USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 918 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 81 MET CE :methyl -125:sc= -1.89 (180deg=-1.99!) USER MOD Set 1.2: A 82 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 13 SER OG : rot 180:sc= 0.414 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -175:sc= 0.505 USER MOD Single : A 30 CYS SG : rot -155:sc= -0.877 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -1:sc= -3.35 USER MOD Single : A 35 ASN : amide:sc= -0.0411 X(o=-0.041,f=0) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.211 F(o=-2.1!,f=-0.21) USER MOD Single : A 45 SER OG : rot -14:sc= 0.814 USER MOD Single : A 46 LYS NZ :NH3+ 145:sc= 0 (180deg=-0.0365) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN :FLIP amide:sc= -3.12 F(o=-7!,f=-3.1) USER MOD Single : A 70 LYS NZ :NH3+ 175:sc= -0.189 (180deg=-0.251) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.14 F(o=-3.4,f=-1.1) USER MOD Single : A 73 HIS : no HD1:sc= -15.1! C(o=-15!,f=-17!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 HIS :FLIP no HE2:sc= -1.24 F(o=-1.8,f=-1.2) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -65:sc= 1.29 USER MOD Single : A 94 TYR OH : rot 34:sc= -0.186 USER MOD Single : A 95 GLN : amide:sc= -2.85 K(o=-2.9,f=-4.7!) USER MOD Single : A 96 GLN : amide:sc= -1.41 K(o=-1.4,f=-9.8!) USER MOD Single : A 101 TYR OH : rot -142:sc= -3.23 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HD1:sc= -0.771 X(o=-0.77,f=-0.61) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 11.529 -13.492 -0.837 1.00 0.00 N ATOM 38 CA ARG A 3 12.712 -12.642 -0.810 1.00 0.00 C ATOM 39 C ARG A 3 12.382 -11.235 -0.308 1.00 0.00 C ATOM 40 O ARG A 3 13.254 -10.370 -0.256 1.00 0.00 O ATOM 41 CB ARG A 3 13.342 -12.559 -2.204 1.00 0.00 C ATOM 42 CG ARG A 3 12.381 -12.076 -3.278 1.00 0.00 C ATOM 43 CD ARG A 3 13.093 -11.242 -4.333 1.00 0.00 C ATOM 44 NE ARG A 3 13.263 -9.851 -3.917 1.00 0.00 N ATOM 45 CZ ARG A 3 14.404 -9.341 -3.452 1.00 0.00 C ATOM 46 NH1 ARG A 3 15.479 -10.107 -3.312 1.00 0.00 N ATOM 47 NH2 ARG A 3 14.469 -8.057 -3.124 1.00 0.00 N ATOM 0 HA ARG A 3 13.423 -13.092 -0.117 1.00 0.00 H new ATOM 0 HB2 ARG A 3 14.199 -11.887 -2.167 1.00 0.00 H new ATOM 0 HB3 ARG A 3 13.720 -13.543 -2.482 1.00 0.00 H new ATOM 0 HG2 ARG A 3 11.904 -12.934 -3.752 1.00 0.00 H new ATOM 0 HG3 ARG A 3 11.589 -11.484 -2.819 1.00 0.00 H new ATOM 0 HD2 ARG A 3 14.070 -11.679 -4.541 1.00 0.00 H new ATOM 0 HD3 ARG A 3 12.525 -11.274 -5.263 1.00 0.00 H new ATOM 0 HE ARG A 3 12.457 -9.230 -3.987 1.00 0.00 H new ATOM 0 HH11 ARG A 3 15.437 -11.095 -3.561 1.00 0.00 H new ATOM 0 HH12 ARG A 3 16.347 -9.707 -2.955 1.00 0.00 H new ATOM 0 HH21 ARG A 3 13.647 -7.462 -3.228 1.00 0.00 H new ATOM 0 HH22 ARG A 3 15.341 -7.665 -2.768 1.00 0.00 H new ATOM 61 N GLY A 4 11.121 -11.007 0.058 1.00 0.00 N ATOM 62 CA GLY A 4 10.718 -9.702 0.539 1.00 0.00 C ATOM 63 C GLY A 4 10.380 -8.763 -0.598 1.00 0.00 C ATOM 64 O GLY A 4 11.232 -8.009 -1.067 1.00 0.00 O ATOM 0 H GLY A 4 10.376 -11.703 0.029 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.852 -9.807 1.193 1.00 0.00 H new ATOM 0 HA3 GLY A 4 11.520 -9.272 1.139 1.00 0.00 H new ATOM 68 N ILE A 5 9.134 -8.817 -1.052 1.00 0.00 N ATOM 69 CA ILE A 5 8.686 -7.973 -2.147 1.00 0.00 C ATOM 70 C ILE A 5 7.703 -6.915 -1.662 1.00 0.00 C ATOM 71 O ILE A 5 6.583 -7.227 -1.250 1.00 0.00 O ATOM 72 CB ILE A 5 8.026 -8.805 -3.261 1.00 0.00 C ATOM 73 CG1 ILE A 5 8.909 -10.000 -3.628 1.00 0.00 C ATOM 74 CG2 ILE A 5 7.764 -7.937 -4.482 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.510 -11.281 -2.929 1.00 0.00 C ATOM 0 H ILE A 5 8.417 -9.438 -0.677 1.00 0.00 H new ATOM 0 HA ILE A 5 9.571 -7.480 -2.549 1.00 0.00 H new ATOM 0 HB ILE A 5 7.071 -9.184 -2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 5 8.867 -10.155 -4.706 1.00 0.00 H new ATOM 0 HG13 ILE A 5 9.944 -9.767 -3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 5 7.297 -8.538 -5.262 1.00 0.00 H new ATOM 0 HG22 ILE A 5 7.100 -7.117 -4.210 1.00 0.00 H new ATOM 0 HG23 ILE A 5 8.707 -7.533 -4.851 1.00 0.00 H new ATOM 0 HD11 ILE A 5 9.178 -12.086 -3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.579 -11.143 -1.850 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.485 -11.538 -3.197 1.00 0.00 H new ATOM 87 N VAL A 6 8.131 -5.658 -1.719 1.00 0.00 N ATOM 88 CA VAL A 6 7.291 -4.548 -1.291 1.00 0.00 C ATOM 89 C VAL A 6 6.822 -3.728 -2.487 1.00 0.00 C ATOM 90 O VAL A 6 7.632 -3.192 -3.242 1.00 0.00 O ATOM 91 CB VAL A 6 8.024 -3.614 -0.309 1.00 0.00 C ATOM 92 CG1 VAL A 6 9.338 -3.128 -0.908 1.00 0.00 C ATOM 93 CG2 VAL A 6 7.116 -2.451 0.062 1.00 0.00 C ATOM 0 H VAL A 6 9.054 -5.384 -2.057 1.00 0.00 H new ATOM 0 HA VAL A 6 6.433 -4.988 -0.783 1.00 0.00 H new ATOM 0 HB VAL A 6 8.267 -4.165 0.600 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.840 -2.470 -0.199 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.978 -3.984 -1.124 1.00 0.00 H new ATOM 0 HG13 VAL A 6 9.138 -2.582 -1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.636 -1.791 0.757 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.851 -1.895 -0.837 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.210 -2.833 0.533 1.00 0.00 H new ATOM 103 N TRP A 7 5.510 -3.630 -2.657 1.00 0.00 N ATOM 104 CA TRP A 7 4.950 -2.872 -3.767 1.00 0.00 C ATOM 105 C TRP A 7 4.222 -1.624 -3.280 1.00 0.00 C ATOM 106 O TRP A 7 3.578 -1.632 -2.232 1.00 0.00 O ATOM 107 CB TRP A 7 4.030 -3.768 -4.593 1.00 0.00 C ATOM 108 CG TRP A 7 4.799 -4.660 -5.521 1.00 0.00 C ATOM 109 CD1 TRP A 7 6.149 -4.857 -5.524 1.00 0.00 C ATOM 110 CD2 TRP A 7 4.272 -5.474 -6.574 1.00 0.00 C ATOM 111 NE1 TRP A 7 6.500 -5.726 -6.525 1.00 0.00 N ATOM 112 CE2 TRP A 7 5.365 -6.127 -7.179 1.00 0.00 C ATOM 113 CE3 TRP A 7 2.988 -5.714 -7.067 1.00 0.00 C ATOM 114 CZ2 TRP A 7 5.208 -7.001 -8.250 1.00 0.00 C ATOM 115 CZ3 TRP A 7 2.835 -6.584 -8.130 1.00 0.00 C ATOM 116 CH2 TRP A 7 3.939 -7.217 -8.711 1.00 0.00 C ATOM 0 H TRP A 7 4.818 -4.063 -2.045 1.00 0.00 H new ATOM 0 HA TRP A 7 5.768 -2.532 -4.403 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.422 -4.378 -3.925 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.344 -3.149 -5.171 1.00 0.00 H new ATOM 0 HD1 TRP A 7 6.842 -4.395 -4.837 1.00 0.00 H new ATOM 0 HE1 TRP A 7 7.450 -6.025 -6.746 1.00 0.00 H new ATOM 0 HE3 TRP A 7 2.130 -5.229 -6.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 6.058 -7.491 -8.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.846 -6.778 -8.519 1.00 0.00 H new ATOM 0 HH2 TRP A 7 3.786 -7.891 -9.541 1.00 0.00 H new ATOM 127 N VAL A 8 4.364 -0.540 -4.037 1.00 0.00 N ATOM 128 CA VAL A 8 3.754 0.737 -3.673 1.00 0.00 C ATOM 129 C VAL A 8 2.936 1.328 -4.821 1.00 0.00 C ATOM 130 O VAL A 8 3.326 1.240 -5.977 1.00 0.00 O ATOM 131 CB VAL A 8 4.834 1.771 -3.274 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.269 2.797 -2.304 1.00 0.00 C ATOM 133 CG2 VAL A 8 6.062 1.087 -2.686 1.00 0.00 C ATOM 0 H VAL A 8 4.896 -0.519 -4.907 1.00 0.00 H new ATOM 0 HA VAL A 8 3.095 0.531 -2.830 1.00 0.00 H new ATOM 0 HB VAL A 8 5.145 2.294 -4.179 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.047 3.513 -2.038 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.437 3.322 -2.774 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.918 2.292 -1.404 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.803 1.839 -2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.775 0.525 -1.798 1.00 0.00 H new ATOM 0 HG23 VAL A 8 6.488 0.407 -3.424 1.00 0.00 H new ATOM 143 N VAL A 9 1.818 1.958 -4.488 1.00 0.00 N ATOM 144 CA VAL A 9 0.972 2.592 -5.499 1.00 0.00 C ATOM 145 C VAL A 9 0.839 4.085 -5.190 1.00 0.00 C ATOM 146 O VAL A 9 0.227 4.465 -4.194 1.00 0.00 O ATOM 147 CB VAL A 9 -0.434 1.942 -5.592 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.746 1.546 -7.032 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.541 0.728 -4.675 1.00 0.00 C ATOM 0 H VAL A 9 1.474 2.046 -3.532 1.00 0.00 H new ATOM 0 HA VAL A 9 1.453 2.449 -6.466 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.166 2.680 -5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.736 1.092 -7.078 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.724 2.432 -7.666 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.002 0.831 -7.382 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.537 0.293 -4.761 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.205 -0.013 -4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.367 1.035 -3.644 1.00 0.00 H new ATOM 159 N ASP A 10 1.444 4.926 -6.033 1.00 0.00 N ATOM 160 CA ASP A 10 1.412 6.374 -5.818 1.00 0.00 C ATOM 161 C ASP A 10 1.749 7.142 -7.096 1.00 0.00 C ATOM 162 O ASP A 10 1.652 6.608 -8.196 1.00 0.00 O ATOM 163 CB ASP A 10 2.390 6.747 -4.695 1.00 0.00 C ATOM 164 CG ASP A 10 3.776 6.172 -4.920 1.00 0.00 C ATOM 165 OD1 ASP A 10 4.297 6.299 -6.047 1.00 0.00 O ATOM 166 OD2 ASP A 10 4.343 5.598 -3.967 1.00 0.00 O ATOM 0 H ASP A 10 1.958 4.632 -6.864 1.00 0.00 H new ATOM 0 HA ASP A 10 0.399 6.654 -5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.458 7.832 -4.621 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.000 6.387 -3.743 1.00 0.00 H new ATOM 171 N ASP A 11 2.135 8.404 -6.948 1.00 0.00 N ATOM 172 CA ASP A 11 2.466 9.238 -8.098 1.00 0.00 C ATOM 173 C ASP A 11 3.716 8.736 -8.818 1.00 0.00 C ATOM 174 O ASP A 11 4.098 9.279 -9.855 1.00 0.00 O ATOM 175 CB ASP A 11 2.674 10.690 -7.656 1.00 0.00 C ATOM 176 CG ASP A 11 1.426 11.293 -7.043 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.357 11.226 -7.683 1.00 0.00 O ATOM 178 OD2 ASP A 11 1.519 11.836 -5.921 1.00 0.00 O ATOM 0 H ASP A 11 2.226 8.871 -6.046 1.00 0.00 H new ATOM 0 HA ASP A 11 1.629 9.184 -8.795 1.00 0.00 H new ATOM 0 HB2 ASP A 11 3.488 10.733 -6.932 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.979 11.288 -8.515 1.00 0.00 H new ATOM 183 N ASP A 12 4.347 7.693 -8.282 1.00 0.00 N ATOM 184 CA ASP A 12 5.544 7.129 -8.899 1.00 0.00 C ATOM 185 C ASP A 12 6.700 8.132 -8.867 1.00 0.00 C ATOM 186 O ASP A 12 6.720 9.036 -8.032 1.00 0.00 O ATOM 187 CB ASP A 12 5.236 6.708 -10.343 1.00 0.00 C ATOM 188 CG ASP A 12 5.786 5.335 -10.676 1.00 0.00 C ATOM 189 OD1 ASP A 12 6.980 5.241 -11.031 1.00 0.00 O ATOM 190 OD2 ASP A 12 5.020 4.352 -10.586 1.00 0.00 O ATOM 0 H ASP A 12 4.051 7.224 -7.426 1.00 0.00 H new ATOM 0 HA ASP A 12 5.848 6.250 -8.330 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.157 6.711 -10.497 1.00 0.00 H new ATOM 0 HB3 ASP A 12 5.658 7.442 -11.030 1.00 0.00 H new ATOM 195 N SER A 13 7.652 7.971 -9.792 1.00 0.00 N ATOM 196 CA SER A 13 8.803 8.854 -9.894 1.00 0.00 C ATOM 197 C SER A 13 9.270 9.378 -8.531 1.00 0.00 C ATOM 198 O SER A 13 10.015 8.703 -7.821 1.00 0.00 O ATOM 199 CB SER A 13 8.457 9.990 -10.846 1.00 0.00 C ATOM 200 OG SER A 13 7.521 10.887 -10.271 1.00 0.00 O ATOM 0 H SER A 13 7.640 7.224 -10.487 1.00 0.00 H new ATOM 0 HA SER A 13 9.646 8.286 -10.288 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.365 10.532 -11.112 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.048 9.580 -11.770 1.00 0.00 H new ATOM 0 HG SER A 13 7.322 11.605 -10.908 1.00 0.00 H new ATOM 206 N SER A 14 8.834 10.581 -8.177 1.00 0.00 N ATOM 207 CA SER A 14 9.215 11.197 -6.908 1.00 0.00 C ATOM 208 C SER A 14 8.931 10.271 -5.728 1.00 0.00 C ATOM 209 O SER A 14 9.834 9.937 -4.964 1.00 0.00 O ATOM 210 CB SER A 14 8.474 12.525 -6.714 1.00 0.00 C ATOM 211 OG SER A 14 8.776 13.102 -5.453 1.00 0.00 O ATOM 0 H SER A 14 8.214 11.152 -8.752 1.00 0.00 H new ATOM 0 HA SER A 14 10.288 11.384 -6.944 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.750 13.218 -7.509 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.400 12.360 -6.793 1.00 0.00 H new ATOM 0 HG SER A 14 8.292 13.948 -5.356 1.00 0.00 H new ATOM 217 N ILE A 15 7.675 9.857 -5.584 1.00 0.00 N ATOM 218 CA ILE A 15 7.290 8.970 -4.491 1.00 0.00 C ATOM 219 C ILE A 15 7.971 7.614 -4.617 1.00 0.00 C ATOM 220 O ILE A 15 8.176 6.914 -3.625 1.00 0.00 O ATOM 221 CB ILE A 15 5.761 8.761 -4.431 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.021 10.087 -4.628 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.370 8.128 -3.103 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.274 11.088 -3.525 1.00 0.00 C ATOM 0 H ILE A 15 6.911 10.120 -6.206 1.00 0.00 H new ATOM 0 HA ILE A 15 7.614 9.455 -3.570 1.00 0.00 H new ATOM 0 HB ILE A 15 5.474 8.089 -5.240 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.322 10.524 -5.580 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.951 9.891 -4.691 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.290 7.985 -3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.867 7.163 -3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.673 8.782 -2.285 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.719 12.003 -3.730 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.947 10.671 -2.573 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.339 11.313 -3.476 1.00 0.00 H new ATOM 236 N ARG A 16 8.311 7.247 -5.846 1.00 0.00 N ATOM 237 CA ARG A 16 8.967 5.973 -6.117 1.00 0.00 C ATOM 238 C ARG A 16 10.425 5.989 -5.666 1.00 0.00 C ATOM 239 O ARG A 16 10.885 5.071 -4.986 1.00 0.00 O ATOM 240 CB ARG A 16 8.890 5.651 -7.610 1.00 0.00 C ATOM 241 CG ARG A 16 9.561 4.337 -7.978 1.00 0.00 C ATOM 242 CD ARG A 16 9.702 4.175 -9.481 1.00 0.00 C ATOM 243 NE ARG A 16 11.009 3.632 -9.846 1.00 0.00 N ATOM 244 CZ ARG A 16 11.438 3.510 -11.100 1.00 0.00 C ATOM 245 NH1 ARG A 16 10.671 3.888 -12.113 1.00 0.00 N ATOM 246 NH2 ARG A 16 12.642 3.011 -11.339 1.00 0.00 N ATOM 0 H ARG A 16 8.142 7.817 -6.675 1.00 0.00 H new ATOM 0 HA ARG A 16 8.446 5.202 -5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 16 7.844 5.614 -7.913 1.00 0.00 H new ATOM 0 HB3 ARG A 16 9.356 6.459 -8.173 1.00 0.00 H new ATOM 0 HG2 ARG A 16 10.546 4.290 -7.514 1.00 0.00 H new ATOM 0 HG3 ARG A 16 8.979 3.507 -7.576 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.917 3.515 -9.851 1.00 0.00 H new ATOM 0 HD3 ARG A 16 9.561 5.141 -9.966 1.00 0.00 H new ATOM 0 HE ARG A 16 11.629 3.329 -9.095 1.00 0.00 H new ATOM 0 HH11 ARG A 16 9.745 4.276 -11.934 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.007 3.791 -13.071 1.00 0.00 H new ATOM 0 HH21 ARG A 16 13.237 2.722 -10.563 1.00 0.00 H new ATOM 0 HH22 ARG A 16 12.973 2.916 -12.299 1.00 0.00 H new ATOM 260 N TRP A 17 11.157 7.028 -6.059 1.00 0.00 N ATOM 261 CA TRP A 17 12.569 7.143 -5.706 1.00 0.00 C ATOM 262 C TRP A 17 12.777 7.260 -4.197 1.00 0.00 C ATOM 263 O TRP A 17 13.724 6.696 -3.652 1.00 0.00 O ATOM 264 CB TRP A 17 13.204 8.348 -6.406 1.00 0.00 C ATOM 265 CG TRP A 17 14.685 8.430 -6.194 1.00 0.00 C ATOM 266 CD1 TRP A 17 15.653 7.838 -6.951 1.00 0.00 C ATOM 267 CD2 TRP A 17 15.362 9.138 -5.155 1.00 0.00 C ATOM 268 NE1 TRP A 17 16.895 8.137 -6.444 1.00 0.00 N ATOM 269 CE2 TRP A 17 16.742 8.934 -5.340 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.935 9.927 -4.083 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.697 9.490 -4.494 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.884 10.478 -3.244 1.00 0.00 C ATOM 273 CH2 TRP A 17 17.250 10.258 -3.452 1.00 0.00 C ATOM 0 H TRP A 17 10.797 7.800 -6.620 1.00 0.00 H new ATOM 0 HA TRP A 17 13.055 6.227 -6.043 1.00 0.00 H new ATOM 0 HB2 TRP A 17 12.997 8.292 -7.475 1.00 0.00 H new ATOM 0 HB3 TRP A 17 12.738 9.262 -6.039 1.00 0.00 H new ATOM 0 HD1 TRP A 17 15.470 7.225 -7.821 1.00 0.00 H new ATOM 0 HE1 TRP A 17 17.785 7.818 -6.827 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.883 10.102 -3.