 15.218 1.00 0.00 N ATOM 0 H ARG A 22 -6.630 4.265 8.815 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.873 2.128 10.446 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.976 3.292 12.098 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -6.786 4.572 10.916 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.014 4.852 11.358 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.159 3.671 10.071 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.540 2.795 11.761 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.059 1.874 11.937 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.709 2.835 14.030 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -11.118 4.669 12.215 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -11.557 5.682 13.595 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.278 4.139 15.799 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -10.519 5.383 15.616 1.00 0.00 H new ATOM 317 N GLU A 23 -8.669 1.681 8.850 1.00 0.00 N ATOM 318 CA GLU A 23 -9.721 0.717 8.553 1.00 0.00 C ATOM 319 C GLU A 23 -9.149 -0.517 7.861 1.00 0.00 C ATOM 320 O GLU A 23 -9.445 -1.649 8.242 1.00 0.00 O ATOM 321 CB GLU A 23 -10.796 1.357 7.671 1.00 0.00 C ATOM 322 CG GLU A 23 -11.520 0.364 6.777 1.00 0.00 C ATOM 323 CD GLU A 23 -12.918 0.823 6.410 1.00 0.00 C ATOM 324 OE1 GLU A 23 -13.041 1.752 5.585 1.00 0.00 O ATOM 325 OE2 GLU A 23 -13.890 0.251 6.947 1.00 0.00 O ATOM 0 H GLU A 23 -8.633 2.476 8.213 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.171 0.408 9.496 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -11.525 1.859 8.307 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -10.335 2.124 7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -10.941 0.211 5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -11.579 -0.600 7.283 1.00 0.00 H new ATOM 332 N MET A 24 -8.328 -0.289 6.841 1.00 0.00 N ATOM 333 CA MET A 24 -7.713 -1.382 6.097 1.00 0.00 C ATOM 334 C MET A 24 -6.852 -2.247 7.012 1.00 0.00 C ATOM 335 O MET A 24 -6.501 -3.376 6.666 1.00 0.00 O ATOM 336 CB MET A 24 -6.864 -0.831 4.949 1.00 0.00 C ATOM 337 CG MET A 24 -7.678 -0.129 3.874 1.00 0.00 C ATOM 338 SD MET A 24 -6.912 -0.232 2.245 1.00 0.00 S ATOM 339 CE MET A 24 -5.411 0.708 2.516 1.00 0.00 C ATOM 0 H MET A 24 -8.073 0.642 6.511 1.00 0.00 H new ATOM 0 HA MET A 24 -8.510 -2.002 5.686 1.00 0.00 H new ATOM 0 HB2 MET A 24 -6.131 -0.132 5.353 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.307 -1.650 4.494 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.674 -0.570 3.832 1.00 0.00 H new ATOM 0 HG3 MET A 24 -7.805 0.919 4.146 1.00 0.00 H new ATOM 0 HE1 MET A 24 -5.327 1.487 1.758 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.442 1.166 3.505 1.00 0.00 H new ATOM 0 HE3 MET A 24 -4.549 0.044 2.451 1.00 0.00 H new ATOM 349 N LEU A 25 -6.515 -1.711 8.179 1.00 0.00 N ATOM 350 CA LEU A 25 -5.694 -2.434 9.145 1.00 0.00 C ATOM 351 C LEU A 25 -6.562 -3.090 10.214 1.00 0.00 C ATOM 352 O LEU A 25 -6.165 -3.190 11.375 1.00 0.00 O ATOM 353 CB LEU A 25 -4.687 -1.487 9.799 1.00 0.00 C ATOM 354 CG LEU A 25 -3.335 -1.356 9.098 1.00 0.00 C ATOM 355 CD1 LEU A 25 -2.538 -0.202 9.686 1.00 0.00 C ATOM 356 CD2 LEU A 25 -2.551 -2.656 9.204 1.00 0.00 C ATOM 0 H LEU A 25 -6.797 -0.778 8.480 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.153 -3.216 8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.138 -0.497 9.862 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.513 -1.824 10.821 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.513 -1.147 8.043 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.579 -0.124 9.174 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.094 0.727 9.558 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.369 -0.380 10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.591 -2.544 8.699 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.383 -2.895 10.254 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.116 -3.461 8.734 1.00 0.00 H new ATOM 368 N SER A 26 -7.748 -3.538 9.814 1.00 0.00 N ATOM 369 CA SER A 26 -8.673 -4.183 10.738 1.00 0.00 C ATOM 370 C SER A 26 -8.654 -5.698 10.556 1.00 0.00 C ATOM 371 O SER A 26 -8.486 -6.200 9.444 1.00 0.00 O ATOM 372 CB SER A 26 -10.091 -3.650 10.528 1.00 0.00 C ATOM 373 OG SER A 26 -11.027 -4.368 11.313 1.00 0.00 O ATOM 0 H SER A 26 -8.091 -3.466 8.856 1.00 0.00 H new ATOM 0 HA SER A 26 -8.353 -3.953 11.754 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.128 -2.592 10.789 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.360 -3.728 9.475 1.00 0.00 H new ATOM 0 HG SER A 26 -11.926 -4.007 11.162 1.00 0.00 H new ATOM 379 N LYS A 27 -8.828 -6.422 11.657 1.00 0.00 N ATOM 380 CA LYS A 27 -8.833 -7.879 11.621 1.00 0.00 C ATOM 381 C LYS A 27 -9.882 -8.396 10.642 1.00 0.00 C ATOM 382 O LYS A 27 -9.831 -9.550 10.213 1.00 0.00 O ATOM 383 CB LYS A 27 -9.103 -8.443 13.018 1.00 0.00 C ATOM 384 CG LYS A 27 -7.871 -8.486 13.906 1.00 0.00 C ATOM 385 CD LYS A 27 -7.684 -7.182 14.664 1.00 0.00 C ATOM 386 CE LYS A 27 -6.959 -7.403 15.982 1.00 0.00 C ATOM 387 NZ LYS A 27 -6.973 -6.182 16.835 1.00 0.00 N ATOM 0 H LYS A 27 -8.967 -6.023 12.585 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.851 -8.212 11.284 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.869 -7.838 13.503 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.506 -9.451 12.922 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.960 -9.310 14.614 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.989 -8.683 13.297 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.119 -6.481 14.050 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -8.656 -6.728 14.854 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.427 -8.227 16.520 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.928 -7.696 15.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.469 -6.374 17.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.504 -5.402 16.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.956 -5.917 17.045 1.00 0.00 H new ATOM 401 N LYS A 28 -10.831 -7.536 10.290 1.00 0.00 N ATOM 402 CA LYS A 28 -11.891 -7.904 9.358 1.00 0.00 C ATOM 403 C LYS A 28 -11.355 -7.996 7.933 1.00 0.00 C ATOM 404 O LYS A 28 -11.550 -9.002 7.249 1.00 0.00 O ATOM 405 CB LYS A 28 -13.030 -6.884 9.421 1.00 0.00 C ATOM 406 CG LYS A 28 -14.077 -7.075 8.337 1.00 0.00 C ATOM 407 CD LYS A 28 -14.788 -8.410 8.478 1.00 0.00 C ATOM 408 CE LYS A 28 -15.654 -8.712 7.264 1.00 0.00 C ATOM 409 NZ LYS A 28 -14.900 -9.455 6.217 1.00 0.00 N ATOM 0 H LYS A 28 -10.888 -6.578 10.636 1.00 0.00 H new ATOM 0 HA LYS A 28 -12.272 -8.883 9.648 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.512 -6.950 10.396 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -12.613 -5.880 9.339 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -14.806 -6.266 8.388 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -13.603 -7.016 7.357 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.052 -9.203 8.607 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -15.408 -8.400 9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.520 -9.297 7.572 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.032 -7.779 6.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -15.524 -9.642 5.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -14.088 -8.886 5.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.561 -10.357 6.608 1.00 0.00 H new ATOM 423 N HIS A 29 -10.677 -6.942 7.491 1.00 0.00 N ATOM 424 CA HIS A 29 -10.110 -6.905 6.148 1.00 0.00 C ATOM 425 C HIS A 29 -8.785 -7.660 6.096 1.00 0.00 C ATOM 426 O HIS A 29 -8.262 -7.941 5.018 1.00 0.00 O ATOM 427 CB HIS A 29 -9.904 -5.458 5.697 1.00 0.00 C ATOM 428 CG HIS A 29 -11.154 -4.634 5.742 1.00 0.00 C ATOM 429 ND1 HIS A 29 -12.380 -5.102 5.319 1.00 0.00 N ATOM 430 CD2 HIS A 29 -11.363 -3.365 6.164 1.00 0.00 C ATOM 431 CE1 HIS A 29 -13.289 -4.156 5.478 1.00 0.00 C ATOM 432 NE2 HIS A 29 -12.697 -3.092 5.989 1.00 0.00 N ATOM 0 H HIS A 29 -10.507 -6.102 8.044 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.812 -7.392 5.471 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -9.149 -4.993 6.330 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -9.513 -5.455 4.680 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -10.619 -2.692 6.564 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -14.337 -4.239 5.232 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -13.156 -2.210 6.217 1.00 0.00 H new ATOM 440 N ALA A 30 -8.248 -7.984 7.267 1.00 0.00 N ATOM 441 CA ALA A 30 -6.986 -8.707 7.355 1.00 0.00 C ATOM 442 C ALA A 30 -7.007 -9.957 6.481 1.00 0.00 C ATOM 443 O ALA A 30 -6.030 -10.265 5.799 1.00 0.00 O ATOM 444 CB ALA A 30 -6.689 -9.077 8.801 1.00 0.00 C ATOM 0 H ALA A 30 -8.668 -7.757 8.169 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.195 -8.053 6.989 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.743 -9.617 8.852 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -6.622 -8.170 9.402 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -7.489 -9.709 9.186 1.00 0.00 H new ATOM 450 N ALA A 31 -8.126 -10.673 6.508 1.00 0.00 N ATOM 451 CA ALA A 31 -8.274 -11.889 5.717 1.00 0.00 C ATOM 452 C ALA A 31 -7.699 -11.706 4.317 1.00 0.00 C ATOM 453 O ALA A 31 -7.026 -12.593 3.790 1.00 0.00 O ATOM 454 CB ALA A 31 -9.738 -12.293 5.640 1.00 0.00 C ATOM 0 H ALA A 31 -8.943 -10.432 7.069 1.00 0.00 H new ATOM 0 HA ALA A 31 -7.715 -12.684 6.210 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.834 -13.202 5.047 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -10.119 -12.474 6.645 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -10.312 -11.493 5.173 1.00 0.00 H new ATOM 460 N TYR A 32 -7.968 -10.551 3.718 1.00 0.00 N ATOM 461 CA TYR A 32 -7.480 -10.253 2.377 1.00 0.00 C ATOM 462 C TYR A 32 -6.597 -9.009 2.382 1.00 0.00 C ATOM 463 O TYR A 32 -6.197 -8.513 1.329 1.00 0.00 O ATOM 464 CB TYR A 32 -8.653 -10.055 1.416 1.00 0.00 C ATOM 465 CG TYR A 32 -9.842 -9.365 2.047 1.00 0.00 C ATOM 466 CD1 TYR A 32 -10.841 -10.097 2.678 1.00 0.00 C ATOM 467 CD2 TYR A 32 -9.967 -7.982 2.012 1.00 0.00 C ATOM 468 CE1 TYR A 32 -11.929 -9.472 3.255 1.00 0.00 C ATOM 469 CE2 TYR A 32 -11.051 -7.348 2.587 1.00 0.00 C ATOM 470 CZ TYR A 32 -12.029 -8.097 3.207 1.00 0.00 C ATOM 471 OH TYR A 32 -13.111 -7.469 3.781 1.00 0.00 O ATOM 0 H TYR A 32 -8.522 -9.806 4.140 1.00 0.00 H new ATOM 0 HA TYR A 32 -6.882 -11.100 2.040 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -8.316 -9.470 0.560 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -8.967 -11.026 1.034 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -10.765 -11.174 2.718 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -9.203 -7.392 1.527 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -12.697 -10.056 3.741 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -11.132 -6.272 2.551 1.00 0.00 H new ATOM 0 HH TYR A 32 -12.802 -6.704 4.310 1.00 0.00 H new ATOM 481 N ALA A 33 -6.296 -8.510 3.577 1.00 0.00 N ATOM 482 CA ALA A 33 -5.458 -7.326 3.721 1.00 0.00 C ATOM 483 C ALA A 33 -4.154 -7.660 4.438 1.00 0.00 C ATOM 484 O ALA A 33 -3.306 -6.790 4.640 1.00 0.00 O ATOM 485 CB ALA A 33 -6.211 -6.236 4.470 1.00 0.00 C ATOM 0 H ALA A 33 -6.620 -8.907 4.459 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.210 -6.962 2.724 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.574 -5.357 4.571 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.112 -5.970 3.917 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.487 -6.599 5.460 1.00 0.00 H new ATOM 491 N TRP A 34 -4.002 -8.922 4.820 1.00 0.00 N ATOM 492 CA TRP A 34 -2.800 -9.370 5.516 1.00 0.00 C ATOM 493 C TRP A 34 -1.629 -9.503 4.548 1.00 0.00 C ATOM 494 O TRP A 34 -0.467 -9.317 4.908 1.00 0.00 O ATOM 495 CB TRP A 34 -3.058 -10.707 6.212 1.00 0.00 C ATOM 496 CG TRP A 34 -3.163 -11.861 5.262 1.00 0.00 C ATOM 497 CD1 TRP A 34 -4.301 -12.522 4.897 1.00 0.00 C ATOM 498 CD2 TRP A 34 -2.088 -12.491 4.557 1.00 0.00 C ATOM 499 NE1 TRP A 34 -3.998 -13.525 4.008 1.00 0.00 N ATOM 500 CE2 TRP A 34 -2.647 -13.526 3.782 1.00 0.00 C ATOM 501 CE3 TRP A 34 -0.707 -12.280 4.502 1.00 0.00 C ATOM 502 CZ2 TRP A 34 -1.873 -14.347 2.966 1.00 0.00 C ATOM 503 CZ3 TRP A 34 0.060 -13.096 3.692 1.00 0.00 C ATOM 504 CH2 TRP A 34 -0.524 -14.118 2.933 1.00 0.00 C ATOM 0 H TRP A 34 -4.695 -9.653 4.660 1.00 0.00 H new ATOM 0 HA TRP A 34 -2.543 -8.622 6.266 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -2.253 -10.901 6.920 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -3.980 -10.636 6.789 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -5.293 -12.290 5.255 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -4.670 -14.165 3.585 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -0.248 -11.493 5.