USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 723 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 49 GLN : amide:sc= -0.286 K(o=-4.8,f=-5.7) USER MOD Set 1.2: A 58 MET CE :methyl -111:sc= -3.47! (180deg=-6.64!) USER MOD Set 1.3: A 61 CYS SG : rot -70:sc= -1.06 USER MOD Set 2.1: A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.2: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ -112:sc= 0.032 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.00156 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= -0.924 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 MET CE :methyl -169:sc= -0.727 (180deg=-1.56) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0726 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.052 X(o=-0.052,f=-0.36) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-5.8!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot -15:sc= 0.574 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0802 USER MOD Single : A 62 MET CE :methyl 176:sc= 0 (180deg=-0.0215) USER MOD Single : A 63 GLN : amide:sc=-0.00977 X(o=-0.0098,f=-0.41) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -2.25 K(o=-2.2,f=-5.9!) USER MOD Single : A 73 LYS NZ :NH3+ 164:sc=-0.00983 (180deg=-0.19) USER MOD Single : A 77 ASN : amide:sc= -0.152 K(o=-0.15,f=-1.2) USER MOD Single : A 80 THR OG1 : rot 126:sc= 0.524 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 138:sc= -0.932 (180deg=-2.68!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 44:sc= 1.3 USER MOD Single : A 87 GLN : amide:sc= -0.0639 K(o=-0.064,f=-2!) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.372 16.446 -6.331 1.00 0.00 N ATOM 2 CA GLY A 1 23.380 15.488 -6.782 1.00 0.00 C ATOM 3 C GLY A 1 22.497 16.042 -7.883 1.00 0.00 C ATOM 4 O GLY A 1 22.291 17.253 -7.972 1.00 0.00 O ATOM 0 H1 GLY A 1 25.320 16.119 -6.606 1.00 0.00 H new ATOM 0 H2 GLY A 1 24.185 17.371 -6.767 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.323 16.535 -5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.883 14.590 -7.141 1.00 0.00 H new ATOM 0 HA3 GLY A 1 22.758 15.189 -5.938 1.00 0.00 H new ATOM 8 N SER A 2 21.976 15.155 -8.725 1.00 0.00 N ATOM 9 CA SER A 2 21.115 15.564 -9.829 1.00 0.00 C ATOM 10 C SER A 2 19.698 15.030 -9.639 1.00 0.00 C ATOM 11 O SER A 2 19.474 13.819 -9.639 1.00 0.00 O ATOM 12 CB SER A 2 21.685 15.067 -11.159 1.00 0.00 C ATOM 13 OG SER A 2 22.891 15.739 -11.479 1.00 0.00 O ATOM 0 H SER A 2 22.135 14.149 -8.664 1.00 0.00 H new ATOM 0 HA SER A 2 21.076 16.653 -9.843 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.867 13.994 -11.102 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.955 15.225 -11.953 1.00 0.00 H new ATOM 0 HG SER A 2 23.236 15.403 -12.332 1.00 0.00 H new ATOM 19 N SER A 3 18.746 15.942 -9.477 1.00 0.00 N ATOM 20 CA SER A 3 17.351 15.564 -9.282 1.00 0.00 C ATOM 21 C SER A 3 16.606 15.532 -10.613 1.00 0.00 C ATOM 22 O SER A 3 17.129 15.960 -11.641 1.00 0.00 O ATOM 23 CB SER A 3 16.665 16.541 -8.325 1.00 0.00 C ATOM 24 OG SER A 3 16.400 17.778 -8.962 1.00 0.00 O ATOM 0 H SER A 3 18.915 16.948 -9.477 1.00 0.00 H new ATOM 0 HA SER A 3 17.328 14.564 -8.848 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.732 16.107 -7.964 1.00 0.00 H new ATOM 0 HB3 SER A 3 17.298 16.706 -7.453 1.00 0.00 H new ATOM 0 HG SER A 3 15.960 18.384 -8.330 1.00 0.00 H new ATOM 30 N GLY A 4 15.379 15.019 -10.585 1.00 0.00 N ATOM 31 CA GLY A 4 14.581 14.939 -11.795 1.00 0.00 C ATOM 32 C GLY A 4 13.409 13.988 -11.654 1.00 0.00 C ATOM 33 O GLY A 4 13.384 12.927 -12.279 1.00 0.00 O ATOM 0 H GLY A 4 14.924 14.658 -9.747 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.211 15.932 -12.049 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.212 14.613 -12.622 1.00 0.00 H new ATOM 37 N SER A 5 12.437 14.366 -10.831 1.00 0.00 N ATOM 38 CA SER A 5 11.259 13.536 -10.606 1.00 0.00 C ATOM 39 C SER A 5 9.986 14.375 -10.658 1.00 0.00 C ATOM 40 O SER A 5 9.824 15.325 -9.892 1.00 0.00 O ATOM 41 CB SER A 5 11.361 12.825 -9.256 1.00 0.00 C ATOM 42 OG SER A 5 12.062 11.599 -9.376 1.00 0.00 O ATOM 0 H SER A 5 12.442 15.242 -10.308 1.00 0.00 H new ATOM 0 HA SER A 5 11.213 12.789 -11.399 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.870 13.470 -8.540 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.361 12.639 -8.863 1.00 0.00 H new ATOM 0 HG SER A 5 12.115 11.165 -8.499 1.00 0.00 H new ATOM 48 N SER A 6 9.085 14.015 -11.567 1.00 0.00 N ATOM 49 CA SER A 6 7.826 14.736 -11.722 1.00 0.00 C ATOM 50 C SER A 6 6.656 13.904 -11.206 1.00 0.00 C ATOM 51 O SER A 6 6.822 12.743 -10.832 1.00 0.00 O ATOM 52 CB SER A 6 7.600 15.099 -13.191 1.00 0.00 C ATOM 53 OG SER A 6 8.219 16.333 -13.512 1.00 0.00 O ATOM 0 H SER A 6 9.203 13.229 -12.207 1.00 0.00 H new ATOM 0 HA SER A 6 7.885 15.652 -11.133 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.000 14.311 -13.829 1.00 0.00 H new ATOM 0 HB3 SER A 6 6.531 15.161 -13.393 1.00 0.00 H new ATOM 0 HG SER A 6 8.062 16.542 -14.456 1.00 0.00 H new ATOM 59 N GLY A 7 5.471 14.506 -11.190 1.00 0.00 N ATOM 60 CA GLY A 7 4.290 13.807 -10.718 1.00 0.00 C ATOM 61 C GLY A 7 4.128 13.891 -9.214 1.00 0.00 C ATOM 62 O GLY A 7 4.422 12.935 -8.497 1.00 0.00 O ATOM 0 H GLY A 7 5.308 15.465 -11.495 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.407 14.227 -11.199 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.348 12.760 -11.016 1.00 0.00 H new ATOM 66 N MET A 8 3.662 15.039 -8.733 1.00 0.00 N ATOM 67 CA MET A 8 3.463 15.245 -7.303 1.00 0.00 C ATOM 68 C MET A 8 2.730 14.060 -6.681 1.00 0.00 C ATOM 69 O MET A 8 1.824 13.491 -7.288 1.00 0.00 O ATOM 70 CB MET A 8 2.675 16.533 -7.056 1.00 0.00 C ATOM 71 CG MET A 8 2.274 16.730 -5.603 1.00 0.00 C ATOM 72 SD MET A 8 1.097 18.078 -5.385 1.00 0.00 S ATOM 73 CE MET A 8 -0.172 17.266 -4.417 1.00 0.00 C ATOM 0 H MET A 8 3.415 15.841 -9.313 1.00 0.00 H new ATOM 0 HA MET A 8 4.443 15.332 -6.834 1.00 0.00 H new ATOM 0 HB2 MET A 8 3.275 17.384 -7.377 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.777 16.525 -7.674 1.00 0.00 H new ATOM 0 HG2 MET A 8 1.838 15.807 -5.222 1.00 0.00 H new ATOM 0 HG3 MET A 8 3.165 16.931 -5.008 1.00 0.00 H new ATOM 0 HE1 MET A 8 -0.973 17.973 -4.201 1.00 0.00 H new ATOM 0 HE2 MET A 8 -0.574 16.423 -4.979 1.00 0.00 H new ATOM 0 HE3 MET A 8 0.258 16.907 -3.482 1.00 0.00 H new ATOM 83 N ALA A 9 3.131 13.694 -5.468 1.00 0.00 N ATOM 84 CA ALA A 9 2.511 12.578 -4.764 1.00 0.00 C ATOM 85 C ALA A 9 2.297 12.909 -3.290 1.00 0.00 C ATOM 86 O ALA A 9 2.822 13.902 -2.785 1.00 0.00 O ATOM 87 CB ALA A 9 3.363 11.325 -4.907 1.00 0.00 C ATOM 0 H ALA A 9 3.882 14.154 -4.953 1.00 0.00 H new ATOM 0 HA ALA A 9 1.535 12.394 -5.214 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.888 10.500 -4.376 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.461 11.070 -5.962 1.00 0.00 H new ATOM 0 HB3 ALA A 9 4.351 11.507 -4.485 1.00 0.00 H new ATOM 93 N LEU A 10 1.524 12.073 -2.607 1.00 0.00 N ATOM 94 CA LEU A 10 1.241 12.277 -1.191 1.00 0.00 C ATOM 95 C LEU A 10 1.783 11.123 -0.354 1.00 0.00 C ATOM 96 O LEU A 10 2.258 11.323 0.763 1.00 0.00 O ATOM 97 CB LEU A 10 -0.266 12.420 -0.967 1.00 0.00 C ATOM 98 CG LEU A 10 -0.690 13.278 0.225 1.00 0.00 C ATOM 99 CD1 LEU A 10 -0.063 12.756 1.508 1.00 0.00 C ATOM 100 CD2 LEU A 10 -0.309 14.734 -0.004 1.00 0.00 C ATOM 0 H LEU A 10 1.082 11.247 -3.011 1.00 0.00 H new ATOM 0 HA LEU A 10 1.738 13.194 -0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.708 12.843 -1.869 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -0.690 11.424 -0.841 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.774 13.218 0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.376 13.379 2.346 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.386 11.729 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.023 12.785 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.618 15.330 0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.771 14.812 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.806 15.104 -0.901 1.00 0.00 H new ATOM 112 N GLU A 11 1.710 9.915 -0.905 1.00 0.00 N ATOM 113 CA GLU A 11 2.196 8.729 -0.209 1.00 0.00 C ATOM 114 C GLU A 11 3.075 7.883 -1.125 1.00 0.00 C ATOM 115 O GLU A 11 2.577 7.066 -1.899 1.00 0.00 O ATOM 116 CB GLU A 11 1.020 7.893 0.302 1.00 0.00 C ATOM 117 CG GLU A 11 0.361 8.466 1.546 1.00 0.00 C ATOM 118 CD GLU A 11 1.361 9.086 2.503 1.00 0.00 C ATOM 119 OE1 GLU A 11 2.419 8.465 2.739 1.00 0.00 O ATOM 120 OE2 GLU A 11 1.086 10.190 3.016 1.00 0.00 O ATOM 0 H GLU A 11 1.320 9.732 -1.829 1.00 0.00 H new ATOM 0 HA GLU A 11 2.796 9.057 0.640 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.274 7.809 -0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.370 6.884 0.518 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -0.370 9.219 1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.186 7.675 2.060 1.00 0.00 H new ATOM 127 N GLN A 12 4.385 8.085 -1.030 1.00 0.00 N ATOM 128 CA GLN A 12 5.334 7.342 -1.851 1.00 0.00 C ATOM 129 C GLN A 12 5.486 5.911 -1.347 1.00 0.00 C ATOM 130 O GLN A 12 4.803 5.495 -0.410 1.00 0.00 O ATOM 131 CB GLN A 12 6.695 8.041 -1.854 1.00 0.00 C ATOM 132 CG GLN A 12 6.617 9.524 -2.179 1.00 0.00 C ATOM 133 CD GLN A 12 7.919 10.070 -2.731 1.00 0.00 C ATOM 134 OE1 GLN A 12 8.629 10.815 -2.055 1.00 0.00 O ATOM 135 NE2 GLN A 12 8.239 9.701 -3.966 1.00 0.00 N ATOM 0 H GLN A 12 4.813 8.757 -0.393 1.00 0.00 H new ATOM 0 HA GLN A 12 4.947 7.310 -2.870 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.160 7.916 -0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 12 7.344 7.552 -2.581 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.821 9.692 -2.904 1.00 0.00 H new ATOM 0 HG3 GLN A 12 6.349 10.076 -1.278 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.620 9.082 -4.490 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.103 10.037 -4.391 1.00 0.00 H new ATOM 144 N THR A 13 6.384 5.159 -1.976 1.00 0.00 N ATOM 145 CA THR A 13 6.624 3.774 -1.592 1.00 0.00 C ATOM 146 C THR A 13 7.551 3.690 -0.385 1.00 0.00 C ATOM 147 O THR A 13 7.778 2.610 0.163 1.00 0.00 O ATOM 148 CB THR A 13 7.237 2.968 -2.753 1.00 0.00 C ATOM 149 OG1 THR A 13 8.373 3.660 -3.284 1.00 0.00 O ATOM 150 CG2 THR A 13 6.213 2.743 -3.856 1.00 0.00 C ATOM 0 H THR A 13 6.957 5.486 -2.754 1.00 0.00 H new ATOM 0 HA THR A 13 5.656 3.346 -1.333 1.00 0.00 H new ATOM 0 HB THR A 13 7.551 1.998 -2.367 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.758 3.140 -4.020 1.00 0.00 H new ATOM 0 HG21 THR A 13 6.669 2.172 -4.665 1.00 0.00 H new ATOM 