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 18.752 9.322 -4.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.566 11.090 -2.413 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.966 10.703 -2.777 1.00 0.00 H new ATOM 284 N VAL A 18 11.908 8.014 -3.531 1.00 0.00 N ATOM 285 CA VAL A 18 12.026 8.220 -2.090 1.00 0.00 C ATOM 286 C VAL A 18 11.777 6.939 -1.305 1.00 0.00 C ATOM 287 O VAL A 18 12.479 6.642 -0.339 1.00 0.00 O ATOM 288 CB VAL A 18 11.053 9.306 -1.575 1.00 0.00 C ATOM 289 CG1 VAL A 18 11.488 9.799 -0.202 1.00 0.00 C ATOM 290 CG2 VAL A 18 10.951 10.473 -2.549 1.00 0.00 C ATOM 0 H VAL A 18 11.117 8.491 -3.963 1.00 0.00 H new ATOM 0 HA VAL A 18 13.052 8.549 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 18 10.064 8.854 -1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.793 10.563 0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.492 8.965 0.500 1.00 0.00 H new ATOM 0 HG13 VAL A 18 12.490 10.223 -0.268 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.259 11.217 -2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.934 10.925 -2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.587 10.113 -3.511 1.00 0.00 H new ATOM 300 N LEU A 19 10.761 6.197 -1.711 1.00 0.00 N ATOM 301 CA LEU A 19 10.398 4.961 -1.029 1.00 0.00 C ATOM 302 C LEU A 19 11.218 3.767 -1.501 1.00 0.00 C ATOM 303 O LEU A 19 11.452 2.834 -0.740 1.00 0.00 O ATOM 304 CB LEU A 19 8.901 4.666 -1.208 1.00 0.00 C ATOM 305 CG LEU A 19 8.166 4.212 0.058 1.00 0.00 C ATOM 306 CD1 LEU A 19 8.719 2.888 0.558 1.00 0.00 C ATOM 307 CD2 LEU A 19 8.267 5.272 1.140 1.00 0.00 C ATOM 0 H LEU A 19 10.171 6.427 -2.510 1.00 0.00 H new ATOM 0 HA LEU A 19 10.619 5.112 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.414 5.564 -1.589 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.788 3.895 -1.970 1.00 0.00 H new ATOM 0 HG LEU A 19 7.114 4.070 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 19 8.182 2.586 1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 19 8.594 2.127 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.778 3.000 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.740 4.933 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.315 5.446 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.819 6.199 0.784 1.00 0.00 H new ATOM 319 N GLU A 20 11.637 3.780 -2.755 1.00 0.00 N ATOM 320 CA GLU A 20 12.405 2.662 -3.295 1.00 0.00 C ATOM 321 C GLU A 20 13.753 2.495 -2.598 1.00 0.00 C ATOM 322 O GLU A 20 14.041 1.446 -2.024 1.00 0.00 O ATOM 323 CB GLU A 20 12.598 2.803 -4.812 1.00 0.00 C ATOM 324 CG GLU A 20 13.630 3.830 -5.244 1.00 0.00 C ATOM 325 CD GLU A 20 13.733 3.947 -6.753 1.00 0.00 C ATOM 326 OE1 GLU A 20 12.691 3.841 -7.429 1.00 0.00 O ATOM 327 OE2 GLU A 20 14.860 4.138 -7.257 1.00 0.00 O ATOM 0 H GLU A 20 11.464 4.539 -3.414 1.00 0.00 H new ATOM 0 HA GLU A 20 11.824 1.761 -3.101 1.00 0.00 H new ATOM 0 HB2 GLU A 20 12.885 1.832 -5.217 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.640 3.065 -5.260 1.00 0.00 H new ATOM 0 HG2 GLU A 20 13.370 4.802 -4.824 1.00 0.00 H new ATOM 0 HG3 GLU A 20 14.603 3.557 -4.836 1.00 0.00 H new ATOM 334 N ARG A 21 14.578 3.524 -2.671 1.00 0.00 N ATOM 335 CA ARG A 21 15.909 3.490 -2.073 1.00 0.00 C ATOM 336 C ARG A 21 15.870 3.109 -0.595 1.00 0.00 C ATOM 337 O ARG A 21 16.581 2.202 -0.163 1.00 0.00 O ATOM 338 CB ARG A 21 16.600 4.842 -2.248 1.00 0.00 C ATOM 339 CG ARG A 21 17.046 5.107 -3.678 1.00 0.00 C ATOM 340 CD ARG A 21 18.557 4.998 -3.823 1.00 0.00 C ATOM 341 NE ARG A 21 19.239 6.178 -3.296 1.00 0.00 N ATOM 342 CZ ARG A 21 20.141 6.150 -2.316 1.00 0.00 C ATOM 343 NH1 ARG A 21 20.492 5.002 -1.747 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.696 7.279 -1.898 1.00 0.00 N ATOM 0 H ARG A 21 14.352 4.401 -3.141 1.00 0.00 H new ATOM 0 HA ARG A 21 16.478 2.719 -2.593 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.920 5.634 -1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.467 4.887 -1.590 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.563 4.395 -4.348 1.00 0.00 H new ATOM 0 HG3 ARG A 21 16.722 6.102 -3.982 1.00 0.00 H new ATOM 0 HD2 ARG A 21 18.909 4.110 -3.298 1.00 0.00 H new ATOM 0 HD3 ARG A 21 18.813 4.870 -4.875 1.00 0.00 H new ATOM 0 HE ARG A 21 19.009 7.083 -3.706 1.00 0.00 H new ATOM 0 HH11 ARG A 21 20.070 4.128 -2.060 1.00 0.00 H new ATOM 0 HH12 ARG A 21 21.184 4.995 -0.998 1.00 0.00 H new ATOM 0 HH21 ARG A 21 20.432 8.166 -2.327 1.00 0.00 H new ATOM 0 HH22 ARG A 21 21.387 7.260 -1.148 1.00 0.00 H new ATOM 358 N ALA A 22 15.056 3.814 0.181 1.00 0.00 N ATOM 359 CA ALA A 22 14.960 3.549 1.612 1.00 0.00 C ATOM 360 C ALA A 22 14.454 2.144 1.904 1.00 0.00 C ATOM 361 O ALA A 22 14.806 1.554 2.924 1.00 0.00 O ATOM 362 CB ALA A 22 14.084 4.590 2.291 1.00 0.00 C ATOM 0 H ALA A 22 14.456 4.569 -0.153 1.00 0.00 H new ATOM 0 HA ALA A 22 15.968 3.617 2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.024 4.375 3.358 1.00 0.00 H new ATOM 0 HB2 ALA A 22 14.515 5.580 2.143 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.084 4.562 1.859 1.00 0.00 H new ATOM 368 N LEU A 23 13.646 1.600 1.008 1.00 0.00 N ATOM 369 CA LEU A 23 13.127 0.251 1.196 1.00 0.00 C ATOM 370 C LEU A 23 14.122 -0.768 0.672 1.00 0.00 C ATOM 371 O LEU A 23 14.225 -1.884 1.189 1.00 0.00 O ATOM 372 CB LEU A 23 11.767 0.068 0.530 1.00 0.00 C ATOM 373 CG LEU A 23 10.662 -0.377 1.486 1.00 0.00 C ATOM 374 CD1 LEU A 23 9.296 -0.231 0.839 1.00 0.00 C ATOM 375 CD2 LEU A 23 10.902 -1.813 1.932 1.00 0.00 C ATOM 0 H LEU A 23 13.337 2.063 0.153 1.00 0.00 H new ATOM 0 HA LEU A 23 12.986 0.094 2.265 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.473 1.008 0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.861 -0.668 -0.268 1.00 0.00 H new ATOM 0 HG LEU A 23 10.683 0.267 2.365 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.525 -0.554 1.539 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.129 0.813 0.572 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.251 -0.847 -0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.108 -2.120 2.613 1.00 0.00 H new ATOM 0 HD22 LEU A 23 10.906 -2.469 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.863 -1.880 2.441 1.00 0.00 H new ATOM 387 N ALA A 24 14.882 -0.367 -0.333 1.00 0.00 N ATOM 388 CA ALA A 24 15.900 -1.234 -0.885 1.00 0.00 C ATOM 389 C ALA A 24 16.958 -1.465 0.180 1.00 0.00 C ATOM 390 O ALA A 24 17.545 -2.543 0.271 1.00 0.00 O ATOM 391 CB ALA A 24 16.507 -0.627 -2.140 1.00 0.00 C ATOM 0 H ALA A 24 14.812 0.548 -0.779 1.00 0.00 H new ATOM 0 HA ALA A 24 15.458 -2.187 -1.175 1.00 0.00 H new ATOM 0 HB1 ALA A 24 17.270 -1.297 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 24 15.727 -0.482 -2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.960 0.334 -1.897 1.00 0.00 H new ATOM 397 N GLY A 25 17.160 -0.448 1.022 1.00 0.00 N ATOM 398 CA GLY A 25 18.106 -0.579 2.104 1.00 0.00 C ATOM 399 C GLY A 25 17.618 -1.607 3.104 1.00 0.00 C ATOM 400 O GLY A 25 18.408 -2.224 3.815 1.00 0.00 O ATOM 0 H GLY A 25 16.686 0.453 0.968 1.00 0.00 H new ATOM 0 HA2 GLY A 25 19.079 -0.875 1.712 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.241 0.384 2.597 1.00 0.00 H new ATOM 404 N ALA A 26 16.297 -1.797 3.137 1.00 0.00 N ATOM 405 CA ALA A 26 15.685 -2.765 4.029 1.00 0.00 C ATOM 406 C ALA A 26 15.863 -4.183 3.487 1.00 0.00 C ATOM 407 O ALA A 26 15.693 -5.160 4.214 1.00 0.00 O ATOM 408 CB ALA A 26 14.210 -2.441 4.241 1.00 0.00 C ATOM 0 H ALA A 26 15.635 -1.288 2.551 1.00 0.00 H new ATOM 0 HA ALA A 26 16.185 -2.709 4.996 1.00 0.00 H new ATOM 0 HB1 ALA A 26 13.769 -3.178 4.912 1.00 0.00 H new ATOM 0 HB2 ALA A 26 14.115 -1.448 4.679 1.00 0.00 H new ATOM 0 HB3 ALA A 26 13.691 -2.466 3.283 1.00 0.00 H new ATOM 414 N GLY A 27 16.233 -4.286 2.207 1.00 0.00 N ATOM 415 CA GLY A 27 16.459 -5.584 1.597 1.00 0.00 C ATOM 416 C GLY A 27 15.250 -6.153 0.872 1.00 0.00 C ATOM 417 O GLY A 27 15.121 -7.371 0.757 1.00 0.00 O ATOM 0 H GLY A 27 16.379 -3.491 1.585 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.286 -5.502 0.891 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.768 -6.287 2.370 1.00 0.00 H new ATOM 421 N LEU A 28 14.350 -5.294 0.390 1.00 0.00 N ATOM 422 CA LEU A 28 13.161 -5.780 -0.302 1.00 0.00 C ATOM 423 C LEU A 28 12.972 -5.143 -1.674 1.00 0.00 C ATOM 424 O LEU A 28 13.532 -4.087 -1.971 1.00 0.00 O ATOM 425 CB LEU A 28 11.925 -5.555 0.561 1.00 0.00 C ATOM 426 CG LEU A 28 12.192 -5.612 2.062 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.508 -4.240 2.606 1.00 0.00 C ATOM 428 CD2 LEU A 28 11.024 -6.252 2.790 1.00 0.00 C ATOM 0 H LEU A 28 14.421 -4.279 0.465 1.00 0.00 H new ATOM 0 HA LEU A 28 13.304 -6.848 -0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 28 11.497 -4.583 0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 28 11.177 -6.306 0.308 1.00 0.00 H new ATOM 0 HG LEU A 28 13.068 -6.237 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.694 -4.308 3.678 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.394 -3.846 2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.664 -3.574 2.426 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.234 -6.283 3.859 1.00 0.00 H new ATOM 0 HD22 LEU A 28 10.121 -5.667 2.615 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.876 -7.266 2.420 1.00 0.00 H new ATOM 440 N THR A 29 12.160 -5.801 -2.504 1.00 0.00 N ATOM 441 CA THR A 29 11.865 -5.317 -3.851 1.00 0.00 C ATOM 442 C THR A 29 10.883 -4.158 -3.783 1.00 0.00 C ATOM 443 O THR A 29 9.756 -4.318 -3.320 1.00 0.00 O ATOM 444 CB THR A 29 11.295 -6.443 -4.719 1.00 0.00 C ATOM 445 OG1 THR A 29 12.236 -7.498 -4.849 1.00 0.00 O ATOM 446 CG2 THR A 29 10.919 -5.986 -6.115 1.00 0.00 C ATOM 0 H THR A 29 11.693 -6.675 -2.263 1.00 0.00 H new ATOM 0 HA THR A 29 12.793 -4.971 -4.306 1.00 0.00 H new ATOM 0 HB THR A 29 10.393 -6.779 -4.208 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.888 -8.172 -5.469 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.522 -6.830 -6.679 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.162 -5.204 -6.050 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.802 -5.595 -6.620 1.00 0.00 H new ATOM 454 N CYS A 30 11.323 -2.988 -4.224 1.00 0.00 N ATOM 455 CA CYS A 30 10.479 -1.801 -4.181 1.00 0.00 C ATOM 456 C CYS A 30 10.064 -1.337 -5.573 1.00 0.00 C ATOM 457 O CYS A 30 10.876 -0.805 -6.329 1.00 0.00 O ATOM 458 CB CYS A 30 11.205 -0.667 -3.453 1.00 0.00 C ATOM 459 SG CYS A 30 12.957 -0.502 -3.880 1.00 0.00 S ATOM 0 H CYS A 30 12.253 -2.835 -4.613 1.00 0.00 H new ATOM 0 HA CYS A 30 9.572 -2.069 -3.639 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.700 0.273 -3.675 1.00 0.00 H new ATOM 0 HB3 CYS A 30 11.119 -0.828 -2.378 1.00 0.00 H new ATOM 0 HG CYS A 30 13.592 0.064 -2.897 1.00 0.00 H new ATOM 465 N THR A 31 8.784 -1.514 -5.893 1.00 0.00 N ATOM 466 CA THR A 31 8.255 -1.082 -7.183 1.00 0.00 C ATOM 467 C THR A 31 6.983 -0.260 -6.960 1.00 0.00 C ATOM 468 O THR A 31 6.163 -0.600 -6.106 1.00 0.00 O ATOM 469 CB THR A 31 7.985 -2.286 -8.105 1.00 0.00 C ATOM 470 OG1 THR A 31 7.946 -1.879 -9.458 1.00 0.00 O ATOM 471 CG2 THR A 31 6.686 -3.007 -7.834 1.00 0.00 C ATOM 0 H THR A 31 8.097 -1.952 -5.279 1.00 0.00 H new ATOM 0 HA THR A 31 8.998 -0.458 -7.680 1.00 0.00 H new ATOM 0 HB THR A 31 8.808 -2.970 -7.898 1.00 0.00 H new ATOM 0 HG1 THR A 31 7.775 -2.657 -10.029 1.00 0.00 H new ATOM 0 HG21 THR A 31 6.580 -3.839 -8.530 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.687 -3.386 -6.812 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.853 -2.317 -7.964 1.00 0.00 H new ATOM 479 N THR A 32 6.829 0.834 -7.700 1.00 0.00 N ATOM 480 CA THR A 32 5.661 1.692 -7.537 1.00 0.00 C ATOM 481 C THR A 32 4.777 1.722 -8.778 1.00 0.00 C ATOM 482 O THR A 32 5.202 1.372 -9.879 1.00 0.00 O ATOM 483 CB THR A 32 6.086 3.108 -7.179 1.00 0.00 C ATOM 484 OG1 THR A 32 6.884 3.668 -8.205 1.00 0.00 O ATOM 485 CG2 THR A 32 6.870 3.179 -5.891 1.00 0.00 C ATOM 0 H THR A 32 7.491 1.145 -8.411 1.00 0.00 H new ATOM 0 HA THR A 32 5.073 1.266 -6.724 1.00 0.00 H new ATOM 0 HB THR A 32 5.160 3.670 -7.056 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.005 3.010 -8.921 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.145 4.214 -5.689 