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -2.321 -15.136 2.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 1.128 -12.943 3.643 1.00 0.00 H new ATOM 0 HH2 TRP A 34 0.103 -14.738 2.309 1.00 0.00 H new ATOM 515 N PRO A 35 -1.938 -9.835 3.286 1.00 0.00 N ATOM 516 CA PRO A 35 -0.838 -9.972 2.327 1.00 0.00 C ATOM 517 C PRO A 35 0.129 -8.794 2.381 1.00 0.00 C ATOM 518 O PRO A 35 1.267 -8.891 1.920 1.00 0.00 O ATOM 519 CB PRO A 35 -1.551 -10.017 0.973 1.00 0.00 C ATOM 520 CG PRO A 35 -2.912 -10.539 1.279 1.00 0.00 C ATOM 521 CD PRO A 35 -3.250 -10.096 2.670 1.00 0.00 C ATOM 0 HA PRO A 35 -0.226 -10.851 2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -1.599 -9.028 0.518 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.027 -10.665 0.271 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -3.641 -10.156 0.565 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -2.933 -11.626 1.205 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -3.874 -9.202 2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -3.800 -10.865 3.212 1.00 0.00 H new ATOM 529 N PHE A 36 -0.331 -7.683 2.947 1.00 0.00 N ATOM 530 CA PHE A 36 0.494 -6.486 3.061 1.00 0.00 C ATOM 531 C PHE A 36 0.666 -6.081 4.522 1.00 0.00 C ATOM 532 O PHE A 36 0.675 -4.895 4.851 1.00 0.00 O ATOM 533 CB PHE A 36 -0.130 -5.334 2.270 1.00 0.00 C ATOM 534 CG PHE A 36 -0.756 -5.766 0.975 1.00 0.00 C ATOM 535 CD1 PHE A 36 -1.970 -6.433 0.966 1.00 0.00 C ATOM 536 CD2 PHE A 36 -0.131 -5.503 -0.233 1.00 0.00 C ATOM 537 CE1 PHE A 36 -2.548 -6.832 -0.225 1.00 0.00 C ATOM 538 CE2 PHE A 36 -0.704 -5.899 -1.427 1.00 0.00 C ATOM 539 CZ PHE A 36 -1.915 -6.564 -1.423 1.00 0.00 C ATOM 0 H PHE A 36 -1.270 -7.587 3.334 1.00 0.00 H new ATOM 0 HA PHE A 36 1.477 -6.711 2.647 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -0.887 -4.849 2.886 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.638 -4.589 2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.471 -6.644 1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.815 -4.982 -0.242 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.494 -7.353 -0.219 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.206 -5.689 -2.362 1.00 0.00 H new ATOM 0 HZ PHE A 36 -2.366 -6.874 -2.354 1.00 0.00 H new ATOM 549 N TYR A 37 0.802 -7.075 5.393 1.00 0.00 N ATOM 550 CA TYR A 37 0.970 -6.823 6.819 1.00 0.00 C ATOM 551 C TYR A 37 2.424 -7.017 7.238 1.00 0.00 C ATOM 552 O TYR A 37 2.910 -6.362 8.161 1.00 0.00 O ATOM 553 CB TYR A 37 0.066 -7.751 7.632 1.00 0.00 C ATOM 554 CG TYR A 37 -1.303 -7.172 7.909 1.00 0.00 C ATOM 555 CD1 TYR A 37 -1.984 -6.450 6.935 1.00 0.00 C ATOM 556 CD2 TYR A 37 -1.916 -7.346 9.143 1.00 0.00 C ATOM 557 CE1 TYR A 37 -3.234 -5.919 7.184 1.00 0.00 C ATOM 558 CE2 TYR A 37 -3.167 -6.819 9.400 1.00 0.00 C ATOM 559 CZ TYR A 37 -3.822 -6.106 8.418 1.00 0.00 C ATOM 560 OH TYR A 37 -5.068 -5.579 8.670 1.00 0.00 O ATOM 0 H TYR A 37 0.799 -8.062 5.136 1.00 0.00 H new ATOM 0 HA TYR A 37 0.688 -5.788 7.015 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -0.049 -8.693 7.097 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.553 -7.980 8.580 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -1.527 -6.302 5.967 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -1.406 -7.903 9.915 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.749 -5.360 6.417 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.630 -6.965 10.365 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.339 -5.802 9.585 1.00 0.00 H new ATOM 570 N LYS A 38 3.116 -7.920 6.552 1.00 0.00 N ATOM 571 CA LYS A 38 4.515 -8.201 6.849 1.00 0.00 C ATOM 572 C LYS A 38 5.422 -7.682 5.738 1.00 0.00 C ATOM 573 O LYS A 38 5.037 -7.613 4.570 1.00 0.00 O ATOM 574 CB LYS A 38 4.727 -9.705 7.034 1.00 0.00 C ATOM 575 CG LYS A 38 4.229 -10.230 8.369 1.00 0.00 C ATOM 576 CD LYS A 38 2.772 -10.653 8.294 1.00 0.00 C ATOM 577 CE LYS A 38 2.635 -12.109 7.875 1.00 0.00 C ATOM 578 NZ LYS A 38 2.656 -12.264 6.394 1.00 0.00 N ATOM 0 H LYS A 38 2.730 -8.471 5.785 1.00 0.00 H new ATOM 0 HA LYS A 38 4.774 -7.687 7.775 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.217 -10.237 6.231 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.790 -9.928 6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.840 -11.079 8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.346 -9.459 9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.299 -10.507 9.265 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.244 -10.018 7.583 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.446 -12.691 8.313 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.703 -12.514 8.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.143 -13.129 6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.199 -11.441 5.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.641 -12.331 6.066 1.00 0.00 H new ATOM 592 N PRO A 39 6.657 -7.308 6.106 1.00 0.00 N ATOM 593 CA PRO A 39 7.644 -6.791 5.154 1.00 0.00 C ATOM 594 C PRO A 39 8.149 -7.868 4.200 1.00 0.00 C ATOM 595 O PRO A 39 7.690 -9.009 4.237 1.00 0.00 O ATOM 596 CB PRO A 39 8.781 -6.299 6.055 1.00 0.00 C ATOM 597 CG PRO A 39 8.654 -7.108 7.300 1.00 0.00 C ATOM 598 CD PRO A 39 7.184 -7.363 7.480 1.00 0.00 C ATOM 0 HA PRO A 39 7.224 -6.017 4.512 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.752 -6.448 5.584 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.688 -5.233 6.264 1.00 0.00 H new ATOM 0 HG2 PRO A 39 9.205 -8.045 7.215 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.065 -6.573 8.156 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.998 -8.332 7.943 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.721 -6.611 8.118 1.00 0.00 H new ATOM 606 N VAL A 40 9.096 -7.497 3.345 1.00 0.00 N ATOM 607 CA VAL A 40 9.665 -8.432 2.381 1.00 0.00 C ATOM 608 C VAL A 40 11.187 -8.357 2.375 1.00 0.00 C ATOM 609 O VAL A 40 11.766 -7.293 2.156 1.00 0.00 O ATOM 610 CB VAL A 40 9.142 -8.158 0.958 1.00 0.00 C ATOM 611 CG1 VAL A 40 9.727 -9.158 -0.028 1.00 0.00 C ATOM 612 CG2 VAL A 40 7.622 -8.197 0.932 1.00 0.00 C ATOM 0 H VAL A 40 9.486 -6.555 3.300 1.00 0.00 H new ATOM 0 HA VAL A 40 9.355 -9.431 2.688 1.00 0.00 H new ATOM 0 HB VAL A 40 9.461 -7.160 0.658 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.346 -8.949 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 40 10.814 -9.075 -0.029 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.441 -10.168 0.265 1.00 0.00 H new ATOM 0 HG21 VAL A 40 7.270 -8.001 -0.081 1.00 0.00 H new ATOM 0 HG22 VAL A 40 7.278 -9.180 1.252 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.227 -7.437 1.606 1.00 0.00 H new ATOM 622 N ASP A 41 11.831 -9.494 2.615 1.00 0.00 N ATOM 623 CA ASP A 41 13.287 -9.559 2.636 1.00 0.00 C ATOM 624 C ASP A 41 13.800 -10.580 1.625 1.00 0.00 C ATOM 625 O ASP A 41 13.843 -11.778 1.905 1.00 0.00 O ATOM 626 CB ASP A 41 13.783 -9.917 4.038 1.00 0.00 C ATOM 627 CG ASP A 41 15.187 -9.410 4.303 1.00 0.00 C ATOM 628 OD1 ASP A 41 16.010 -9.426 3.363 1.00 0.00 O ATOM 629 OD2 ASP A 41 15.463 -8.999 5.449 1.00 0.00 O ATOM 0 H ASP A 41 11.367 -10.384 2.798 1.00 0.00 H new ATOM 0 HA ASP A 41 13.674 -8.577 2.362 1.00 0.00 H new ATOM 0 HB2 ASP A 41 13.103 -9.497 4.779 1.00 0.00 H new ATOM 0 HB3 ASP A 41 13.761 -11.000 4.162 1.00 0.00 H new ATOM 634 N ALA A 42 14.188 -10.097 0.449 1.00 0.00 N ATOM 635 CA ALA A 42 14.699 -10.967 -0.603 1.00 0.00 C ATOM 636 C ALA A 42 15.860 -11.817 -0.097 1.00 0.00 C ATOM 637 O ALA A 42 15.961 -13.000 -0.419 1.00 0.00 O ATOM 638 CB ALA A 42 15.131 -10.143 -1.806 1.00 0.00 C ATOM 0 H ALA A 42 14.158 -9.108 0.201 1.00 0.00 H new ATOM 0 HA ALA A 42 13.896 -11.639 -0.906 1.00 0.00 H new ATOM 0 HB1 ALA A 42 15.510 -10.806 -2.584 1.00 0.00 H new ATOM 0 HB2 ALA A 42 14.277 -9.584 -2.190 1.00 0.00 H new ATOM 0 HB3 ALA A 42 15.915 -9.447 -1.508 1.00 0.00 H new ATOM 644 N GLU A 43 16.734 -11.205 0.696 1.00 0.00 N ATOM 645 CA GLU A 43 17.889 -11.906 1.244 1.00 0.00 C ATOM 646 C GLU A 43 17.449 -13.078 2.117 1.00 0.00 C ATOM 647 O GLU A 43 17.746 -14.234 1.818 1.00 0.00 O ATOM 648 CB GLU A 43 18.757 -10.946 2.060 1.00 0.00 C ATOM 649 CG GLU A 43 19.521 -9.945 1.209 1.00 0.00 C ATOM 650 CD GLU A 43 20.815 -9.496 1.859 1.00 0.00 C ATOM 651 OE1 GLU A 43 21.666 -10.363 2.148 1.00 0.00 O ATOM 652 OE2 GLU A 43 20.978 -8.277 2.077 1.00 0.00 O ATOM 0 H GLU A 43 16.664 -10.226 0.973 1.00 0.00 H new ATOM 0 HA GLU A 43 18.475 -12.295 0.411 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.124 -10.404 2.763 1.00 0.00 H new ATOM 0 HB3 GLU A 43 19.467 -11.524 2.651 1.00 0.00 H new ATOM 0 HG2 GLU A 43 19.741 -10.391 0.239 1.00 0.00 H new ATOM 0 HG3 GLU A 43 18.891 -9.075 1.024 1.00 0.00 H new ATOM 659 N ALA A 44 16.741 -12.770 3.199 1.00 0.00 N ATOM 660 CA ALA A 44 16.259 -13.796 4.115 1.00 0.00 C ATOM 661 C ALA A 44 15.355 -14.792 3.397 1.00 0.00 C ATOM 662 O ALA A 44 15.613 -15.996 3.402 1.00 0.00 O ATOM 663 CB ALA A 44 15.522 -13.157 5.282 1.00 0.00 C ATOM 0 H ALA A 44 16.489 -11.817 3.462 1.00 0.00 H new ATOM 0 HA ALA A 44 17.122 -14.340 4.499 1.00 0.00 H new ATOM 0 HB1 ALA A 44 15.167 -13.935 5.958 1.00 0.00 H new ATOM 0 HB2 ALA A 44 16.198 -12.491 5.818 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.672 -12.587 4.907 1.00 0.00 H new ATOM 669 N LEU A 45 14.294 -14.283 2.780 1.00 0.00 N ATOM 670 CA LEU A 45 13.350 -15.129 2.058 1.00 0.00 C ATOM 671 C LEU A 45 14.000 -15.734 0.818 1.00 0.00 C ATOM 672 O LEU A 45 14.993 -15.214 0.310 1.00 0.00 O ATOM 673 CB LEU A 45 12.114 -14.321 1.657 1.00 0.00 C ATOM 674 CG LEU A 45 11.152 -13.960 2.789 1.00 0.00 C ATOM 675 CD1 LEU A 45 11.832 -13.047 3.797 1.00 0.00 C ATOM 676 CD2 LEU A 45 9.897 -13.303 2.233 1.00 0.00 C ATOM 0 H LEU A 45 14.066 -13.289 2.765 1.00 0.00 H new ATOM 0 HA LEU A 45 13.047 -15.940 2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.446 -13.398 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.563 -14.886 0.905 1.00 0.00 H new ATOM 0 HG LEU A 45 10.862 -14.878 3.300 1.00 0.00 H new ATOM 0 HD11 LEU A 45 11.132 -12.801 4.595 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.700 -13.554 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.152 -12.131 3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.224 -13.053 3.053 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.169 -12.394 1.697 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.398 -13.991 1.551 1.00 0.00 H new ATOM 688 N GLU A 46 13.431 -16.835 0.335 1.00 0.00 N ATOM 689 CA GLU A 46 13.956 -17.509 -0.846 1.00 0.00 C ATOM 690 C GLU A 46 13.206 -17.071 -2.101 1.00 0.00 C ATOM 691 O GLU