0 HG22 THR A 13 5.363 2.190 -3.456 1.00 0.00 H new ATOM 0 HG23 THR A 13 5.873 3.705 -4.238 1.00 0.00 H new ATOM 158 N LEU A 14 8.085 4.835 0.025 1.00 0.00 N ATOM 159 CA LEU A 14 8.988 4.891 1.170 1.00 0.00 C ATOM 160 C LEU A 14 8.283 5.469 2.392 1.00 0.00 C ATOM 161 O LEU A 14 8.247 4.846 3.454 1.00 0.00 O ATOM 162 CB LEU A 14 10.219 5.734 0.832 1.00 0.00 C ATOM 163 CG LEU A 14 11.100 5.210 -0.303 1.00 0.00 C ATOM 164 CD1 LEU A 14 11.854 6.353 -0.965 1.00 0.00 C ATOM 165 CD2 LEU A 14 12.070 4.159 0.216 1.00 0.00 C ATOM 0 H LEU A 14 7.909 5.737 -0.418 1.00 0.00 H new ATOM 0 HA LEU A 14 9.303 3.874 1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.886 6.739 0.573 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.831 5.823 1.729 1.00 0.00 H new ATOM 0 HG LEU A 14 10.457 4.745 -1.050 1.00 0.00 H new ATOM 0 HD11 LEU A 14 12.476 5.961 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 14 11.142 7.071 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 14 12.486 6.848 -0.227 1.00 0.00 H new ATOM 0 HD21 LEU A 14 12.689 3.798 -0.605 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.707 4.599 0.983 1.00 0.00 H new ATOM 0 HD23 LEU A 14 11.510 3.326 0.642 1.00 0.00 H new ATOM 177 N LYS A 15 7.719 6.662 2.235 1.00 0.00 N ATOM 178 CA LYS A 15 7.011 7.323 3.325 1.00 0.00 C ATOM 179 C LYS A 15 6.074 6.351 4.034 1.00 0.00 C ATOM 180 O LYS A 15 5.798 6.495 5.225 1.00 0.00 O ATOM 181 CB LYS A 15 6.216 8.518 2.792 1.00 0.00 C ATOM 182 CG LYS A 15 7.038 9.788 2.666 1.00 0.00 C ATOM 183 CD LYS A 15 6.352 10.811 1.776 1.00 0.00 C ATOM 184 CE LYS A 15 6.745 12.231 2.153 1.00 0.00 C ATOM 185 NZ LYS A 15 7.978 12.672 1.443 1.00 0.00 N ATOM 0 H LYS A 15 7.739 7.191 1.363 1.00 0.00 H new ATOM 0 HA LYS A 15 7.750 7.677 4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.804 8.263 1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.371 8.706 3.455 1.00 0.00 H new ATOM 0 HG2 LYS A 15 7.201 10.216 3.655 1.00 0.00 H new ATOM 0 HG3 LYS A 15 8.019 9.548 2.257 1.00 0.00 H new ATOM 0 HD2 LYS A 15 6.615 10.624 0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 15 5.271 10.698 1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 15 5.926 12.910 1.915 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.905 12.290 3.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.213 13.645 1.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 8.766 12.039 1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 7.817 12.640 0.416 1.00 0.00 H new ATOM 199 N LYS A 16 5.588 5.359 3.295 1.00 0.00 N ATOM 200 CA LYS A 16 4.684 4.360 3.853 1.00 0.00 C ATOM 201 C LYS A 16 5.425 3.429 4.808 1.00 0.00 C ATOM 202 O LYS A 16 6.488 2.903 4.478 1.00 0.00 O ATOM 203 CB LYS A 16 4.035 3.546 2.731 1.00 0.00 C ATOM 204 CG LYS A 16 2.713 2.912 3.127 1.00 0.00 C ATOM 205 CD LYS A 16 1.949 2.411 1.912 1.00 0.00 C ATOM 206 CE LYS A 16 1.185 3.536 1.232 1.00 0.00 C ATOM 207 NZ LYS A 16 0.335 3.034 0.117 1.00 0.00 N ATOM 0 H LYS A 16 5.805 5.226 2.307 1.00 0.00 H new ATOM 0 HA LYS A 16 3.907 4.881 4.412 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.874 4.194 1.870 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.724 2.763 2.416 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.896 2.083 3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.106 3.640 3.665 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.645 1.962 1.203 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.253 1.629 2.215 1.00 0.00 H new ATOM 0 HE2 LYS A 16 0.559 4.045 1.965 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.890 4.273 0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.169 3.831 -0.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.935 2.571 -0.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.355 2.349 0.487 1.00 0.00 H new ATOM 221 N ASP A 17 4.856 3.229 5.992 1.00 0.00 N ATOM 222 CA ASP A 17 5.461 2.359 6.994 1.00 0.00 C ATOM 223 C ASP A 17 5.108 0.899 6.730 1.00 0.00 C ATOM 224 O ASP A 17 4.026 0.436 7.091 1.00 0.00 O ATOM 225 CB ASP A 17 5.001 2.763 8.395 1.00 0.00 C ATOM 226 CG ASP A 17 5.997 2.369 9.468 1.00 0.00 C ATOM 227 OD1 ASP A 17 6.838 1.485 9.200 1.00 0.00 O ATOM 228 OD2 ASP A 17 5.936 2.943 10.575 1.00 0.00 O ATOM 0 H ASP A 17 3.977 3.658 6.281 1.00 0.00 H new ATOM 0 HA ASP A 17 6.543 2.469 6.930 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.846 3.841 8.426 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.039 2.296 8.607 1.00 0.00 H new ATOM 233 N TRP A 18 6.027 0.179 6.097 1.00 0.00 N ATOM 234 CA TRP A 18 5.812 -1.229 5.783 1.00 0.00 C ATOM 235 C TRP A 18 5.986 -2.096 7.025 1.00 0.00 C ATOM 236 O TRP A 18 5.276 -3.085 7.207 1.00 0.00 O ATOM 237 CB TRP A 18 6.781 -1.683 4.690 1.00 0.00 C ATOM 238 CG TRP A 18 6.755 -0.809 3.473 1.00 0.00 C ATOM 239 CD1 TRP A 18 7.772 -0.030 3.001 1.00 0.00 C ATOM 240 CD2 TRP A 18 5.656 -0.625 2.574 1.00 0.00 C ATOM 241 NE1 TRP A 18 7.372 0.628 1.863 1.00 0.00 N ATOM 242 CE2 TRP A 18 6.078 0.280 1.580 1.00 0.00 C ATOM 243 CE3 TRP A 18 4.357 -1.137 2.511 1.00 0.00 C ATOM 244 CZ2 TRP A 18 5.246 0.682 0.538 1.00 0.00 C ATOM 245 CZ3 TRP A 18 3.533 -0.737 1.476 1.00 0.00 C ATOM 246 CH2 TRP A 18 3.980 0.164 0.501 1.00 0.00 C ATOM 0 H TRP A 18 6.928 0.547 5.791 1.00 0.00 H new ATOM 0 HA TRP A 18 4.790 -1.343 5.423 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.793 -1.699 5.095 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.537 -2.705 4.400 1.00 0.00 H new ATOM 0 HD1 TRP A 18 8.748 0.056 3.455 1.00 0.00 H new ATOM 0 HE1 TRP A 18 7.946 1.271 1.318 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.004 -1.833 3.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 5.588 1.378 -0.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.527 -1.126 1.418 1.00 0.00 H new ATOM 0 HH2 TRP A 18 3.312 0.456 -0.296 1.00 0.00 H new ATOM 257 N TYR A 19 6.933 -1.719 7.877 1.00 0.00 N ATOM 258 CA TYR A 19 7.200 -2.464 9.101 1.00 0.00 C ATOM 259 C TYR A 19 5.975 -2.476 10.010 1.00 0.00 C ATOM 260 O TYR A 19 5.901 -3.254 10.962 1.00 0.00 O ATOM 261 CB TYR A 19 8.393 -1.857 9.842 1.00 0.00 C ATOM 262 CG TYR A 19 9.725 -2.158 9.194 1.00 0.00 C ATOM 263 CD1 TYR A 19 10.085 -3.461 8.873 1.00 0.00 C ATOM 264 CD2 TYR A 19 10.624 -1.139 8.903 1.00 0.00 C ATOM 265 CE1 TYR A 19 11.302 -3.740 8.281 1.00 0.00 C ATOM 266 CE2 TYR A 19 11.842 -1.409 8.310 1.00 0.00 C ATOM 267 CZ TYR A 19 12.177 -2.711 8.002 1.00 0.00 C ATOM 268 OH TYR A 19 13.389 -2.985 7.412 1.00 0.00 O ATOM 0 H TYR A 19 7.528 -0.902 7.742 1.00 0.00 H new ATOM 0 HA TYR A 19 7.436 -3.492 8.826 1.00 0.00 H new ATOM 0 HB2 TYR A 19 8.263 -0.776 9.900 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.403 -2.232 10.865 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.402 -4.269 9.090 1.00 0.00 H new ATOM 0 HD2 TYR A 19 10.366 -0.119 9.145 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.567 -4.758 8.038 1.00 0.00 H new ATOM 0 HE2 TYR A 19 12.528 -0.605 8.089 1.00 0.00 H new ATOM 0 HH TYR A 19 13.886 -2.150 7.282 1.00 0.00 H new ATOM 278 N SER A 20 5.014 -1.609 9.709 1.00 0.00 N ATOM 279 CA SER A 20 3.792 -1.516 10.500 1.00 0.00 C ATOM 280 C SER A 20 2.664 -2.311 9.851 1.00 0.00 C ATOM 281 O SER A 20 1.825 -2.893 10.539 1.00 0.00 O ATOM 282 CB SER A 20 3.374 -0.053 10.661 1.00 0.00 C ATOM 283 OG SER A 20 2.400 0.089 11.681 1.00 0.00 O ATOM 0 H SER A 20 5.058 -0.961 8.923 1.00 0.00 H new ATOM 0 HA SER A 20 3.992 -1.939 11.484 1.00 0.00 H new ATOM 0 HB2 SER A 20 4.247 0.554 10.900 1.00 0.00 H new ATOM 0 HB3 SER A 20 2.975 0.321 9.718 1.00 0.00 H new ATOM 0 HG SER A 20 2.150 1.033 11.766 1.00 0.00 H new ATOM 289 N ILE A 21 2.650 -2.330 8.522 1.00 0.00 N ATOM 290 CA ILE A 21 1.626 -3.054 7.780 1.00 0.00 C ATOM 291 C ILE A 21 1.795 -4.561 7.937 1.00 0.00 C ATOM 292 O ILE A 21 0.817 -5.310 7.945 1.00 0.00 O ATOM 293 CB ILE A 21 1.660 -2.699 6.281 1.00 0.00 C ATOM 294 CG1 ILE A 21 1.372 -1.209 6.082 1.00 0.00 C ATOM 295 CG2 ILE A 21 0.656 -3.545 5.513 1.00 0.00 C ATOM 296 CD1 ILE A 21 1.596 -0.735 4.663 1.00 0.00 C ATOM 0 H ILE A 21 3.336 -1.852 7.938 1.00 0.00 H new ATOM 0 HA ILE A 21 0.664 -2.753 8.195 1.00 0.00 H new ATOM 0 HB ILE A 21 2.656 -2.913 5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.339 -1.006 6.366 1.00 0.00 H new ATOM 0 HG13 ILE A 21 2.007 -0.631 6.754 1.00 0.00 H new ATOM 0 HG21 ILE A 21 0.692 -3.282 4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.902 -4.600 5.633 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.346 -3.360 5.899 1.00 0.00 H new ATOM 0 HD11 ILE A 21 1.373 0.330 4.596 1.00 0.00 H new ATOM 0 HD12 ILE A 21 2.635 -0.906 4.382 1.00 0.00 H new ATOM 0 HD13 ILE A 21 0.942 -1.286 3.988 1.00 0.00 H new ATOM 308 N LEU A 22 3.042 -5.001 8.063 1.00 0.00 N ATOM 309 CA LEU A 22 3.341 -6.420 8.222 1.00 0.00 C ATOM 310 C LEU A 22 3.524 -6.776 9.694 1.00 0.00 C ATOM 311 O LEU A 22 3.971 -7.873 10.027 1.00 0.00 O ATOM 312 CB LEU A 22 4.600 -6.788 7.436 1.00 0.00 C ATOM 313 CG LEU A 22 4.553 -6.524 5.931 1.00 0.00 C ATOM 314 CD1 LEU A 22 5.950 -6.586 5.334 1.00 0.00 C ATOM 315 CD2 LEU A 22 3.633 -7.523 5.243 1.00 0.00 C ATOM 0 H LEU A 22 3.863 -4.395 8.058 1.00 0.00 H new ATOM 0 HA LEU A 22 2.498 -6.990 7.831 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.440 -6.235 7.855 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.805 -7.847 7.593 1.00 0.00 H new ATOM 0 HG LEU A 22 4.155 -5.522 5.770 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.896 -6.396 4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.581 -5.832 5.805 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.376 -7.575 5.506 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.611 -7.320 4.172 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.002 -8.534 5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.626 -7.431 5.650 1.00 0.00 H new ATOM 327 N GLY A 23 3.174 -5.841 10.572 1.00 0.00 N ATOM 328 CA GLY A 23 3.306 -6.076 11.998 1.00 0.00 C ATOM 329 C GLY A 23 4.679 -6.595 12.376 1.00 0.00 C ATOM 330 O GLY A 23 4.804 -7.479 13.223 1.00 0.00 O ATOM 0 H GLY A 23 2.801 -4.925 10.321 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.111 -5.148 12.535 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.550 -6.793 12.316 1.00 0.00 H new ATOM 334 N ALA A 24 5.712 -6.044 11.746 1.00 0.00 N ATOM 335 CA ALA A 24 7.082 -6.457 12.021 1.00 0.00 C ATOM 336 C ALA A 24 7.913 -5.288 12.540 1.00 0.00 C ATOM 337 O ALA A 24 7.416 -4.170 12.671 1.00 0.00 O ATOM 338 CB ALA A 24 7.718 -7.045 10.770 1.00 0.00 C ATOM 0 H ALA A 24 5.625 -5.311 11.042 1.00 0.00 H new ATOM 0 HA