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.259 2.799 -5.072 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.773 2.575 -5.981 1.00 0.00 H new ATOM 493 N PHE A 33 3.532 2.137 -8.569 1.00 0.00 N ATOM 494 CA PHE A 33 2.538 2.217 -9.631 1.00 0.00 C ATOM 495 C PHE A 33 1.752 3.522 -9.553 1.00 0.00 C ATOM 496 O PHE A 33 1.926 4.302 -8.620 1.00 0.00 O ATOM 497 CB PHE A 33 1.579 1.038 -9.554 1.00 0.00 C ATOM 498 CG PHE A 33 2.255 -0.304 -9.468 1.00 0.00 C ATOM 499 CD1 PHE A 33 3.050 -0.623 -8.383 1.00 0.00 C ATOM 500 CD2 PHE A 33 2.098 -1.241 -10.474 1.00 0.00 C ATOM 501 CE1 PHE A 33 3.676 -1.851 -8.301 1.00 0.00 C ATOM 502 CE2 PHE A 33 2.719 -2.470 -10.401 1.00 0.00 C ATOM 503 CZ PHE A 33 3.510 -2.779 -9.313 1.00 0.00 C ATOM 0 H PHE A 33 3.184 2.428 -7.655 1.00 0.00 H new ATOM 0 HA PHE A 33 3.069 2.187 -10.583 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.935 1.164 -8.683 1.00 0.00 H new ATOM 0 HB3 PHE A 33 0.934 1.051 -10.432 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.183 0.097 -7.589 1.00 0.00 H new ATOM 0 HD2 PHE A 33 1.480 -1.006 -11.328 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.295 -2.087 -7.448 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.587 -3.190 -11.195 1.00 0.00 H new ATOM 0 HZ PHE A 33 3.997 -3.741 -9.252 1.00 0.00 H new ATOM 513 N GLU A 34 0.901 3.760 -10.551 1.00 0.00 N ATOM 514 CA GLU A 34 0.099 4.975 -10.620 1.00 0.00 C ATOM 515 C GLU A 34 -0.869 5.094 -9.428 1.00 0.00 C ATOM 516 O GLU A 34 -0.445 5.413 -8.317 1.00 0.00 O ATOM 517 CB GLU A 34 -0.666 4.980 -11.953 1.00 0.00 C ATOM 518 CG GLU A 34 -1.356 3.657 -12.267 1.00 0.00 C ATOM 519 CD GLU A 34 -2.821 3.805 -12.632 1.00 0.00 C ATOM 520 OE1 GLU A 34 -3.188 4.844 -13.220 1.00 0.00 O ATOM 521 OE2 GLU A 34 -3.602 2.874 -12.325 1.00 0.00 O ATOM 0 H GLU A 34 0.751 3.118 -11.329 1.00 0.00 H new ATOM 0 HA GLU A 34 0.760 5.840 -10.567 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.413 5.773 -11.930 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.028 5.219 -12.759 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.833 3.171 -13.091 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.271 2.999 -11.402 1.00 0.00 H new ATOM 528 N ASN A 35 -2.160 4.856 -9.653 1.00 0.00 N ATOM 529 CA ASN A 35 -3.154 4.957 -8.596 1.00 0.00 C ATOM 530 C ASN A 35 -3.271 3.656 -7.825 1.00 0.00 C ATOM 531 O ASN A 35 -2.853 3.556 -6.671 1.00 0.00 O ATOM 532 CB ASN A 35 -4.522 5.330 -9.182 1.00 0.00 C ATOM 533 CG ASN A 35 -4.628 6.799 -9.545 1.00 0.00 C ATOM 534 OD1 ASN A 35 -4.366 7.193 -10.681 1.00 0.00 O ATOM 535 ND2 ASN A 35 -5.023 7.615 -8.576 1.00 0.00 N ATOM 0 H ASN A 35 -2.539 4.591 -10.562 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.828 5.739 -7.910 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.707 4.727 -10.071 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.301 5.082 -8.460 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.120 8.614 -8.758 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.229 7.243 -7.649 1.00 0.00 H new ATOM 542 N GLY A 36 -3.852 2.666 -8.477 1.00 0.00 N ATOM 543 CA GLY A 36 -4.035 1.369 -7.859 1.00 0.00 C ATOM 544 C GLY A 36 -4.252 0.267 -8.875 1.00 0.00 C ATOM 545 O GLY A 36 -3.724 -0.834 -8.723 1.00 0.00 O ATOM 0 H GLY A 36 -4.204 2.736 -9.432 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.161 1.133 -7.253 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.890 1.409 -7.184 1.00 0.00 H new ATOM 549 N ASN A 37 -5.034 0.557 -9.914 1.00 0.00 N ATOM 550 CA ASN A 37 -5.319 -0.432 -10.952 1.00 0.00 C ATOM 551 C ASN A 37 -4.034 -1.033 -11.507 1.00 0.00 C ATOM 552 O ASN A 37 -4.011 -2.191 -11.928 1.00 0.00 O ATOM 553 CB ASN A 37 -6.156 0.183 -12.075 1.00 0.00 C ATOM 554 CG ASN A 37 -7.642 0.156 -11.753 1.00 0.00 C ATOM 555 OD1 ASN A 37 -8.176 -1.036 -11.480 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -8.303 1.192 -11.750 1.00 0.00 N flip ATOM 0 H ASN A 37 -5.479 1.463 -10.059 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.896 -1.236 -10.496 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.839 1.212 -12.242 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -5.975 -0.361 -13.002 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.855 2.083 -11.964 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.299 1.161 -11.533 1.00 0.00 H new ATOM 563 N GLU A 38 -2.970 -0.243 -11.494 1.00 0.00 N ATOM 564 CA GLU A 38 -1.678 -0.698 -11.986 1.00 0.00 C ATOM 565 C GLU A 38 -1.192 -1.930 -11.222 1.00 0.00 C ATOM 566 O GLU A 38 -0.935 -2.971 -11.824 1.00 0.00 O ATOM 567 CB GLU A 38 -0.648 0.420 -11.877 1.00 0.00 C ATOM 568 CG GLU A 38 0.020 0.782 -13.196 1.00 0.00 C ATOM 569 CD GLU A 38 1.381 0.135 -13.363 1.00 0.00 C ATOM 570 OE1 GLU A 38 1.430 -1.054 -13.736 1.00 0.00 O ATOM 571 OE2 GLU A 38 2.398 0.817 -13.115 1.00 0.00 O ATOM 0 H GLU A 38 -2.976 0.716 -11.148 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.800 -0.975 -13.033 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.133 1.308 -11.472 1.00 0.00 H new ATOM 0 HB3 GLU A 38 0.120 0.123 -11.163 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -0.625 0.478 -14.020 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.128 1.865 -13.258 1.00 0.00 H new ATOM 578 N VAL A 39 -1.053 -1.820 -9.893 1.00 0.00 N ATOM 579 CA VAL A 39 -0.579 -2.958 -9.105 1.00 0.00 C ATOM 580 C VAL A 39 -1.434 -4.194 -9.349 1.00 0.00 C ATOM 581 O VAL A 39 -0.913 -5.296 -9.498 1.00 0.00 O ATOM 582 CB VAL A 39 -0.564 -2.678 -7.591 1.00 0.00 C ATOM 583 CG1 VAL A 39 0.245 -3.740 -6.867 1.00 0.00 C ATOM 584 CG2 VAL A 39 -0.011 -1.300 -7.286 1.00 0.00 C ATOM 0 H VAL A 39 -1.257 -0.977 -9.356 1.00 0.00 H new ATOM 0 HA VAL A 39 0.445 -3.131 -9.437 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.594 -2.710 -7.237 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.247 -3.530 -5.798 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.200 -4.719 -7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.269 -3.734 -7.240 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.015 -1.137 -6.208 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.010 -1.227 -7.660 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.630 -0.544 -7.770 1.00 0.00 H new ATOM 594 N LEU A 40 -2.749 -4.009 -9.382 1.00 0.00 N ATOM 595 CA LEU A 40 -3.661 -5.127 -9.603 1.00 0.00 C ATOM 596 C LEU A 40 -3.278 -5.889 -10.868 1.00 0.00 C ATOM 597 O LEU A 40 -3.163 -7.114 -10.859 1.00 0.00 O ATOM 598 CB LEU A 40 -5.114 -4.652 -9.707 1.00 0.00 C ATOM 599 CG LEU A 40 -5.521 -3.513 -8.762 1.00 0.00 C ATOM 600 CD1 LEU A 40 -6.865 -2.948 -9.170 1.00 0.00 C ATOM 601 CD2 LEU A 40 -5.582 -3.994 -7.321 1.00 0.00 C ATOM 0 H LEU A 40 -3.205 -3.105 -9.260 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.577 -5.792 -8.743 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.297 -4.329 -10.732 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.768 -5.504 -9.519 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.765 -2.731 -8.833 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.142 -2.141 -8.491 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.804 -2.562 -10.187 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.619 -3.734 -9.125 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.873 -3.167 -6.673 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.315 -4.796 -7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.602 -4.364 -7.019 1.00 0.00 H new ATOM 613 N ALA A 41 -3.074 -5.148 -11.954 1.00 0.00 N ATOM 614 CA ALA A 41 -2.697 -5.751 -13.226 1.00 0.00 C ATOM 615 C ALA A 41 -1.427 -6.574 -13.083 1.00 0.00 C ATOM 616 O ALA A 41 -1.366 -7.732 -13.497 1.00 0.00 O ATOM 617 CB ALA A 41 -2.518 -4.679 -14.288 1.00 0.00 C ATOM 0 H ALA A 41 -3.163 -4.132 -11.977 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.500 -6.419 -13.536 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.237 -5.146 -15.232 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -3.454 -4.135 -14.417 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.735 -3.987 -13.978 1.00 0.00 H new ATOM 623 N ALA A 42 -0.419 -5.961 -12.483 1.00 0.00 N ATOM 624 CA ALA A 42 0.865 -6.615 -12.260 1.00 0.00 C ATOM 625 C ALA A 42 0.729 -7.745 -11.247 1.00 0.00 C ATOM 626 O ALA A 42 1.489 -8.713 -11.272 1.00 0.00 O ATOM 627 CB ALA A 42 1.906 -5.602 -11.789 1.00 0.00 C ATOM 0 H ALA A 42 -0.465 -5.002 -12.138 1.00 0.00 H new ATOM 0 HA ALA A 42 1.197 -7.042 -13.206 1.00 0.00 H new ATOM 0 HB1 ALA A 42 2.858 -6.107 -11.627 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.030 -4.828 -12.547 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.574 -5.146 -10.856 1.00 0.00 H new ATOM 633 N LEU A 43 -0.242 -7.606 -10.350 1.00 0.00 N ATOM 634 CA LEU A 43 -0.482 -8.602 -9.317 1.00 0.00 C ATOM 635 C LEU A 43 -1.042 -9.891 -9.900 1.00 0.00 C ATOM 636 O LEU A 43 -0.874 -10.969 -9.329 1.00 0.00 O ATOM 637 CB LEU A 43 -1.443 -8.045 -8.270 1.00 0.00 C ATOM 638 CG LEU A 43 -0.778 -7.212 -7.179 1.00 0.00 C ATOM 639 CD1 LEU A 43 -1.739 -6.162 -6.649 1.00 0.00 C ATOM 640 CD2 LEU A 43 -0.289 -8.114 -6.059 1.00 0.00 C ATOM 0 H LEU A 43 -0.877 -6.808 -10.320 1.00 0.00 H new ATOM 0 HA LEU A 43 0.475 -8.834 -8.849 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.191 -7.432 -8.772 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.973 -8.876 -7.803 1.00 0.00 H new ATOM 0 HG LEU A 43 0.082 -6.696 -7.606 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.247 -5.578 -5.872 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.042 -5.502 -7.462 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.619 -6.652 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.184 -7.509 -5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.134 -8.654 -5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.434 -8.827 -6.455 1.00 0.00 H new ATOM 652 N ALA A 44 -1.709 -9.773 -11.038 1.00 0.00 N ATOM 653 CA ALA A 44 -2.298 -10.928 -11.698 1.00 0.00 C ATOM 654 C ALA A 44 -1.259 -12.016 -11.958 1.00 0.00 C ATOM 655 O ALA A 44 -1.604 -13.178 -12.167 1.00 0.00 O ATOM 656 CB ALA A 44 -2.956 -10.510 -13.005 1.00 0.00 C ATOM 0 H ALA A 44 -1.856 -8.888 -11.524 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.055 -11.341 -11.031 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.393 -11.384 -13.488 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.739 -9.779 -12.801 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.209 -10.067 -13.663 1.00 0.00 H new ATOM 662 N SER A 45 0.015 -11.630 -11.954 1.00 0.00 N ATOM 663 CA SER A 45 1.098 -12.567 -12.200 1.00 0.00 C ATOM 664 C SER A 45 2.141 -12.552 -11.080 1.00 0.00 C ATOM 665 O SER A 45 3.122 -13.295 -11.134 1.00 0.00 O ATOM 666 CB SER A 45 1.769 -12.260 -13.540 1.00 0.00 C ATOM 667 OG SER A 45 2.929 -13.052 -13.720 1.00 0.00 O ATOM 0 H SER A 45 0.319 -10.671 -11.782 1.00 0.00 H new ATOM 0 HA SER A 45 0.661 -13.565 -12.229 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.067 -12.446 -14.353 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.035 -11.204 -13.584 1.00 0.00 H new ATOM 0 HG SER A 45 3.184 -13.458 -12.865 1.00 0.00 H new ATOM 673 N LYS A 46 1.935 -11.712 -10.066 1.00 0.00 N ATOM 674 CA LYS A 46 2.868 -11.626 -8.953 1.00 0.00 C ATOM 675 C LYS A 46 2.160 -11.131 -7.697 1.00 0.00 C ATOM 676 O LYS A 46 1.130 -10.466 -7.777 1.00 0.00 O ATOM 677 CB LYS A 46 4.039 -10.701 -9.298 1.00 0.00 C ATOM 678 CG LYS A 46 5.405 -11.311 -9.016 1.00 0.00 C ATOM 679 CD LYS A 46 6.210 -10.459 -8.046 1.00 0.00 C ATOM 680 CE LYS A 46 7.682 -10.415 -8.426 1.00 0.00 C ATOM 681 NZ LYS A 46 8.508 -11.304 -7.562 1.00 0.00 N ATOM 0 H LYS A 46 1.133 -11.086 -9.996 1.00 0.00 H new ATOM 0 HA LYS A 46 3.260 -12.625 -8.762 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.981 -10.434 -10.353 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.940 -9.776 -8.730 1.00 0.00 H new ATOM 0 HG2 LYS A 46 5.279 -12.312 -8.603 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.956 -11.418 -9.950 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.808 -9.446 -8.030 1.00 0.00 H new ATOM 0 HD3 LYS A 46 6.106 -10.859 -7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 46 7.797 -10.714 -9.468 1.00 0.00 H new ATOM 0 HE3 LYS A 46 8.047 -9.391 -8.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 9.279 -11.717 -8.