A 46 12.985 -17.865 -3.016 1.00 0.00 O ATOM 692 CB GLU A 46 13.852 -19.027 -0.682 1.00 0.00 C ATOM 693 CG GLU A 46 14.895 -19.610 0.258 1.00 0.00 C ATOM 694 CD GLU A 46 14.420 -20.878 0.941 1.00 0.00 C ATOM 695 OE1 GLU A 46 14.553 -21.962 0.336 1.00 0.00 O ATOM 696 OE2 GLU A 46 13.916 -20.786 2.080 1.00 0.00 O ATOM 0 H GLU A 46 12.608 -17.278 0.743 1.00 0.00 H new ATOM 0 HA GLU A 46 15.005 -17.232 -0.954 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.859 -19.277 -0.309 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.953 -19.498 -1.660 1.00 0.00 H new ATOM 0 HG2 GLU A 46 15.805 -19.823 -0.302 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.152 -18.869 1.014 1.00 0.00 H new ATOM 703 N LEU A 47 12.817 -15.801 -2.136 1.00 0.00 N ATOM 704 CA LEU A 47 12.091 -15.255 -3.278 1.00 0.00 C ATOM 705 C LEU A 47 12.840 -15.525 -4.579 1.00 0.00 C ATOM 706 O LEU A 47 13.929 -16.099 -4.573 1.00 0.00 O ATOM 707 CB LEU A 47 11.879 -13.750 -3.100 1.00 0.00 C ATOM 708 CG LEU A 47 10.803 -13.338 -2.095 1.00 0.00 C ATOM 709 CD1 LEU A 47 10.887 -11.848 -1.804 1.00 0.00 C ATOM 710 CD2 LEU A 47 9.420 -13.705 -2.614 1.00 0.00 C ATOM 0 H LEU A 47 12.992 -15.130 -1.388 1.00 0.00 H new ATOM 0 HA LEU A 47 11.121 -15.749 -3.330 1.00 0.00 H new ATOM 0 HB2 LEU A 47 12.825 -13.304 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 47 11.625 -13.322 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 47 10.975 -13.879 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 47 10.114 -11.573 -1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.867 -11.613 -1.389 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.741 -11.288 -2.728 1.00 0.00 H new ATOM 0 HD21 LEU A 47 8.667 -13.404 -1.886 1.00 0.00 H new ATOM 0 HD22 LEU A 47 9.238 -13.191 -3.558 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.364 -14.782 -2.770 1.00 0.00 H new ATOM 722 N HIS A 48 12.251 -15.104 -5.694 1.00 0.00 N ATOM 723 CA HIS A 48 12.864 -15.297 -7.003 1.00 0.00 C ATOM 724 C HIS A 48 12.864 -13.997 -7.800 1.00 0.00 C ATOM 725 O HIS A 48 11.886 -13.670 -8.473 1.00 0.00 O ATOM 726 CB HIS A 48 12.124 -16.386 -7.780 1.00 0.00 C ATOM 727 CG HIS A 48 12.261 -17.751 -7.178 1.00 0.00 C ATOM 728 ND1 HIS A 48 13.321 -18.590 -7.450 1.00 0.00 N ATOM 729 CD2 HIS A 48 11.466 -18.420 -6.312 1.00 0.00 C ATOM 730 CE1 HIS A 48 13.171 -19.717 -6.778 1.00 0.00 C ATOM 731 NE2 HIS A 48 12.052 -19.640 -6.079 1.00 0.00 N ATOM 0 H HIS A 48 11.350 -14.627 -5.717 1.00 0.00 H new ATOM 0 HA HIS A 48 13.897 -15.608 -6.851 1.00 0.00 H new ATOM 0 HB2 HIS A 48 11.067 -16.127 -7.835 1.00 0.00 H new ATOM 0 HB3 HIS A 48 12.500 -16.410 -8.803 1.00 0.00 H new ATOM 0 HD2 HIS A 48 10.542 -18.061 -5.883 1.00 0.00 H new ATOM 0 HE1 HIS A 48 13.848 -20.558 -6.797 1.00 0.00 H new ATOM 0 HE2 HIS A 48 11.684 -20.368 -5.467 1.00 0.00 H new ATOM 739 N ASP A 49 13.965 -13.259 -7.720 1.00 0.00 N ATOM 740 CA ASP A 49 14.092 -11.994 -8.434 1.00 0.00 C ATOM 741 C ASP A 49 12.983 -11.028 -8.031 1.00 0.00 C ATOM 742 O ASP A 49 12.309 -10.450 -8.884 1.00 0.00 O ATOM 743 CB ASP A 49 14.055 -12.231 -9.945 1.00 0.00 C ATOM 744 CG ASP A 49 15.374 -12.752 -10.482 1.00 0.00 C ATOM 745 OD1 ASP A 49 15.910 -13.720 -9.903 1.00 0.00 O ATOM 746 OD2 ASP A 49 15.869 -12.192 -11.482 1.00 0.00 O ATOM 0 H ASP A 49 14.783 -13.515 -7.167 1.00 0.00 H new ATOM 0 HA ASP A 49 15.051 -11.549 -8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.264 -12.944 -10.179 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.803 -11.298 -10.450 1.00 0.00 H new ATOM 751 N TYR A 50 12.797 -10.860 -6.726 1.00 0.00 N ATOM 752 CA TYR A 50 11.767 -9.967 -6.210 1.00 0.00 C ATOM 753 C TYR A 50 12.006 -8.533 -6.673 1.00 0.00 C ATOM 754 O TYR A 50 11.244 -7.992 -7.475 1.00 0.00 O ATOM 755 CB TYR A 50 11.734 -10.022 -4.682 1.00 0.00 C ATOM 756 CG TYR A 50 10.848 -8.969 -4.056 1.00 0.00 C ATOM 757 CD1 TYR A 50 9.519 -8.834 -4.440 1.00 0.00 C ATOM 758 CD2 TYR A 50 11.339 -8.108 -3.083 1.00 0.00 C ATOM 759 CE1 TYR A 50 8.705 -7.872 -3.872 1.00 0.00 C ATOM 760 CE2 TYR A 50 10.532 -7.144 -2.509 1.00 0.00 C ATOM 761 CZ TYR A 50 9.217 -7.030 -2.907 1.00 0.00 C ATOM 762 OH TYR A 50 8.410 -6.071 -2.338 1.00 0.00 O ATOM 0 H TYR A 50 13.346 -11.331 -6.007 1.00 0.00 H new ATOM 0 HA TYR A 50 10.805 -10.300 -6.600 1.00 0.00 H new ATOM 0 HB2 TYR A 50 11.388 -11.008 -4.370 1.00 0.00 H new ATOM 0 HB3 TYR A 50 12.748 -9.904 -4.301 1.00 0.00 H new ATOM 0 HD1 TYR A 50 9.115 -9.492 -5.195 1.00 0.00 H new ATOM 0 HD2 TYR A 50 12.369 -8.193 -2.770 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.674 -7.780 -4.182 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.929 -6.483 -1.753 1.00 0.00 H new ATOM 0 HH TYR A 50 8.834 -5.727 -1.524 1.00 0.00 H new ATOM 772 N HIS A 51 13.071 -7.923 -6.162 1.00 0.00 N ATOM 773 CA HIS A 51 13.413 -6.552 -6.523 1.00 0.00 C ATOM 774 C HIS A 51 13.330 -6.351 -8.033 1.00 0.00 C ATOM 775 O HIS A 51 12.765 -5.366 -8.508 1.00 0.00 O ATOM 776 CB HIS A 51 14.818 -6.207 -6.028 1.00 0.00 C ATOM 777 CG HIS A 51 14.892 -5.977 -4.550 1.00 0.00 C ATOM 778 ND1 HIS A 51 13.935 -5.275 -3.848 1.00 0.00 N ATOM 779 CD2 HIS A 51 15.817 -6.362 -3.639 1.00 0.00 C ATOM 780 CE1 HIS A 51 14.268 -5.236 -2.571 1.00 0.00 C ATOM 781 NE2 HIS A 51 15.406 -5.889 -2.417 1.00 0.00 N ATOM 0 H HIS A 51 13.712 -8.356 -5.497 1.00 0.00 H new ATOM 0 HA HIS A 51 12.694 -5.887 -6.045 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.498 -7.016 -6.296 1.00 0.00 H new ATOM 0 HB3 HIS A 51 15.167 -5.313 -6.545 1.00 0.00 H new ATOM 0 HD2 HIS A 51 16.711 -6.934 -3.837 1.00 0.00 H new ATOM 0 HE1 HIS A 51 13.706 -4.752 -1.786 1.00 0.00 H new ATOM 0 HE2 HIS A 51 15.899 -6.021 -1.534 1.00 0.00 H new ATOM 789 N ASP A 52 13.897 -7.290 -8.782 1.00 0.00 N ATOM 790 CA ASP A 52 13.887 -7.216 -10.239 1.00 0.00 C ATOM 791 C ASP A 52 12.524 -6.759 -10.750 1.00 0.00 C ATOM 792 O ASP A 52 12.417 -5.741 -11.434 1.00 0.00 O ATOM 793 CB ASP A 52 14.242 -8.576 -10.842 1.00 0.00 C ATOM 794 CG ASP A 52 15.492 -9.174 -10.228 1.00 0.00 C ATOM 795 OD1 ASP A 52 15.549 -9.282 -8.985 1.00 0.00 O ATOM 796 OD2 ASP A 52 16.415 -9.532 -10.989 1.00 0.00 O ATOM 0 H ASP A 52 14.369 -8.112 -8.405 1.00 0.00 H new ATOM 0 HA ASP A 52 14.634 -6.485 -10.547 1.00 0.00 H new ATOM 0 HB2 ASP A 52 13.407 -9.262 -10.700 1.00 0.00 H new ATOM 0 HB3 ASP A 52 14.385 -8.467 -11.917 1.00 0.00 H new ATOM 801 N ILE A 53 11.487 -7.518 -10.414 1.00 0.00 N ATOM 802 CA ILE A 53 10.132 -7.191 -10.839 1.00 0.00 C ATOM 803 C ILE A 53 9.613 -5.952 -10.117 1.00 0.00 C ATOM 804 O ILE A 53 9.102 -5.024 -10.744 1.00 0.00 O ATOM 805 CB ILE A 53 9.164 -8.362 -10.587 1.00 0.00 C ATOM 806 CG1 ILE A 53 9.583 -9.584 -11.405 1.00 0.00 C ATOM 807 CG2 ILE A 53 7.738 -7.953 -10.927 1.00 0.00 C ATOM 808 CD1 ILE A 53 9.215 -10.901 -10.757 1.00 0.00 C ATOM 0 H ILE A 53 11.559 -8.364 -9.849 1.00 0.00 H new ATOM 0 HA ILE A 53 10.177 -6.992 -11.910 1.00 0.00 H new ATOM 0 HB ILE A 53 9.203 -8.626 -9.530 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.117 -9.530 -12.389 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.661 -9.554 -11.561 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.066 -8.791 -10.744 1.00 0.00 H new ATOM 0 HG22 ILE A 53 7.443 -7.108 -10.304 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.682 -7.666 -11.977 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.543 -11.723 -11.393 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.703 -10.977 -9.785 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.134 -10.952 -10.626 1.00 0.00 H new ATOM 820 N ILE A 54 9.750 -5.945 -8.795 1.00 0.00 N ATOM 821 CA ILE A 54 9.298 -4.819 -7.987 1.00 0.00 C ATOM 822 C ILE A 54 10.476 -3.975 -7.512 1.00 0.00 C ATOM 823 O ILE A 54 11.120 -4.295 -6.513 1.00 0.00 O ATOM 824 CB ILE A 54 8.492 -5.292 -6.763 1.00 0.00 C ATOM 825 CG1 ILE A 54 7.350 -6.211 -7.200 1.00 0.00 C ATOM 826 CG2 ILE A 54 7.953 -4.097 -5.990 1.00 0.00 C ATOM 827 CD1 ILE A 54 6.188 -5.473 -7.828 1.00 0.00 C ATOM 0 H ILE A 54 10.170 -6.706 -8.261 1.00 0.00 H new ATOM 0 HA ILE A 54 8.653 -4.213 -8.623 1.00 0.00 H new ATOM 0 HB ILE A 54 9.154 -5.856 -6.106 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.734 -6.941 -7.912 1.00 0.00 H new ATOM 0 HG13 ILE A 54 6.991 -6.768 -6.335 1.00 0.00 H new ATOM 0 HG21 ILE A 54 7.386 -4.447 -5.128 1.00 0.00 H new ATOM 0 HG22 ILE A 54 8.784 -3.478 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 54 7.303 -3.508 -6.637 1.00 0.00 H new ATOM 0 HD11 ILE A 54 5.415 -6.187 -8.114 1.00 0.00 H new ATOM 0 HD12 ILE A 54 5.778 -4.762 -7.111 1.00 0.00 H new ATOM 0 HD13 ILE A 54 6.532 -4.938 -8.713 1.00 0.00 H new ATOM 839 N LYS A 55 10.751 -2.894 -8.234 1.00 0.00 N ATOM 840 CA LYS A 55 11.850 -2.000 -7.886 1.00 0.00 C ATOM 841 C LYS A 55 11.501 -1.162 -6.660 1.00 0.00 C ATOM 842 O LYS A 55 12.290 -1.060 -5.721 1.00 0.00 O ATOM 843 CB LYS A 55 12.183 -1.085 -9.066 1.00 0.00 C ATOM 844 CG LYS A 55 12.649 -1.832 -10.303 1.00 0.00 C ATOM 845 CD LYS A 55 14.157 -2.021 -10.305 1.00 0.00 C ATOM 846 CE LYS A 55 14.880 -0.731 -10.658 1.00 0.00 C ATOM 847 NZ LYS A 55 14.741 -0.394 -12.102 1.00 0.00 N ATOM 0 H LYS A 55 10.228 -2.615 -9.064 1.00 0.00 H new ATOM 0 HA LYS A 55 12.722 -2.610 -7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.301 -0.496 -9.318 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.959 -0.383 -8.762 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.159 -2.805 -10.348 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.349 -1.283 -11.195 1.00 0.00 H new ATOM 0 HD2 LYS A 55 14.483 -2.365 -9.323 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.426 -2.798 -11.021 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.482 0.085 -10.055 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.937 -0.827 -10.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 15.417 0.356 -12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.936 -1.239 -12.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 13.773 -0.064 -12.290 1.00 0.00 H new ATOM 861 N HIS A 56 10.314 -0.564 -6.676 1.00 0.00 N ATOM 862 CA HIS A 56 9.860 0.265 -5.564 1.00 0.00 C ATOM 863 C HIS A 56 8.768 -0.444 -4.769 1.00 0.00 C ATOM 864 O HIS A 56 7.574 -0.235 -4.986 1.00 0.00 O ATOM 865 CB HIS A 56 9.343 1.608 -6.080 1.00 0.00 C ATOM 866 CG HIS A 56 8.561 1.500 -7.353 1.00 0.00 C ATOM 867 ND1 HIS A 56 7.641 0.501 -7.588 1.00 0.00 N ATOM 868 CD2 HIS A 56 8.566 2.275 -8.463 1.00 0.00 C ATOM 869 CE1 HIS A 56 7.114 0.665 -8.789 1.00 0.00 C ATOM 870 NE2 HIS A 56 7.658 1.734 -9.340 1.00 0.00 N ATOM 0 H HIS A 56 9.649 -0.638 -7.446 1.00 0.00 H new ATOM 0 HA HIS A 56 10.709 0.441 -4.903 1.00 0.00 H new ATOM 0 HB2 HIS A 56 8.715 2.064 -5.315 1.00 0.00 H new ATOM 0 HB3 HIS A 56 10.189 2.277 -6.239 1.00 0.00 H new ATOM 0 HD1 HIS A 56 7.404 -0.248 -6.937 1.00 0.00 H new ATOM 0 HD2 HIS A 56 9.171 3.154 -8.628 1.00 0.00 H new ATOM 0 HE1 HIS A 56 6.366 0.032 -9.242 1.00 0.00 H new ATOM 878 N PRO A 57 9.183 -1.303 -3.827 1.00 0.00 N ATOM 879 CA PRO A 57 8.256 -2.060 -2.981 1.00 0.00 C ATOM 880 C PRO A 57 7.522 -1.170 -1.984 1.00 0.00 C ATOM 881 O PRO A 57 7.989 -0.082 -1.649 1.00 0.00 O ATOM 882 CB PRO A 57 9.169 -3.046 -2.248 1.00 0.00 C ATOM 883 CG PRO A 57 10.505 -2.388 -2.236 1.00 0.00 C ATOM 884 CD PRO A 57 10.591 -1.602 -3.515 1.00 0.00 C ATOM 0 HA PRO A 57 7.470 -2.539 -3.565 1.00 0.00 H new ATOM 0 HB2 PRO A 57 8.813 -3.238 -1.236 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.206 -4.007 -2.760 1.00 0.00 H new ATOM 0 HG2 PRO A 57 10.611 -1.736 -1.369 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.304 -3.127 -2.178 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.177 -0.691 -3.388 