ALA A 24 7.056 -7.223 12.796 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.741 -7.349 10.991 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.144 -7.912 10.443 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.725 -6.295 9.979 1.00 0.00 H new ATOM 344 N ASP A 25 9.181 -5.555 12.834 1.00 0.00 N ATOM 345 CA ASP A 25 10.082 -4.525 13.339 1.00 0.00 C ATOM 346 C ASP A 25 11.144 -4.176 12.301 1.00 0.00 C ATOM 347 O ASP A 25 11.467 -4.970 11.417 1.00 0.00 O ATOM 348 CB ASP A 25 10.749 -4.991 14.634 1.00 0.00 C ATOM 349 CG ASP A 25 9.827 -4.882 15.832 1.00 0.00 C ATOM 350 OD1 ASP A 25 9.392 -3.755 16.146 1.00 0.00 O ATOM 351 OD2 ASP A 25 9.540 -5.926 16.455 1.00 0.00 O ATOM 0 H ASP A 25 9.608 -6.476 12.731 1.00 0.00 H new ATOM 0 HA ASP A 25 9.494 -3.631 13.545 1.00 0.00 H new ATOM 0 HB2 ASP A 25 11.072 -6.026 14.521 1.00 0.00 H new ATOM 0 HB3 ASP A 25 11.644 -4.395 14.813 1.00 0.00 H new ATOM 356 N PRO A 26 11.701 -2.961 12.409 1.00 0.00 N ATOM 357 CA PRO A 26 12.734 -2.479 11.488 1.00 0.00 C ATOM 358 C PRO A 26 14.060 -3.210 11.671 1.00 0.00 C ATOM 359 O PRO A 26 15.035 -2.930 10.974 1.00 0.00 O ATOM 360 CB PRO A 26 12.882 -1.002 11.862 1.00 0.00 C ATOM 361 CG PRO A 26 12.440 -0.925 13.283 1.00 0.00 C ATOM 362 CD PRO A 26 11.364 -1.963 13.439 1.00 0.00 C ATOM 0 HA PRO A 26 12.460 -2.643 10.446 1.00 0.00 H new ATOM 0 HB2 PRO A 26 13.913 -0.666 11.749 1.00 0.00 H new ATOM 0 HB3 PRO A 26 12.269 -0.368 11.222 1.00 0.00 H new ATOM 0 HG2 PRO A 26 13.271 -1.119 13.961 1.00 0.00 H new ATOM 0 HG3 PRO A 26 12.061 0.069 13.520 1.00 0.00 H new ATOM 0 HD2 PRO A 26 11.368 -2.399 14.438 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.372 -1.541 13.280 1.00 0.00 H new ATOM 370 N SER A 27 14.089 -4.147 12.613 1.00 0.00 N ATOM 371 CA SER A 27 15.296 -4.916 12.890 1.00 0.00 C ATOM 372 C SER A 27 15.028 -6.413 12.764 1.00 0.00 C ATOM 373 O SER A 27 15.817 -7.237 13.226 1.00 0.00 O ATOM 374 CB SER A 27 15.820 -4.596 14.291 1.00 0.00 C ATOM 375 OG SER A 27 16.710 -3.494 14.263 1.00 0.00 O ATOM 0 H SER A 27 13.290 -4.392 13.198 1.00 0.00 H new ATOM 0 HA SER A 27 16.051 -4.637 12.155 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.983 -4.375 14.954 1.00 0.00 H new ATOM 0 HB3 SER A 27 16.329 -5.468 14.700 1.00 0.00 H new ATOM 0 HG SER A 27 17.030 -3.308 15.171 1.00 0.00 H new ATOM 381 N ALA A 28 13.909 -6.756 12.135 1.00 0.00 N ATOM 382 CA ALA A 28 13.536 -8.153 11.947 1.00 0.00 C ATOM 383 C ALA A 28 14.318 -8.779 10.797 1.00 0.00 C ATOM 384 O ALA A 28 14.694 -8.097 9.846 1.00 0.00 O ATOM 385 CB ALA A 28 12.040 -8.271 11.696 1.00 0.00 C ATOM 0 H ALA A 28 13.245 -6.086 11.747 1.00 0.00 H new ATOM 0 HA ALA A 28 13.784 -8.696 12.859 1.00 0.00 H new ATOM 0 HB1 ALA A 28 11.776 -9.319 11.557 1.00 0.00 H new ATOM 0 HB2 ALA A 28 11.495 -7.869 12.550 1.00 0.00 H new ATOM 0 HB3 ALA A 28 11.776 -7.709 10.800 1.00 0.00 H new ATOM 391 N ASN A 29 14.560 -10.083 10.893 1.00 0.00 N ATOM 392 CA ASN A 29 15.299 -10.801 9.862 1.00 0.00 C ATOM 393 C ASN A 29 14.409 -11.091 8.657 1.00 0.00 C ATOM 394 O ASN A 29 13.214 -10.799 8.671 1.00 0.00 O ATOM 395 CB ASN A 29 15.859 -12.110 10.423 1.00 0.00 C ATOM 396 CG ASN A 29 16.732 -11.889 11.643 1.00 0.00 C ATOM 397 OD1 ASN A 29 16.467 -12.430 12.716 1.00 0.00 O ATOM 398 ND2 ASN A 29 17.781 -11.089 11.483 1.00 0.00 N ATOM 0 H ASN A 29 14.255 -10.663 11.674 1.00 0.00 H new ATOM 0 HA ASN A 29 16.126 -10.170 9.537 1.00 0.00 H new ATOM 0 HB2 ASN A 29 15.034 -12.772 10.685 1.00 0.00 H new ATOM 0 HB3 ASN A 29 16.440 -12.614 9.651 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.405 -10.902 12.268 1.00 0.00 H new ATOM 0 HD22 ASN A 29 17.963 -10.662 10.575 1.00 0.00 H new ATOM 405 N MET A 30 15.001 -11.668 7.616 1.00 0.00 N ATOM 406 CA MET A 30 14.261 -11.999 6.404 1.00 0.00 C ATOM 407 C MET A 30 13.369 -13.216 6.627 1.00 0.00 C ATOM 408 O MET A 30 12.235 -13.262 6.151 1.00 0.00 O ATOM 409 CB MET A 30 15.227 -12.266 5.248 1.00 0.00 C ATOM 410 CG MET A 30 14.660 -11.900 3.886 1.00 0.00 C ATOM 411 SD MET A 30 15.025 -10.198 3.415 1.00 0.00 S ATOM 412 CE MET A 30 13.446 -9.414 3.731 1.00 0.00 C ATOM 0 H MET A 30 15.990 -11.916 7.588 1.00 0.00 H new ATOM 0 HA MET A 30 13.629 -11.148 6.151 1.00 0.00 H new ATOM 0 HB2 MET A 30 16.145 -11.702 5.414 1.00 0.00 H new ATOM 0 HB3 MET A 30 15.498 -13.322 5.248 1.00 0.00 H new ATOM 0 HG2 MET A 30 15.067 -12.576 3.134 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.580 -12.046 3.895 1.00 0.00 H new ATOM 0 HE1 MET A 30 13.448 -8.409 3.309 1.00 0.00 H new ATOM 0 HE2 MET A 30 12.650 -10.000 3.270 1.00 0.00 H new ATOM 0 HE3 MET A 30 13.278 -9.356 4.806 1.00 0.00 H new ATOM 422 N SER A 31 13.888 -14.200 7.354 1.00 0.00 N ATOM 423 CA SER A 31 13.140 -15.419 7.637 1.00 0.00 C ATOM 424 C SER A 31 11.994 -15.141 8.605 1.00 0.00 C ATOM 425 O SER A 31 11.155 -16.006 8.856 1.00 0.00 O ATOM 426 CB SER A 31 14.067 -16.488 8.219 1.00 0.00 C ATOM 427 OG SER A 31 15.141 -15.899 8.931 1.00 0.00 O ATOM 0 H SER A 31 14.824 -14.177 7.758 1.00 0.00 H new ATOM 0 HA SER A 31 12.720 -15.784 6.700 1.00 0.00 H new ATOM 0 HB2 SER A 31 13.502 -17.142 8.883 1.00 0.00 H new ATOM 0 HB3 SER A 31 14.458 -17.111 7.415 1.00 0.00 H new ATOM 0 HG SER A 31 15.718 -16.603 9.294 1.00 0.00 H new ATOM 433 N ASP A 32 11.966 -13.928 9.145 1.00 0.00 N ATOM 434 CA ASP A 32 10.923 -13.534 10.085 1.00 0.00 C ATOM 435 C ASP A 32 9.885 -12.647 9.405 1.00 0.00 C ATOM 436 O ASP A 32 8.681 -12.867 9.539 1.00 0.00 O ATOM 437 CB ASP A 32 11.535 -12.800 11.280 1.00 0.00 C ATOM 438 CG ASP A 32 11.888 -13.738 12.417 1.00 0.00 C ATOM 439 OD1 ASP A 32 12.487 -14.800 12.146 1.00 0.00 O ATOM 440 OD2 ASP A 32 11.566 -13.410 13.578 1.00 0.00 O ATOM 0 H ASP A 32 12.653 -13.200 8.948 1.00 0.00 H new ATOM 0 HA ASP A 32 10.426 -14.438 10.438 1.00 0.00 H new ATOM 0 HB2 ASP A 32 12.432 -12.271 10.957 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.833 -12.047 11.639 1.00 0.00 H new ATOM 445 N LEU A 33 10.359 -11.643 8.675 1.00 0.00 N ATOM 446 CA LEU A 33 9.472 -10.721 7.973 1.00 0.00 C ATOM 447 C LEU A 33 8.540 -11.475 7.030 1.00 0.00 C ATOM 448 O LEU A 33 7.340 -11.202 6.977 1.00 0.00 O ATOM 449 CB LEU A 33 10.290 -9.694 7.188 1.00 0.00 C ATOM 450 CG LEU A 33 11.008 -8.631 8.019 1.00 0.00 C ATOM 451 CD1 LEU A 33 12.194 -8.066 7.253 1.00 0.00 C ATOM 452 CD2 LEU A 33 10.046 -7.520 8.412 1.00 0.00 C ATOM 0 H LEU A 33 11.353 -11.447 8.554 1.00 0.00 H new ATOM 0 HA LEU A 33 8.865 -10.202 8.715 1.00 0.00 H new ATOM 0 HB2 LEU A 33 11.034 -10.227 6.596 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.626 -9.190 6.486 1.00 0.00 H new ATOM 0 HG LEU A 33 11.380 -9.100 8.930 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.693 -7.311 7.860 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.895 -8.869 7.024 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.845 -7.613 6.325 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.575 -6.773 9.003 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.643 -7.053 7.513 1.00 0.00 H new ATOM 0 HD23 LEU A 33 9.230 -7.937 9.002 1.00 0.00 H new ATOM 464 N LYS A 34 9.098 -12.425 6.289 1.00 0.00 N ATOM 465 CA LYS A 34 8.317 -13.222 5.350 1.00 0.00 C ATOM 466 C LYS A 34 7.139 -13.890 6.051 1.00 0.00 C ATOM 467 O LYS A 34 5.994 -13.761 5.618 1.00 0.00 O ATOM 468 CB LYS A 34 9.201 -14.284 4.692 1.00 0.00 C ATOM 469 CG LYS A 34 8.746 -14.674 3.296 1.00 0.00 C ATOM 470 CD LYS A 34 9.865 -15.336 2.510 1.00 0.00 C ATOM 471 CE LYS A 34 9.878 -16.842 2.719 1.00 0.00 C ATOM 472 NZ LYS A 34 11.029 -17.489 2.031 1.00 0.00 N ATOM 0 H LYS A 34 10.089 -12.663 6.320 1.00 0.00 H new ATOM 0 HA LYS A 34 7.928 -12.554 4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.224 -13.912 4.641 1.00 0.00 H new ATOM 0 HB3 LYS A 34 9.216 -15.173 5.322 1.00 0.00 H new ATOM 0 HG2 LYS A 34 7.897 -15.354 3.366 1.00 0.00 H new ATOM 0 HG3 LYS A 34 8.401 -13.788 2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.745 -15.116 1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.823 -14.917 2.816 1.00 0.00 H new ATOM 0 HE2 LYS A 34 9.924 -17.060 3.786 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.946 -17.268 2.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.001 -18.515 2.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.972 -17.303 1.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.919 -17.101 2.404 1.00 0.00 H new ATOM 486 N GLN A 35 7.428 -14.601 7.136 1.00 0.00 N ATOM 487 CA GLN A 35 6.391 -15.288 7.897 1.00 0.00 C ATOM 488 C GLN A 35 5.204 -14.365 8.156 1.00 0.00 C ATOM 489 O GLN A 35 4.051 -14.750 7.960 1.00 0.00 O ATOM 490 CB GLN A 35 6.955 -15.796 9.225 1.00 0.00 C ATOM 491 CG GLN A 35 8.072 -16.814 9.061 1.00 0.00 C ATOM 492 CD GLN A 35 8.338 -17.599 10.331 1.00 0.00 C ATOM 493 OE1 GLN A 35 8.054 -17.131 11.434 1.00 0.00 O ATOM 494 NE2 GLN A 35 8.885 -18.800 10.181 1.00 0.00 N ATOM 0 H GLN A 35 8.371 -14.716 7.508 1.00 0.00 H new ATOM 0 HA GLN A 35 6.046 -16.138 7.308 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.328 -14.948 9.800 1.00 0.00 H new ATOM 0 HB3 GLN A 35 6.148 -16.244 9.805 1.00 0.00 H new ATOM 0 HG2 GLN A 35 7.814 -17.505 8.259 1.00 0.00 H new ATOM 0 HG3 GLN A 35 8.985 -16.301 8.758 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.104 -19.148 9.247 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.086 -19.375 10.999 1.00 0.00 H new ATOM 503 N LYS A 36 5.494 -13.146 8.597 1.00 0.00 N ATOM 504 CA LYS A 36 4.452 -12.167 8.881 1.00 0.00 C ATOM 505 C LYS A 36 3.679 -11.811 7.615 1.00 0.00 C ATOM 506 O LYS A 36 2.448 -11.785 7.614 1.00 0.00 O ATOM 507 CB LYS A 36 5.063 -10.903 9.491 1.00 0.00 C ATOM 508 CG LYS A 36 5.275 -10.993 10.992 1.00 0.00 C ATOM 509 CD LYS A 36 6.636 -11.579 11.329 1.00 0.00 C ATOM 510 CE LYS A 36 7.026 -11.288 12.770 1.00 0.00 C ATOM 511 NZ LYS A 36 6.503 -12.322 13.706 1.00 0.00 N ATOM 0 H LYS A 36 6.443 -12.812 8.766 1.00 0.00 H new ATOM 0 HA LYS A 36 3.759 -12.610 9.596 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.020 -10.703 9.009 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.414 -10.055 9.275 1.00 0.00 H new ATOM 0 HG2 LYS A 36 5.186 -10.000 11.433 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.493 -11.610 11.435 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.620 -12.657 11.166 1.00 0.00 H new ATOM 0 HD3 LYS A 36 7.388 -11.166 10.657 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.112 -11.242 12.850 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.643 -10.309 13.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.790 -12.088 14.