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 8.910 -10.751 -6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 7.913 -12.066 -7.178 1.00 0.00 H new ATOM 695 N THR A 47 2.713 -11.466 -6.539 1.00 0.00 N ATOM 696 CA THR A 47 2.129 -11.053 -5.276 1.00 0.00 C ATOM 697 C THR A 47 3.212 -10.608 -4.290 1.00 0.00 C ATOM 698 O THR A 47 4.002 -11.427 -3.822 1.00 0.00 O ATOM 699 CB THR A 47 1.309 -12.202 -4.683 1.00 0.00 C ATOM 700 OG1 THR A 47 0.198 -12.501 -5.514 1.00 0.00 O ATOM 701 CG2 THR A 47 0.777 -11.913 -3.294 1.00 0.00 C ATOM 0 H THR A 47 3.564 -12.022 -6.451 1.00 0.00 H new ATOM 0 HA THR A 47 1.473 -10.202 -5.460 1.00 0.00 H new ATOM 0 HB THR A 47 1.998 -13.044 -4.618 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.315 -13.238 -5.122 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.206 -12.770 -2.937 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.610 -11.725 -2.617 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.131 -11.036 -3.327 1.00 0.00 H new ATOM 709 N PRO A 48 3.258 -9.305 -3.948 1.00 0.00 N ATOM 710 CA PRO A 48 4.245 -8.786 -3.004 1.00 0.00 C ATOM 711 C PRO A 48 3.861 -9.103 -1.563 1.00 0.00 C ATOM 712 O PRO A 48 2.708 -9.418 -1.281 1.00 0.00 O ATOM 713 CB PRO A 48 4.220 -7.280 -3.252 1.00 0.00 C ATOM 714 CG PRO A 48 2.851 -6.990 -3.771 1.00 0.00 C ATOM 715 CD PRO A 48 2.357 -8.246 -4.446 1.00 0.00 C ATOM 0 HA PRO A 48 5.231 -9.228 -3.147 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.418 -6.727 -2.334 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.984 -6.987 -3.972 1.00 0.00 H new ATOM 0 HG2 PRO A 48 2.184 -6.702 -2.958 1.00 0.00 H new ATOM 0 HG3 PRO A 48 2.874 -6.158 -4.475 1.00 0.00 H new ATOM 0 HD2 PRO A 48 1.318 -8.454 -4.189 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.406 -8.160 -5.532 1.00 0.00 H new ATOM 723 N ASP A 49 4.823 -9.026 -0.652 1.00 0.00 N ATOM 724 CA ASP A 49 4.547 -9.318 0.751 1.00 0.00 C ATOM 725 C ASP A 49 3.754 -8.188 1.404 1.00 0.00 C ATOM 726 O ASP A 49 3.068 -8.401 2.403 1.00 0.00 O ATOM 727 CB ASP A 49 5.847 -9.568 1.517 1.00 0.00 C ATOM 728 CG ASP A 49 6.598 -10.778 0.997 1.00 0.00 C ATOM 729 OD1 ASP A 49 6.329 -11.898 1.481 1.00 0.00 O ATOM 730 OD2 ASP A 49 7.457 -10.605 0.106 1.00 0.00 O ATOM 0 H ASP A 49 5.789 -8.768 -0.854 1.00 0.00 H new ATOM 0 HA ASP A 49 3.941 -10.223 0.789 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.485 -8.687 1.442 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.622 -9.710 2.574 1.00 0.00 H new ATOM 735 N VAL A 50 3.857 -6.985 0.840 1.00 0.00 N ATOM 736 CA VAL A 50 3.150 -5.830 1.381 1.00 0.00 C ATOM 737 C VAL A 50 2.701 -4.889 0.259 1.00 0.00 C ATOM 738 O VAL A 50 3.131 -5.034 -0.886 1.00 0.00 O ATOM 739 CB VAL A 50 4.056 -5.076 2.366 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.317 -4.616 1.659 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.324 -3.910 3.007 1.00 0.00 C ATOM 0 H VAL A 50 4.421 -6.788 0.013 1.00 0.00 H new ATOM 0 HA VAL A 50 2.263 -6.185 1.906 1.00 0.00 H new ATOM 0 HB VAL A 50 4.338 -5.756 3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.955 -4.082 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.852 -5.482 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.051 -3.953 0.836 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.992 -3.397 3.699 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.999 -3.215 2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.455 -4.280 3.550 1.00 0.00 H new ATOM 751 N LEU A 51 1.824 -3.933 0.581 1.00 0.00 N ATOM 752 CA LEU A 51 1.321 -2.991 -0.421 1.00 0.00 C ATOM 753 C LEU A 51 0.908 -1.657 0.208 1.00 0.00 C ATOM 754 O LEU A 51 0.176 -1.622 1.198 1.00 0.00 O ATOM 755 CB LEU A 51 0.131 -3.610 -1.165 1.00 0.00 C ATOM 756 CG LEU A 51 -0.086 -3.107 -2.597 1.00 0.00 C ATOM 757 CD1 LEU A 51 1.177 -3.290 -3.426 1.00 0.00 C ATOM 758 CD2 LEU A 51 -1.260 -3.832 -3.240 1.00 0.00 C ATOM 0 H LEU A 51 1.451 -3.792 1.520 1.00 0.00 H new ATOM 0 HA LEU A 51 2.129 -2.788 -1.123 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.266 -4.691 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.775 -3.418 -0.590 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.317 -2.042 -2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 51 1.003 -2.927 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.994 -2.727 -2.974 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.440 -4.347 -3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.402 -3.464 -4.256 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.056 -4.902 -3.266 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.163 -3.649 -2.658 1.00 0.00 H new ATOM 770 N LEU A 52 1.384 -0.562 -0.386 1.00 0.00 N ATOM 771 CA LEU A 52 1.075 0.788 0.091 1.00 0.00 C ATOM 772 C LEU A 52 0.232 1.535 -0.944 1.00 0.00 C ATOM 773 O LEU A 52 0.600 1.598 -2.115 1.00 0.00 O ATOM 774 CB LEU A 52 2.373 1.566 0.348 1.00 0.00 C ATOM 775 CG LEU A 52 2.466 2.307 1.686 1.00 0.00 C ATOM 776 CD1 LEU A 52 3.916 2.655 1.991 1.00 0.00 C ATOM 777 CD2 LEU A 52 1.611 3.569 1.668 1.00 0.00 C ATOM 0 H LEU A 52 1.991 -0.584 -1.206 1.00 0.00 H new ATOM 0 HA LEU A 52 0.512 0.706 1.021 1.00 0.00 H new ATOM 0 HB2 LEU A 52 3.208 0.869 0.284 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.502 2.292 -0.455 1.00 0.00 H new ATOM 0 HG LEU A 52 2.087 1.651 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.971 3.181 2.944 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.506 1.740 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.311 3.293 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.693 4.078 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.958 4.232 0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.570 3.301 1.487 1.00 0.00 H new ATOM 789 N SER A 53 -0.895 2.100 -0.517 1.00 0.00 N ATOM 790 CA SER A 53 -1.769 2.835 -1.431 1.00 0.00 C ATOM 791 C SER A 53 -1.658 4.344 -1.211 1.00 0.00 C ATOM 792 O SER A 53 -1.677 4.819 -0.076 1.00 0.00 O ATOM 793 CB SER A 53 -3.219 2.386 -1.253 1.00 0.00 C ATOM 794 OG SER A 53 -3.442 1.131 -1.874 1.00 0.00 O ATOM 0 H SER A 53 -1.224 2.064 0.448 1.00 0.00 H new ATOM 0 HA SER A 53 -1.448 2.616 -2.449 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.454 2.317 -0.191 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.889 3.132 -1.680 1.00 0.00 H new ATOM 0 HG SER A 53 -4.376 0.864 -1.745 1.00 0.00 H new ATOM 800 N ASP A 54 -1.540 5.092 -2.309 1.00 0.00 N ATOM 801 CA ASP A 54 -1.418 6.549 -2.237 1.00 0.00 C ATOM 802 C ASP A 54 -2.736 7.205 -1.857 1.00 0.00 C ATOM 803 O ASP A 54 -2.750 8.266 -1.232 1.00 0.00 O ATOM 804 CB ASP A 54 -0.933 7.112 -3.567 1.00 0.00 C ATOM 805 CG ASP A 54 -1.866 6.775 -4.716 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.213 5.584 -4.869 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.248 7.700 -5.462 1.00 0.00 O ATOM 0 H ASP A 54 -1.526 4.714 -3.256 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.688 6.774 -1.460 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.838 8.195 -3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 54 0.061 6.720 -3.783 1.00 0.00 H new ATOM 812 N ILE A 55 -3.836 6.568 -2.235 1.00 0.00 N ATOM 813 CA ILE A 55 -5.174 7.073 -1.933 1.00 0.00 C ATOM 814 C ILE A 55 -5.315 8.559 -2.307 1.00 0.00 C ATOM 815 O ILE A 55 -4.912 9.443 -1.554 1.00 0.00 O ATOM 816 CB ILE A 55 -5.504 6.826 -0.433 1.00 0.00 C ATOM 817 CG1 ILE A 55 -6.976 7.105 -0.105 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.598 7.628 0.486 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.304 8.567 0.115 1.00 0.00 C ATOM 0 H ILE A 55 -3.830 5.692 -2.757 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.896 6.528 -2.541 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.319 5.767 -0.255 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.595 6.725 -0.918 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.248 6.546 0.790 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.862 7.426 1.524 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.560 7.343 0.314 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.721 8.691 0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.365 8.672 0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.716 8.950 0.949 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.068 9.133 -0.786 1.00 0.00 H new ATOM 831 N ARG A 56 -5.874 8.824 -3.492 1.00 0.00 N ATOM 832 CA ARG A 56 -6.046 10.202 -3.960 1.00 0.00 C ATOM 833 C ARG A 56 -7.155 10.326 -5.015 1.00 0.00 C ATOM 834 O ARG A 56 -6.923 10.823 -6.116 1.00 0.00 O ATOM 835 CB ARG A 56 -4.726 10.733 -4.526 1.00 0.00 C ATOM 836 CG ARG A 56 -4.702 12.245 -4.703 1.00 0.00 C ATOM 837 CD ARG A 56 -4.791 12.964 -3.367 1.00 0.00 C ATOM 838 NE ARG A 56 -4.767 14.417 -3.518 1.00 0.00 N ATOM 839 CZ ARG A 56 -5.856 15.168 -3.665 1.00 0.00 C ATOM 840 NH1 ARG A 56 -7.062 14.612 -3.703 1.00 0.00 N ATOM 841 NH2 ARG A 56 -5.739 16.483 -3.780 1.00 0.00 N ATOM 0 H ARG A 56 -6.212 8.111 -4.138 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.346 10.800 -3.100 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.912 10.440 -3.862 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.537 10.260 -5.490 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.785 12.538 -5.215 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.533 12.551 -5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.709 12.669 -2.858 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -3.961 12.653 -2.733 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.860 14.884 -3.510 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.160 13.600 -3.619 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.890 15.197 -3.816 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.816 16.917 -3.756 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -6.572 17.061 -3.893 1.00 0.00 H new ATOM 855 N MET A 57 -8.363 9.900 -4.654 1.00 0.00 N ATOM 856 CA MET A 57 -9.528 9.986 -5.546 1.00 0.00 C ATOM 857 C MET A 57 -9.365 9.185 -6.845 1.00 0.00 C ATOM 858 O MET A 57 -9.684 9.681 -7.927 1.00 0.00 O ATOM 859 CB MET A 57 -9.831 11.445 -5.884 1.00 0.00 C ATOM 860 CG MET A 57 -11.311 11.712 -6.114 1.00 0.00 C ATOM 861 SD MET A 57 -12.136 12.366 -4.650 1.00 0.00 S ATOM 862 CE MET A 57 -13.333 13.470 -5.399 1.00 0.00 C ATOM 0 H MET A 57 -8.566 9.488 -3.743 1.00 0.00 H new ATOM 0 HA MET A 57 -10.360 9.542 -4.999 1.00 0.00 H new ATOM 0 HB2 MET A 57 -9.476 12.080 -5.073 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.274 11.727 -6.778 1.00 0.00 H new ATOM 0 HG2 MET A 57 -11.425 12.418 -6.936 1.00 0.00 H new ATOM 0 HG3 MET A 57 -11.800 10.787 -6.419 1.00 0.00 H new ATOM 0 HE1 MET A 57 -13.922 13.951 -4.618 1.00 0.00 H new ATOM 0 HE2 MET A 57 -12.812 14.230 -5.981 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.993 12.901 -6.053 1.00 0.00 H new ATOM 872 N PRO A 58 -8.901 7.929 -6.763 1.00 0.00 N ATOM 873 CA PRO A 58 -8.740 7.072 -7.940 1.00 0.00 C ATOM 874 C PRO A 58 -10.093 6.644 -8.512 1.00 0.00 C ATOM 875 O PRO A 58 -10.538 7.165 -9.534 1.00 0.00 O ATOM 876 CB PRO A 58 -7.968 5.865 -7.403 1.00 0.00 C ATOM 877 CG PRO A 58 -8.256 5.835 -5.940 1.00 0.00 C ATOM 878 CD PRO A 58 -8.524 7.252 -5.521 1.00 0.00 C ATOM 0 HA PRO A 58 -8.227 7.578 -8.758 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.292 4.944 -7.887 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.899 5.966 -7.592 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.116 5.200 -5.728 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.412 5.422 -5.388 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.323 7.304 -4.781 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.642 7.708 -5.071 1.00 0.00 H new ATOM 886 N GLY A 59 -10.748 5.701 -7.838 1.00 0.00 N ATOM 887 CA GLY A 59 -12.047 5.227 -8.278 1.00 0.00 C ATOM 888 C GLY A 59 -13.127 5.473 -7.239 1.00 0.00 C ATOM 889 O GLY A 59 -14.314 5.510 -7.562 1.00 0.00 O ATOM 0 H GLY A 59 -10.398 5.255 -6.990 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -12.319 5.727 -9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -11.989 4.160 -8.494 1.00 0.00 H new ATOM 893 N MET A 60 -12.709 5.647 -5.990 1.00 0.00 N ATOM 894 CA MET A 60 -13.632 5.897 -4.892 1.00 0.00 C ATOM 895 C MET A 60 -12.894 6.533 -3.719 1.00 0.00 C ATOM 896 O MET A 60 -12.728 5.915 -2.661 1.00 0.00 O ATOM 897 CB MET A 60 -14.309 4.599 -4.446 1.00 0.00 C ATOM 898 CG MET A 60 -15.706 4.801 -3.876 1.00 0.00 C ATOM 899 SD MET A 60 -16.895 3.602 -4.512 1.00 0.00 S ATOM 900 CE MET A 60 -18.303 4.658 -4.844 1.00 0.00 C ATOM 0 H MET A 60 -11.728 5.619 -5.713 1.00 0.00 H new ATOM 0 HA MET A 60 -14.402 6.584 -5.242 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.368 3.920 -5.296 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.686 4.115 -3.694 1.00 0.00 H new ATOM 0 HG2 MET A 60 -15.665 4.726 -2.789 1.00 0.00 H new ATOM 0 HG3 MET A 60 -16.049 5.808 -4.113 1.00 0.00 H new ATOM 0 HE1 MET A 60 -19.121 4.059 -5.243 1.00 0.00 H new ATOM 0 HE2 MET A 60 -18.623 5.139 -3.920 1.00 0.00 H new ATOM 0 HE3 MET A 60 -18.023 5.420 -5.571 1.00 0.00 H new ATOM 910 N ASP A 61 -12.444 7.771 -3.926 1.00 0.00 N ATOM 911 CA ASP A 61 -11.718 8.534 -2.907 1.00 0.00 C ATOM 912 C ASP A 61 -10.297 8.016 -2.698 1.00 0.00 C ATOM 913 O ASP A 61 -9.393 8.777 -2.353 1.00 0.00 O ATOM 914 CB ASP A 61 -12.484 8.500 -1.586 1.00 0.00 C ATOM 915 CG ASP A 61 -12.938 9.877 -1.144 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.126 10.823 -1.221 1.00 0.00 O ATOM 917 OD2 ASP A 61 -14.106 10.010 -0.721 1.00 0.00 O ATOM 0 H ASP A 61 -12.572 8.274 -4.804 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.641 9.561 -3.264 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.353 7.850 -1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.851 8.064 -0.813 1.00 0.00 H new ATOM 922 N GLY A 62 -10.111 6.721 -2.896 1.00 0.00 N ATOM 923 CA GLY A 62 -8.812 6.113 -2.710 1.00 0.00 C ATOM 924 C GLY A 62 -8.942 4.762 -2.064 1.00 0.00 C ATOM 925 O GLY A 62 -8.085 3.894 -2.224 1.00 0.00 O ATOM 0 H GLY A 62 -10.845 6.075 -3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.311 6.014 -3.673 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.189 6.758 -2.091 1.00 0.00 H new ATOM 929 N LEU A 63 -10.040 4.580 -1.351 1.00 0.00 N ATOM 930 CA LEU A 63 -10.311 3.325 -0.700 1.00 0.00 C ATOM 931 C LEU A 63 -10.735 2.295 -1.742 1.00 0.00 C ATOM 932 O LEU A 63 -10.587 1.091 -1.538 1.00 0.00 O ATOM 933 CB LEU A 63 -11.393 3.504 0.358 1.00 0.00 C ATOM 934 CG LEU A 63 -11.163 4.662 1.331 1.00 0.00 C ATOM 935 CD1 LEU A 63 -11.797 5.939 0.804 1.00 0.00 C ATOM 936 CD2 LEU A 63 -11.712 4.314 2.703 1.00 0.00 C ATOM 0 H LEU A 63 -10.756 5.293 -1.212 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.408 2.971 -0.202 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.349 3.656 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.477 2.580 0.930 1.00 0.00 H new ATOM 0 HG LEU A 63 -10.090 4.831 1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.622 6.750 1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.354 6.194 -0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -12.870 5.789 0.682 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.541 5.147 3.385 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -12.782 4.119 2.628 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.207 3.425 3.082 1.00 0.00 H new ATOM 948 N ALA A 64 -11.247 2.786 -2.876 1.00 0.00 N ATOM 949 CA ALA A 64 -11.667 1.911 -3.966 1.00 0.00 C ATOM 950 C ALA A 64 -10.530 0.980 -4.364 1.00 0.00 C