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.065 -2.178 -4.310 1.00 0.00 H new ATOM 892 N MET A 58 6.372 -1.639 -1.513 1.00 0.00 N ATOM 893 CA MET A 58 5.575 -0.885 -0.552 1.00 0.00 C ATOM 894 C MET A 58 4.785 -1.824 0.354 1.00 0.00 C ATOM 895 O MET A 58 4.555 -2.984 0.013 1.00 0.00 O ATOM 896 CB MET A 58 4.620 0.062 -1.282 1.00 0.00 C ATOM 897 CG MET A 58 3.711 0.845 -0.349 1.00 0.00 C ATOM 898 SD MET A 58 4.625 1.934 0.760 1.00 0.00 S ATOM 899 CE MET A 58 4.877 3.358 -0.297 1.00 0.00 C ATOM 0 H MET A 58 5.971 -2.538 -1.781 1.00 0.00 H new ATOM 0 HA MET A 58 6.255 -0.299 0.066 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.203 0.762 -1.881 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.007 -0.515 -1.974 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.014 1.438 -0.941 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.116 0.148 0.241 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.352 4.156 0.274 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.517 3.081 -1.134 1.00 0.00 H new ATOM 0 HE3 MET A 58 3.915 3.705 -0.675 1.00 0.00 H new ATOM 909 N ASP A 59 4.374 -1.314 1.510 1.00 0.00 N ATOM 910 CA ASP A 59 3.609 -2.107 2.466 1.00 0.00 C ATOM 911 C ASP A 59 2.821 -1.206 3.412 1.00 0.00 C ATOM 912 O ASP A 59 3.202 -0.061 3.658 1.00 0.00 O ATOM 913 CB ASP A 59 4.541 -3.018 3.267 1.00 0.00 C ATOM 914 CG ASP A 59 5.646 -3.609 2.415 1.00 0.00 C ATOM 915 OD1 ASP A 59 6.644 -2.902 2.163 1.00 0.00 O ATOM 916 OD2 ASP A 59 5.513 -4.779 1.999 1.00 0.00 O ATOM 0 H ASP A 59 4.557 -0.356 1.808 1.00 0.00 H new ATOM 0 HA ASP A 59 2.904 -2.723 1.908 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.982 -2.451 4.087 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.960 -3.825 3.714 1.00 0.00 H new ATOM 921 N LEU A 60 1.720 -1.730 3.939 1.00 0.00 N ATOM 922 CA LEU A 60 0.876 -0.973 4.857 1.00 0.00 C ATOM 923 C LEU A 60 1.713 -0.323 5.954 1.00 0.00 C ATOM 924 O LEU A 60 1.667 0.892 6.146 1.00 0.00 O ATOM 925 CB LEU A 60 -0.181 -1.886 5.480 1.00 0.00 C ATOM 926 CG LEU A 60 -1.483 -2.041 4.692 1.00 0.00 C ATOM 927 CD1 LEU A 60 -2.343 -3.141 5.294 1.00 0.00 C ATOM 928 CD2 LEU A 60 -2.245 -0.724 4.657 1.00 0.00 C ATOM 0 H LEU A 60 1.391 -2.676 3.746 1.00 0.00 H new ATOM 0 HA LEU A 60 0.379 -0.186 4.290 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.257 -2.875 5.617 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.423 -1.504 6.472 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.235 -2.321 3.668 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.265 -3.237 4.721 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.798 -4.085 5.266 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.583 -2.891 6.327 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.168 -0.853 4.092 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.482 -0.414 5.675 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.631 0.039 4.179 1.00 0.00 H new ATOM 940 N SER A 61 2.479 -1.140 6.670 1.00 0.00 N ATOM 941 CA SER A 61 3.325 -0.644 7.749 1.00 0.00 C ATOM 942 C SER A 61 4.089 0.602 7.312 1.00 0.00 C ATOM 943 O SER A 61 4.282 1.533 8.095 1.00 0.00 O ATOM 944 CB SER A 61 4.308 -1.729 8.194 1.00 0.00 C ATOM 945 OG SER A 61 3.733 -2.563 9.185 1.00 0.00 O ATOM 0 H SER A 61 2.531 -2.148 6.522 1.00 0.00 H new ATOM 0 HA SER A 61 2.682 -0.379 8.589 1.00 0.00 H new ATOM 0 HB2 SER A 61 4.604 -2.331 7.335 1.00 0.00 H new ATOM 0 HB3 SER A 61 5.214 -1.265 8.585 1.00 0.00 H new ATOM 0 HG SER A 61 4.380 -3.249 9.451 1.00 0.00 H new ATOM 951 N THR A 62 4.521 0.613 6.055 1.00 0.00 N ATOM 952 CA THR A 62 5.265 1.743 5.513 1.00 0.00 C ATOM 953 C THR A 62 4.388 2.986 5.424 1.00 0.00 C ATOM 954 O THR A 62 4.684 4.012 6.037 1.00 0.00 O ATOM 955 CB THR A 62 5.829 1.425 4.115 1.00 0.00 C ATOM 956 OG1 THR A 62 6.527 0.175 4.141 1.00 0.00 O ATOM 957 CG2 THR A 62 6.768 2.526 3.647 1.00 0.00 C ATOM 0 H THR A 62 4.368 -0.148 5.393 1.00 0.00 H new ATOM 0 HA THR A 62 6.093 1.934 6.196 1.00 0.00 H new ATOM 0 HB THR A 62 4.994 1.360 3.417 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.881 -0.021 3.248 1.00 0.00 H new ATOM 0 HG21 THR A 62 7.154 2.279 2.658 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.226 3.471 3.600 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.598 2.618 4.347 1.00 0.00 H new ATOM 965 N VAL A 63 3.307 2.889 4.657 1.00 0.00 N ATOM 966 CA VAL A 63 2.385 4.006 4.489 1.00 0.00 C ATOM 967 C VAL A 63 2.037 4.638 5.832 1.00 0.00 C ATOM 968 O VAL A 63 2.061 5.860 5.981 1.00 0.00 O ATOM 969 CB VAL A 63 1.086 3.562 3.791 1.00 0.00 C ATOM 970 CG1 VAL A 63 0.079 4.702 3.761 1.00 0.00 C ATOM 971 CG2 VAL A 63 1.381 3.063 2.385 1.00 0.00 C ATOM 0 H VAL A 63 3.048 2.048 4.142 1.00 0.00 H new ATOM 0 HA VAL A 63 2.891 4.742 3.864 1.00 0.00 H new ATOM 0 HB VAL A 63 0.651 2.740 4.360 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.832 4.369 3.264 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.155 5.008 4.781 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.502 5.547 3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.452 2.753 1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.840 3.863 1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.063 2.214 2.436 1.00 0.00 H new ATOM 981 N LYS A 64 1.715 3.797 6.809 1.00 0.00 N ATOM 982 CA LYS A 64 1.363 4.272 8.143 1.00 0.00 C ATOM 983 C LYS A 64 2.423 5.231 8.676 1.00 0.00 C ATOM 984 O LYS A 64 2.162 6.420 8.856 1.00 0.00 O ATOM 985 CB LYS A 64 1.202 3.090 9.101 1.00 0.00 C ATOM 986 CG LYS A 64 0.507 3.452 10.402 1.00 0.00 C ATOM 987 CD LYS A 64 -0.226 2.259 10.993 1.00 0.00 C ATOM 988 CE LYS A 64 -1.113 2.672 12.159 1.00 0.00 C ATOM 989 NZ LYS A 64 -0.319 2.954 13.387 1.00 0.00 N ATOM 0 H LYS A 64 1.690 2.783 6.703 1.00 0.00 H new ATOM 0 HA LYS A 64 0.416 4.807 8.073 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.635 2.304 8.603 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.186 2.679 9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 64 1.242 3.820 11.118 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.199 4.263 10.225 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.834 1.785 10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.497 1.516 11.330 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.684 3.559 11.884 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.833 1.880 12.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.959 3.232 14.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.207 2.101 13.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.351 3.727 13.198 1.00 0.00 H new ATOM 1003 N ARG A 65 3.618 4.706 8.924 1.00 0.00 N ATOM 1004 CA ARG A 65 4.717 5.516 9.436 1.00 0.00 C ATOM 1005 C ARG A 65 4.752 6.880 8.752 1.00 0.00 C ATOM 1006 O ARG A 65 4.872 7.914 9.409 1.00 0.00 O ATOM 1007 CB ARG A 65 6.050 4.795 9.229 1.00 0.00 C ATOM 1008 CG ARG A 65 6.284 3.655 10.206 1.00 0.00 C ATOM 1009 CD ARG A 65 6.518 4.170 11.618 1.00 0.00 C ATOM 1010 NE ARG A 65 6.868 3.095 12.542 1.00 0.00 N ATOM 1011 CZ ARG A 65 8.039 2.467 12.528 1.00 0.00 C ATOM 1012 NH1 ARG A 65 8.967 2.806 11.644 1.00 0.00 N ATOM 1013 NH2 ARG A 65 8.284 1.498 13.402 1.00 0.00 N ATOM 0 H ARG A 65 3.850 3.723 8.779 1.00 0.00 H new ATOM 0 HA ARG A 65 4.556 5.668 10.503 1.00 0.00 H new ATOM 0 HB2 ARG A 65 6.088 4.404 8.212 1.00 0.00 H new ATOM 0 HB3 ARG A 65 6.862 5.516 9.324 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.423 2.986 10.199 1.00 0.00 H new ATOM 0 HG3 ARG A 65 7.145 3.069 9.884 1.00 0.00 H new ATOM 0 HD2 ARG A 65 7.317 4.912 11.606 1.00 0.00 H new ATOM 0 HD3 ARG A 65 5.620 4.675 11.973 1.00 0.00 H new ATOM 0 HE ARG A 65 6.176 2.811 13.236 1.00 0.00 H new ATOM 0 HH11 ARG A 65 8.783 3.551 10.972 1.00 0.00 H new ATOM 0 HH12 ARG A 65 9.865 2.322 11.636 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.573 1.235 14.085 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.183 1.016 13.391 1.00 0.00 H new ATOM 1027 N LYS A 66 4.646 6.874 7.427 1.00 0.00 N ATOM 1028 CA LYS A 66 4.665 8.109 6.652 1.00 0.00 C ATOM 1029 C LYS A 66 3.520 9.028 7.066 1.00 0.00 C ATOM 1030 O LYS A 66 3.717 10.225 7.274 1.00 0.00 O ATOM 1031 CB LYS A 66 4.569 7.798 5.157 1.00 0.00 C ATOM 1032 CG LYS A 66 5.901 7.432 4.525 1.00 0.00 C ATOM 1033 CD LYS A 66 5.744 7.093 3.052 1.00 0.00 C ATOM 1034 CE LYS A 66 5.820 8.339 2.183 1.00 0.00 C ATOM 1035 NZ LYS A 66 6.338 8.034 0.820 1.00 0.00 N ATOM 0 H LYS A 66 4.546 6.027 6.868 1.00 0.00 H new ATOM 0 HA LYS A 66 5.607 8.620 6.851 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.868 6.976 5.010 1.00 0.00 H new ATOM 0 HB3 LYS A 66 4.157 8.665 4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.598 8.263 4.636 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.333 6.581 5.051 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.523 6.392 2.754 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.788 6.594 2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.830 8.787 2.103 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.466 9.076 2.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.343 8.903 0.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.306 7.661 0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.727 7.325 0.367 1.00 0.00 H new ATOM 1049 N MET A 67 2.324 8.460 7.184 1.00 0.00 N ATOM 1050 CA MET A 67 1.149 9.229 7.576 1.00 0.00 C ATOM 1051 C MET A 67 1.273 9.715 9.017 1.00 0.00 C ATOM 1052 O MET A 67 0.767 10.781 9.367 1.00 0.00 O ATOM 1053 CB MET A 67 -0.116 8.383 7.418 1.00 0.00 C ATOM 1054 CG MET A 67 -1.388 9.109 7.827 1.00 0.00 C ATOM 1055 SD MET A 67 -1.572 10.703 7.004 1.00 0.00 S ATOM 1056 CE MET A 67 -2.800 10.303 5.763 1.00 0.00 C ATOM 0 H MET A 67 2.143 7.471 7.014 1.00 0.00 H new ATOM 0 HA MET A 67 1.080 10.099 6.923 1.00 0.00 H new ATOM 0 HB2 MET A 67 -0.205 8.068 6.378 1.00 0.00 H new ATOM 0 HB3 MET A 67 -0.015 7.478 8.017 1.00 0.00 H new ATOM 0 HG2 MET A 67 -2.250 8.483 7.595 1.00 0.00 H new ATOM 0 HG3 MET A 67 -1.385 9.260 8.907 1.00 0.00 H new ATOM 0 HE1 MET A 67 -2.407 10.537 4.774 1.00 0.00 H new ATOM 0 HE2 MET A 67 -3.039 9.241 5.817 1.00 0.00 H new ATOM 0 HE3 MET A 67 -3.702 10.888 5.942 1.00 0.00 H new ATOM 1066 N ASP A 68 1.948 8.928 9.846 1.00 0.00 N ATOM 1067 CA ASP A 68 2.139 9.279 11.249 1.00 0.00 C ATOM 1068 C ASP A 68 3.038 10.503 11.385 1.00 0.00 C ATOM 1069 O ASP A 68 2.805 11.366 12.230 1.00 0.00 O ATOM 1070 CB ASP A 68 2.742 8.100 12.014 1.00 0.00 C ATOM 1071 CG ASP A 68 1.759 6.959 12.188 1.00 0.00 C ATOM 1072 OD1 ASP A 68 0.781 6.894 11.414 1.00 0.00 O ATOM 1073 OD2 ASP A 68 1.968 6.130 13.099 1.00 0.00 O ATOM 0 H ASP A 68 2.373 8.042 9.571 1.00 0.00 H new ATOM 0 HA ASP A 68 1.164 9.518 11.675 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.623 7.739 11.483 1.00 0.00 H new ATOM 0 HB3 ASP A 68 3.077 8.440 12.994 1.00 0.00 H new ATOM 1078 N GLY A 69 4.068 10.571 10.547 1.00 0.00 N ATOM 1079 CA GLY A 69 4.988 11.693 10.591 1.00 0.00 C ATOM 1080 C GLY A 69 4.564 12.826 9.678 1.00 0.00 C ATOM 1081 O GLY A 69 5.381 13.664 9.296 1.00 0.00 O ATOM 0 H GLY A 69 4.282 9.869 9.838 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.058 12.062 11.614 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.984 11.354 10.306 1.00 0.00 H new ATOM 1085 N ARG A 70 3.283 12.853 9.325 1.00 0.00 N ATOM 1086 CA ARG A 70 2.752 13.890 8.449 1.00 0.00 C ATOM 1087 C ARG A 70 3.667 14.105 7.246 1.00 0.00 C ATOM 1088 O ARG A 70 3.782 15.218 6.734 1.00 0.00 O ATOM 1089 CB ARG A 70 2.586 15.202 9.218 1.00 0.00 C ATOM 1090 CG ARG A 70 1.868 15.041 10.548 1.00 0.00 C ATOM 1091 CD ARG A 70 0.402 14.690 10.350 1.00 0.00 C ATOM 1092 NE ARG A 70 -0.370 14.848 11.579 1.00 0.00 N ATOM 1093 CZ ARG A 