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.465 -12.349 13.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 6.888 -13.252 13.446 1.00 0.00 H new ATOM 525 N TYR A 37 4.409 -11.537 6.540 1.00 0.00 N ATOM 526 CA TYR A 37 3.792 -11.182 5.267 1.00 0.00 C ATOM 527 C TYR A 37 2.843 -12.280 4.796 1.00 0.00 C ATOM 528 O TYR A 37 1.678 -12.021 4.496 1.00 0.00 O ATOM 529 CB TYR A 37 4.866 -10.931 4.208 1.00 0.00 C ATOM 530 CG TYR A 37 4.355 -11.044 2.789 1.00 0.00 C ATOM 531 CD1 TYR A 37 3.710 -9.977 2.176 1.00 0.00 C ATOM 532 CD2 TYR A 37 4.517 -12.217 2.062 1.00 0.00 C ATOM 533 CE1 TYR A 37 3.241 -10.075 0.880 1.00 0.00 C ATOM 534 CE2 TYR A 37 4.053 -12.324 0.766 1.00 0.00 C ATOM 535 CZ TYR A 37 3.415 -11.250 0.179 1.00 0.00 C ATOM 536 OH TYR A 37 2.950 -11.353 -1.112 1.00 0.00 O ATOM 0 H TYR A 37 5.429 -11.554 6.524 1.00 0.00 H new ATOM 0 HA TYR A 37 3.216 -10.268 5.414 1.00 0.00 H new ATOM 0 HB2 TYR A 37 5.285 -9.936 4.356 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.679 -11.643 4.351 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.573 -9.055 2.722 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.015 -13.060 2.519 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.741 -9.236 0.419 1.00 0.00 H new ATOM 0 HE2 TYR A 37 4.188 -13.243 0.215 1.00 0.00 H new ATOM 0 HH TYR A 37 3.154 -12.245 -1.463 1.00 0.00 H new ATOM 546 N GLN A 38 3.352 -13.506 4.735 1.00 0.00 N ATOM 547 CA GLN A 38 2.551 -14.645 4.301 1.00 0.00 C ATOM 548 C GLN A 38 1.242 -14.717 5.079 1.00 0.00 C ATOM 549 O GLN A 38 0.157 -14.662 4.499 1.00 0.00 O ATOM 550 CB GLN A 38 3.336 -15.945 4.478 1.00 0.00 C ATOM 551 CG GLN A 38 4.325 -16.217 3.356 1.00 0.00 C ATOM 552 CD GLN A 38 4.543 -17.697 3.115 1.00 0.00 C ATOM 553 OE1 GLN A 38 3.588 -18.468 3.010 1.00 0.00 O ATOM 554 NE2 GLN A 38 5.804 -18.104 3.026 1.00 0.00 N ATOM 0 H GLN A 38 4.315 -13.736 4.980 1.00 0.00 H new ATOM 0 HA GLN A 38 2.318 -14.512 3.245 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.875 -15.908 5.425 1.00 0.00 H new ATOM 0 HB3 GLN A 38 2.635 -16.777 4.542 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.964 -15.753 2.438 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.279 -15.748 3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 38 6.565 -17.431 3.119 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.012 -19.090 2.865 1.00 0.00 H new ATOM 563 N LYS A 39 1.349 -14.842 6.398 1.00 0.00 N ATOM 564 CA LYS A 39 0.174 -14.922 7.258 1.00 0.00 C ATOM 565 C LYS A 39 -0.736 -13.716 7.049 1.00 0.00 C ATOM 566 O LYS A 39 -1.911 -13.741 7.417 1.00 0.00 O ATOM 567 CB LYS A 39 0.596 -15.008 8.726 1.00 0.00 C ATOM 568 CG LYS A 39 0.978 -13.667 9.329 1.00 0.00 C ATOM 569 CD LYS A 39 0.932 -13.704 10.847 1.00 0.00 C ATOM 570 CE LYS A 39 0.555 -12.349 11.427 1.00 0.00 C ATOM 571 NZ LYS A 39 0.952 -12.229 12.857 1.00 0.00 N ATOM 0 H LYS A 39 2.239 -14.890 6.895 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.379 -15.823 6.992 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.221 -15.438 9.306 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.442 -15.690 8.813 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.981 -13.392 9.001 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.300 -12.896 8.962 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.210 -14.453 11.172 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.904 -14.009 11.234 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.036 -11.560 10.849 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.521 -12.201 11.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.678 -11.292 13.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.474 -12.966 13.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.982 -12.345 12.942 1.00 0.00 H new ATOM 585 N LEU A 40 -0.186 -12.662 6.455 1.00 0.00 N ATOM 586 CA LEU A 40 -0.949 -11.446 6.196 1.00 0.00 C ATOM 587 C LEU A 40 -1.359 -11.363 4.729 1.00 0.00 C ATOM 588 O LEU A 40 -1.705 -10.291 4.231 1.00 0.00 O ATOM 589 CB LEU A 40 -0.127 -10.213 6.578 1.00 0.00 C ATOM 590 CG LEU A 40 0.125 -10.012 8.073 1.00 0.00 C ATOM 591 CD1 LEU A 40 1.017 -8.802 8.305 1.00 0.00 C ATOM 592 CD2 LEU A 40 -1.192 -9.857 8.819 1.00 0.00 C ATOM 0 H LEU A 40 0.785 -12.625 6.144 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.852 -11.476 6.806 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.837 -10.272 6.072 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -0.635 -9.329 6.193 1.00 0.00 H new ATOM 0 HG LEU A 40 0.636 -10.894 8.458 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.186 -8.674 9.374 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.972 -8.953 7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.533 -7.911 7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.994 -9.715 9.881 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.730 -8.992 8.431 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.797 -10.753 8.679 1.00 0.00 H new ATOM 604 N ILE A 41 -1.321 -12.501 4.044 1.00 0.00 N ATOM 605 CA ILE A 41 -1.692 -12.557 2.636 1.00 0.00 C ATOM 606 C ILE A 41 -2.995 -13.325 2.441 1.00 0.00 C ATOM 607 O ILE A 41 -3.706 -13.123 1.455 1.00 0.00 O ATOM 608 CB ILE A 41 -0.588 -13.218 1.789 1.00 0.00 C ATOM 609 CG1 ILE A 41 0.544 -12.224 1.521 1.00 0.00 C ATOM 610 CG2 ILE A 41 -1.165 -13.738 0.480 1.00 0.00 C ATOM 611 CD1 ILE A 41 0.173 -11.136 0.537 1.00 0.00 C ATOM 0 H ILE A 41 -1.037 -13.396 4.441 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.826 -11.528 2.304 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.180 -14.062 2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.843 -11.764 2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.410 -12.766 1.141 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.373 -14.202 -0.108 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.940 -14.475 0.691 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.596 -12.910 -0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.023 -10.468 0.395 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.098 -11.586 -0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -0.674 -10.569 0.924 1.00 0.00 H new ATOM 623 N LEU A 42 -3.304 -14.204 3.387 1.00 0.00 N ATOM 624 CA LEU A 42 -4.524 -15.002 3.321 1.00 0.00 C ATOM 625 C LEU A 42 -5.584 -14.455 4.271 1.00 0.00 C ATOM 626 O LEU A 42 -6.715 -14.942 4.304 1.00 0.00 O ATOM 627 CB LEU A 42 -4.221 -16.462 3.662 1.00 0.00 C ATOM 628 CG LEU A 42 -3.036 -16.700 4.599 1.00 0.00 C ATOM 629 CD1 LEU A 42 -3.374 -16.253 6.012 1.00 0.00 C ATOM 630 CD2 LEU A 42 -2.631 -18.167 4.584 1.00 0.00 C ATOM 0 H LEU A 42 -2.727 -14.383 4.209 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.911 -14.946 2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.110 -16.901 4.115 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.038 -17.001 2.732 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.193 -16.107 4.245 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -2.519 -16.430 6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.614 -15.190 6.010 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.232 -16.818 6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.786 -18.318 5.256 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.471 -18.780 4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.346 -18.455 3.572 1.00 0.00 H new ATOM 642 N LEU A 43 -5.213 -13.438 5.042 1.00 0.00 N ATOM 643 CA LEU A 43 -6.133 -12.822 5.992 1.00 0.00 C ATOM 644 C LEU A 43 -6.958 -11.729 5.320 1.00 0.00 C ATOM 645 O LEU A 43 -8.046 -11.386 5.782 1.00 0.00 O ATOM 646 CB LEU A 43 -5.359 -12.239 7.175 1.00 0.00 C ATOM 647 CG LEU A 43 -4.930 -13.235 8.253 1.00 0.00 C ATOM 648 CD1 LEU A 43 -3.937 -12.593 9.209 1.00 0.00 C ATOM 649 CD2 LEU A 43 -6.143 -13.755 9.012 1.00 0.00 C ATOM 0 H LEU A 43 -4.281 -13.023 5.028 1.00 0.00 H new ATOM 0 HA LEU A 43 -6.813 -13.593 6.355 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.467 -11.743 6.791 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.974 -11.471 7.643 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.441 -14.079 7.766 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.643 -13.317 9.969 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.055 -12.270 8.655 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.400 -11.731 9.689 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.819 -14.463 9.775 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -6.660 -12.921 9.487 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -6.820 -14.254 8.318 1.00 0.00 H new ATOM 661 N TYR A 44 -6.433 -11.187 4.227 1.00 0.00 N ATOM 662 CA TYR A 44 -7.121 -10.132 3.491 1.00 0.00 C ATOM 663 C TYR A 44 -7.361 -10.545 2.043 1.00 0.00 C ATOM 664 O TYR A 44 -7.955 -9.801 1.262 1.00 0.00 O ATOM 665 CB TYR A 44 -6.308 -8.837 3.536 1.00 0.00 C ATOM 666 CG TYR A 44 -5.997 -8.365 4.938 1.00 0.00 C ATOM 667 CD1 TYR A 44 -6.863 -7.513 5.613 1.00 0.00 C ATOM 668 CD2 TYR A 44 -4.838 -8.770 5.588 1.00 0.00 C ATOM 669 CE1 TYR A 44 -6.583 -7.079 6.895 1.00 0.00 C ATOM 670 CE2 TYR A 44 -4.550 -8.342 6.870 1.00 0.00 C ATOM 671 CZ TYR A 44 -5.426 -7.496 7.519 1.00 0.00 C ATOM 672 OH TYR A 44 -5.142 -7.066 8.795 1.00 0.00 O ATOM 0 H TYR A 44 -5.534 -11.460 3.831 1.00 0.00 H new ATOM 0 HA TYR A 44 -8.087 -9.963 3.966 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -5.373 -8.986 2.996 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.857 -8.055 3.012 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.770 -7.184 5.128 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.150 -9.431 5.082 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.267 -6.417 7.405 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.645 -8.668 7.361 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.291 -7.453 9.089 1.00 0.00 H new ATOM 682 N HIS A 45 -6.894 -11.739 1.690 1.00 0.00 N ATOM 683 CA HIS A 45 -7.058 -12.254 0.335 1.00 0.00 C ATOM 684 C HIS A 45 -8.520 -12.185 -0.099 1.00 0.00 C ATOM 685 O HIS A 45 -9.436 -12.459 0.676 1.00 0.00 O ATOM 686 CB HIS A 45 -6.556 -13.696 0.251 1.00 0.00 C ATOM 687 CG HIS A 45 -6.118 -14.098 -1.124 1.00 0.00 C ATOM 688 ND1 HIS A 45 -6.968 -14.669 -2.048 1.00 0.00 N ATOM 689 CD2 HIS A 45 -4.912 -14.008 -1.730 1.00 0.00 C ATOM 690 CE1 HIS A 45 -6.303 -14.914 -3.163 1.00 0.00 C ATOM 691 NE2 HIS A 45 -5.053 -14.521 -2.996 1.00 0.00 N ATOM 0 H HIS A 45 -6.399 -12.367 2.323 1.00 0.00 H new ATOM 0 HA HIS A 45 -6.468 -11.632 -0.338 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.722 -13.822 0.941 