ATOM 951 O ALA A 64 -10.756 -0.146 -4.808 1.00 0.00 O ATOM 952 CB ALA A 64 -12.111 2.737 -5.164 1.00 0.00 C ATOM 0 H ALA A 64 -11.378 3.781 -3.059 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.509 1.309 -3.624 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.422 2.072 -5.970 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -12.947 3.374 -4.877 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.282 3.358 -5.505 1.00 0.00 H new ATOM 958 N LEU A 65 -9.303 1.459 -4.188 1.00 0.00 N ATOM 959 CA LEU A 65 -8.120 0.672 -4.513 1.00 0.00 C ATOM 960 C LEU A 65 -8.117 -0.624 -3.718 1.00 0.00 C ATOM 961 O LEU A 65 -7.776 -1.688 -4.234 1.00 0.00 O ATOM 962 CB LEU A 65 -6.848 1.465 -4.209 1.00 0.00 C ATOM 963 CG LEU A 65 -6.872 2.934 -4.639 1.00 0.00 C ATOM 964 CD1 LEU A 65 -5.745 3.708 -3.969 1.00 0.00 C ATOM 965 CD2 LEU A 65 -6.782 3.044 -6.155 1.00 0.00 C ATOM 0 H LEU A 65 -9.102 2.390 -3.822 1.00 0.00 H new ATOM 0 HA LEU A 65 -8.145 0.440 -5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.660 1.421 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -6.008 0.974 -4.700 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.817 3.374 -4.320 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.779 4.750 -4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.861 3.656 -2.886 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.786 3.273 -4.253 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.800 4.094 -6.445 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.853 2.589 -6.498 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.628 2.528 -6.608 1.00 0.00 H new ATOM 977 N LEU A 66 -8.512 -0.519 -2.456 1.00 0.00 N ATOM 978 CA LEU A 66 -8.574 -1.671 -1.571 1.00 0.00 C ATOM 979 C LEU A 66 -9.598 -2.676 -2.082 1.00 0.00 C ATOM 980 O LEU A 66 -9.352 -3.883 -2.083 1.00 0.00 O ATOM 981 CB LEU A 66 -8.927 -1.215 -0.159 1.00 0.00 C ATOM 982 CG LEU A 66 -7.985 -0.156 0.414 1.00 0.00 C ATOM 983 CD1 LEU A 66 -8.593 0.498 1.640 1.00 0.00 C ATOM 984 CD2 LEU A 66 -6.634 -0.770 0.749 1.00 0.00 C ATOM 0 H LEU A 66 -8.796 0.359 -2.022 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.600 -2.159 -1.550 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.942 -0.818 -0.161 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.925 -2.082 0.501 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.836 0.614 -0.343 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.905 1.248 2.031 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.535 0.975 1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.776 -0.259 2.403 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.976 -0.002 1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.767 -1.562 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.190 -1.187 -0.155 1.00 0.00 H new ATOM 996 N LYS A 67 -10.743 -2.167 -2.533 1.00 0.00 N ATOM 997 CA LYS A 67 -11.804 -3.018 -3.070 1.00 0.00 C ATOM 998 C LYS A 67 -11.247 -3.928 -4.158 1.00 0.00 C ATOM 999 O LYS A 67 -11.581 -5.106 -4.232 1.00 0.00 O ATOM 1000 CB LYS A 67 -12.936 -2.173 -3.648 1.00 0.00 C ATOM 1001 CG LYS A 67 -13.659 -1.326 -2.614 1.00 0.00 C ATOM 1002 CD LYS A 67 -15.064 -0.970 -3.079 1.00 0.00 C ATOM 1003 CE LYS A 67 -15.948 -0.546 -1.918 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.020 -1.542 -1.645 1.00 0.00 N ATOM 0 H LYS A 67 -10.960 -1.170 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.197 -3.624 -2.254 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.531 -1.519 -4.420 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.657 -2.831 -4.133 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.712 -1.867 -1.669 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.093 -0.414 -2.427 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -15.012 -0.164 -3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.510 -1.828 -3.582 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.337 -0.416 -1.025 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.399 0.421 -2.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.601 -1.216 -0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.619 -1.648 -2.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.590 -2.459 -1.409 1.00 0.00 H new ATOM 1018 N GLN A 68 -10.400 -3.362 -5.010 1.00 0.00 N ATOM 1019 CA GLN A 68 -9.790 -4.112 -6.092 1.00 0.00 C ATOM 1020 C GLN A 68 -8.748 -5.093 -5.556 1.00 0.00 C ATOM 1021 O GLN A 68 -8.698 -6.250 -5.971 1.00 0.00 O ATOM 1022 CB GLN A 68 -9.127 -3.158 -7.080 1.00 0.00 C ATOM 1023 CG GLN A 68 -10.098 -2.225 -7.773 1.00 0.00 C ATOM 1024 CD GLN A 68 -9.796 -0.752 -7.554 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -8.518 -0.394 -7.566 1.00 0.00 O flip ATOM 1026 NE2 GLN A 68 -10.707 0.057 -7.376 1.00 0.00 N flip ATOM 0 H GLN A 68 -10.122 -2.382 -4.969 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.574 -4.676 -6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.381 -2.564 -6.552 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -8.597 -3.741 -7.833 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.087 -2.433 -8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.107 -2.436 -7.418 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.677 -0.259 -7.374 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.492 1.043 -7.231 1.00 0.00 H new ATOM 1035 N ILE A 69 -7.913 -4.615 -4.638 1.00 0.00 N ATOM 1036 CA ILE A 69 -6.866 -5.438 -4.045 1.00 0.00 C ATOM 1037 C ILE A 69 -7.445 -6.694 -3.415 1.00 0.00 C ATOM 1038 O ILE A 69 -6.848 -7.770 -3.476 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.069 -4.645 -2.987 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -5.398 -3.432 -3.638 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.037 -5.534 -2.304 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.202 -2.273 -2.685 1.00 0.00 C ATOM 0 H ILE A 69 -7.942 -3.657 -4.288 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.190 -5.730 -4.849 1.00 0.00 H new ATOM 0 HB ILE A 69 -6.761 -4.293 -2.222 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.429 -3.732 -4.038 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.003 -3.101 -4.482 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.489 -4.952 -1.563 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -5.542 -6.365 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -4.341 -5.922 -3.048 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -4.722 -1.447 -3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.170 -1.947 -2.304 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.573 -2.589 -1.853 1.00 0.00 H new ATOM 1054 N LYS A 70 -8.611 -6.547 -2.812 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.282 -7.664 -2.169 1.00 0.00 C ATOM 1056 C LYS A 70 -9.899 -8.597 -3.205 1.00 0.00 C ATOM 1057 O LYS A 70 -10.047 -9.795 -2.968 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.362 -7.154 -1.215 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.536 -6.503 -1.924 1.00 0.00 C ATOM 1060 CD LYS A 70 -12.812 -7.316 -1.770 1.00 0.00 C ATOM 1061 CE LYS A 70 -13.624 -6.859 -0.571 1.00 0.00 C ATOM 1062 NZ LYS A 70 -14.818 -6.069 -0.981 1.00 0.00 N ATOM 0 H LYS A 70 -9.115 -5.662 -2.754 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.540 -8.224 -1.600 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.727 -7.986 -0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.918 -6.434 -0.527 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.693 -5.502 -1.523 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.303 -6.389 -2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.414 -7.224 -2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.561 -8.371 -1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.943 -7.728 0.005 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -12.996 -6.255 0.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.392 -5.847 -0.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -14.510 -5.185 -1.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.387 -6.623 -1.653 1.00 0.00 H new ATOM 1076 N GLN A 71 -10.256 -8.040 -4.354 1.00 0.00 N ATOM 1077 CA GLN A 71 -10.855 -8.824 -5.421 1.00 0.00 C ATOM 1078 C GLN A 71 -9.812 -9.736 -6.061 1.00 0.00 C ATOM 1079 O GLN A 71 -10.130 -10.832 -6.523 1.00 0.00 O ATOM 1080 CB GLN A 71 -11.508 -7.894 -6.460 1.00 0.00 C ATOM 1081 CG GLN A 71 -11.630 -8.483 -7.862 1.00 0.00 C ATOM 1082 CD GLN A 71 -10.728 -7.792 -8.870 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -9.570 -7.325 -8.412 1.00 0.00 O flip ATOM 1084 NE2 GLN A 71 -11.067 -7.681 -10.048 1.00 0.00 N flip ATOM 0 H GLN A 71 -10.141 -7.050 -4.569 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.636 -9.459 -5.002 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.503 -7.622 -6.108 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.928 -6.973 -6.518 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -11.384 -9.544 -7.828 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -12.665 -8.406 -8.195 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -11.965 -8.054 -10.358 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -10.450 -7.216 -10.715 1.00 0.00 H new ATOM 1093 N ARG A 72 -8.568 -9.275 -6.082 1.00 0.00 N ATOM 1094 CA ARG A 72 -7.473 -10.047 -6.664 1.00 0.00 C ATOM 1095 C ARG A 72 -6.785 -10.912 -5.614 1.00 0.00 C ATOM 1096 O ARG A 72 -6.822 -12.140 -5.684 1.00 0.00 O ATOM 1097 CB ARG A 72 -6.458 -9.113 -7.336 1.00 0.00 C ATOM 1098 CG ARG A 72 -6.969 -8.490 -8.627 1.00 0.00 C ATOM 1099 CD ARG A 72 -5.982 -8.669 -9.770 1.00 0.00 C ATOM 1100 NE ARG A 72 -6.660 -8.825 -11.058 1.00 0.00 N ATOM 1101 CZ ARG A 72 -6.789 -9.983 -11.704 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -6.279 -11.102 -11.202 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -7.435 -10.022 -12.861 1.00 0.00 N ATOM 0 H ARG A 72 -8.290 -8.370 -5.703 1.00 0.00 H new ATOM 0 HA ARG A 72 -7.895 -10.710 -7.419 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.191 -8.318 -6.639 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -5.546 -9.672 -7.547 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.923 -8.943 -8.896 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.154 -7.427 -8.469 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -5.316 -7.807 -9.813 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -5.360 -9.544 -9.579 1.00 0.00 H new ATOM 0 HE ARG A 72 -7.060 -7.992 -11.489 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -5.782 -11.081 -10.312 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -6.385 -11.982 -11.707 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -7.831 -9.168 -13.253 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -7.536 -10.906 -13.359 1.00 0.00 H new ATOM 1117 N HIS A 73 -6.167 -10.259 -4.644 1.00 0.00 N ATOM 1118 CA HIS A 73 -5.469 -10.950 -3.564 1.00 0.00 C ATOM 1119 C HIS A 73 -5.983 -10.495 -2.202 1.00 0.00 C ATOM 1120 O HIS A 73 -5.327 -9.715 -1.510 1.00 0.00 O ATOM 1121 CB HIS A 73 -3.953 -10.715 -3.649 1.00 0.00 C ATOM 1122 CG HIS A 73 -3.545 -9.293 -3.900 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -2.511 -8.682 -3.223 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -4.022 -8.363 -4.759 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -2.377 -7.442 -3.651 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -3.284 -7.223 -4.581 1.00 0.00 N ATOM 0 H HIS A 73 -6.133 -9.242 -4.580 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.667 -12.016 -3.677 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -3.496 -11.049 -2.718 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -3.548 -11.339 -4.445 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -4.835 -8.495 -5.457 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -1.648 -6.727 -3.299 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.415 -6.347 -5.086 1.00 0.00 H new ATOM 1135 N PRO A 74 -7.175 -10.973 -1.795 1.00 0.00 N ATOM 1136 CA PRO A 74 -7.773 -10.607 -0.508 1.00 0.00 C ATOM 1137 C PRO A 74 -7.016 -11.201 0.675 1.00 0.00 C ATOM 1138 O PRO A 74 -7.572 -11.972 1.456 1.00 0.00 O ATOM 1139 CB PRO A 74 -9.188 -11.191 -0.593 1.00 0.00 C ATOM 1140 CG PRO A 74 -9.080 -12.313 -1.565 1.00 0.00 C ATOM 1141 CD PRO A 74 -8.028 -11.904 -2.559 1.00 0.00 C ATOM 0 HA PRO A 74 -7.753 -9.530 -0.341 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.530 -11.543 0.380 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.905 -10.443 -0.931 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.802 -13.239 -1.062 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.034 -12.493 -2.060 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -7.462 -12.763 -2.920 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.467 -11.421 -3.432 1.00 0.00 H new ATOM 1149 N MET A 75 -5.744 -10.834 0.806 1.00 0.00 N ATOM 1150 CA MET A 75 -4.919 -11.334 1.900 1.00 0.00 C ATOM 1151 C MET A 75 -3.744 -10.407 2.183 1.00 0.00 C ATOM 1152 O MET A 75 -3.332 -10.243 3.332 1.00 0.00 O ATOM 1153 CB MET A 75 -4.408 -12.741 1.577 1.00 0.00 C ATOM 1154 CG MET A 75 -5.515 -13.776 1.467 1.00 0.00 C ATOM 1155 SD MET A 75 -4.915 -15.460 1.706 1.00 0.00 S ATOM 1156 CE MET A 75 -6.445 -16.387 1.616 1.00 0.00 C ATOM 0 H MET A 75 -5.265 -10.195 0.171 1.00 0.00 H new ATOM 0 HA MET A 75 -5.541 -11.372 2.794 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.854 -12.712 0.639 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.707 -13.051 2.352 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.285 -13.560 2.208 1.00 0.00 H new ATOM 0 HG3 MET A 75 -5.985 -13.697 0.487 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.235 -17.449 1.747 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.121 -16.051 2.403 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.911 -16.226 0.644 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.202 -9.813 1.130 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.061 -8.908 1.258 1.00 0.00 C ATOM 1168 C LEU A 76 -2.394 -7.690 2.119 1.00 0.00 C ATOM 1169 O LEU A 76 -3.522 -7.196 2.102 1.00 0.00 O ATOM 1170 CB LEU A 76 -1.605 -8.451 -0.125 1.00 0.00 C ATOM 1171 CG LEU A 76 -0.121 -8.657 -0.419 1.00 0.00 C ATOM 1172 CD1 LEU A 76 0.164 -10.117 -0.739 1.00 0.00 C ATOM 1173 CD2 LEU A 76 0.319 -7.758 -1.562 1.00 0.00 C ATOM 0 H LEU A 76 -3.533 -9.940 0.173 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.258 -9.456 1.752 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.186 -8.985 -0.877 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.838 -7.392 -0.236 1.00 0.00 H new ATOM 0 HG LEU A 76 0.450 -8.388 0.470 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.227 -10.243 -0.946 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.117 -10.737 0.112 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.414 -10.417 -1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.379 -7.915 -1.761 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.257 -7.997 -2.456 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.151 -6.716 -1.290 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.405 -7.183 2.884 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.591 -6.018 3.746 1.00 0.00 C ATOM 1187 C PRO A 77 -1.450 -4.701 2.993 1.00 0.00 C ATOM 1188 O PRO A 77 -0.374 -4.366 2.497 1.00 0.00 O ATOM 1189 CB PRO A 77 -0.470 -6.167 4.767 1.00 0.00 C ATOM 1190 CG PRO A 77 0.627 -6.862 4.033 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.027 -7.708 2.968 1.00 0.00 C ATOM 0 HA PRO A 77 -2.591 -5.986 4.179 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -0.143 -5.196 5.139 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.797 -6.746 5.631 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.311 -6.140 3.587 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.214 -7.481 4.711 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.492 -7.619 2.014 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.019 -8.764 3.238 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.542 -3.952 2.925 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.550 -2.663 2.248 1.00 0.00 C ATOM 1201 C VAL A 78 -2.406 -1.525 3.254 1.00 0.00 C ATOM 1202 O VAL A 78 -3.000 -1.556 4.333 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.843 -2.449 1.439 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.661 -1.334 0.422 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.272 -3.738 0.751 1.00 0.00 C ATOM 0 H VAL A 78 -3.438 -4.217 3.333 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.703 -2.662 1.562 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.632 -2.156 2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.586 -1.199 -0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.411 -0.407 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.855 -1.595 -0.264 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.187 -3.562 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.485 -4.068 0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.451 -4.508 1.501 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.613 -0.524 2.893 1.00 0.00 N ATOM 1216 CA ILE A 79 -1.390 0.626 3.759 1.00 0.00 C ATOM 1217 C ILE A 79 -1.787 1.917 3.053 1.00 0.00 C ATOM 1218 O ILE A 79 -1.152 2.326 2.080 1.00 0.00 O ATOM 1219 CB ILE A 79 0.084 0.719 4.201 1.00 0.00 C ATOM 1220 CG1 ILE A 79 0.573 -0.628 4.742 1.00 0.00 C ATOM 1221 CG2 ILE A 79 0.259 1.808 5.247 1.00 0.00 C ATOM 1222 CD1 ILE A 79 1.704 -1.230 3.936 1.00 0.00 C ATOM 0 H ILE A 79 -1.113 -0.486 2.005 1.00 0.00 H new ATOM 0 HA ILE A 79 -2.012 0.491 4.644 1.00 0.00 H new ATOM 0 HB ILE A 79 0.686 0.977 3.330 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.902 -0.498 5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.262 -1.328 4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.306 1.859 5.547 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -0.046 2.767 4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.357 1.580 6.117 1.00 0.00 H new ATOM 0 HD11 ILE A 79 1.999 -2.182 4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.373 -1.392 2.910 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.556 -0.550 3.940 1.00 0.00 H new ATOM 1234 N ILE A 80 -2.848 2.551 3.540 1.00 0.00 N ATOM 1235 CA ILE A 80 -3.335 3.790 2.942 1.00 0.00 C ATOM 1236 C ILE A 80 -2.833 5.014 3.713 1.00 0.00 C ATOM 1237 O ILE A 80 -2.845 5.040 4.945 1.00 0.00 O ATOM 1238 CB ILE A 80 -4.877 3.804 2.858 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -5.393 2.459 2.336 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -5.342 4.934 1.958 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -5.411 1.370 3.382 1.00 0.00 C ATOM 0 H ILE A 80 -3.386 2.229 4.345 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.937 3.838 1.928 1.00 0.00 H new ATOM 0 HB ILE A 80 -5.281 3.966 3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -6.402 2.593 1.946 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -4.769 2.139 1.502 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -6.431 4.934 1.907 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.998 5.886 2.362 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.932 4.795 0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.788 0.447 2.940 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.400 1.207 3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -6.058 1.668 4.207 1.00 0.00 H new ATOM 1253 N MET A 81 -2.361 6.011 2.966 1.00 0.00 N ATOM 1254 CA MET A 81 -1.807 7.237 3.547 1.00 0.00 C ATOM 1255 C MET A 81 -2.869 8.308 3.827 1.00 0.00 C ATOM 1256 O MET A 81 -2.573 9.328 4.448 1.00 0.00 O ATOM 1257 CB MET A 81 -0.755 7.812 2.601 1.00 0.00 C ATOM 1258 CG MET A 81 -1.322 8.232 1.255 1.00 0.00 C ATOM 1259 SD MET A 81 -0.466 9.657 0.556 1.00 0.00 S ATOM 1260 CE MET A 81 -0.715 10.863 1.856 1.00 0.00 C ATOM 0 H MET A 81 -2.351 5.994 1.946 1.00 0.00 H new ATOM 0 HA MET A 81 -1.368 6.963 4.506 1.00 0.00 H new ATOM 0 HB2 MET A 81 -0.284 8.674 3.074 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.026 7.068 2.442 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.255 7.395 0.560 1.00 0.00 H new ATOM 0 HG3 MET A 81 -2.380 8.468 1.368 1.00 0.00 H new ATOM 0 HE1 MET A 81 -1.181 11.756 1.439 1.00 0.00 H new ATOM 0 HE2 MET A 81 -1.363 10.441 2.625 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.246 11.127 2.297 1.00 0.00 H new ATOM 1270 N THR A 82 -4.090 8.091 3.355 1.00 0.00 N ATOM 1271 CA THR A 82 -5.171 9.060 3.553 1.00 0.00 C ATOM 1272 C THR A 82 -6.528 8.374 3.645 1.00 0.00 C ATOM 1273 O THR A 82 -6.827 7.472 2.868 1.00 0.00 O ATOM 1274 CB THR A 82 -5.169 10.082 2.416 1.00 0.00 C ATOM 1275 OG1 THR A 82 -3.865 10.598 2.221 1.00 0.00 O ATOM 1276 CG2 THR A 82 -6.094 11.253 2.655 1.00 0.00 C ATOM 0 H THR A 82 -4.360 7.257 2.834 1.00 0.00 H new ATOM 0 HA THR A 82 -4.996 9.572 4.499 1.00 0.00 H new ATOM 0 HB THR A 82 -5.522 9.541 1.538 1.00 0.00 H new ATOM 0 HG1 THR A 82 -3.877 11.250 1.489 1.00 0.00 H new ATOM 0 HG21 THR A 82 -6.041 11.937 1.808 1.00 0.00 H new ATOM 0 HG22 THR A 82 -7.116 10.892 2.767 1.00 0.00 H new ATOM 0 HG23 THR A 82 -5.792 11.775 3.563 1.00 0.00 H new ATOM 1284 N ALA A 83 -7.351 8.810 4.592 1.00 0.00 N ATOM 1285 CA ALA A 83 -8.675 8.232 4.767 1.00 0.00 C ATOM 1286 C ALA A 83 -9.762 9.297 4.663 1.00 0.00 C ATOM 1287 O ALA A 83 -10.250 9.801 5.674 1.00 0.00 O ATOM 1288 CB ALA A 83 -8.765 7.507 6.101 1.00 0.00 C ATOM 0 H ALA A 83 -7.125 9.559 5.247 1.00 0.00 H new ATOM 0 HA ALA A 83 -8.836 7.511 3.965 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.761 7.080 6.217 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -8.023 6.709 6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.575 8.211 6.911 1.00 0.00 H new ATOM 1294 N HIS A 84 -10.139 9.630 3.433 1.00 0.00 N ATOM 1295 CA HIS A 84 -11.175 10.633 3.198 1.00 0.00 C ATOM 1296 C HIS A 84 -12.533 10.126 3.682 1.00 0.00 C ATOM 1297 O HIS A 84 -12.606 9.142 4.421 1.00 0.00 O ATOM 1298 CB HIS A 84 -11.239 10.990 1.709 1.00 0.00 C ATOM 1299 CG HIS A 84 -10.118 11.875 1.269 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -9.788 12.352 0.046 1.00 0.00 N flip ATOM 1301 CD2 HIS A 84 -9.170 12.369 2.140 1.00 0.00 C flip ATOM 1302 CE1 HIS A 84 -8.660 13.119 0.200 1.00 0.00 C flip ATOM 1303 NE2 HIS A 84 -8.307 13.112 1.473 1.00 0.00 N flip ATOM 0 H HIS A 84 -9.745 9.222 2.585 1.00 0.00 H new ATOM 0 HA HIS A 84 -10.922 11.530 3.763 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -11.222 10.073 1.121 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -12.188 11.485 1.501 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -10.285 12.175 -0.827 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -9.139 12.178 3.202 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -8.145 13.643 -0.591 1.00 0.00 H new ATOM 1312 N SER A 85 -13.607 10.804 3.285 1.00 0.00 N ATOM 1313 CA SER A 85 -14.950 10.416 3.707 1.00 0.00 C ATOM 1314 C SER A 85 -15.494 9.254 2.879 1.00 0.00 C ATOM 1315 O SER A 85 -16.287 9.448 1.958 1.00 0.00 O ATOM 1316 CB SER A 85 -15.899 11.612 3.610 1.00 0.00 C ATOM 1317 OG SER A 85 -16.803 11.627 4.700 1.00 0.00 O ATOM 0 H SER A 85 -13.574 11.621 2.675 1.00 0.00 H new ATOM 0 HA SER A 85 -14.884 10.084 4.743 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.324 12.538 3.596 1.00 0.00 H new ATOM 0 HB3 SER A 85 -16.453 11.567 2.673 1.00 0.00 H new ATOM 0 HG SER A 85 -17.400 12.400 4.620 1.00 0.00 H new ATOM 1323 N ASP A 86 -15.070 8.043 3.231 1.00 0.00 N ATOM 1324 CA ASP A 86 -15.517 6.835 2.543 1.00 0.00 C ATOM 1325 C ASP A 86 -14.910 5.587 3.181 1.00 0.00 C ATOM 1326 O ASP A 86 -14.716 4.571 2.515 1.00 0.00 O ATOM 1327 CB ASP A 86 -15.147 6.893 1.060 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.749 5.743 0.276 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -16.941 5.436 0.495 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -15.031 5.147 -0.553 1.00 0.00 O ATOM 0 H ASP A 86 -14.414 7.872 3.993 1.00 0.00 H new ATOM 0 HA ASP A 86 -16.602 6.780 2.636 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -15.490 7.838 0.638 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -14.062 6.873 0.957 1.00 0.00 H new ATOM 1335 N LEU A 87 -14.617 5.676 4.478 1.00 0.00 N ATOM 1336 CA LEU A 87 -14.024 4.568 5.231 1.00 0.00 C ATOM 1337 C LEU A 87 -14.704 3.229 4.934 1.00 0.00 C ATOM 1338 O LEU A 87 -14.111 2.169 5.134 1.00 0.00 O ATOM 1339 CB LEU A 87 -14.099 4.871 6.731 1.00 0.00 C ATOM 1340 CG LEU A 87 -12.766 4.811 7.478 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -12.243 3.384 7.522 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -11.747 5.740 6.830 1.00 0.00 C ATOM 0 H LEU A 87 -14.783 6.514 5.036 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.984 4.476 4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -14.526 5.865 6.863 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -14.788 4.164 7.194 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.929 5.146 8.502 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.294 3.361 8.057 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.964 2.748 8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -12.095 3.019 6.506 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.805 5.684 7.375 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.586 5.438 5.795 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.120 6.764 6.855 1.00 0.00 H new ATOM 1354 N ASP A 88 -15.946 3.284 4.472 1.00 0.00 N ATOM 1355 CA ASP A 88 -16.710 2.077 4.162 1.00 0.00 C ATOM 1356 C ASP A 88 -15.904 1.089 3.319 1.00 0.00 C ATOM 1357 O ASP A 88 -15.921 -0.114 3.579 1.00 0.00 O ATOM 1358 CB ASP A 88 -18.000 2.446 3.426 1.00 0.00 C ATOM 1359 CG ASP A 88 -19.078 2.933 4.371 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -19.761 2.084 4.980 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -19.238 4.166 4.503 1.00 0.00 O ATOM 0 H ASP A 88 -16.450 4.154 4.302 1.00 0.00 H new ATOM 0 HA ASP A 88 -16.949 1.592 5.108 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -17.787 3.221 2.690 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -18.365 1.577 2.878 1.00 0.00 H new ATOM 1366 N ALA A 89 -15.210 1.597 2.307 1.00 0.00 N ATOM 1367 CA ALA A 89 -14.416 0.746 1.433 1.00 0.00 C ATOM 1368 C ALA A 89 -13.152 0.255 2.126 1.00 0.00 C ATOM 1369 O ALA A 89 -12.582 -0.769 1.743 1.00 0.00 O ATOM 1370 CB ALA A 89 -14.072 1.476 0.146 1.00 0.00 C ATOM 0 H ALA A 89 -15.182 2.589 2.073 1.00 0.00 H new ATOM 0 HA ALA A 89 -15.018 -0.129 1.188 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.478 0.824 -0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.990 1.754 -0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -13.500 2.374 0.379 1.00 0.00 H new ATOM 1376 N ALA A 90 -12.720 0.976 3.156 1.00 0.00 N ATOM 1377 CA ALA A 90 -11.529 0.592 3.904 1.00 0.00 C ATOM 1378 C ALA A 90 -11.792 -0.680 4.690 1.00 0.00 C ATOM 1379 O ALA A 90 -10.931 -1.554 4.787 1.00 0.00 O ATOM 1380 CB ALA A 90 -11.089 1.703 4.848 1.00 0.00 C ATOM 0 H ALA A 90 -13.175 1.826 3.490 1.00 0.00 H new ATOM 0 HA ALA A 90 -10.726 0.414 3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.199 1.387 5.392 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.863 2.601 4.273 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -11.890 1.917 5.556 1.00 0.00 H new ATOM 1386 N VAL A 91 -12.991 -0.777 5.257 1.00 0.00 N ATOM 1387 CA VAL A 91 -13.359 -1.944 6.045 1.00 0.00 C ATOM 1388 C VAL A 91 -13.156 -3.229 5.254 1.00 0.00 C ATOM 1389 O VAL A 91 -12.678 -4.226 5.794 1.00 0.00 O ATOM 1390 CB VAL A 91 -14.809 -1.888 6.560 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -14.956 -2.811 7.759 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -15.209 -0.465 6.927 1.00 0.00 C ATOM 0 H VAL A 91 -13.718 -0.066 5.185 1.00 0.00 H new ATOM 0 HA VAL A 91 -12.697 -1.937 