70 -0.258 14.039 12.627 1.00 0.00 C ATOM 1094 NH1 ARG A 70 0.590 13.021 12.594 1.00 0.00 N ATOM 1095 NH2 ARG A 70 -0.995 14.249 13.710 1.00 0.00 N ATOM 0 H ARG A 70 2.593 12.168 9.633 1.00 0.00 H new ATOM 0 HA ARG A 70 1.777 13.563 8.089 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.570 15.636 9.396 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.033 15.909 8.599 1.00 0.00 H new ATOM 0 HG2 ARG A 70 2.354 14.261 11.133 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.948 15.965 11.120 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -0.021 15.326 9.572 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.320 13.661 10.000 1.00 0.00 H new ATOM 0 HE ARG A 70 -1.032 15.622 11.636 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.158 12.857 11.763 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.674 12.401 13.400 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.648 15.032 13.738 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.908 13.627 14.514 1.00 0.00 H new ATOM 1109 N GLU A 71 4.315 13.033 6.802 1.00 0.00 N ATOM 1110 CA GLU A 71 5.219 13.106 5.661 1.00 0.00 C ATOM 1111 C GLU A 71 4.467 13.503 4.394 1.00 0.00 C ATOM 1112 O GLU A 71 5.002 14.204 3.535 1.00 0.00 O ATOM 1113 CB GLU A 71 5.921 11.762 5.451 1.00 0.00 C ATOM 1114 CG GLU A 71 7.126 11.557 6.353 1.00 0.00 C ATOM 1115 CD GLU A 71 8.419 12.024 5.713 1.00 0.00 C ATOM 1116 OE1 GLU A 71 8.645 13.250 5.656 1.00 0.00 O ATOM 1117 OE2 GLU A 71 9.206 11.161 5.269 1.00 0.00 O ATOM 0 H GLU A 71 4.231 12.104 7.215 1.00 0.00 H new ATOM 0 HA GLU A 71 5.967 13.870 5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.207 10.957 5.625 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.239 11.686 4.411 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.972 12.097 7.287 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.211 10.500 6.605 1.00 0.00 H new ATOM 1124 N TYR A 72 3.223 13.049 4.286 1.00 0.00 N ATOM 1125 CA TYR A 72 2.397 13.353 3.123 1.00 0.00 C ATOM 1126 C TYR A 72 1.944 14.810 3.143 1.00 0.00 C ATOM 1127 O TYR A 72 1.348 15.288 4.108 1.00 0.00 O ATOM 1128 CB TYR A 72 1.179 12.429 3.081 1.00 0.00 C ATOM 1129 CG TYR A 72 1.535 10.961 3.013 1.00 0.00 C ATOM 1130 CD1 TYR A 72 2.177 10.432 1.900 1.00 0.00 C ATOM 1131 CD2 TYR A 72 1.228 10.102 4.062 1.00 0.00 C ATOM 1132 CE1 TYR A 72 2.504 9.092 1.834 1.00 0.00 C ATOM 1133 CE2 TYR A 72 1.552 8.761 4.004 1.00 0.00 C ATOM 1134 CZ TYR A 72 2.189 8.260 2.888 1.00 0.00 C ATOM 1135 OH TYR A 72 2.512 6.924 2.827 1.00 0.00 O ATOM 0 H TYR A 72 2.765 12.470 4.989 1.00 0.00 H new ATOM 0 HA TYR A 72 2.999 13.191 2.229 1.00 0.00 H new ATOM 0 HB2 TYR A 72 0.569 12.606 3.967 1.00 0.00 H new ATOM 0 HB3 TYR A 72 0.568 12.687 2.216 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.425 11.080 1.072 1.00 0.00 H new ATOM 0 HD2 TYR A 72 0.728 10.490 4.937 1.00 0.00 H new ATOM 0 HE1 TYR A 72 3.004 8.698 0.962 1.00 0.00 H new ATOM 0 HE2 TYR A 72 1.308 8.108 4.829 1.00 0.00 H new ATOM 0 HH TYR A 72 2.063 6.514 2.059 1.00 0.00 H new ATOM 1145 N PRO A 73 2.233 15.533 2.051 1.00 0.00 N ATOM 1146 CA PRO A 73 1.863 16.945 1.917 1.00 0.00 C ATOM 1147 C PRO A 73 0.358 17.139 1.768 1.00 0.00 C ATOM 1148 O PRO A 73 -0.181 18.185 2.130 1.00 0.00 O ATOM 1149 CB PRO A 73 2.588 17.381 0.641 1.00 0.00 C ATOM 1150 CG PRO A 73 2.758 16.127 -0.146 1.00 0.00 C ATOM 1151 CD PRO A 73 2.941 15.028 0.863 1.00 0.00 C ATOM 0 HA PRO A 73 2.137 17.524 2.799 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.007 18.119 0.088 1.00 0.00 H new ATOM 0 HB3 PRO A 73 3.551 17.839 0.869 1.00 0.00 H new ATOM 0 HG2 PRO A 73 1.887 15.939 -0.774 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.620 16.196 -0.809 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.517 14.087 0.513 1.00 0.00 H new ATOM 0 HD3 PRO A 73 3.995 14.845 1.071 1.00 0.00 H new ATOM 1159 N ASP A 74 -0.314 16.126 1.233 1.00 0.00 N ATOM 1160 CA ASP A 74 -1.758 16.185 1.038 1.00 0.00 C ATOM 1161 C ASP A 74 -2.343 14.784 0.884 1.00 0.00 C ATOM 1162 O ASP A 74 -1.618 13.791 0.921 1.00 0.00 O ATOM 1163 CB ASP A 74 -2.094 17.029 -0.193 1.00 0.00 C ATOM 1164 CG ASP A 74 -1.022 16.945 -1.262 1.00 0.00 C ATOM 1165 OD1 ASP A 74 -0.011 17.668 -1.146 1.00 0.00 O ATOM 1166 OD2 ASP A 74 -1.196 16.157 -2.216 1.00 0.00 O ATOM 0 H ASP A 74 0.118 15.254 0.927 1.00 0.00 H new ATOM 0 HA ASP A 74 -2.200 16.650 1.919 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -3.045 16.697 -0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.223 18.069 0.107 1.00 0.00 H new ATOM 1171 N ALA A 75 -3.659 14.714 0.713 1.00 0.00 N ATOM 1172 CA ALA A 75 -4.341 13.436 0.553 1.00 0.00 C ATOM 1173 C ALA A 75 -3.813 12.680 -0.662 1.00 0.00 C ATOM 1174 O ALA A 75 -3.679 11.457 -0.632 1.00 0.00 O ATOM 1175 CB ALA A 75 -5.843 13.651 0.431 1.00 0.00 C ATOM 0 H ALA A 75 -4.274 15.527 0.682 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.142 12.833 1.439 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.340 12.688 0.312 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.214 14.142 1.330 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.052 14.277 -0.437 1.00 0.00 H new ATOM 1181 N GLN A 76 -3.516 13.416 -1.728 1.00 0.00 N ATOM 1182 CA GLN A 76 -3.004 12.813 -2.953 1.00 0.00 C ATOM 1183 C GLN A 76 -1.758 11.979 -2.670 1.00 0.00 C ATOM 1184 O GLN A 76 -1.680 10.813 -3.053 1.00 0.00 O ATOM 1185 CB GLN A 76 -2.683 13.896 -3.984 1.00 0.00 C ATOM 1186 CG GLN A 76 -3.888 14.732 -4.383 1.00 0.00 C ATOM 1187 CD GLN A 76 -4.911 13.941 -5.174 1.00 0.00 C ATOM 1188 OE1 GLN A 76 -4.601 13.381 -6.226 1.00 0.00 O ATOM 1189 NE2 GLN A 76 -6.138 13.890 -4.670 1.00 0.00 N ATOM 0 H GLN A 76 -3.621 14.430 -1.768 1.00 0.00 H new ATOM 0 HA GLN A 76 -3.776 12.156 -3.354 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.913 14.553 -3.580 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -2.266 13.426 -4.875 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -4.360 15.134 -3.486 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -3.554 15.583 -4.977 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.350 14.369 -3.795 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -6.869 13.372 -5.158 1.00 0.00 H new ATOM 1198 N GLY A 77 -0.786 12.586 -1.996 1.00 0.00 N ATOM 1199 CA GLY A 77 0.443 11.884 -1.673 1.00 0.00 C ATOM 1200 C GLY A 77 0.195 10.613 -0.887 1.00 0.00 C ATOM 1201 O GLY A 77 0.782 9.570 -1.177 1.00 0.00 O ATOM 0 H GLY A 77 -0.827 13.551 -1.668 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.971 11.640 -2.595 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.093 12.543 -1.097 1.00 0.00 H new ATOM 1205 N PHE A 78 -0.676 10.698 0.114 1.00 0.00 N ATOM 1206 CA PHE A 78 -0.998 9.545 0.947 1.00 0.00 C ATOM 1207 C PHE A 78 -1.619 8.428 0.113 1.00 0.00 C ATOM 1208 O PHE A 78 -1.123 7.302 0.097 1.00 0.00 O ATOM 1209 CB PHE A 78 -1.955 9.952 2.069 1.00 0.00 C ATOM 1210 CG PHE A 78 -2.825 8.827 2.552 1.00 0.00 C ATOM 1211 CD1 PHE A 78 -2.348 7.912 3.476 1.00 0.00 C ATOM 1212 CD2 PHE A 78 -4.121 8.684 2.082 1.00 0.00 C ATOM 1213 CE1 PHE A 78 -3.146 6.875 3.922 1.00 0.00 C ATOM 1214 CE2 PHE A 78 -4.924 7.650 2.524 1.00 0.00 C ATOM 1215 CZ PHE A 78 -4.436 6.745 3.446 1.00 0.00 C ATOM 0 H PHE A 78 -1.171 11.553 0.368 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.072 9.174 1.386 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.376 10.338 2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.589 10.766 1.718 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.341 8.010 3.853 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.508 9.389 1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.761 6.168 4.642 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.932 7.550 2.149 1.00 0.00 H new ATOM 0 HZ PHE A 78 -5.062 5.937 3.794 1.00 0.00 H new ATOM 1225 N ALA A 79 -2.709 8.749 -0.577 1.00 0.00 N ATOM 1226 CA ALA A 79 -3.398 7.774 -1.414 1.00 0.00 C ATOM 1227 C ALA A 79 -2.453 7.175 -2.450 1.00 0.00 C ATOM 1228 O ALA A 79 -2.444 5.964 -2.670 1.00 0.00 O ATOM 1229 CB ALA A 79 -4.595 8.417 -2.097 1.00 0.00 C ATOM 0 H ALA A 79 -3.134 9.676 -0.573 1.00 0.00 H new ATOM 0 HA ALA A 79 -3.751 6.966 -0.773 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.100 7.677 -2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.287 8.790 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.257 9.245 -2.720 1.00 0.00 H new ATOM 1235 N ALA A 80 -1.659 8.032 -3.085 1.00 0.00 N ATOM 1236 CA ALA A 80 -0.710 7.587 -4.098 1.00 0.00 C ATOM 1237 C ALA A 80 0.032 6.335 -3.642 1.00 0.00 C ATOM 1238 O ALA A 80 -0.043 5.288 -4.285 1.00 0.00 O ATOM 1239 CB ALA A 80 0.276 8.699 -4.421 1.00 0.00 C ATOM 0 H ALA A 80 -1.655 9.038 -2.916 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.269 7.338 -5.000 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.979 8.353 -5.179 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.265 9.567 -4.797 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.822 8.975 -3.519 1.00 0.00 H new ATOM 1245 N ASP A 81 0.750 6.450 -2.530 1.00 0.00 N ATOM 1246 CA ASP A 81 1.506 5.327 -1.987 1.00 0.00 C ATOM 1247 C ASP A 81 0.647 4.067 -1.938 1.00 0.00 C ATOM 1248 O ASP A 81 1.040 3.015 -2.443 1.00 0.00 O ATOM 1249 CB ASP A 81 2.023 5.662 -0.588 1.00 0.00 C ATOM 1250 CG ASP A 81 3.293 6.489 -0.622 1.00 0.00 C ATOM 1251 OD1 ASP A 81 3.268 7.590 -1.212 1.00 0.00 O ATOM 1252 OD2 ASP A 81 4.312 6.036 -0.060 1.00 0.00 O ATOM 0 H ASP A 81 0.824 7.310 -1.987 1.00 0.00 H new ATOM 0 HA ASP A 81 2.355 5.140 -2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 81 1.253 6.206 -0.040 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.210 4.737 -0.042 1.00 0.00 H new ATOM 1257 N VAL A 82 -0.527 4.181 -1.326 1.00 0.00 N ATOM 1258 CA VAL A 82 -1.442 3.051 -1.210 1.00 0.00 C ATOM 1259 C VAL A 82 -1.676 2.393 -2.566 1.00 0.00 C ATOM 1260 O VAL A 82 -1.636 1.169 -2.688 1.00 0.00 O ATOM 1261 CB VAL A 82 -2.797 3.484 -0.621 1.00 0.00 C ATOM 1262 CG1 VAL A 82 -3.786 2.329 -0.652 1.00 0.00 C ATOM 1263 CG2 VAL A 82 -2.619 4.006 0.797 1.00 0.00 C ATOM 0 H VAL A 82 -0.867 5.044 -0.903 1.00 0.00 H new ATOM 0 HA VAL A 82 -0.975 2.333 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 82 -3.198 4.291 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.738 2.654 -0.232 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.936 2.006 -1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.394 1.499 -0.064 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.587 4.308 1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.196 3.221 1.423 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.947 4.864 0.787 1.00 0.00 H new ATOM 1273 N ARG A 83 -1.920 3.214 -3.581 1.00 0.00 N ATOM 1274 CA ARG A 83 -2.162 2.713 -4.929 1.00 0.00 C ATOM 1275 C ARG A 83 -1.022 1.807 -5.384 1.00 0.00 C ATOM 1276 O ARG A 83 -1.252 0.731 -5.938 1.00 0.00 O ATOM 1277 CB ARG A 83 -2.325 3.876 -5.908 1.00 0.00 C ATOM 1278 CG ARG A 83 -3.381 4.884 -5.485 1.00 0.00 C ATOM 1279 CD ARG A 83 -4.751 4.522 -6.038 1.00 0.00 C ATOM 1280 NE ARG A 83 -4.800 4.633 -7.494 1.00 0.00 N ATOM 1281 CZ ARG A 83 -5.930 4.653 -8.191 1.00 0.00 C ATOM 1282 NH1 ARG A 83 -7.098 4.571 -7.569 1.00 0.00 N ATOM 1283 NH2 ARG A 83 -5.893 4.756 -9.513 1.00 0.00 N ATOM 0 H ARG A 83 -1.956 4.230 -3.496 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.083 2.130 -4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.368 4.387 -6.014 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.585 3.480 -6.890 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.427 4.929 -4.397 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.098 5.877 -5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -5.003 