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -7.348 -14.368 0.582 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.007 -13.607 -1.298 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.712 -15.359 -4.058 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -4.312 -14.588 -3.694 1.00 0.00 H new ATOM 700 N PRO A 46 -8.744 -11.811 -1.367 1.00 0.00 N ATOM 701 CA PRO A 46 -10.091 -11.698 -1.933 1.00 0.00 C ATOM 702 C PRO A 46 -10.761 -13.056 -2.112 1.00 0.00 C ATOM 703 O PRO A 46 -11.943 -13.220 -1.808 1.00 0.00 O ATOM 704 CB PRO A 46 -9.851 -11.036 -3.292 1.00 0.00 C ATOM 705 CG PRO A 46 -8.451 -11.399 -3.648 1.00 0.00 C ATOM 706 CD PRO A 46 -7.699 -11.471 -2.347 1.00 0.00 C ATOM 0 HA PRO A 46 -10.760 -11.135 -1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.556 -11.399 -4.039 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -9.977 -9.955 -3.234 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.417 -12.354 -4.172 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -8.012 -10.655 -4.312 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -6.915 -12.228 -2.377 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -7.217 -10.523 -2.108 1.00 0.00 H new ATOM 714 N ASP A 47 -10.000 -14.025 -2.606 1.00 0.00 N ATOM 715 CA ASP A 47 -10.519 -15.370 -2.824 1.00 0.00 C ATOM 716 C ASP A 47 -10.863 -16.042 -1.498 1.00 0.00 C ATOM 717 O ASP A 47 -11.906 -16.681 -1.365 1.00 0.00 O ATOM 718 CB ASP A 47 -9.501 -16.216 -3.590 1.00 0.00 C ATOM 719 CG ASP A 47 -10.088 -17.523 -4.083 1.00 0.00 C ATOM 720 OD1 ASP A 47 -10.100 -18.500 -3.305 1.00 0.00 O ATOM 721 OD2 ASP A 47 -10.537 -17.570 -5.248 1.00 0.00 O ATOM 0 H ASP A 47 -9.020 -13.904 -2.863 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.430 -15.289 -3.417 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.126 -15.646 -4.440 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.648 -16.425 -2.945 1.00 0.00 H new ATOM 726 N LYS A 48 -9.977 -15.893 -0.519 1.00 0.00 N ATOM 727 CA LYS A 48 -10.185 -16.484 0.798 1.00 0.00 C ATOM 728 C LYS A 48 -11.501 -16.009 1.406 1.00 0.00 C ATOM 729 O LYS A 48 -12.113 -16.713 2.208 1.00 0.00 O ATOM 730 CB LYS A 48 -9.023 -16.128 1.728 1.00 0.00 C ATOM 731 CG LYS A 48 -7.683 -16.669 1.262 1.00 0.00 C ATOM 732 CD LYS A 48 -7.425 -18.064 1.807 1.00 0.00 C ATOM 733 CE LYS A 48 -6.246 -18.725 1.110 1.00 0.00 C ATOM 734 NZ LYS A 48 -6.321 -20.211 1.181 1.00 0.00 N ATOM 0 H LYS A 48 -9.108 -15.368 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.230 -17.567 0.680 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.957 -15.043 1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.235 -16.515 2.725 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.658 -16.693 0.173 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.887 -15.998 1.585 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.231 -18.007 2.878 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.317 -18.677 1.677 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.219 -18.412 0.066 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -5.317 -18.386 1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.500 -20.624 0.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.321 -20.511 2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.195 -20.537 0.721 1.00 0.00 H new ATOM 748 N GLN A 49 -11.930 -14.813 1.016 1.00 0.00 N ATOM 749 CA GLN A 49 -13.175 -14.247 1.523 1.00 0.00 C ATOM 750 C GLN A 49 -14.295 -15.281 1.497 1.00 0.00 C ATOM 751 O GLN A 49 -14.137 -16.367 0.939 1.00 0.00 O ATOM 752 CB GLN A 49 -13.575 -13.023 0.698 1.00 0.00 C ATOM 753 CG GLN A 49 -12.529 -11.920 0.698 1.00 0.00 C ATOM 754 CD GLN A 49 -12.278 -11.354 2.081 1.00 0.00 C ATOM 755 OE1 GLN A 49 -13.109 -10.628 2.628 1.00 0.00 O ATOM 756 NE2 GLN A 49 -11.127 -11.682 2.656 1.00 0.00 N ATOM 0 H GLN A 49 -11.435 -14.218 0.352 1.00 0.00 H new ATOM 0 HA GLN A 49 -13.012 -13.943 2.557 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.763 -13.334 -0.330 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.512 -12.624 1.087 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.595 -12.310 0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -12.852 -11.118 0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.467 -12.286 2.167 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.903 -11.330 3.587 1.00 0.00 H new ATOM 765 N SER A 50 -15.426 -14.937 2.104 1.00 0.00 N ATOM 766 CA SER A 50 -16.571 -15.838 2.154 1.00 0.00 C ATOM 767 C SER A 50 -17.864 -15.061 2.380 1.00 0.00 C ATOM 768 O SER A 50 -17.856 -13.977 2.962 1.00 0.00 O ATOM 769 CB SER A 50 -16.385 -16.874 3.265 1.00 0.00 C ATOM 770 OG SER A 50 -15.177 -17.595 3.092 1.00 0.00 O ATOM 0 H SER A 50 -15.574 -14.041 2.568 1.00 0.00 H new ATOM 0 HA SER A 50 -16.639 -16.352 1.195 1.00 0.00 H new ATOM 0 HB2 SER A 50 -16.379 -16.376 4.234 1.00 0.00 H new ATOM 0 HB3 SER A 50 -17.228 -17.565 3.267 1.00 0.00 H new ATOM 0 HG SER A 50 -14.836 -17.449 2.185 1.00 0.00 H new ATOM 776 N ALA A 51 -18.975 -15.624 1.915 1.00 0.00 N ATOM 777 CA ALA A 51 -20.276 -14.986 2.067 1.00 0.00 C ATOM 778 C ALA A 51 -20.467 -14.460 3.486 1.00 0.00 C ATOM 779 O ALA A 51 -21.289 -13.575 3.725 1.00 0.00 O ATOM 780 CB ALA A 51 -21.388 -15.962 1.710 1.00 0.00 C ATOM 0 H ALA A 51 -18.999 -16.521 1.430 1.00 0.00 H new ATOM 0 HA ALA A 51 -20.319 -14.138 1.384 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -22.354 -15.472 1.828 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -21.270 -16.286 0.676 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.338 -16.828 2.370 1.00 0.00 H new ATOM 786 N ASP A 52 -19.704 -15.010 4.423 1.00 0.00 N ATOM 787 CA ASP A 52 -19.789 -14.596 5.819 1.00 0.00 C ATOM 788 C ASP A 52 -19.603 -13.087 5.951 1.00 0.00 C ATOM 789 O ASP A 52 -20.466 -12.389 6.484 1.00 0.00 O ATOM 790 CB ASP A 52 -18.737 -15.327 6.655 1.00 0.00 C ATOM 791 CG ASP A 52 -18.910 -15.086 8.142 1.00 0.00 C ATOM 792 OD1 ASP A 52 -19.975 -15.452 8.682 1.00 0.00 O ATOM 793 OD2 ASP A 52 -17.981 -14.532 8.766 1.00 0.00 O ATOM 0 H ASP A 52 -19.019 -15.744 4.242 1.00 0.00 H new ATOM 0 HA ASP A 52 -20.781 -14.855 6.189 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -18.796 -16.397 6.454 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -17.743 -15.000 6.350 1.00 0.00 H new ATOM 798 N VAL A 53 -18.471 -12.591 5.461 1.00 0.00 N ATOM 799 CA VAL A 53 -18.172 -11.165 5.524 1.00 0.00 C ATOM 800 C VAL A 53 -19.126 -10.364 4.644 1.00 0.00 C ATOM 801 O VAL A 53 -19.453 -10.755 3.524 1.00 0.00 O ATOM 802 CB VAL A 53 -16.724 -10.876 5.088 1.00 0.00 C ATOM 803 CG1 VAL A 53 -15.751 -11.778 5.833 1.00 0.00 C ATOM 804 CG2 VAL A 53 -16.576 -11.048 3.583 1.00 0.00 C ATOM 0 H VAL A 53 -17.747 -13.155 5.016 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.298 -10.860 6.563 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.488 -9.842 5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -14.733 -11.559 5.511 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -15.839 -11.601 6.905 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -15.983 -12.821 5.617 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -15.546 -10.840 3.293 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -16.831 -12.071 3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -17.245 -10.356 3.070 1.00 0.00 H new ATOM 814 N PRO A 54 -19.583 -9.215 5.162 1.00 0.00 N ATOM 815 CA PRO A 54 -20.506 -8.333 4.440 1.00 0.00 C ATOM 816 C PRO A 54 -19.841 -7.647 3.252 1.00 0.00 C ATOM 817 O PRO A 54 -18.761 -8.047 2.816 1.00 0.00 O ATOM 818 CB PRO A 54 -20.910 -7.301 5.496 1.00 0.00 C ATOM 819 CG PRO A 54 -19.776 -7.284 6.462 1.00 0.00 C ATOM 820 CD PRO A 54 -19.236 -8.687 6.492 1.00 0.00 C ATOM 0 HA PRO A 54 -21.347 -8.882 4.017 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -21.065 -6.318 5.050 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -21.843 -7.580 5.986 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -19.008 -6.577 6.149 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -20.111 -6.974 7.452 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -18.159 -8.700 6.661 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -19.690 -9.275 7.289 1.00 0.00 H new ATOM 828 N ALA A 55 -20.492 -6.612 2.731 1.00 0.00 N ATOM 829 CA ALA A 55 -19.963 -5.869 1.595 1.00 0.00 C ATOM 830 C ALA A 55 -19.041 -4.745 2.055 1.00 0.00 C ATOM 831 O ALA A 55 -18.024 -4.464 1.421 1.00 0.00 O ATOM 832 CB ALA A 55 -21.100 -5.310 0.753 1.00 0.00 C ATOM 0 H ALA A 55 -21.388 -6.269 3.078 1.00 0.00 H new ATOM 0 HA ALA A 55 -19.378 -6.557 0.984 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -20.689 -4.757 -0.092 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -21.717 -6.130 0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -21.709 -4.642 1.362 1.00 0.00 H new ATOM 838 N GLY A 56 -19.403 -4.105 3.162 1.00 0.00 N ATOM 839 CA GLY A 56 -18.598 -3.018 3.688 1.00 0.00 C ATOM 840 C GLY A 56 -17.198 -3.461 4.061 1.00 0.00 C ATOM 841 O GLY A 56 -16.221 -2.766 3.776 1.00 0.00 O ATOM 0 H GLY A 56 -20.240 -4.320 3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.538 -2.222 2.946 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -19.089 -2.598 4.566 1.00 0.00 H new ATOM 845 N THR A 57 -17.097 -4.622 4.701 1.00 0.00 N ATOM 846 CA THR A 57 -15.806 -5.156 5.116 1.00 0.00 C ATOM 847 C THR A 57 -14.906 -5.417 3.913 1.00 0.00 C ATOM 848 O THR A 57 -13.700 -5.178 3.964 1.00 0.00 O ATOM 849 CB THR A 57 -15.969 -6.464 5.913 1.00 0.00 C ATOM 850 OG1 THR A 57 -16.744 -6.224 7.093 1.00 0.00 O ATOM 851 CG2 THR A 57 -14.613 -7.036 6.298 1.00 0.00 C ATOM 0 H THR A 57 -17.894 -5.210 4.943 1.00 0.00 H new ATOM 0 HA THR A 57 -15.344 -4.404 5.756 1.00 0.00 H new ATOM 0 HB THR A 57 -16.484 -7.188 5.281 1.00 0.00 H new ATOM 0 HG1 THR A 57 -16.845 -7.060 7.594 1.00 0.00 H new ATOM 0 HG21 THR A 57 -14.754 -7.959 6.860 1.00 0.00 H new ATOM 0 HG22 THR A 57 -14.037 -7.244 5.397 1.00 0.00 H new ATOM 0 HG23 THR A 57 -14.075 -6.315 6.914 1.00 0.00 H new ATOM 859 N MET A 58 -15.501 -5.909 2.831 1.00 0.00 N ATOM 860 CA MET A 58 -14.752 -6.201 1.614 1.00 0.00 C ATOM 861 C MET A 58 -13.905 -5.003 1.197 1.00 0.00 C ATOM 862 O MET A 58 -12.733 -5.151 0.853 1.00 0.00 O ATOM 863 CB MET A 58 -15.707 -6.583 0.481 1.00 0.00 C ATOM 864 CG MET A 58 -15.063 -7.446 -0.592 1.00 0.00 C ATOM 865 SD MET A 58 -14.414 -8.996 0.061 1.00 0.00 S ATOM 866 CE MET A 58 -12.654 -8.665 0.033 1.00 0.00 C ATOM 0 H MET A 58 -16.499 -6.114 2.772 1.00 0.00 H new ATOM 0 HA MET A 58 -14.088 -7.041 1.819 1.00 