6.911 1.00 0.00 H new ATOM 0 HB VAL A 91 -15.476 -2.221 5.764 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -15.982 -2.772 8.124 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -14.714 -3.832 7.464 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -14.277 -2.491 8.550 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -16.238 -0.458 7.287 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -14.548 -0.091 7.709 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -15.128 0.174 6.048 1.00 0.00 H new ATOM 1402 N SER A 92 -13.497 -3.199 3.968 1.00 0.00 N ATOM 1403 CA SER A 92 -13.317 -4.368 3.120 1.00 0.00 C ATOM 1404 C SER A 92 -11.834 -4.710 3.022 1.00 0.00 C ATOM 1405 O SER A 92 -11.458 -5.831 2.676 1.00 0.00 O ATOM 1406 CB SER A 92 -13.896 -4.119 1.728 1.00 0.00 C ATOM 1407 OG SER A 92 -13.144 -3.145 1.023 1.00 0.00 O ATOM 0 H SER A 92 -13.895 -2.386 3.497 1.00 0.00 H new ATOM 0 HA SER A 92 -13.849 -5.209 3.565 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.906 -5.052 1.164 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.931 -3.789 1.816 1.00 0.00 H new ATOM 0 HG SER A 92 -13.216 -2.282 1.481 1.00 0.00 H new ATOM 1413 N ALA A 93 -10.999 -3.728 3.333 1.00 0.00 N ATOM 1414 CA ALA A 93 -9.562 -3.900 3.301 1.00 0.00 C ATOM 1415 C ALA A 93 -9.076 -4.694 4.504 1.00 0.00 C ATOM 1416 O ALA A 93 -8.403 -5.711 4.369 1.00 0.00 O ATOM 1417 CB ALA A 93 -8.887 -2.544 3.251 1.00 0.00 C ATOM 0 H ALA A 93 -11.302 -2.795 3.613 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.301 -4.464 2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.805 -2.677 3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.207 -2.011 2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -9.162 -1.968 4.134 1.00 0.00 H new ATOM 1423 N TYR A 94 -9.418 -4.210 5.684 1.00 0.00 N ATOM 1424 CA TYR A 94 -9.011 -4.864 6.927 1.00 0.00 C ATOM 1425 C TYR A 94 -9.483 -6.309 6.960 1.00 0.00 C ATOM 1426 O TYR A 94 -8.815 -7.180 7.518 1.00 0.00 O ATOM 1427 CB TYR A 94 -9.560 -4.124 8.153 1.00 0.00 C ATOM 1428 CG TYR A 94 -9.603 -2.621 8.009 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -8.450 -1.894 7.737 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -10.800 -1.929 8.146 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -8.491 -0.519 7.604 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -10.848 -0.553 8.015 1.00 0.00 C ATOM 1433 CZ TYR A 94 -9.689 0.145 7.743 1.00 0.00 C ATOM 1434 OH TYR A 94 -9.733 1.514 7.606 1.00 0.00 O ATOM 0 H TYR A 94 -9.977 -3.367 5.814 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.922 -4.840 6.960 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -10.567 -4.486 8.359 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -8.947 -4.376 9.019 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -7.508 -2.411 7.628 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -11.708 -2.474 8.358 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -7.587 0.032 7.392 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -11.786 -0.029 8.125 1.00 0.00 H new ATOM 0 HH TYR A 94 -9.080 1.796 6.932 1.00 0.00 H new ATOM 1444 N GLN A 95 -10.639 -6.554 6.363 1.00 0.00 N ATOM 1445 CA GLN A 95 -11.207 -7.895 6.328 1.00 0.00 C ATOM 1446 C GLN A 95 -10.474 -8.769 5.316 1.00 0.00 C ATOM 1447 O GLN A 95 -10.388 -9.985 5.485 1.00 0.00 O ATOM 1448 CB GLN A 95 -12.703 -7.839 6.014 1.00 0.00 C ATOM 1449 CG GLN A 95 -13.023 -7.314 4.627 1.00 0.00 C ATOM 1450 CD GLN A 95 -12.971 -8.392 3.562 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -12.762 -9.567 3.862 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -13.159 -7.997 2.306 1.00 0.00 N ATOM 0 H GLN A 95 -11.203 -5.843 5.896 1.00 0.00 H new ATOM 0 HA GLN A 95 -11.082 -8.343 7.314 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -13.123 -8.839 6.119 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -13.196 -7.207 6.753 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -14.016 -6.865 4.634 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.317 -6.523 4.371 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.329 -7.012 2.101 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.133 -8.679 1.548 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.929 -8.147 4.272 1.00 0.00 N ATOM 1462 CA GLN A 96 -9.187 -8.883 3.260 1.00 0.00 C ATOM 1463 C GLN A 96 -7.718 -9.030 3.660 1.00 0.00 C ATOM 1464 O GLN A 96 -6.970 -9.770 3.026 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.300 -8.215 1.883 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.530 -6.911 1.763 1.00 0.00 C ATOM 1467 CD GLN A 96 -7.198 -7.081 1.059 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -7.143 -7.232 -0.161 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -6.115 -7.054 1.828 1.00 0.00 N ATOM 0 H GLN A 96 -9.989 -7.142 4.109 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.630 -9.876 3.190 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.940 -8.909 1.123 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.352 -8.025 1.668 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.134 -6.186 1.218 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -8.360 -6.501 2.759 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.208 -6.926 2.836 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.190 -7.161 1.411 1.00 0.00 H new ATOM 1478 N GLY A 97 -7.311 -8.332 4.723 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.935 -8.426 5.182 1.00 0.00 C ATOM 1480 C GLY A 97 -5.204 -7.092 5.206 1.00 0.00 C ATOM 1481 O GLY A 97 -4.001 -7.052 5.452 1.00 0.00 O ATOM 0 H GLY A 97 -7.906 -7.709 5.269 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -5.925 -8.854 6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.392 -9.116 4.536 1.00 0.00 H new ATOM 1485 N ALA A 98 -5.921 -6.000 4.948 1.00 0.00 N ATOM 1486 CA ALA A 98 -5.306 -4.671 4.942 1.00 0.00 C ATOM 1487 C ALA A 98 -4.591 -4.380 6.260 1.00 0.00 C ATOM 1488 O ALA A 98 -4.898 -4.985 7.286 1.00 0.00 O ATOM 1489 CB ALA A 98 -6.350 -3.603 4.659 1.00 0.00 C ATOM 0 H ALA A 98 -6.920 -6.006 4.742 1.00 0.00 H new ATOM 0 HA ALA A 98 -4.560 -4.654 4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -5.876 -2.622 4.658 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -6.804 -3.787 3.685 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -7.120 -3.633 5.430 1.00 0.00 H new ATOM 1495 N PHE A 99 -3.629 -3.453 6.227 1.00 0.00 N ATOM 1496 CA PHE A 99 -2.877 -3.100 7.424 1.00 0.00 C ATOM 1497 C PHE A 99 -3.591 -2.024 8.239 1.00 0.00 C ATOM 1498 O PHE A 99 -3.835 -2.207 9.433 1.00 0.00 O ATOM 1499 CB PHE A 99 -1.466 -2.619 7.062 1.00 0.00 C ATOM 1500 CG PHE A 99 -0.509 -2.649 8.223 1.00 0.00 C ATOM 1501 CD1 PHE A 99 -0.465 -3.744 9.071 1.00 0.00 C ATOM 1502 CD2 PHE A 99 0.345 -1.582 8.467 1.00 0.00 C ATOM 1503 CE1 PHE A 99 0.411 -3.776 10.140 1.00 0.00 C ATOM 1504 CE2 PHE A 99 1.224 -1.609 9.535 1.00 0.00 C ATOM 1505 CZ PHE A 99 1.258 -2.708 10.372 1.00 0.00 C ATOM 0 H PHE A 99 -3.358 -2.939 5.389 1.00 0.00 H new ATOM 0 HA PHE A 99 -2.803 -4.001 8.032 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -1.072 -3.243 6.260 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -1.525 -1.602 6.675 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -1.123 -4.582 8.895 1.00 0.00 H new ATOM 0 HD2 PHE A 99 0.323 -0.721 7.816 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.434 -4.635 10.794 1.00 0.00 H new ATOM 0 HE2 PHE A 99 1.883 -0.772 9.714 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.944 -2.733 11.205 1.00 0.00 H new ATOM 1515 N ASP A 100 -3.928 -0.903 7.597 1.00 0.00 N ATOM 1516 CA ASP A 100 -4.615 0.192 8.287 1.00 0.00 C ATOM 1517 C ASP A 100 -4.683 1.451 7.428 1.00 0.00 C ATOM 1518 O ASP A 100 -4.519 1.394 6.211 1.00 0.00 O ATOM 1519 CB ASP A 100 -3.925 0.500 9.625 1.00 0.00 C ATOM 1520 CG ASP A 100 -4.854 0.309 10.806 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -5.672 -0.635 10.771 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -4.765 1.101 11.767 1.00 0.00 O ATOM 0 H ASP A 100 -3.739 -0.730 6.610 1.00 0.00 H new ATOM 0 HA ASP A 100 -5.637 -0.134 8.478 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -3.056 -0.147 9.741 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -3.559 1.527 9.615 1.00 0.00 H new ATOM 1527 N TYR A 101 -4.950 2.585 8.074 1.00 0.00 N ATOM 1528 CA TYR A 101 -5.073 3.858 7.380 1.00 0.00 C ATOM 1529 C TYR A 101 -4.315 4.965 8.102 1.00 0.00 C ATOM 1530 O TYR A 101 -4.115 4.907 9.317 1.00 0.00 O ATOM 1531 CB TYR A 101 -6.549 4.233 7.257 1.00 0.00 C ATOM 1532 CG TYR A 101 -7.129 3.957 5.893 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -7.545 2.679 5.532 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -7.262 4.980 4.967 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -8.081 2.437 4.278 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -7.792 4.747 3.716 1.00 0.00 C ATOM 1537 CZ TYR A 101 -8.201 3.477 3.375 1.00 0.00 C ATOM 1538 OH TYR A 101 -8.733 3.247 2.128 1.00 0.00 O ATOM 0 H TYR A 101 -5.085 2.644 9.083 1.00 0.00 H new ATOM 0 HA TYR A 101 -4.635 3.747 6.388 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -7.119 3.681 8.004 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -6.667 5.292 7.485 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -7.449 1.867 6.237 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -6.944 5.978 5.231 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -8.403 1.442 4.007 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -7.886 5.556 3.007 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.251 3.781 1.463 1.00 0.00 H new ATOM 1548 N LEU A 102 -3.892 5.972 7.343 1.00 0.00 N ATOM 1549 CA LEU A 102 -3.152 7.098 7.900 1.00 0.00 C ATOM 1550 C LEU A 102 -4.049 8.326 8.054 1.00 0.00 C ATOM 1551 O LEU A 102 -4.595 8.832 7.073 1.00 0.00 O ATOM 1552 CB LEU A 102 -1.960 7.428 6.998 1.00 0.00 C ATOM 1553 CG LEU A 102 -0.587 7.280 7.651 1.00 0.00 C ATOM 1554 CD1 LEU A 102 -0.414 5.889 8.229 1.00 0.00 C ATOM 1555 CD2 LEU A 102 0.507 7.567 6.640 1.00 0.00 C ATOM 0 H LEU A 102 -4.050 6.030 6.337 1.00 0.00 H new ATOM 0 HA LEU A 102 -2.793 6.817 8.890 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -1.999 6.781 6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -2.067 8.453 6.643 1.00 0.00 H new ATOM 0 HG LEU A 102 -0.514 8.001 8.465 1.00 0.00 H new ATOM 0 HD11 LEU A 102 0.571 5.806 8.689 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.182 5.709 8.981 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.506 5.150 7.433 1.00 0.00 H new ATOM 0 HD21 LEU A 102 1.481 7.458 7.117 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.429 6.864 5.810 1.00 0.00 H new ATOM 0 HD23 LEU A 102 0.398 8.585 6.265 1.00 0.00 H new ATOM 1567 N PRO A 103 -4.217 8.826 9.297 1.00 0.00 N ATOM 1568 CA PRO A 103 -5.054 9.997 9.567 1.00 0.00 C ATOM 1569 C PRO A 103 -4.504 11.269 8.929 1.00 0.00 C ATOM 1570 O PRO A 103 -5.083 11.799 7.983 1.00 0.00 O ATOM 1571 CB PRO A 103 -5.043 10.118 11.096 1.00 0.00 C ATOM 1572 CG PRO A 103 -3.838 9.364 11.544 1.00 0.00 C ATOM 1573 CD PRO A 103 -3.608 8.282 10.525 1.00 0.00 C ATOM 0 HA PRO A 103 -6.053 9.877 9.148 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -4.992 11.161 11.407 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -5.952 9.700 11.530 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -2.972 10.022 11.613 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -3.994 8.937 12.535 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -2.546 8.078 10.389 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -4.077 7.344 10.823 1.00 0.00 H new ATOM 1581 N LYS A 104 -3.385 11.759 9.458 1.00 0.00 N ATOM 1582 CA LYS A 104 -2.765 12.976 8.941 1.00 0.00 C ATOM 1583 C LYS A 104 -1.314 12.743 8.522 1.00 0.00 C ATOM 1584 O LYS A 104 -0.972 12.908 7.352 1.00 0.00 O ATOM 1585 CB LYS A 104 -2.837 14.094 9.980 1.00 0.00 C ATOM 1586 CG LYS A 104 -4.113 14.915 9.887 1.00 0.00 C ATOM 1587 CD LYS A 104 -5.056 14.613 11.038 1.00 0.00 C ATOM 1588 CE LYS A 104 -6.264 15.536 11.017 1.00 0.00 C ATOM 1589 NZ LYS A 104 -5.975 16.849 11.660 1.00 0.00 N ATOM 0 H LYS A 104 -2.891 11.333 10.242 1.00 0.00 H new ATOM 0 HA LYS A 104 -3.323 13.273 8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -2.763 13.660 10.977 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -1.978 14.753 9.855 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -3.865 15.976 9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.613 14.706 8.941 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -5.387 13.576 10.978 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -4.526 14.725 11.984 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -6.578 15.699 9.986 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -7.096 15.056 11.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.825 17.448 11.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -5.700 16.697 12.