3.503 -5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.504 5.177 -5.599 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.918 4.699 -8.003 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.130 4.492 -6.553 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -7.964 4.587 -8.107 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.996 4.820 -9.995 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -6.761 4.771 -10.048 1.00 0.00 H new ATOM 1297 N LEU A 84 0.209 2.249 -5.148 1.00 0.00 N ATOM 1298 CA LEU A 84 1.386 1.479 -5.534 1.00 0.00 C ATOM 1299 C LEU A 84 1.382 0.107 -4.867 1.00 0.00 C ATOM 1300 O LEU A 84 1.535 -0.917 -5.532 1.00 0.00 O ATOM 1301 CB LEU A 84 2.661 2.237 -5.160 1.00 0.00 C ATOM 1302 CG LEU A 84 3.958 1.428 -5.197 1.00 0.00 C ATOM 1303 CD1 LEU A 84 4.406 1.202 -6.632 1.00 0.00 C ATOM 1304 CD2 LEU A 84 5.048 2.131 -4.400 1.00 0.00 C ATOM 0 H LEU A 84 0.417 3.137 -4.691 1.00 0.00 H new ATOM 0 HA LEU A 84 1.359 1.337 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU A 84 2.766 3.086 -5.835 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.538 2.642 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 84 3.771 0.456 -4.740 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.330 0.625 -6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.633 0.655 -7.173 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.576 2.164 -7.116 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.964 1.541 -4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 84 5.233 3.116 -4.828 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.728 2.240 -3.364 1.00 0.00 H new ATOM 1316 N MET A 85 1.205 0.096 -3.550 1.00 0.00 N ATOM 1317 CA MET A 85 1.177 -1.151 -2.794 1.00 0.00 C ATOM 1318 C MET A 85 0.434 -2.238 -3.564 1.00 0.00 C ATOM 1319 O MET A 85 0.875 -3.386 -3.619 1.00 0.00 O ATOM 1320 CB MET A 85 0.516 -0.932 -1.432 1.00 0.00 C ATOM 1321 CG MET A 85 0.230 -2.222 -0.680 1.00 0.00 C ATOM 1322 SD MET A 85 -1.383 -2.918 -1.084 1.00 0.00 S ATOM 1323 CE MET A 85 -2.453 -1.909 -0.063 1.00 0.00 C ATOM 0 H MET A 85 1.079 0.935 -2.985 1.00 0.00 H new ATOM 0 HA MET A 85 2.206 -1.477 -2.642 1.00 0.00 H new ATOM 0 HB2 MET A 85 1.162 -0.301 -0.821 1.00 0.00 H new ATOM 0 HB3 MET A 85 -0.418 -0.389 -1.574 1.00 0.00 H new ATOM 0 HG2 MET A 85 1.005 -2.953 -0.912 1.00 0.00 H new ATOM 0 HG3 MET A 85 0.281 -2.032 0.392 1.00 0.00 H new ATOM 0 HE1 MET A 85 -3.370 -2.456 0.155 1.00 0.00 H new ATOM 0 HE2 MET A 85 -1.944 -1.668 0.870 1.00 0.00 H new ATOM 0 HE3 MET A 85 -2.697 -0.987 -0.592 1.00 0.00 H new ATOM 1333 N PHE A 86 -0.696 -1.868 -4.158 1.00 0.00 N ATOM 1334 CA PHE A 86 -1.502 -2.812 -4.924 1.00 0.00 C ATOM 1335 C PHE A 86 -0.814 -3.173 -6.237 1.00 0.00 C ATOM 1336 O PHE A 86 -0.430 -4.322 -6.454 1.00 0.00 O ATOM 1337 CB PHE A 86 -2.886 -2.224 -5.204 1.00 0.00 C ATOM 1338 CG PHE A 86 -3.769 -2.164 -3.991 1.00 0.00 C ATOM 1339 CD1 PHE A 86 -4.225 -3.327 -3.391 1.00 0.00 C ATOM 1340 CD2 PHE A 86 -4.144 -0.944 -3.450 1.00 0.00 C ATOM 1341 CE1 PHE A 86 -5.037 -3.275 -2.273 1.00 0.00 C ATOM 1342 CE2 PHE A 86 -4.955 -0.886 -2.333 1.00 0.00 C ATOM 1343 CZ PHE A 86 -5.403 -2.053 -1.745 1.00 0.00 C ATOM 0 H PHE A 86 -1.074 -0.921 -4.124 1.00 0.00 H new ATOM 0 HA PHE A 86 -1.615 -3.720 -4.332 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.770 -1.219 -5.609 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -3.377 -2.822 -5.972 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.943 -4.285 -3.801 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.798 -0.028 -3.907 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -5.384 -4.189 -1.814 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.238 0.071 -1.920 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.039 -2.009 -0.873 1.00 0.00 H new ATOM 1353 N SER A 87 -0.663 -2.183 -7.111 1.00 0.00 N ATOM 1354 CA SER A 87 -0.027 -2.395 -8.405 1.00 0.00 C ATOM 1355 C SER A 87 1.111 -3.406 -8.292 1.00 0.00 C ATOM 1356 O SER A 87 1.339 -4.204 -9.200 1.00 0.00 O ATOM 1357 CB SER A 87 0.506 -1.072 -8.959 1.00 0.00 C ATOM 1358 OG SER A 87 -0.551 -0.259 -9.440 1.00 0.00 O ATOM 0 H SER A 87 -0.973 -1.225 -6.946 1.00 0.00 H new ATOM 0 HA SER A 87 -0.777 -2.792 -9.089 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.052 -0.541 -8.179 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.213 -1.270 -9.765 1.00 0.00 H new ATOM 0 HG SER A 87 -0.185 0.581 -9.787 1.00 0.00 H new ATOM 1364 N ASN A 88 1.820 -3.365 -7.169 1.00 0.00 N ATOM 1365 CA ASN A 88 2.935 -4.277 -6.935 1.00 0.00 C ATOM 1366 C ASN A 88 2.455 -5.725 -6.902 1.00 0.00 C ATOM 1367 O ASN A 88 2.908 -6.557 -7.688 1.00 0.00 O ATOM 1368 CB ASN A 88 3.637 -3.930 -5.621 1.00 0.00 C ATOM 1369 CG ASN A 88 4.476 -2.671 -5.728 1.00 0.00 C ATOM 1370 OD1 ASN A 88 4.511 -2.022 -6.774 1.00 0.00 O ATOM 1371 ND2 ASN A 88 5.156 -2.319 -4.643 1.00 0.00 N ATOM 0 H ASN A 88 1.643 -2.711 -6.407 1.00 0.00 H new ATOM 0 HA ASN A 88 3.642 -4.166 -7.757 1.00 0.00 H new ATOM 0 HB2 ASN A 88 2.891 -3.800 -4.837 1.00 0.00 H new ATOM 0 HB3 ASN A 88 4.273 -4.763 -5.321 1.00 0.00 H new ATOM 0 HD21 ASN A 88 5.737 -1.481 -4.655 1.00 0.00 H new ATOM 0 HD22 ASN A 88 5.097 -2.887 -3.798 1.00 0.00 H new ATOM 1378 N CYS A 89 1.537 -6.017 -5.987 1.00 0.00 N ATOM 1379 CA CYS A 89 0.996 -7.365 -5.851 1.00 0.00 C ATOM 1380 C CYS A 89 0.442 -7.865 -7.181 1.00 0.00 C ATOM 1381 O CYS A 89 0.617 -9.030 -7.539 1.00 0.00 O ATOM 1382 CB CYS A 89 -0.101 -7.391 -4.785 1.00 0.00 C ATOM 1383 SG CYS A 89 -1.646 -6.604 -5.297 1.00 0.00 S ATOM 0 H CYS A 89 1.152 -5.339 -5.329 1.00 0.00 H new ATOM 0 HA CYS A 89 1.806 -8.026 -5.544 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -0.306 -8.427 -4.515 1.00 0.00 H new ATOM 0 HB3 CYS A 89 0.267 -6.894 -3.888 1.00 0.00 H new ATOM 0 HG CYS A 89 -1.382 -5.496 -5.924 1.00 0.00 H new ATOM 1389 N TYR A 90 -0.229 -6.978 -7.907 1.00 0.00 N ATOM 1390 CA TYR A 90 -0.813 -7.331 -9.196 1.00 0.00 C ATOM 1391 C TYR A 90 0.274 -7.579 -10.237 1.00 0.00 C ATOM 1392 O TYR A 90 0.032 -8.205 -11.269 1.00 0.00 O ATOM 1393 CB TYR A 90 -1.750 -6.222 -9.675 1.00 0.00 C ATOM 1394 CG TYR A 90 -3.034 -6.129 -8.882 1.00 0.00 C ATOM 1395 CD1 TYR A 90 -3.803 -7.258 -8.631 1.00 0.00 C ATOM 1396 CD2 TYR A 90 -3.478 -4.910 -8.382 1.00 0.00 C ATOM 1397 CE1 TYR A 90 -4.976 -7.178 -7.907 1.00 0.00 C ATOM 1398 CE2 TYR A 90 -4.650 -4.820 -7.656 1.00 0.00 C ATOM 1399 CZ TYR A 90 -5.396 -5.957 -7.422 1.00 0.00 C ATOM 1400 OH TYR A 90 -6.564 -5.872 -6.699 1.00 0.00 O ATOM 0 H TYR A 90 -0.382 -6.010 -7.625 1.00 0.00 H new ATOM 0 HA TYR A 90 -1.384 -8.250 -9.068 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -1.228 -5.267 -9.618 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -1.992 -6.391 -10.724 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -3.478 -8.216 -9.009 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.897 -4.018 -8.564 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.561 -8.066 -7.722 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -4.980 -3.865 -7.274 1.00 0.00 H new ATOM 0 HH TYR A 90 -6.715 -4.942 -6.430 1.00 0.00 H new ATOM 1410 N LYS A 91 1.475 -7.083 -9.958 1.00 0.00 N ATOM 1411 CA LYS A 91 2.603 -7.251 -10.868 1.00 0.00 C ATOM 1412 C LYS A 91 3.415 -8.490 -10.505 1.00 0.00 C ATOM 1413 O LYS A 91 3.544 -9.416 -11.306 1.00 0.00 O ATOM 1414 CB LYS A 91 3.500 -6.012 -10.834 1.00 0.00 C ATOM 1415 CG LYS A 91 4.758 -6.149 -11.674 1.00 0.00 C ATOM 1416 CD LYS A 91 5.709 -4.986 -11.447 1.00 0.00 C ATOM 1417 CE LYS A 91 6.785 -4.928 -12.521 1.00 0.00 C ATOM 1418 NZ LYS A 91 7.573 -3.667 -12.451 1.00 0.00 N ATOM 0 H LYS A 91 1.693 -6.561 -9.109 1.00 0.00 H new ATOM 0 HA LYS A 91 2.209 -7.379 -11.876 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.930 -5.152 -11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.783 -5.807 -9.802 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.261 -7.085 -11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.489 -6.199 -12.729 1.00 0.00 H new ATOM 0 HD2 LYS A 91 5.148 -4.052 -11.442 1.00 0.00 H new ATOM 0 HD3 LYS A 91 6.176 -5.083 -10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.455 -5.781 -12.410 1.00 0.00 H new ATOM 0 HE3 LYS A 91 6.321 -5.012 -13.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.949 -3.440 -13.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 6.960 -2.892 -12.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.362 -3.787 -11.784 1.00 0.00 H new ATOM 1432 N TYR A 92 3.958 -8.502 -9.293 1.00 0.00 N ATOM 1433 CA TYR A 92 4.758 -9.627 -8.825 1.00 0.00 C ATOM 1434 C TYR A 92 3.989 -10.937 -8.964 1.00 0.00 C ATOM 1435 O TYR A 92 4.337 -11.790 -9.779 1.00 0.00 O ATOM 1436 CB TYR A 92 5.169 -9.416 -7.366 1.00 0.00 C ATOM 1437 CG TYR A 92 6.256 -10.358 -6.901 1.00 0.00 C ATOM 1438 CD1 TYR A 92 7.483 -10.409 -7.552 1.00 0.00 C ATOM 1439 CD2 TYR A 92 6.057 -11.197 -5.812 1.00 0.00 C ATOM 1440 CE1 TYR A 92 8.479 -11.269 -7.131 1.00 0.00 C ATOM 1441 CE2 TYR A 92 7.048 -12.059 -5.384 1.00 0.00 C ATOM 1442 CZ TYR A 92 8.257 -12.091 -6.046 1.00 0.00 C ATOM 1443 OH TYR A 92 9.247 -12.949 -5.623 1.00 0.00 O ATOM 0 H TYR A 92 3.859 -7.745 -8.617 1.00 0.00 H new ATOM 0 HA TYR A 92 5.654 -9.685 -9.443 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.511 -8.389 -7.239 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.294 -9.542 -6.729 1.00 0.00 H new ATOM 0 HD1 TYR A 92 7.661 -9.766 -8.401 1.00 0.00 H new ATOM 0 HD2 TYR A 92 5.111 -11.175 -5.291 1.00 0.00 H new ATOM 0 HE1 TYR A 92 9.426 -11.297 -7.649 1.00 0.00 H new ATOM 0 HE2 TYR A 92 6.877 -12.704 -4.535 1.00 0.00 H new ATOM 0 HH TYR A 92 10.124 -12.562 -5.826 1.00 0.00 H new ATOM 1453 N ASN A 93 2.941 -11.089 -8.161 1.00 0.00 N ATOM 1454 CA ASN A 93 2.121 -12.294 -8.194 1.00 0.00 C ATOM 1455 C ASN A 93 1.431 -12.447 -9.546 1.00 0.00 C ATOM 1456 O ASN A 93 0.965 -11.478 -10.146 1.00 0.00 O ATOM 1457 CB ASN A 93 1.076 -12.256 -7.077 1.00 0.00 C ATOM 1458 CG ASN A 93 1.692 -11.984 -5.718 1.00 0.00 C ATOM 1459 OD1 ASN A 93 1.054 -11.114 -4.943 1.00 0.00 O flip ATOM 1460 ND2 ASN A 93 2.729 -12.549 -5.369 1.00 0.00 N flip ATOM 0 H ASN A 93 2.640 -10.392 -7.479 1.00 0.00 H new ATOM 0 HA ASN A 93 2.775 -13.152 -8.041 1.00 0.00 H new ATOM 0 HB2 ASN A 93 0.338 -11.485 -7.299 1.00 0.00 H new ATOM 0 HB3 ASN A 93 0.544 -13.207 -7.048 1.00 0.00 H new ATOM 0 HD21 ASN A 93 3.186 -13.210 -5.997 1.00 0.00 H new ATOM 0 HD22 ASN A 93 3.131 -12.356 -4.452 1.00 0.00 H new ATOM 1467 N PRO A 94 1.362 -13.693 -10.038 1.00 0.00 N ATOM 1468 CA PRO A 94 0.730 -14.002 -11.324 1.00 0.00 C ATOM 1469 C PRO A 94 -0.785 -13.830 -11.281 1.00 0.00 C ATOM 1470 O PRO A 94 -1.387 -13.681 -10.217 1.00 0.00 O ATOM 1471 CB PRO A 94 1.095 -15.471 -11.554 1.00 0.00 C ATOM 1472 CG PRO A 94 1.323 -16.023 -10.190 1.00 0.00 C ATOM 1473 CD PRO A 94 1.896 -14.895 -9.377 1.00 0.00 C ATOM 0 HA PRO A 94 1.070 -13.335 -12.116 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.293 -16.002 -12.067 1.00 0.00 H new ATOM 0 HB3 PRO A 94 1.987 -15.565 -12.173 1.00 0.00 H new ATOM 0 HG2 PRO A 94 0.391 -16.384 -9.754 1.00 0.00 H new ATOM 0 HG3 PRO A 94 2.009 -16.869 -10.221 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.584 -14.952 -8.334 1.00 0.00 H new ATOM 0 HD3 PRO A 94 2.986 -14.907 -9.385 1.00 0.00 H new ATOM 1481 N PRO A 95 -1.417 -13.852 -12.464 1.00 0.00 N ATOM 1482 CA PRO A 95 -2.870 -13.701 -12.587 1.00 0.00 C ATOM 1483 C PRO A 95 -3.627 -14.911 -12.050 1.00 0.00 C ATOM 1484 O PRO A 95 -4.858 -14.927 -12.030 1.00 0.00 O ATOM 1485 CB PRO A 95 -3.085 -13.563 -14.097 1.00 0.00 C ATOM 1486 CG PRO A 95 -1.915 -14.251 -14.710 1.00 0.00 C ATOM 1487 CD PRO A 95 -0.763 -14.026 -13.771 1.00 0.00 C ATOM 0 HA PRO A 95 -3.242 -12.855 -12.010 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -4.023 -14.024 -14.407 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -3.130 -12.516 -14.396 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -2.112 -15.315 -14.838 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -1.698 -13.846 -15.698 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -0.077 -14.873 -13.767 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -0.183 -13.146 -14.050 1.00 0.00 H new ATOM 1495 N ASP A 96 -2.883 -15.922 -11.615 1.00 0.00 N ATOM 1496 CA ASP A 96 -3.484 -17.136 -11.075 1.00 0.00 C ATOM 1497 C ASP A 96 -3.251 -17.236 -9.571 1.00 0.00 C ATOM 1498 O ASP A 96 -3.641 -18.216 -8.935 1.00 0.00 O ATOM 1499 CB ASP A 96 -2.910 -18.369 -11.775 1.00 0.00 C ATOM 1500 CG ASP A 96 -3.340 -18.464 -13.226 1.00 0.00 C ATOM 1501 OD1 ASP A 96 -4.463 -18.948 -13.482 1.00 0.00 O ATOM 1502 OD2 ASP A 96 -2.555 -18.053 -14.105 1.00 0.00 O ATOM 0 H ASP A 96 -1.863 -15.925 -11.626 1.00 0.00 H new ATOM 0 HA ASP A 96 -4.558 -17.091 -11.256 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.822 -18.339 -11.723 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -3.230 -19.266 -11.245 1.00 0.00 H new ATOM 1507 N HIS A 97 -2.613 -16.215 -9.007 1.00 0.00 N ATOM 1508 CA HIS A 97 -2.327 -16.188 -7.577 1.00 0.00 C ATOM 1509 C HIS A 97 -3.572 -15.804 -6.782 1.00 0.00 C ATOM 1510 O HIS A 97 -4.219 -14.799 -7.073 1.00 0.00 O ATOM 1511 CB HIS A 97 -1.194 -15.205 -7.280 1.00 0.00 C ATOM 1512 CG HIS A 97 -0.352 -15.599 -6.106 1.00 0.00 C ATOM 1513 ND1 HIS A 97 -0.660 -15.250 -4.808 1.00 0.00 N ATOM 1514 CD2 HIS A 97 0.793 -16.318 -6.039 1.00 0.00 C ATOM 1515 CE1 HIS A 97 0.260 -15.735 -3.994 1.00 0.00 C ATOM 1516 NE2 HIS A 97 1.152 -16.388 -4.716 1.00 0.00 N ATOM 0 H HIS A 97 -2.284 -15.396 -9.518 1.00 0.00 H new ATOM 0 HA HIS A 97 -2.018 -17.188 -7.274 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -0.558 -15.120 -8.161 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -1.619 -14.218 -7.097 1.00 0.00 H new ATOM 0 HD2 HIS A 97 1.325 -16.755 -6.871 1.00 0.00 H new ATOM 0 HE1 HIS A 97 0.279 -15.617 -2.921 1.00 0.00 H new ATOM 0 HE2 HIS A 97 1.975 -16.867 -4.350 1.00 0.00 H new ATOM 1524 N GLU A 98 -3.899 -16.611 -5.778 1.00 0.00 N ATOM 1525 CA GLU A 98 -5.067 -16.355 -4.943 1.00 0.00 C ATOM 1526 C GLU A 98 -4.984 -14.973 -4.300 1.00 0.00 C ATOM 1527 O GLU A 98 -5.976 -14.247 -4.234 1.00 0.00 O ATOM 1528 CB GLU A 98 -5.191 -17.427 -3.859 1.00 0.00 C ATOM 1529 CG GLU A 98 -4.342 -17.151 -2.629 1.00 0.00 C ATOM 1530 CD GLU A 98 -4.425 -18.262 -1.601 1.00 0.00 C ATOM 1531 OE1 GLU A 98 -5.476 -18.380 -0.937 1.00 0.00 O ATOM 1532 OE2 GLU A 98 -3.438 -19.014 -1.460 1.00 0.00 O ATOM 0 H GLU A 98 -3.373 -17.447 -5.523 1.00 0.00 H new ATOM 0 HA GLU A 98 -5.951 -16.388 -5.580 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -6.236 -17.508 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -4.904 -18.391 -4.279 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -3.303 -17.018 -2.932 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.663 -16.215 -2.173 1.00 0.00 H new ATOM 1539 N VAL A 99 -3.794 -14.618 -3.827 1.00 0.00 N ATOM 1540 CA VAL A 99 -3.580 -13.324 -3.190 1.00 0.00 C ATOM 1541 C VAL A 99 -4.148 -12.192 -4.040 1.00 0.00 C ATOM 1542 O VAL A 99 -4.593 -11.171 -3.516 1.00 0.00 O ATOM 1543 CB VAL A 99 -2.083 -13.062 -2.940 1.00 0.00 C ATOM 1544 CG1 VAL A 99 -1.434 -12.453 -4.174 1.00 0.00 C ATOM 1545 CG2 VAL A 99 -1.895 -12.161 -1.729 1.00 0.00 C ATOM 0 H VAL A 99 -2.963 -15.208 -3.873 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.101 -13.353 -2.233 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.595 -14.015 -2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -0.377 -12.275 -3.979 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.537 -13.139 -5.015 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -1.923 -11.509 -4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.831 -11.986 -1.567 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.397 -11.209 -1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.322 -12.641 -0.849 1.00 0.00 H new ATOM 1555 N VAL A 100 -4.130 -12.381 -5.355 1.00 0.00 N ATOM 1556 CA VAL A 100 -4.645 -11.377 -6.279 1.00 0.00 C ATOM 1557 C VAL A 100 -6.125 -11.110 -6.031 1.00 0.00 C ATOM 1558 O VAL A 100 -6.578 -9.968 -6.091 1.00 0.00 O ATOM 1559 CB VAL A 100 -4.451 -11.811 -7.744 1.00 0.00 C ATOM 1560 CG1 VAL A 100 -5.054 -10.783 -8.689 1.00 0.00 C ATOM 1561 CG2 VAL A 100 -2.975 -12.023 -8.046 1.00 0.00 C ATOM 0 H VAL A 100 -3.764 -13.220 -5.805 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.079 -10.463 -6.101 1.00 0.00 H new ATOM 0 HB VAL A 100 -4.969 -12.758 -7.896 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -4.908 -11.106 -9.720 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.121 -10.685 -8.487 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.566 -9.820 -8.538 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.857 -12.329 -9.085 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.432 -11.093 -7.878 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -2.578 -12.799 -7.392 1.00 0.00 H new ATOM 1571 N ALA A 101 -6.873 -12.172 -5.751 1.00 0.00 N ATOM 1572 CA ALA A 101 -8.303 -12.052 -5.491 1.00 0.00 C ATOM 1573 C ALA A 101 -8.562 -11.365 -4.154 1.00 0.00 C ATOM 1574 O ALA A 101 -9.576 -10.691 -3.979 1.00 0.00 O ATOM 1575 CB ALA A 101 -8.961 -13.423 -5.519 1.00 0.00 C ATOM 0 H ALA A 101 -6.513 -13.125 -5.698 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.740 -11.436 -6.277 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -10.028 -13.318 -5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -8.814 -13.877 -6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.512 -14.058 -4.755 1.00 0.00 H new ATOM 1581 N MET A 102 -7.639 -11.542 -3.215 1.00 0.00 N ATOM 1582 CA MET A 102 -7.768 -10.939 -1.894 1.00 0.00 C ATOM 1583 C MET A 102 -7.477 -9.442 -1.949 1.00 0.00 C ATOM 1584 O MET A 102 -8.269 -8.629 -1.473 1.00 0.00 O ATOM 1585 CB MET A 102 -6.820 -11.618 -0.904 1.00 0.00 C ATOM 1586 CG MET A 102 -7.150 -13.081 -0.652 1.00 0.00 C ATOM 1587 SD MET A 102 -6.531 -13.669 0.935 1.00 0.00 S ATOM 1588 CE MET A 102 -4.881 -12.972 0.935 1.00 0.00 C ATOM 0 H MET A 102 -6.794 -12.098 -3.344 1.00 0.00 H new ATOM 0 HA MET A 102 -8.795 -11.080 -1.557 1.00 0.00 H new ATOM 0 HB2 MET A 102 -5.800 -11.544 -1.281 1.00 0.00 H new ATOM 0 HB3 MET A 102 -6.850 -11.079 0.043 1.00 0.00 H new ATOM 0 HG2 MET A 102 -8.231 -13.217 -0.689 1.00 0.00 H new ATOM 0 HG3 MET A 102 -6.725 -13.688 -1.451 1.00 0.00 H new ATOM 0 HE1 MET A 102 -4.189 -13.676 1.397 1.00 0.00 H new ATOM 0 HE2 MET A 102 -4.569 -12.777 -0.091 1.00 0.00 H new ATOM 0 HE3 MET A 102 -4.880 -12.039 1.498 1.00 0.00 H new ATOM 1598 N ALA A 103 -6.337 -9.086 -2.532 1.00 0.00 N ATOM 1599 CA ALA A 103 -5.943 -7.688 -2.650 1.00 0.00 C ATOM 1600 C ALA A 103 -7.103 -6.831 -3.145 1.00 0.00 C ATOM 1601 O ALA A 103 -7.425 -5.802 -2.551 1.00 0.00 O ATOM 1602 CB ALA A 103 -4.749 -7.553 -3.583 1.00 0.00 C ATOM 0 H ALA A 103 -5.670 -9.747 -2.930 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.659 -7.332 -1.660 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -4.466 -6.503 -3.662 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -3.911 -8.126 -3.187 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.014 -7.932 -4.570 1.00 0.00 H new ATOM 1608 N ARG A 104 -7.727 -7.262 -4.237 1.00 0.00 N ATOM 1609 CA ARG A 104 -8.850 -6.532 -4.813 1.00 0.00 C ATOM 1610 C ARG A 104 -9.852 -6.135 -3.733 1.00 0.00 C ATOM 1611 O ARG A 104 -10.195 -4.961 -3.591 1.00 0.00 O ATOM 1612 CB ARG A 104 -9.544 -7.382 -5.880 1.00 0.00 C ATOM 1613 CG ARG A 104 -8.711 -7.583 -7.135 1.00 0.00 C ATOM 1614 CD ARG A 104 -9.328 -8.628 -8.051 1.00 0.00 C ATOM 1615 NE ARG A 104 -9.012 -8.381 -9.456 1.00 0.00 N ATOM 1616 CZ ARG A 104 -9.478 -9.121 -10.455 1.00 0.00 C ATOM 1617 NH1 ARG A 104 -10.277 -10.149 -10.207 1.00 0.00 N ATOM 1618 NH2 ARG A 104 -9.145 -8.832 -11.707 1.00 0.00 N ATOM 0 H ARG A 104 -7.474 -8.112 -4.740 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.462 -5.624 -5.276 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -9.787 -8.356 -5.455 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.488 -6.909 -6.152 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -8.621 -6.637 -7.669 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.702 -7.890 -6.858 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -8.968 -9.617 -7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -10.410 -8.633 -7.918 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.400 -7.597 -9.682 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.536 -10.374 -9.246 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -10.633 -10.715 -10.977 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -8.531 -8.041 -11.902 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -9.503 -9.401 -12.474 1.00 0.00 H new ATOM 1632 N LYS A 105 -10.318 -7.121 -2.974 1.00 0.00 N ATOM 1633 CA LYS A 105 -11.279 -6.876 -1.906 1.00 0.00 C ATOM 1634 C LYS A 105 -10.923 -5.610 -1.133 1.00 0.00 C ATOM 1635 O LYS A 105 -11.803 -4.846 -0.733 1.00 0.00 O ATOM 1636 CB LYS A 105 -11.329 -8.071 -0.952 1.00 0.00 C ATOM 1637 CG LYS A 105 -12.009 -9.294 -1.544 1.00 0.00 C ATOM 1638 CD LYS A 105 -11.718 -10.543 -0.729 1.00 0.00 C ATOM 1639 CE LYS A 105 -12.465 -11.750 -1.274 1.00 0.00 C ATOM 1640 NZ LYS A 105 -11.804 -12.311 -2.485 1.00 0.00 N ATOM 0 H LYS A 105 -10.045 -8.098 -3.079 1.00 0.00 H new ATOM 0 HA LYS A 105 -12.261 -6.740 -2.360 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -10.312 -8.336 -0.661 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -11.854 -7.778 -0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -13.086 -9.128 -1.586 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -11.669 -9.440 -2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -10.646 -10.743 -0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -12.003 -10.376 0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -12.524 -12.519 -0.504 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.488 -11.464 -1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -12.512 -12.449 -3.