0.00 H new ATOM 0 HB2 MET A 58 -16.560 -7.116 0.900 1.00 0.00 H new ATOM 0 HB3 MET A 58 -16.094 -5.674 0.021 1.00 0.00 H new ATOM 0 HG2 MET A 58 -15.797 -7.662 -1.368 1.00 0.00 H new ATOM 0 HG3 MET A 58 -14.254 -6.888 -1.065 1.00 0.00 H new ATOM 0 HE1 MET A 58 -12.179 -9.286 -0.726 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.485 -7.614 -0.201 1.00 0.00 H new ATOM 0 HE3 MET A 58 -12.225 -8.893 1.009 1.00 0.00 H new ATOM 876 N GLU A 59 -14.506 -3.818 1.229 1.00 0.00 N ATOM 877 CA GLU A 59 -13.805 -2.596 0.853 1.00 0.00 C ATOM 878 C GLU A 59 -12.485 -2.471 1.608 1.00 0.00 C ATOM 879 O GLU A 59 -11.426 -2.307 1.004 1.00 0.00 O ATOM 880 CB GLU A 59 -14.682 -1.372 1.131 1.00 0.00 C ATOM 881 CG GLU A 59 -15.885 -1.264 0.211 1.00 0.00 C ATOM 882 CD GLU A 59 -15.558 -0.571 -1.098 1.00 0.00 C ATOM 883 OE1 GLU A 59 -14.792 0.415 -1.073 1.00 0.00 O ATOM 884 OE2 GLU A 59 -16.069 -1.015 -2.148 1.00 0.00 O ATOM 0 H GLU A 59 -15.476 -3.678 1.511 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.590 -2.645 -0.214 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.028 -1.410 2.164 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -14.076 -0.471 1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -16.269 -2.263 0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -16.679 -0.716 0.719 1.00 0.00 H new ATOM 891 N GLU A 60 -12.558 -2.551 2.933 1.00 0.00 N ATOM 892 CA GLU A 60 -11.369 -2.446 3.771 1.00 0.00 C ATOM 893 C GLU A 60 -10.403 -3.594 3.491 1.00 0.00 C ATOM 894 O GLU A 60 -9.185 -3.408 3.491 1.00 0.00 O ATOM 895 CB GLU A 60 -11.759 -2.443 5.250 1.00 0.00 C ATOM 896 CG GLU A 60 -12.638 -1.268 5.646 1.00 0.00 C ATOM 897 CD GLU A 60 -12.003 0.070 5.323 1.00 0.00 C ATOM 898 OE1 GLU A 60 -10.854 0.301 5.756 1.00 0.00 O ATOM 899 OE2 GLU A 60 -12.654 0.887 4.639 1.00 0.00 O ATOM 0 H GLU A 60 -13.427 -2.688 3.449 1.00 0.00 H new ATOM 0 HA GLU A 60 -10.870 -1.507 3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.282 -3.371 5.481 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -10.853 -2.428 5.856 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.595 -1.345 5.131 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.846 -1.319 6.715 1.00 0.00 H new ATOM 906 N CYS A 61 -10.955 -4.778 3.252 1.00 0.00 N ATOM 907 CA CYS A 61 -10.143 -5.957 2.972 1.00 0.00 C ATOM 908 C CYS A 61 -9.223 -5.713 1.780 1.00 0.00 C ATOM 909 O CYS A 61 -8.051 -6.088 1.800 1.00 0.00 O ATOM 910 CB CYS A 61 -11.039 -7.166 2.700 1.00 0.00 C ATOM 911 SG CYS A 61 -10.237 -8.760 2.995 1.00 0.00 S ATOM 0 H CYS A 61 -11.961 -4.947 3.246 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.527 -6.160 3.848 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -11.926 -7.096 3.329 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -11.378 -7.128 1.665 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.333 -8.966 2.084 1.00 0.00 H new ATOM 917 N MET A 62 -9.763 -5.083 0.742 1.00 0.00 N ATOM 918 CA MET A 62 -8.991 -4.789 -0.460 1.00 0.00 C ATOM 919 C MET A 62 -7.742 -3.982 -0.119 1.00 0.00 C ATOM 920 O MET A 62 -6.624 -4.492 -0.194 1.00 0.00 O ATOM 921 CB MET A 62 -9.848 -4.022 -1.468 1.00 0.00 C ATOM 922 CG MET A 62 -9.416 -4.224 -2.912 1.00 0.00 C ATOM 923 SD MET A 62 -10.005 -5.783 -3.601 1.00 0.00 S ATOM 924 CE MET A 62 -8.467 -6.508 -4.163 1.00 0.00 C ATOM 0 H MET A 62 -10.732 -4.766 0.709 1.00 0.00 H new ATOM 0 HA MET A 62 -8.682 -5.735 -0.904 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.887 -4.334 -1.361 1.00 0.00 H new ATOM 0 HB3 MET A 62 -9.809 -2.959 -1.231 1.00 0.00 H new ATOM 0 HG2 MET A 62 -9.790 -3.399 -3.518 1.00 0.00 H new ATOM 0 HG3 MET A 62 -8.328 -4.194 -2.969 1.00 0.00 H new ATOM 0 HE1 MET A 62 -8.657 -7.509 -4.550 1.00 0.00 H new ATOM 0 HE2 MET A 62 -8.040 -5.889 -4.952 1.00 0.00 H new ATOM 0 HE3 MET A 62 -7.767 -6.568 -3.330 1.00 0.00 H new ATOM 934 N GLN A 63 -7.940 -2.722 0.254 1.00 0.00 N ATOM 935 CA GLN A 63 -6.828 -1.846 0.604 1.00 0.00 C ATOM 936 C GLN A 63 -5.778 -2.597 1.416 1.00 0.00 C ATOM 937 O GLN A 63 -4.581 -2.495 1.148 1.00 0.00 O ATOM 938 CB GLN A 63 -7.333 -0.638 1.395 1.00 0.00 C ATOM 939 CG GLN A 63 -8.173 0.322 0.568 1.00 0.00 C ATOM 940 CD GLN A 63 -7.331 1.238 -0.298 1.00 0.00 C ATOM 941 OE1 GLN A 63 -6.349 1.820 0.165 1.00 0.00 O ATOM 942 NE2 GLN A 63 -7.710 1.371 -1.563 1.00 0.00 N ATOM 0 H GLN A 63 -8.859 -2.285 0.322 1.00 0.00 H new ATOM 0 HA GLN A 63 -6.366 -1.499 -0.321 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -7.924 -0.989 2.241 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -6.479 -0.100 1.805 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.851 -0.249 -0.066 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -8.791 0.925 1.234 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.530 0.870 -1.905 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -7.181 1.974 -2.193 1.00 0.00 H new ATOM 951 N LYS A 64 -6.234 -3.351 2.410 1.00 0.00 N ATOM 952 CA LYS A 64 -5.335 -4.121 3.262 1.00 0.00 C ATOM 953 C LYS A 64 -4.439 -5.029 2.426 1.00 0.00 C ATOM 954 O LYS A 64 -3.214 -4.993 2.549 1.00 0.00 O ATOM 955 CB LYS A 64 -6.138 -4.958 4.260 1.00 0.00 C ATOM 956 CG LYS A 64 -6.832 -4.131 5.328 1.00 0.00 C ATOM 957 CD LYS A 64 -5.876 -3.744 6.444 1.00 0.00 C ATOM 958 CE LYS A 64 -6.616 -3.142 7.628 1.00 0.00 C ATOM 959 NZ LYS A 64 -6.933 -1.703 7.411 1.00 0.00 N ATOM 0 H LYS A 64 -7.222 -3.446 2.646 1.00 0.00 H new ATOM 0 HA LYS A 64 -4.704 -3.421 3.809 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -6.886 -5.536 3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.471 -5.672 4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.250 -3.231 4.878 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.666 -4.697 5.743 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.320 -4.623 6.770 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.146 -3.027 6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.539 -3.695 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.010 -3.249 8.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.437 -1.330 8.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.051 -1.170 7.273 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.533 -1.603 6.567 1.00 0.00 H new ATOM 973 N PHE A 65 -5.056 -5.842 1.575 1.00 0.00 N ATOM 974 CA PHE A 65 -4.313 -6.759 0.719 1.00 0.00 C ATOM 975 C PHE A 65 -3.266 -6.011 -0.101 1.00 0.00 C ATOM 976 O PHE A 65 -2.065 -6.213 0.075 1.00 0.00 O ATOM 977 CB PHE A 65 -5.269 -7.507 -0.214 1.00 0.00 C ATOM 978 CG PHE A 65 -4.604 -8.595 -1.007 1.00 0.00 C ATOM 979 CD1 PHE A 65 -4.266 -9.798 -0.409 1.00 0.00 C ATOM 980 CD2 PHE A 65 -4.316 -8.415 -2.350 1.00 0.00 C ATOM 981 CE1 PHE A 65 -3.654 -10.802 -1.136 1.00 0.00 C ATOM 982 CE2 PHE A 65 -3.704 -9.415 -3.082 1.00 0.00 C ATOM 983 CZ PHE A 65 -3.372 -10.610 -2.474 1.00 0.00 C ATOM 0 H PHE A 65 -6.069 -5.884 1.460 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.802 -7.479 1.358 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.076 -7.941 0.377 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -5.725 -6.794 -0.901 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.483 -9.953 0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.573 -7.483 -2.831 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.397 -11.736 -0.658 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -3.486 -9.262 -4.129 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.893 -11.392 -3.044 1.00 0.00 H new ATOM 993 N ILE A 66 -3.732 -5.147 -0.997 1.00 0.00 N ATOM 994 CA ILE A 66 -2.837 -4.368 -1.843 1.00 0.00 C ATOM 995 C ILE A 66 -1.643 -3.848 -1.049 1.00 0.00 C ATOM 996 O ILE A 66 -0.503 -3.923 -1.505 1.00 0.00 O ATOM 997 CB ILE A 66 -3.568 -3.176 -2.489 1.00 0.00 C ATOM 998 CG1 ILE A 66 -4.487 -3.661 -3.612 1.00 0.00 C ATOM 999 CG2 ILE A 66 -2.564 -2.163 -3.018 1.00 0.00 C ATOM 1000 CD1 ILE A 66 -5.833 -4.149 -3.124 1.00 0.00 C ATOM 0 H ILE A 66 -4.724 -4.969 -1.155 1.00 0.00 H new ATOM 0 HA ILE A 66 -2.485 -5.037 -2.628 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.180 -2.689 -1.730 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -4.640 -2.848 -4.322 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.992 -4.467 -4.153 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.096 -1.327 -3.472 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.948 -1.798 -2.196 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -1.928 -2.637 -3.766 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.431 -4.477 -3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -5.690 -4.983 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -6.349 -3.339 -2.609 1.00 0.00 H new ATOM 1012 N GLU A 67 -1.915 -3.322 0.141 1.00 0.00 N ATOM 1013 CA GLU A 67 -0.862 -2.791 0.999 1.00 0.00 C ATOM 1014 C GLU A 67 0.128 -3.885 1.386 1.00 0.00 C ATOM 1015 O GLU A 67 1.341 -3.709 1.269 1.00 0.00 O ATOM 1016 CB GLU A 67 -1.467 -2.166 2.258 1.00 0.00 C ATOM 1017 CG GLU A 67 -2.059 -0.786 2.029 1.00 0.00 C ATOM 1018 CD GLU A 67 -2.974 -0.349 3.156 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -4.140 -0.798 3.180 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -2.527 0.441 4.013 1.00 0.00 O ATOM 0 H GLU A 67 -2.854 -3.252 0.533 1.00 0.00 H new ATOM 0 HA GLU A 67 -0.327 -2.022 0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.244 -2.826 2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.696 -2.099 3.026 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.252 -0.062 1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.616 -0.785 1.092 1.00 0.00 H new ATOM 1027 N ILE A 68 -0.398 -5.014 1.849 1.00 0.00 N ATOM 1028 CA ILE A 68 0.439 -6.137 2.252 1.00 0.00 C ATOM 1029 C ILE A 68 1.310 -6.618 1.096 1.00 0.00 C ATOM 1030 O ILE A 68 2.506 -6.855 1.263 1.00 0.00 O ATOM 1031 CB ILE A 68 -0.409 -7.316 2.766 1.00 0.00 C ATOM 1032 CG1 ILE A 68 -1.298 -6.865 3.927 1.00 0.00 C ATOM 1033 CG2 ILE A 68 0.489 -8.467 3.195 1.00 0.00 C ATOM 1034 CD1 ILE A 68 -2.583 -7.653 4.045 1.00 0.00 C ATOM 0 H ILE A 68 -1.400 -5.175 1.954 1.00 0.00 H new ATOM 0 HA ILE A 68 1.077 -5.779 3.060 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.050 -7.664 1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.739 -6.955 4.858 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -1.539 -5.809 3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.125 -9.292 3.556 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.083 -8.801 2.345 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.153 -8.133 3.992 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.163 -7.279 4.889 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -3.163 -7.543 3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -2.351 -8.706 4.203 1.00 0.00 H new ATOM 1046 N ASP A 69 0.701 -6.758 -0.076 1.00 0.00 N ATOM 1047 CA ASP A 69 1.421 -7.207 -1.262 1.00 0.00 C ATOM 1048 C ASP A 69 2.502 -6.204 -1.655 1.00 0.00 C ATOM 1049 O ASP A 69 3.327 -6.477 -2.526 1.00 0.00 O ATOM 1050 CB ASP A 69 0.451 -7.412 -2.427 1.00 0.00 C ATOM 1051 CG ASP A 69 0.999 -8.358 -3.478 1.00 0.00 C ATOM 1052 OD1 ASP A 69 2.227 -8.340 -3.710 1.00 0.00 O ATOM 1053 OD2 ASP A 69 0.202 -9.116 -4.067 1.00 0.00 O ATOM 0 H ASP A 69 -0.289 -6.567 -0.230 1.00 0.00 H new ATOM 0 HA ASP A 69 1.901 -8.157 -1.027 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.492 -7.804 -2.046 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.233 -6.449 -2.888 1.00 0.00 H new ATOM 1058 N GLN A 70 2.488 -5.044 -1.007 1.00 0.00 N ATOM 1059 CA GLN A 70 3.466 -4.000 -1.290 1.00 0.00 C ATOM 1060 C GLN A 70 4.560 -3.976 -0.228 1.00 0.00 C ATOM 1061 O GLN A 70 5.739 -3.815 -0.541 1.00 0.00 O ATOM 1062 CB GLN A 70 2.779 -2.635 -1.363 1.00 0.00 C ATOM 1063 CG GLN A 70 2.066 -2.382 -2.682 1.00 0.00 C ATOM 1064 CD GLN A 70 1.012 -1.298 -2.576 1.00 0.00 C ATOM 1065 OE1 GLN A 70 0.119 -1.364 -1.731 1.00 0.00 O ATOM 1066 NE2 GLN A 70 1.110 -0.291 -3.437 1.00 0.00 N ATOM 0 H GLN A 70 1.811 -4.803 -0.283 1.00 0.00 H new ATOM 0 HA GLN A 70 3.926 -4.220 -2.254 1.00 0.00 H new ATOM 0 HB2 GLN A 70 2.058 -2.556 -0.549 1.00 0.00 H new ATOM 0 HB3 GLN A 70 3.523 -1.854 -1.206 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.798 -2.099 -3.438 1.00 0.00 H new ATOM 0 HG3 GLN A 70 1.598 -3.306 -3.021 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.867 -0.277 -4.121 1.00 0.00 H new ATOM 0 HE22 GLN A 70 0.429 0.468 -3.414 1.00 0.00 H new ATOM 1075 N ALA A 71 4.161 -4.137 1.029 1.00 0.00 N ATOM 1076 CA ALA A 71 5.108 -4.136 2.138 1.00 0.00 C ATOM 1077 C ALA A 71 6.223 -5.149 1.908 1.00 0.00 C ATOM 1078 O ALA A 71 7.283 -5.072 2.530 1.00 0.00 O ATOM 1079 CB ALA A 71 4.388 -4.427 3.446 1.00 0.00 C ATOM 0 H ALA A 71 3.188 -4.270 1.305 1.00 0.00 H new ATOM 0 HA ALA A 71 5.560 -3.146 2.198 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.107 -4.423 4.266 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.632 -3.662 3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.909 -5.404 3.388 1.00 0.00 H new ATOM 1085 N TRP A 72 5.978 -6.099 1.013 1.00 0.00 N ATOM 1086 CA TRP A 72 6.962 -7.129 0.702 1.00 0.00 C ATOM 1087 C TRP A 72 7.971 -6.626 -0.325 1.00 0.00 C ATOM 1088 O TRP A 72 9.177 -6.825 -0.175 1.00 0.00 O ATOM 1089 CB TRP A 72 6.267 -8.387 0.179 1.00 0.00 C ATOM 1090 CG TRP A 72 7.183 -9.568 0.065 1.00 0.00 C ATOM 1091 CD1 TRP A 72 7.458 -10.287 -1.063 1.00 0.00 C ATOM 1092 CD2 TRP A 72 7.941 -10.169 1.121 1.00 0.00 C ATOM 1093 NE1 TRP A 72 8.342 -11.298 -0.773 1.00 0.00 N ATOM 1094 CE2 TRP A 72 8.654 -11.247 0.560 1.00 0.00 C ATOM 1095 CE3 TRP A 72 8.089 -9.900 2.484 1.00 0.00 C ATOM 1096 CZ2 TRP A 72 9.500 -12.053 1.317 1.00 0.00 C ATOM 1097 CZ3 TRP A 72 8.928 -10.702 3.234 1.00 0.00 C ATOM 1098 CH2 TRP A 72 9.626 -11.768 2.649 1.00 0.00 C ATOM 0 H TRP A 72 5.106 -6.177 0.490 1.00 0.00 H new ATOM 0 HA TRP A 72 7.497 -7.374 1.620 1.00 0.00 H new ATOM 0 HB2 TRP A 72 5.441 -8.640 0.844 1.00 0.00 H new ATOM 0 HB3 TRP A 72 5.836 -8.175 -0.799 1.00 0.00 H new ATOM 0 HD1 TRP A 72 7.042 -10.090 -2.040 1.00 0.00 H new ATOM 0 HE1 TRP A 72 8.707 -11.976 -1.442 1.00 0.00 H new ATOM 0 HE3 TRP A 72 7.557 -9.080 2.943 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 10.038 -12.875 0.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.048 -10.504 4.289 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.275 -12.376 3.262 1.00 0.00 H new ATOM 1109 N LYS A 73 7.471 -5.973 -1.368 1.00 0.00 N ATOM 1110 CA LYS A 73 8.328 -5.440 -2.420 1.00 0.00 C ATOM 1111 C LYS A 73 9.530 -4.712 -1.825 1.00 0.00 C ATOM 1112 O LYS A 73 10.568 -4.576 -2.474 1.00 0.00 O ATOM 1113 CB LYS A 73 7.536 -4.487 -3.318 1.00 0.00 C ATOM 1114 CG LYS A 73 6.777 -5.191 -4.431 1.00 0.00 C ATOM 1115 CD LYS A 73 5.375 -5.578 -3.992 1.00 0.00 C ATOM 1116 CE LYS A 73 4.797 -6.673 -4.874 1.00 0.00 C ATOM 1117 NZ LYS A 73 5.457 -7.986 -4.632 1.00 0.00 N ATOM 0 H LYS A 73 6.476 -5.800 -1.508 1.00 0.00 H new ATOM 0 HA LYS A 73 8.690 -6.276 -3.018 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.830 -3.927 -2.706 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.221 -3.762 -3.758 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.719 -4.539 -5.302 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.323 -6.084 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.398 -5.918 -2.956 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.727 -4.702 -4.026 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.727 -6.764 -4.686 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.914 -6.395 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.874 -8.747 -5.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.394 -7.992 -5.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.564 -8.137 -3.609 1.00 0.00 H new ATOM 1131 N ILE A 74 9.383 -4.249 -0.589 1.00 0.00 N ATOM 1132 CA ILE A 74 10.458 -3.538 0.093 1.00 0.00 C ATOM 1133 C ILE A 74 11.075 -4.397 1.191 1.00 0.00 C ATOM 1134 O ILE A 74 12.279 -4.658 1.187 1.00 0.00 O ATOM 1135 CB ILE A 74 9.958 -2.218 0.709 1.00 0.00 C ATOM 1136 CG1 ILE A 74 9.474 -1.268 -0.388 1.00 0.00 C ATOM 1137 CG2 ILE A 74 11.059 -1.568 1.533 1.00 0.00 C ATOM 1138 CD1 ILE A 74 8.367 -1.846 -1.243 1.00 0.00 C ATOM 0 H ILE A 74 8.530 -4.353 -0.039 1.00 0.00 H new ATOM 0 HA ILE A 74 11.215 -3.315 -0.659 1.00 0.00 H new ATOM 0 HB ILE A 74 9.119 -2.437 1.369 1.00 0.00 H new ATOM 0 HG12 ILE A 74 9.122 -0.344 0.072 1.00 0.00 H new ATOM 0 HG13 ILE A 74 10.317 -1.005 -1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 74 10.691 -0.636 1.962 1.00 0.00 H new ATOM 0 HG22 ILE A 74 11.360 -2.242 2.335 1.00 0.00 H new ATOM 0 HG23 ILE A 74 11.917 -1.359 0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 74 8.074 -1.118 -1.999 1.00 0.00 H new ATOM 0 HD12 ILE A 74 8.721 -2.754 -1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 74 7.508 -2.083 -0.615 1.00 0.00 H new ATOM 1150 N LEU A 75 10.243 -4.836 2.129 1.00 0.00 N ATOM 1151 CA LEU A 75 10.707 -5.669 3.233 1.00 0.00 C ATOM 1152 C LEU A 75 10.682 -7.145 2.850 1.00 0.00 C ATOM 1153 O LEU A 75 10.555 -8.018 3.708 1.00 0.00 O ATOM 1154 CB LEU A 75 9.839 -5.437 4.471 1.00 0.00 C ATOM 1155 CG LEU A 75 9.626 -3.978 4.878 1.00 0.00 C ATOM 1156 CD1 LEU A 75 8.767 -3.893 6.130 1.00 0.00 C ATOM 1157 CD2 LEU A 75 10.963 -3.286 5.100 1.00 0.00 C ATOM 0 H LEU A 75 9.244 -4.629 2.147 1.00 0.00 H new ATOM 0 HA LEU A 75 11.736 -5.389 3.460 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.863 -5.891 4.296 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.290 -5.965 5.311 1.00 0.00 H new ATOM 0 HG LEU A 75 9.104 -3.468 4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.626 -2.848 6.404 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.797 -4.351 5.938 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.261 -4.419 6.947 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.792 -2.249 5.389 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.511 -3.798 5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.545 -3.315 4.179 1.00 0.00 H new ATOM 1169 N GLY A 76 10.805 -7.417 1.555 1.00 0.00 N ATOM 1170 CA GLY A 76 10.797 -8.789 1.081 1.00 0.00 C ATOM 1171 C GLY A 76 12.181 -9.284 0.711 1.00 0.00 C ATOM 1172 O GLY A 76 12.367 -10.462 0.412 1.00 0.00 O ATOM 0 H GLY A 76 10.910 -6.712 0.825 1.00 0.00 H new ATOM 0 HA2 GLY A 76 10.378 -9.434 1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 76 10.143 -8.866 0.212 1.00 0.00 H new ATOM 1176 N ASN A 77 13.155 -8.380 0.730 1.00 0.00 N ATOM 1177 CA ASN A 77 14.530 -8.730 0.392 1.00 0.00 C ATOM 1178 C ASN A 77 15.509 -8.113 1.386 1.00 0.00 C ATOM 1179 O ASN A 77 15.187 -7.139 2.065 1.00 0.00 O ATOM 1180 CB ASN A 77 14.863 -8.264 -1.026 1.00 0.00 C ATOM 1181 CG ASN A 77 16.083 -8.963 -1.593 1.00 0.00 C ATOM 1182 OD1 ASN A 77 16.312 -10.145 -1.333 1.00 0.00 O ATOM 1183 ND2 ASN A 77 16.874 -8.235 -2.373 1.00 0.00 N ATOM 0 H ASN A 77 13.018 -7.400 0.976 1.00 0.00 H new ATOM 0 HA ASN A 77 14.625 -9.815 0.442 1.00 0.00 H new ATOM 0 HB2 ASN A 77 14.008 -8.448 -1.676 1.00 0.00 H new ATOM 0 HB3 ASN A 77 15.034 -7.188 -1.021 1.00 0.00 H new ATOM 0 HD21 ASN A 77 17.710 -8.652 -2.783 1.00 0.00 H new ATOM 0 HD22 ASN A 77 16.646 -7.259 -2.562 1.00 0.00 H new ATOM 1190 N GLU A 78 16.705 -8.687 1.464 1.00 0.00 N ATOM 1191 CA GLU A 78 17.731 -8.192 2.375 1.00 0.00 C ATOM 1192 C GLU A 78 18.204 -6.803 1.959 1.00 0.00 C ATOM 1193 O GLU A 78 18.337 -5.906 2.791 1.00 0.00 O ATOM 1194 CB GLU A 78 18.918 -9.157 2.414 1.00 0.00 C ATOM 1195 CG GLU A 78 18.684 -10.375 3.292 1.00 0.00 C ATOM 1196 CD GLU A 78 19.470 -11.587 2.830 1.00 0.00 C ATOM 1197 OE1 GLU A 78 19.304 -11.989 1.659 1.00 0.00 O ATOM 1198 OE2 GLU A 78 20.249 -12.133 3.638 1.00 0.00 O ATOM 0 H GLU A 78 16.988 -9.494 0.908 1.00 0.00 H new ATOM 0 HA GLU A 78 17.294 -8.124 3.371 1.00 0.00 H new ATOM 0 HB2 GLU A 78 19.140 -9.488 1.399 1.00 0.00 H new ATOM 0 HB3 GLU A 78 19.797 -8.623 2.774 1.00 0.00 H new ATOM 0 HG2 GLU A 78 18.961 -10.137 4.319 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.621 -10.616 3.297 1.00 0.00 H new ATOM 1205 N GLU A 79 18.458 -6.633 0.665 1.00 0.00 N ATOM 1206 CA GLU A 79 18.918 -5.354 0.138 1.00 0.00 C ATOM 1207 C GLU A 79 17.872 -4.265 0.362 1.00 0.00 C ATOM 1208 O GLU A 79 18.065 -3.360 1.174 1.00 0.00 O ATOM 1209 CB GLU A 79 19.232 -5.474 -1.355 1.00 0.00 C ATOM 1210 CG GLU A 79 19.629 -4.158 -2.001 1.00 0.00 C ATOM 1211 CD GLU A 79 20.393 -4.352 -3.297 1.00 0.00 C ATOM 1212 OE1 GLU A 79 19.890 -5.078 -4.179 1.00 0.00 O ATOM 1213 OE2 GLU A 79 21.494 -3.777 -3.428 1.00 0.00 O ATOM 0 H GLU A 79 18.353 -7.365 -0.037 1.00 0.00 H new ATOM 0 HA GLU A 79 19.827 -5.077 0.672 1.00 0.00 H new ATOM 0 HB2 GLU A 79 20.039 -6.194 -1.491 1.00 0.00 H new ATOM 0 HB3 GLU A 79 18.358 -5.873 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 79 18.733 -3.568 -2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.242 -3.586 -1.304 1.00 0.00 H new ATOM 1220 N THR A 80 16.762 -4.360 -0.364 1.00 0.00 N ATOM 1221 CA THR A 80 15.686 -3.385 -0.247 1.00 0.00 C ATOM 1222 C THR A 80 15.372 -3.086 1.215 1.00 0.00 C ATOM 1223 O THR A 80 15.236 -1.926 1.607 1.00 0.00 O ATOM 