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -5.198 17.320 11.154 1.00 0.00 H new ATOM 1603 N PRO A 105 -0.429 12.361 9.465 1.00 0.00 N ATOM 1604 CA PRO A 105 0.983 12.118 9.161 1.00 0.00 C ATOM 1605 C PRO A 105 1.168 11.191 7.962 1.00 0.00 C ATOM 1606 O PRO A 105 0.240 10.496 7.552 1.00 0.00 O ATOM 1607 CB PRO A 105 1.534 11.462 10.439 1.00 0.00 C ATOM 1608 CG PRO A 105 0.337 11.136 11.273 1.00 0.00 C ATOM 1609 CD PRO A 105 -0.714 12.137 10.892 1.00 0.00 C ATOM 0 HA PRO A 105 1.498 13.040 8.892 1.00 0.00 H new ATOM 0 HB2 PRO A 105 2.104 10.563 10.204 1.00 0.00 H new ATOM 0 HB3 PRO A 105 2.207 12.137 10.967 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -0.006 10.119 11.084 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.572 11.201 12.335 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -1.721 11.750 11.050 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -0.631 13.056 11.473 1.00 0.00 H new ATOM 1617 N PHE A 106 2.378 11.185 7.410 1.00 0.00 N ATOM 1618 CA PHE A 106 2.700 10.340 6.266 1.00 0.00 C ATOM 1619 C PHE A 106 4.201 10.387 5.979 1.00 0.00 C ATOM 1620 O PHE A 106 4.977 9.743 6.680 1.00 0.00 O ATOM 1621 CB PHE A 106 1.883 10.744 5.029 1.00 0.00 C ATOM 1622 CG PHE A 106 2.231 9.959 3.788 1.00 0.00 C ATOM 1623 CD1 PHE A 106 2.005 8.591 3.725 1.00 0.00 C ATOM 1624 CD2 PHE A 106 2.795 10.588 2.688 1.00 0.00 C ATOM 1625 CE1 PHE A 106 2.333 7.870 2.592 1.00 0.00 C ATOM 1626 CE2 PHE A 106 3.122 9.872 1.551 1.00 0.00 C ATOM 1627 CZ PHE A 106 2.891 8.511 1.503 1.00 0.00 C ATOM 0 H PHE A 106 3.154 11.759 7.739 1.00 0.00 H new ATOM 0 HA PHE A 106 2.430 9.313 6.511 1.00 0.00 H new ATOM 0 HB2 PHE A 106 0.823 10.612 5.246 1.00 0.00 H new ATOM 0 HB3 PHE A 106 2.039 11.805 4.833 1.00 0.00 H new ATOM 0 HD1 PHE A 106 1.567 8.083 4.572 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.981 11.651 2.720 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.153 6.806 2.558 1.00 0.00 H new ATOM 0 HE2 PHE A 106 3.558 10.377 0.701 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.146 7.950 0.616 1.00 0.00 H new ATOM 1637 N ASP A 107 4.617 11.143 4.958 1.00 0.00 N ATOM 1638 CA ASP A 107 6.036 11.244 4.609 1.00 0.00 C ATOM 1639 C ASP A 107 6.710 9.867 4.658 1.00 0.00 C ATOM 1640 O ASP A 107 6.070 8.868 4.978 1.00 0.00 O ATOM 1641 CB ASP A 107 6.740 12.226 5.552 1.00 0.00 C ATOM 1642 CG ASP A 107 6.820 11.713 6.976 1.00 0.00 C ATOM 1643 OD1 ASP A 107 7.733 10.915 7.266 1.00 0.00 O ATOM 1644 OD2 ASP A 107 5.969 12.110 7.799 1.00 0.00 O ATOM 0 H ASP A 107 3.995 11.690 4.363 1.00 0.00 H new ATOM 0 HA ASP A 107 6.117 11.620 3.589 1.00 0.00 H new ATOM 0 HB2 ASP A 107 7.747 12.420 5.183 1.00 0.00 H new ATOM 0 HB3 ASP A 107 6.208 13.178 5.542 1.00 0.00 H new ATOM 1649 N ILE A 108 7.992 9.802 4.332 1.00 0.00 N ATOM 1650 CA ILE A 108 8.696 8.523 4.351 1.00 0.00 C ATOM 1651 C ILE A 108 8.851 7.983 5.769 1.00 0.00 C ATOM 1652 O ILE A 108 8.665 6.791 6.013 1.00 0.00 O ATOM 1653 CB ILE A 108 10.073 8.607 3.651 1.00 0.00 C ATOM 1654 CG1 ILE A 108 10.066 7.731 2.401 1.00 0.00 C ATOM 1655 CG2 ILE A 108 11.194 8.172 4.579 1.00 0.00 C ATOM 1656 CD1 ILE A 108 9.001 8.117 1.400 1.00 0.00 C ATOM 0 H ILE A 108 8.560 10.603 4.055 1.00 0.00 H new ATOM 0 HA ILE A 108 8.078 7.824 3.788 1.00 0.00 H new ATOM 0 HB ILE A 108 10.251 9.646 3.373 1.00 0.00 H new ATOM 0 HG12 ILE A 108 11.043 7.789 1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 108 9.917 6.692 2.696 1.00 0.00 H new ATOM 0 HG21 ILE A 108 12.148 8.243 4.056 1.00 0.00 H new ATOM 0 HG22 ILE A 108 11.212 8.819 5.456 1.00 0.00 H new ATOM 0 HG23 ILE A 108 11.028 7.141 4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 108 9.054 7.453 0.537 1.00 0.00 H new ATOM 0 HD12 ILE A 108 8.018 8.032 1.863 1.00 0.00 H new ATOM 0 HD13 ILE A 108 9.161 9.145 1.076 1.00 0.00 H new ATOM 1668 N ASP A 109 9.202 8.860 6.691 1.00 0.00 N ATOM 1669 CA ASP A 109 9.399 8.469 8.088 1.00 0.00 C ATOM 1670 C ASP A 109 8.225 7.652 8.622 1.00 0.00 C ATOM 1671 O ASP A 109 8.405 6.520 9.063 1.00 0.00 O ATOM 1672 CB ASP A 109 9.610 9.704 8.966 1.00 0.00 C ATOM 1673 CG ASP A 109 10.109 9.346 10.352 1.00 0.00 C ATOM 1674 OD1 ASP A 109 11.182 8.713 10.452 1.00 0.00 O ATOM 1675 OD2 ASP A 109 9.427 9.698 11.338 1.00 0.00 O ATOM 0 H ASP A 109 9.358 9.851 6.505 1.00 0.00 H new ATOM 0 HA ASP A 109 10.290 7.842 8.124 1.00 0.00 H new ATOM 0 HB2 ASP A 109 10.326 10.371 8.485 1.00 0.00 H new ATOM 0 HB3 ASP A 109 8.671 10.252 9.050 1.00 0.00 H new ATOM 1680 N GLU A 110 7.028 8.228 8.587 1.00 0.00 N ATOM 1681 CA GLU A 110 5.843 7.540 9.081 1.00 0.00 C ATOM 1682 C GLU A 110 5.380 6.459 8.116 1.00 0.00 C ATOM 1683 O GLU A 110 4.819 5.445 8.532 1.00 0.00 O ATOM 1684 CB GLU A 110 4.707 8.534 9.346 1.00 0.00 C ATOM 1685 CG GLU A 110 5.084 9.638 10.317 1.00 0.00 C ATOM 1686 CD GLU A 110 4.463 9.446 11.688 1.00 0.00 C ATOM 1687 OE1 GLU A 110 3.359 8.866 11.764 1.00 0.00 O ATOM 1688 OE2 GLU A 110 5.081 9.876 12.684 1.00 0.00 O ATOM 0 H GLU A 110 6.854 9.165 8.223 1.00 0.00 H new ATOM 0 HA GLU A 110 6.115 7.059 10.020 1.00 0.00 H new ATOM 0 HB2 GLU A 110 4.398 8.981 8.401 1.00 0.00 H new ATOM 0 HB3 GLU A 110 3.846 7.993 9.739 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.169 9.675 10.416 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.768 10.598 9.910 1.00 0.00 H new ATOM 1695 N ALA A 111 5.624 6.671 6.830 1.00 0.00 N ATOM 1696 CA ALA A 111 5.234 5.702 5.819 1.00 0.00 C ATOM 1697 C ALA A 111 6.073 4.440 5.947 1.00 0.00 C ATOM 1698 O ALA A 111 5.551 3.364 6.241 1.00 0.00 O ATOM 1699 CB ALA A 111 5.368 6.294 4.427 1.00 0.00 C ATOM 0 H ALA A 111 6.088 7.502 6.465 1.00 0.00 H new ATOM 0 HA ALA A 111 4.188 5.441 5.977 1.00 0.00 H new ATOM 0 HB1 ALA A 111 5.071 5.552 3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.725 7.170 4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.404 6.585 4.254 1.00 0.00 H new ATOM 1705 N VAL A 112 7.381 4.579 5.756 1.00 0.00 N ATOM 1706 CA VAL A 112 8.284 3.441 5.881 1.00 0.00 C ATOM 1707 C VAL A 112 8.131 2.798 7.252 1.00 0.00 C ATOM 1708 O VAL A 112 8.302 1.591 7.420 1.00 0.00 O ATOM 1709 CB VAL A 112 9.755 3.841 5.691 1.00 0.00 C ATOM 1710 CG1 VAL A 112 10.644 2.611 5.769 1.00 0.00 C ATOM 1711 CG2 VAL A 112 9.951 4.577 4.375 1.00 0.00 C ATOM 0 H VAL A 112 7.836 5.460 5.516 1.00 0.00 H new ATOM 0 HA VAL A 112 8.013 2.737 5.094 1.00 0.00 H new ATOM 0 HB VAL A 112 10.038 4.522 6.494 1.00 0.00 H new ATOM 0 HG11 VAL A 112 11.685 2.905 5.633 1.00 0.00 H new ATOM 0 HG12 VAL A 112 10.525 2.137 6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 112 10.361 1.907 4.986 1.00 0.00 H new ATOM 0 HG21 VAL A 112 11.000 4.850 4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 112 9.654 3.931 3.549 1.00 0.00 H new ATOM 0 HG23 VAL A 112 9.339 5.479 4.368 1.00 0.00 H new ATOM 1721 N ALA A 113 7.806 3.621 8.228 1.00 0.00 N ATOM 1722 CA ALA A 113 7.620 3.155 9.588 1.00 0.00 C ATOM 1723 C ALA A 113 6.438 2.205 9.663 1.00 0.00 C ATOM 1724 O ALA A 113 6.512 1.141 10.273 1.00 0.00 O ATOM 1725 CB ALA A 113 7.391 4.335 10.510 1.00 0.00 C ATOM 0 H ALA A 113 7.664 4.623 8.103 1.00 0.00 H new ATOM 0 HA ALA A 113 8.518 2.623 9.902 1.00 0.00 H new ATOM 0 HB1 ALA A 113 7.252 3.978 11.530 1.00 0.00 H new ATOM 0 HB2 ALA A 113 8.255 4.999 10.472 1.00 0.00 H new ATOM 0 HB3 ALA A 113 6.501 4.878 10.191 1.00 0.00 H new ATOM 1731 N LEU A 114 5.341 2.614 9.042 1.00 0.00 N ATOM 1732 CA LEU A 114 4.126 1.822 9.037 1.00 0.00 C ATOM 1733 C LEU A 114 4.209 0.654 8.058 1.00 0.00 C ATOM 1734 O LEU A 114 3.466 -0.318 8.187 1.00 0.00 O ATOM 1735 CB LEU A 114 2.926 2.712 8.700 1.00 0.00 C ATOM 1736 CG LEU A 114 1.557 2.030 8.789 1.00 0.00 C ATOM 1737 CD1 LEU A 114 1.129 1.856 10.237 1.00 0.00 C ATOM 1738 CD2 LEU A 114 0.518 2.838 8.033 1.00 0.00 C ATOM 0 H LEU A 114 5.271 3.495 8.533 1.00 0.00 H new ATOM 0 HA LEU A 114 4.000 1.401 10.035 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.930 3.569 9.373 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.055 3.100 7.689 1.00 0.00 H new ATOM 0 HG LEU A 114 1.640 1.042 8.335 1.00 0.00 H new ATOM 0 HD11 LEU A 114 0.154 1.370 10.272 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.861 1.241 10.761 1.00 0.00 H new ATOM 0 HD13 LEU A 114 1.065 2.832 10.717 1.00 0.00 H new ATOM 0 HD21 LEU A 114 -0.450 2.343 8.104 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.448 3.836 8.466 1.00 0.00 H new ATOM 0 HD23 LEU A 114 0.810 2.916 6.986 1.00 0.00 H new ATOM 1750 N VAL A 115 5.104 0.744 7.074 1.00 0.00 N ATOM 1751 CA VAL A 115 5.239 -0.333 6.097 1.00 0.00 C ATOM 1752 C VAL A 115 6.056 -1.500 6.651 1.00 0.00 C ATOM 1753 O VAL A 115 5.654 -2.657 6.540 1.00 0.00 O ATOM 1754 CB VAL A 115 5.838 0.145 4.752 1.00 0.00 C ATOM 1755 CG1 VAL A 115 7.341 0.352 4.844 1.00 0.00 C ATOM 1756 CG2 VAL A 115 5.506 -0.847 3.643 1.00 0.00 C ATOM 0 H VAL A 115 5.734 1.534 6.934 1.00 0.00 H new ATOM 0 HA VAL A 115 4.225 -0.679 5.898 1.00 0.00 H new ATOM 0 HB VAL A 115 5.388 1.109 4.515 1.00 0.00 H new ATOM 0 HG11 VAL A 115 7.722 0.687 3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 115 7.559 1.105 5.602 1.00 0.00 H new ATOM 0 HG13 VAL A 115 7.822 -0.587 5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 115 5.933 -0.498 2.703 1.00 0.00 H new ATOM 0 HG22 VAL A 115 5.923 -1.823 3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.424 -0.930 3.541 1.00 0.00 H new ATOM 1766 N GLU A 116 7.203 -1.187 7.246 1.00 0.00 N ATOM 1767 CA GLU A 116 8.074 -2.208 7.814 1.00 0.00 C ATOM 1768 C GLU A 116 7.390 -2.921 8.974 1.00 0.00 C ATOM 1769 O GLU A 116 7.473 -4.145 9.099 1.00 0.00 O ATOM 1770 CB GLU A 116 9.388 -1.577 8.278 1.00 0.00 C ATOM 1771 CG GLU A 116 10.245 -1.068 7.131 1.00 0.00 C ATOM 1772 CD GLU A 116 11.385 -0.185 7.596 1.00 0.00 C ATOM 1773 OE1 GLU A 116 11.208 0.528 8.607 1.00 0.00 O ATOM 1774 OE2 GLU A 116 12.453 -0.207 6.952 1.00 0.00 O ATOM 0 H GLU A 116 7.550 -0.233 7.347 1.00 0.00 H new ATOM 0 HA GLU A 116 8.289 -2.946 7.042 1.00 0.00 H new ATOM 0 HB2 GLU A 116 9.168 -0.750 8.953 1.00 0.00 H new ATOM 0 HB3 GLU A 116 9.955 -2.312 8.848 1.00 0.00 H new ATOM 0 HG2 GLU A 116 10.651 -1.918 6.582 1.00 0.00 H new ATOM 0 HG3 GLU A 116 9.619 -0.509 6.436 1.00 0.00 H new ATOM 1781 N ARG A 117 6.706 -2.155 9.815 1.00 0.00 N ATOM 1782 CA ARG A 117 6.001 -2.722 10.956 1.00 0.00 C ATOM 1783 C ARG A 117 4.918 -3.692 10.495 1.00 0.00 C ATOM 1784 O ARG A 117 4.517 -4.588 11.238 1.00 0.00 O ATOM 1785 CB ARG A 117 5.394 -1.612 11.819 1.00 0.00 C ATOM 1786 CG ARG A 117 6.437 -0.721 12.476 1.00 0.00 C ATOM 1787 CD ARG A 117 7.284 -1.489 13.480 1.00 0.00 C ATOM 1788 NE ARG A 117 6.568 -1.737 14.729 1.00 0.00 N ATOM 1789 CZ ARG A 117 7.145 -2.212 15.829 1.00 0.00 C ATOM 1790 NH1 ARG A 117 8.445 -2.482 15.841 1.00 0.00 N ATOM 1791 NH2 ARG A 117 6.420 -2.415 16.922 1.00 0.00 N ATOM 0 H ARG A 117 6.625 -1.142 9.728 1.00 0.00 H new ATOM 0 HA ARG A 117 6.720 -3.275 11.560 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.739 -0.998 11.201 1.00 0.00 H new ATOM 0 HB3 ARG A 117 4.772 -2.062 12.593 1.00 0.00 H new ATOM 0 HG2 ARG A 117 7.082 -0.291 11.710 1.00 0.00 H new ATOM 0 HG3 ARG A 117 5.941 0.109 12.979 1.00 0.00 H new ATOM 0 HD2 ARG A 117 7.590 -2.440 13.043 1.00 0.00 H new ATOM 0 HD3 ARG A 117 8.194 -0.927 13.690 1.00 0.00 H new ATOM 0 HE ARG A 117 5.569 -1.534 14.759 1.00 0.00 H new ATOM 0 HH11 ARG A 117 9.006 -2.325 15.004 1.00 0.00 H new ATOM 0 HH12 ARG A 117 8.882 -2.846 16.687 1.00 0.00 H new ATOM 0 HH21 ARG A 117 5.421 -2.207 16.918 1.00 0.00 H new ATOM 0 HH22 ARG A 117 6.861 -2.779 17.766 1.00 0.00 H new ATOM 1805 N ALA A 118 4.457 -3.513 9.261 1.00 0.00 N ATOM 1806 CA ALA A 118 3.433 -4.377 8.694 1.00 0.00 C ATOM 1807 C ALA A 118 3.998 -5.755 8.377 1.00 0.00 C ATOM 1808 O ALA A 118 3.421 -6.774 8.754 1.00 0.00 O ATOM 1809 CB ALA A 118 2.842 -3.748 7.440 1.00 0.00 C ATOM 0 H ALA A 118 4.779 -2.775 8.635 1.00 0.00 H new ATOM 0 HA ALA A 118 2.642 -4.495 9.434 1.00 0.00 H new ATOM 0 HB1 ALA A 118 2.078 -4.407 7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 118 2.395 -2.786 7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 118 3.630 -3.600 6.701 1.00 0.00 H new ATOM 1815 N ILE A 119 5.133 -5.777 7.687 1.00 0.00 N ATOM 1816 CA ILE A 119 5.781 -7.027 7.324 1.00 0.00 C ATOM 1817 C ILE A 119 6.384 -7.695 8.549 1.00 0.00 C ATOM 1818 O ILE A 119 6.457 -8.921 8.635 1.00 0.00 O ATOM 1819 CB ILE A 119 6.890 -6.797 6.281 1.00 0.00 C ATOM 1820 CG1 ILE A 119 6.398 -5.892 5.153 1.00 0.00 C ATOM 1821 CG2 ILE A 119 7.382 -8.121 5.717 1.00 0.00 C ATOM 1822 CD1 ILE A 119 7.455 -4.929 4.673 1.00 0.00 C ATOM 0 H ILE A 119 5.622 -4.941 7.368 1.00 0.00 H new ATOM 0 HA ILE A 119 5.017 -7.675 6.894 1.00 0.00 H new ATOM 0 HB ILE A 119 7.722 -6.302 6.781 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.068 -6.508 4.317 1.00 0.00 H new ATOM 0 HG13 ILE A 119 5.530 -5.330 5.497 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.165 -7.935 4.982 1.00 0.00 H new ATOM 0 HG22 ILE A 119 7.781 -8.735 6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 119 6.553 -8.644 5.239 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.048 -4.312 3.872 1.00 0.00 H new ATOM 0 HD12 ILE A 119 7.768 -4.291 5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 119 8.314 -5.487 4.301 1.00 0.00 H new ATOM 1834 N SER A 120 6.816 -6.872 9.492 1.00 0.00 N ATOM 1835 CA SER A 120 7.422 -7.358 10.721 1.00 0.00 C ATOM 1836 C SER A 120 6.382 -8.014 11.625 1.00 0.00 C ATOM 1837 O SER A 120 6.592 -9.116 12.131 1.00 0.00 O ATOM 1838 CB SER A 120 8.102 -6.207 11.463 1.00 0.00 C ATOM 1839 OG SER A 120 9.244 -6.657 12.172 1.00 0.00 O ATOM 0 H SER A 120 6.757 -5.856 9.428 1.00 0.00 H new ATOM 0 HA SER A 120 8.167 -8.108 10.456 1.00 0.00 H new ATOM 0 HB2 SER A 120 8.394 -5.434 10.752 1.00 0.00 H new ATOM 0 HB3 SER A 120 7.396 -5.751 12.157 1.00 0.00 H new ATOM 0 HG SER A 120 9.660 -5.901 12.636 1.00 0.00 H new ATOM 1845 N HIS A 121 5.264 -7.325 11.829 1.00 0.00 N ATOM 1846 CA HIS A 121 4.194 -7.836 12.679 1.00 0.00 C ATOM 1847 C HIS A 121 3.697 -9.190 12.189 1.00 0.00 C ATOM 1848 O HIS A 121 3.192 -9.997 12.966 1.00 0.00 O ATOM 1849 CB HIS A 121 3.034 -6.839 12.725 1.00 0.00 C ATOM 1850 CG HIS A 121 3.256 -5.705 13.676 1.00 0.00 C ATOM 1851 ND1 HIS A 121 4.510 -5.301 14.089 1.00 0.00 N ATOM 1852 CD2 HIS A 121 2.377 -4.882 14.295 1.00 0.00 C ATOM 1853 CE1 HIS A 121 4.391 -4.283 14.922 1.00 0.00 C ATOM 1854 NE2 HIS A 121 3.106 -4.009 15.062 1.00 0.00 N ATOM 0 H HIS A 121 5.075 -6.411 11.417 1.00 0.00 H new ATOM 0 HA HIS A 121 4.597 -7.966 13.683 1.00 0.00 H new ATOM 0 HB2 HIS A 121 2.872 -6.437 11.725 1.00 0.00 H new ATOM 0 HB3 HIS A 121 2.123 -7.367 13.008 1.00 0.00 H new ATOM 0 HD2 HIS A 121 1.301 -4.908 14.202 1.00 0.00 H new ATOM 0 HE1 HIS A 121 5.205 -3.763 15.406 1.00 0.00 H new ATOM 0 HE2 HIS A 121 2.719 -3.268 15.646 1.00 0.00 H new