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -11.072 -11.652 -2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -11.366 -13.224 -2.250 1.00 0.00 H new ATOM 1654 N LEU A 106 -9.629 -5.391 -0.929 1.00 0.00 N ATOM 1655 CA LEU A 106 -9.156 -4.216 -0.205 1.00 0.00 C ATOM 1656 C LEU A 106 -9.243 -2.968 -1.078 1.00 0.00 C ATOM 1657 O LEU A 106 -9.845 -1.968 -0.688 1.00 0.00 O ATOM 1658 CB LEU A 106 -7.715 -4.427 0.263 1.00 0.00 C ATOM 1659 CG LEU A 106 -7.172 -3.393 1.250 1.00 0.00 C ATOM 1660 CD1 LEU A 106 -7.929 -3.464 2.567 1.00 0.00 C ATOM 1661 CD2 LEU A 106 -5.682 -3.603 1.476 1.00 0.00 C ATOM 0 H LEU A 106 -8.888 -6.012 -1.255 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.796 -4.073 0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.644 -5.412 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.067 -4.438 -0.614 1.00 0.00 H new ATOM 0 HG LEU A 106 -7.318 -2.400 0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -7.529 -2.721 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -8.986 -3.263 2.391 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -7.816 -4.458 2.999 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -5.312 -2.858 2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -5.512 -4.601 1.880 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.152 -3.500 0.529 1.00 0.00 H new ATOM 1673 N GLN A 107 -8.638 -3.036 -2.259 1.00 0.00 N ATOM 1674 CA GLN A 107 -8.648 -1.911 -3.187 1.00 0.00 C ATOM 1675 C GLN A 107 -10.061 -1.366 -3.366 1.00 0.00 C ATOM 1676 O GLN A 107 -10.285 -0.158 -3.292 1.00 0.00 O ATOM 1677 CB GLN A 107 -8.077 -2.335 -4.542 1.00 0.00 C ATOM 1678 CG GLN A 107 -7.453 -1.191 -5.324 1.00 0.00 C ATOM 1679 CD GLN A 107 -7.492 -1.419 -6.822 1.00 0.00 C ATOM 1680 OE1 GLN A 107 -6.836 -2.323 -7.341 1.00 0.00 O ATOM 1681 NE2 GLN A 107 -8.262 -0.599 -7.527 1.00 0.00 N ATOM 0 H GLN A 107 -8.135 -3.857 -2.596 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.024 -1.122 -2.768 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -7.326 -3.109 -4.384 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.873 -2.781 -5.139 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.978 -0.265 -5.087 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -6.418 -1.061 -5.007 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -8.789 0.137 -7.056 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -8.327 -0.705 -8.539 1.00 0.00 H new ATOM 1690 N ASP A 108 -11.011 -2.264 -3.603 1.00 0.00 N ATOM 1691 CA ASP A 108 -12.403 -1.873 -3.792 1.00 0.00 C ATOM 1692 C ASP A 108 -12.872 -0.966 -2.658 1.00 0.00 C ATOM 1693 O ASP A 108 -13.615 -0.010 -2.881 1.00 0.00 O ATOM 1694 CB ASP A 108 -13.297 -3.112 -3.872 1.00 0.00 C ATOM 1695 CG ASP A 108 -14.565 -2.861 -4.663 1.00 0.00 C ATOM 1696 OD1 ASP A 108 -14.461 -2.402 -5.820 1.00 0.00 O ATOM 1697 OD2 ASP A 108 -15.662 -3.122 -4.126 1.00 0.00 O ATOM 0 H ASP A 108 -10.842 -3.268 -3.669 1.00 0.00 H new ATOM 0 HA ASP A 108 -12.475 -1.321 -4.729 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -12.741 -3.929 -4.332 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -13.559 -3.433 -2.864 1.00 0.00 H new ATOM 1702 N VAL A 109 -12.432 -1.272 -1.442 1.00 0.00 N ATOM 1703 CA VAL A 109 -12.806 -0.485 -0.273 1.00 0.00 C ATOM 1704 C VAL A 109 -12.018 0.819 -0.214 1.00 0.00 C ATOM 1705 O VAL A 109 -12.548 1.860 0.176 1.00 0.00 O ATOM 1706 CB VAL A 109 -12.575 -1.271 1.031 1.00 0.00 C ATOM 1707 CG1 VAL A 109 -12.978 -0.436 2.237 1.00 0.00 C ATOM 1708 CG2 VAL A 109 -13.340 -2.586 1.003 1.00 0.00 C ATOM 0 H VAL A 109 -11.816 -2.060 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 109 -13.868 -0.261 -0.369 1.00 0.00 H new ATOM 0 HB VAL A 109 -11.512 -1.497 1.115 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -12.808 -1.008 3.149 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -12.381 0.476 2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -14.034 -0.177 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -13.165 -3.128 1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -14.406 -2.385 0.895 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -12.998 -3.188 0.161 1.00 0.00 H new ATOM 1718 N PHE A 110 -10.750 0.755 -0.604 1.00 0.00 N ATOM 1719 CA PHE A 110 -9.887 1.931 -0.595 1.00 0.00 C ATOM 1720 C PHE A 110 -10.381 2.976 -1.592 1.00 0.00 C ATOM 1721 O PHE A 110 -10.104 4.166 -1.448 1.00 0.00 O ATOM 1722 CB PHE A 110 -8.446 1.536 -0.926 1.00 0.00 C ATOM 1723 CG PHE A 110 -7.561 2.707 -1.240 1.00 0.00 C ATOM 1724 CD1 PHE A 110 -6.983 3.449 -0.222 1.00 0.00 C ATOM 1725 CD2 PHE A 110 -7.305 3.066 -2.553 1.00 0.00 C ATOM 1726 CE1 PHE A 110 -6.168 4.528 -0.509 1.00 0.00 C ATOM 1727 CE2 PHE A 110 -6.490 4.144 -2.846 1.00 0.00 C ATOM 1728 CZ PHE A 110 -5.920 4.875 -1.822 1.00 0.00 C ATOM 0 H PHE A 110 -10.297 -0.098 -0.930 1.00 0.00 H new ATOM 0 HA PHE A 110 -9.917 2.364 0.405 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -8.025 0.988 -0.083 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -8.451 0.856 -1.778 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -7.171 3.181 0.807 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -7.747 2.497 -3.358 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -5.725 5.099 0.294 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -6.299 4.414 -3.874 1.00 0.00 H new ATOM 0 HZ PHE A 110 -5.282 5.716 -2.048 1.00 0.00 H new ATOM 1738 N GLU A 111 -11.114 2.520 -2.603 1.00 0.00 N ATOM 1739 CA GLU A 111 -11.645 3.414 -3.625 1.00 0.00 C ATOM 1740 C GLU A 111 -12.881 4.150 -3.114 1.00 0.00 C ATOM 1741 O GLU A 111 -12.896 5.377 -3.033 1.00 0.00 O ATOM 1742 CB GLU A 111 -11.992 2.629 -4.891 1.00 0.00 C ATOM 1743 CG GLU A 111 -10.783 2.283 -5.744 1.00 0.00 C ATOM 1744 CD GLU A 111 -9.933 3.496 -6.070 1.00 0.00 C ATOM 1745 OE1 GLU A 111 -10.510 4.570 -6.340 1.00 0.00 O ATOM 1746 OE2 GLU A 111 -8.691 3.371 -6.054 1.00 0.00 O ATOM 0 H GLU A 111 -11.353 1.537 -2.736 1.00 0.00 H new ATOM 0 HA GLU A 111 -10.877 4.150 -3.863 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -12.502 1.708 -4.609 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.693 3.212 -5.489 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.173 1.546 -5.221 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.118 1.819 -6.672 1.00 0.00 H new ATOM 1753 N MET A 112 -13.916 3.389 -2.773 1.00 0.00 N ATOM 1754 CA MET A 112 -15.157 3.968 -2.270 1.00 0.00 C ATOM 1755 C MET A 112 -14.874 4.988 -1.172 1.00 0.00 C ATOM 1756 O MET A 112 -15.389 6.106 -1.202 1.00 0.00 O ATOM 1757 CB MET A 112 -16.078 2.869 -1.737 1.00 0.00 C ATOM 1758 CG MET A 112 -15.473 2.070 -0.594 1.00 0.00 C ATOM 1759 SD MET A 112 -16.552 0.739 -0.030 1.00 0.00 S ATOM 1760 CE MET A 112 -17.812 1.670 0.838 1.00 0.00 C ATOM 0 H MET A 112 -13.920 2.371 -2.836 1.00 0.00 H new ATOM 0 HA MET A 112 -15.653 4.478 -3.096 1.00 0.00 H new ATOM 0 HB2 MET A 112 -17.011 3.320 -1.400 1.00 0.00 H new ATOM 0 HB3 MET A 112 -16.329 2.190 -2.552 1.00 0.00 H new ATOM 0 HG2 MET A 112 -14.520 1.649 -0.915 1.00 0.00 H new ATOM 0 HG3 MET A 112 -15.261 2.739 0.240 1.00 0.00 H new ATOM 0 HE1 MET A 112 -17.816 1.384 1.890 1.00 0.00 H new ATOM 0 HE2 MET A 112 -17.600 2.736 0.753 1.00 0.00 H new ATOM 0 HE3 MET A 112 -18.788 1.458 0.401 1.00 0.00 H new ATOM 1770 N ARG A 113 -14.054 4.596 -0.202 1.00 0.00 N ATOM 1771 CA ARG A 113 -13.705 5.476 0.906 1.00 0.00 C ATOM 1772 C ARG A 113 -13.212 6.826 0.394 1.00 0.00 C ATOM 1773 O ARG A 113 -13.755 7.872 0.749 1.00 0.00 O ATOM 1774 CB ARG A 113 -12.631 4.827 1.782 1.00 0.00 C ATOM 1775 CG ARG A 113 -13.165 3.729 2.688 1.00 0.00 C ATOM 1776 CD ARG A 113 -14.198 4.267 3.666 1.00 0.00 C ATOM 1777 NE ARG A 113 -15.551 4.212 3.118 1.00 0.00 N ATOM 1778 CZ ARG A 113 -16.633 4.578 3.796 1.00 0.00 C ATOM 1779 NH1 ARG A 113 -16.521 5.024 5.040 1.00 0.00 N ATOM 1780 NH2 ARG A 113 -17.830 4.498 3.230 1.00 0.00 N ATOM 0 H ARG A 113 -13.619 3.674 -0.161 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.602 5.639 1.504 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -11.854 4.411 1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -12.161 5.596 2.395 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.612 2.941 2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -12.340 3.278 3.240 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -14.157 3.690 4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -13.952 5.298 3.922 1.00 0.00 H new ATOM 0 HE ARG A 113 -15.671 3.874 2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -15.602 5.087 5.479 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -17.354 5.304 5.558 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -17.920 4.155 2.274 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -18.660 4.779 3.751 1.00 0.00 H new ATOM 1794 N PHE A 114 -12.179 6.794 -0.441 1.00 0.00 N ATOM 1795 CA PHE A 114 -11.611 8.015 -1.001 1.00 0.00 C ATOM 1796 C PHE A 114 -12.689 8.855 -1.679 1.00 0.00 C ATOM 1797 O PHE A 114 -12.623 10.084 -1.683 1.00 0.00 O ATOM 1798 CB PHE A 114 -10.507 7.676 -2.004 1.00 0.00 C ATOM 1799 CG PHE A 114 -9.498 8.775 -2.180 1.00 0.00 C ATOM 1800 CD1 PHE A 114 -8.415 8.883 -1.323 1.00 0.00 C ATOM 1801 CD2 PHE A 114 -9.634 9.701 -3.202 1.00 0.00 C ATOM 1802 CE1 PHE A 114 -7.485 9.893 -1.482 1.00 0.00 C ATOM 1803 CE2 PHE A 114 -8.707 10.713 -3.366 1.00 0.00 C ATOM 1804 CZ PHE A 114 -7.632 10.810 -2.505 1.00 0.00 C ATOM 0 H PHE A 114 -11.718 5.936 -0.745 1.00 0.00 H new ATOM 0 HA PHE A 114 -11.184 8.595 -0.183 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.994 6.772 -1.676 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -10.961 7.452 -2.970 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -8.296 8.169 -0.521 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.474 9.631 -3.878 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -6.645 9.965 -0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -8.823 11.428 -4.167 1.00 0.00 H new ATOM 0 HZ PHE A 114 -6.908 11.601 -2.631 1.00 0.00 H new ATOM 1814 N ALA A 115 -13.681 8.183 -2.253 1.00 0.00 N ATOM 1815 CA ALA A 115 -14.775 8.866 -2.933 1.00 0.00 C ATOM 1816 C ALA A 115 -15.709 9.537 -1.932 1.00 0.00 C ATOM 1817 O ALA A 115 -16.033 10.718 -2.065 1.00 0.00 O ATOM 1818 CB ALA A 115 -15.547 7.887 -3.805 1.00 0.00 C ATOM 0 H ALA A 115 -13.750 7.165 -2.261 1.00 0.00 H new ATOM 0 HA ALA A 115 -14.348 9.642 -3.568 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -16.361 8.410 -4.307 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -14.878 7.458 -4.550 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -15.956 7.091 -3.183 1.00 0.00 H new ATOM 1824 N LYS A 116 -16.140 8.778 -0.931 1.00 0.00 N ATOM 1825 CA LYS A 116 -17.038 9.299 0.094 1.00 0.00 C ATOM 1826 C LYS A 116 -16.497 10.599 0.681 1.00 0.00 C ATOM 1827 O LYS A 116 -17.256 11.523 0.972 1.00 0.00 O ATOM 1828 CB LYS A 116 -17.230 8.266 1.206 1.00 0.00 C ATOM 1829 CG LYS A 116 -18.364 7.290 0.940 1.00 0.00 C ATOM 1830 CD LYS A 116 -18.168 6.553 -0.374 1.00 0.00 C ATOM 1831 CE LYS A 116 -19.478 5.980 -0.893 1.00 0.00 C ATOM 1832 NZ LYS A 116 -19.998 4.899 -0.011 1.00 0.00 N ATOM 0 H LYS A 116 -15.882 7.799 -0.807 1.00 0.00 H new ATOM 0 HA LYS A 116 -18.001 9.505 -0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -16.303 7.707 1.335 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.422 8.786 2.145 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -18.425 6.570 1.756 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -19.311 7.829 0.918 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -17.749 7.234 -1.115 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -17.447 5.748 -0.236 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -20.219 6.776 -0.967 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -19.330 5.588 -1.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -20.892 4.534 -0.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -19.302 4.128 0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -20.164 5.279 0.943 1.00 0.00 H new ATOM 1846 N MET A 117 -15.180 10.663 0.851 1.00 0.00 N ATOM 1847 CA MET A 117 -14.538 11.851 1.402 1.00 0.00 C ATOM 1848 C MET A 117 -14.935 13.097 0.615 1.00 0.00 C ATOM 1849 O MET A 117 -14.921 14.208 1.145 1.00 0.00 O ATOM 1850 CB MET A 117 -13.017 11.688 1.388 1.00 0.00 C ATOM 1851 CG MET A 117 -12.285 12.748 2.194 1.00 0.00 C ATOM 1852 SD MET A 117 -10.501 12.484 2.230 1.00 0.00 S ATOM 1853 CE MET A 117 -10.141 12.365 0.480 1.00 0.00 C ATOM 0 H MET A 117 -14.537 9.907 0.615 1.00 0.00 H new ATOM 0 HA MET A 117 -14.874 11.971 2.432 1.00 0.00 H new ATOM 0 HB2 MET A 117 -12.762 10.704 1.781 1.00 0.00 H new ATOM 0 HB3 MET A 117 -12.666 11.721 0.357 1.00 0.00 H new ATOM 0 HG2 MET A 117 -12.495 13.730 1.770 1.00 0.00 H new ATOM 0 HG3 MET A 117 -12.668 12.752 3.214 1.00 0.00 H new ATOM 0 HE1 MET A 117 -9.118 12.694 0.296 1.00 0.00 H new ATOM 0 HE2 MET A 117 -10.254 11.331 0.155 1.00 0.00 H new ATOM 0 HE3 MET A 117 -10.832 12.998 -0.077 1.00 0.00 H new TER 1863 MET A 117