1224 CB THR A 80 14.404 -3.875 -0.945 1.00 0.00 C ATOM 1225 OG1 THR A 80 14.052 -5.177 -0.464 1.00 0.00 O ATOM 1226 CG2 THR A 80 14.594 -3.921 -2.454 1.00 0.00 C ATOM 0 H THR A 80 16.585 -5.103 -1.040 1.00 0.00 H new ATOM 0 HA THR A 80 16.031 -2.474 -0.736 1.00 0.00 H new ATOM 0 HB THR A 80 13.601 -3.174 -0.717 1.00 0.00 H new ATOM 0 HG1 THR A 80 13.128 -5.166 -0.137 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.676 -4.270 -2.926 1.00 0.00 H new ATOM 0 HG22 THR A 80 14.834 -2.923 -2.821 1.00 0.00 H new ATOM 0 HG23 THR A 80 15.409 -4.603 -2.698 1.00 0.00 H new ATOM 1234 N LYS A 81 15.258 -4.138 2.018 1.00 0.00 N ATOM 1235 CA LYS A 81 14.962 -3.989 3.438 1.00 0.00 C ATOM 1236 C LYS A 81 16.003 -3.108 4.121 1.00 0.00 C ATOM 1237 O LYS A 81 15.696 -2.391 5.074 1.00 0.00 O ATOM 1238 CB LYS A 81 14.913 -5.360 4.116 1.00 0.00 C ATOM 1239 CG LYS A 81 14.655 -5.289 5.611 1.00 0.00 C ATOM 1240 CD LYS A 81 15.947 -5.122 6.394 1.00 0.00 C ATOM 1241 CE LYS A 81 15.819 -5.674 7.805 1.00 0.00 C ATOM 1242 NZ LYS A 81 17.082 -5.516 8.578 1.00 0.00 N ATOM 0 H LYS A 81 15.366 -5.104 1.709 1.00 0.00 H new ATOM 0 HA LYS A 81 13.988 -3.509 3.533 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.132 -5.960 3.649 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.857 -5.876 3.943 1.00 0.00 H new ATOM 0 HG2 LYS A 81 13.988 -4.454 5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 81 14.146 -6.196 5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 81 16.757 -5.633 5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 81 16.213 -4.066 6.438 1.00 0.00 H new ATOM 0 HE2 LYS A 81 15.009 -5.161 8.324 1.00 0.00 H new ATOM 0 HE3 LYS A 81 15.551 -6.729 7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 16.955 -5.904 9.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 17.850 -6.026 8.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 17.325 -4.507 8.644 1.00 0.00 H new ATOM 1256 N LYS A 82 17.236 -3.166 3.628 1.00 0.00 N ATOM 1257 CA LYS A 82 18.322 -2.372 4.189 1.00 0.00 C ATOM 1258 C LYS A 82 18.247 -0.927 3.705 1.00 0.00 C ATOM 1259 O LYS A 82 18.247 0.008 4.506 1.00 0.00 O ATOM 1260 CB LYS A 82 19.674 -2.979 3.808 1.00 0.00 C ATOM 1261 CG LYS A 82 20.856 -2.077 4.122 1.00 0.00 C ATOM 1262 CD LYS A 82 22.123 -2.558 3.434 1.00 0.00 C ATOM 1263 CE LYS A 82 23.216 -1.502 3.478 1.00 0.00 C ATOM 1264 NZ LYS A 82 22.872 -0.313 2.650 1.00 0.00 N ATOM 0 H LYS A 82 17.508 -3.755 2.841 1.00 0.00 H new ATOM 0 HA LYS A 82 18.220 -2.378 5.274 1.00 0.00 H new ATOM 0 HB2 LYS A 82 19.800 -3.925 4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 82 19.674 -3.206 2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 82 20.632 -1.059 3.804 1.00 0.00 H new ATOM 0 HG3 LYS A 82 21.015 -2.047 5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 82 22.477 -3.469 3.916 1.00 0.00 H new ATOM 0 HD3 LYS A 82 21.902 -2.811 2.397 1.00 0.00 H new ATOM 0 HE2 LYS A 82 23.379 -1.191 4.510 1.00 0.00 H new ATOM 0 HE3 LYS A 82 24.152 -1.933 3.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 23.134 0.554 3.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 23.391 -0.355 1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 21.850 -0.307 2.460 1.00 0.00 H new ATOM 1278 N LYS A 83 18.181 -0.752 2.389 1.00 0.00 N ATOM 1279 CA LYS A 83 18.102 0.578 1.797 1.00 0.00 C ATOM 1280 C LYS A 83 16.904 1.347 2.345 1.00 0.00 C ATOM 1281 O LYS A 83 16.976 2.557 2.560 1.00 0.00 O ATOM 1282 CB LYS A 83 18.003 0.476 0.274 1.00 0.00 C ATOM 1283 CG LYS A 83 16.579 0.334 -0.235 1.00 0.00 C ATOM 1284 CD LYS A 83 16.513 0.447 -1.749 1.00 0.00 C ATOM 1285 CE LYS A 83 17.143 -0.761 -2.425 1.00 0.00 C ATOM 1286 NZ LYS A 83 17.650 -0.432 -3.787 1.00 0.00 N ATOM 0 H LYS A 83 18.181 -1.515 1.712 1.00 0.00 H new ATOM 0 HA LYS A 83 19.010 1.120 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 83 18.452 1.364 -0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 83 18.587 -0.380 -0.063 1.00 0.00 H new ATOM 0 HG2 LYS A 83 16.175 -0.629 0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 83 15.952 1.104 0.216 1.00 0.00 H new ATOM 0 HD2 LYS A 83 15.473 0.540 -2.063 1.00 0.00 H new ATOM 0 HD3 LYS A 83 17.026 1.354 -2.070 1.00 0.00 H new ATOM 0 HE2 LYS A 83 17.964 -1.133 -1.812 1.00 0.00 H new ATOM 0 HE3 LYS A 83 16.408 -1.563 -2.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 18.072 -1.281 -4.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 16.862 -0.101 -4.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 18.370 0.315 -3.718 1.00 0.00 H new ATOM 1300 N TYR A 84 15.804 0.637 2.569 1.00 0.00 N ATOM 1301 CA TYR A 84 14.590 1.254 3.091 1.00 0.00 C ATOM 1302 C TYR A 84 14.835 1.858 4.470 1.00 0.00 C ATOM 1303 O TYR A 84 14.528 3.025 4.713 1.00 0.00 O ATOM 1304 CB TYR A 84 13.461 0.224 3.166 1.00 0.00 C ATOM 1305 CG TYR A 84 12.206 0.748 3.825 1.00 0.00 C ATOM 1306 CD1 TYR A 84 11.558 1.875 3.334 1.00 0.00 C ATOM 1307 CD2 TYR A 84 11.668 0.117 4.940 1.00 0.00 C ATOM 1308 CE1 TYR A 84 10.411 2.358 3.934 1.00 0.00 C ATOM 1309 CE2 TYR A 84 10.520 0.592 5.546 1.00 0.00 C ATOM 1310 CZ TYR A 84 9.896 1.713 5.039 1.00 0.00 C ATOM 1311 OH TYR A 84 8.754 2.190 5.640 1.00 0.00 O ATOM 0 H TYR A 84 15.728 -0.366 2.397 1.00 0.00 H new ATOM 0 HA TYR A 84 14.298 2.054 2.411 1.00 0.00 H new ATOM 0 HB2 TYR A 84 13.219 -0.111 2.157 1.00 0.00 H new ATOM 0 HB3 TYR A 84 13.813 -0.649 3.716 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.958 2.382 2.468 1.00 0.00 H new ATOM 0 HD2 TYR A 84 12.155 -0.760 5.340 1.00 0.00 H new ATOM 0 HE1 TYR A 84 9.920 3.236 3.540 1.00 0.00 H new ATOM 0 HE2 TYR A 84 10.114 0.089 6.411 1.00 0.00 H new ATOM 0 HH TYR A 84 8.093 2.416 4.953 1.00 0.00 H new ATOM 1321 N ASP A 85 15.390 1.054 5.370 1.00 0.00 N ATOM 1322 CA ASP A 85 15.679 1.508 6.726 1.00 0.00 C ATOM 1323 C ASP A 85 16.460 2.818 6.705 1.00 0.00 C ATOM 1324 O ASP A 85 16.260 3.686 7.556 1.00 0.00 O ATOM 1325 CB ASP A 85 16.469 0.441 7.486 1.00 0.00 C ATOM 1326 CG ASP A 85 16.195 0.471 8.977 1.00 0.00 C ATOM 1327 OD1 ASP A 85 15.820 1.546 9.490 1.00 0.00 O ATOM 1328 OD2 ASP A 85 16.354 -0.582 9.630 1.00 0.00 O ATOM 0 H ASP A 85 15.649 0.085 5.186 1.00 0.00 H new ATOM 0 HA ASP A 85 14.731 1.679 7.236 1.00 0.00 H new ATOM 0 HB2 ASP A 85 16.216 -0.544 7.093 1.00 0.00 H new ATOM 0 HB3 ASP A 85 17.535 0.589 7.312 1.00 0.00 H new ATOM 1333 N LEU A 86 17.350 2.955 5.729 1.00 0.00 N ATOM 1334 CA LEU A 86 18.163 4.160 5.598 1.00 0.00 C ATOM 1335 C LEU A 86 17.316 5.339 5.130 1.00 0.00 C ATOM 1336 O LEU A 86 17.417 6.440 5.670 1.00 0.00 O ATOM 1337 CB LEU A 86 19.311 3.920 4.616 1.00 0.00 C ATOM 1338 CG LEU A 86 20.226 2.737 4.930 1.00 0.00 C ATOM 1339 CD1 LEU A 86 20.833 2.177 3.653 1.00 0.00 C ATOM 1340 CD2 LEU A 86 21.319 3.152 5.904 1.00 0.00 C ATOM 0 H LEU A 86 17.528 2.247 5.016 1.00 0.00 H new ATOM 0 HA LEU A 86 18.576 4.399 6.578 1.00 0.00 H new ATOM 0 HB2 LEU A 86 18.888 3.773 3.622 1.00 0.00 H new ATOM 0 HB3 LEU A 86 19.920 4.823 4.572 1.00 0.00 H new ATOM 0 HG LEU A 86 19.628 1.955 5.397 1.00 0.00 H new ATOM 0 HD11 LEU A 86 21.481 1.335 3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 86 20.037 1.841 2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 86 21.416 2.953 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 86 21.961 2.297 6.116 1.00 0.00 H new ATOM 0 HD22 LEU A 86 21.914 3.952 5.464 1.00 0.00 H new ATOM 0 HD23 LEU A 86 20.866 3.504 6.831 1.00 0.00 H new ATOM 1352 N GLN A 87 16.481 5.099 4.124 1.00 0.00 N ATOM 1353 CA GLN A 87 15.616 6.142 3.585 1.00 0.00 C ATOM 1354 C GLN A 87 14.768 6.769 4.686 1.00 0.00 C ATOM 1355 O GLN A 87 14.535 7.978 4.692 1.00 0.00 O ATOM 1356 CB GLN A 87 14.712 5.569 2.492 1.00 0.00 C ATOM 1357 CG GLN A 87 15.409 5.401 1.151 1.00 0.00 C ATOM 1358 CD GLN A 87 15.390 6.670 0.321 1.00 0.00 C ATOM 1359 OE1 GLN A 87 15.686 7.756 0.820 1.00 0.00 O ATOM 1360 NE2 GLN A 87 15.042 6.539 -0.953 1.00 0.00 N ATOM 0 H GLN A 87 16.385 4.193 3.666 1.00 0.00 H new ATOM 0 HA GLN A 87 16.249 6.917 3.154 1.00 0.00 H new ATOM 0 HB2 GLN A 87 14.331 4.601 2.818 1.00 0.00 H new ATOM 0 HB3 GLN A 87 13.850 6.224 2.364 1.00 0.00 H new ATOM 0 HG2 GLN A 87 16.442 5.096 1.318 1.00 0.00 H new ATOM 0 HG3 GLN A 87 14.926 4.599 0.593 1.00 0.00 H new ATOM 0 HE21 GLN A 87 14.804 5.619 -1.325 1.00 0.00 H new ATOM 0 HE22 GLN A 87 15.012 7.358 -1.560 1.00 0.00 H new ATOM 1369 N ARG A 88 14.308 5.939 5.617 1.00 0.00 N ATOM 1370 CA ARG A 88 13.484 6.412 6.723 1.00 0.00 C ATOM 1371 C ARG A 88 14.038 7.714 7.295 1.00 0.00 C ATOM 1372 O ARG A 88 15.218 8.023 7.132 1.00 0.00 O ATOM 1373 CB ARG A 88 13.409 5.351 7.821 1.00 0.00 C ATOM 1374 CG ARG A 88 12.693 4.080 7.393 1.00 0.00 C ATOM 1375 CD ARG A 88 12.054 3.373 8.578 1.00 0.00 C ATOM 1376 NE ARG A 88 13.033 3.040 9.609 1.00 0.00 N ATOM 1377 CZ ARG A 88 12.719 2.456 10.760 1.00 0.00 C ATOM 1378 NH1 ARG A 88 11.458 2.142 11.025 1.00 0.00 N ATOM 1379 NH2 ARG A 88 13.666 2.185 11.649 1.00 0.00 N ATOM 0 H ARG A 88 14.492 4.936 5.627 1.00 0.00 H new ATOM 0 HA ARG A 88 12.481 6.601 6.341 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.420 5.098 8.140 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.898 5.772 8.687 1.00 0.00 H new ATOM 0 HG2 ARG A 88 11.927 4.323 6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 88 13.401 3.409 6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 88 11.280 4.010 9.006 1.00 0.00 H new ATOM 0 HD3 ARG A 88 11.564 2.462 8.235 1.00 0.00 H new ATOM 0 HE ARG A 88 14.012 3.268 9.436 1.00 0.00 H new ATOM 0 HH11 ARG A 88 10.727 2.349 10.344 1.00 0.00 H new ATOM 0 HH12 ARG A 88 11.219 1.694 11.909 1.00 0.00 H new ATOM 0 HH21 ARG A 88 14.637 2.425 11.449 1.00 0.00 H new ATOM 0 HH22 ARG A 88 13.423 1.737 12.532 1.00 0.00 H new ATOM 1393 N SER A 89 13.177 8.473 7.966 1.00 0.00 N ATOM 1394 CA SER A 89 13.579 9.743 8.559 1.00 0.00 C ATOM 1395 C SER A 89 14.100 9.539 9.978 1.00 0.00 C ATOM 1396 O SER A 89 15.119 10.109 10.365 1.00 0.00 O ATOM 1397 CB SER A 89 12.401 10.720 8.571 1.00 0.00 C ATOM 1398 OG SER A 89 12.254 11.356 7.314 1.00 0.00 O ATOM 0 H SER A 89 12.197 8.230 8.112 1.00 0.00 H new ATOM 0 HA SER A 89 14.382 10.161 7.952 1.00 0.00 H new ATOM 0 HB2 SER A 89 11.484 10.186 8.822 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.555 11.471 9.346 1.00 0.00 H new ATOM 0 HG SER A 89 11.494 11.974 7.347 1.00 0.00 H new ATOM 1404 N GLY A 90 13.390 8.721 10.751 1.00 0.00 N ATOM 1405 CA GLY A 90 13.795 8.456 12.119 1.00 0.00 C ATOM 1406 C GLY A 90 12.616 8.168 13.027 1.00 0.00 C ATOM 1407 O GLY A 90 11.487 8.583 12.765 1.00 0.00 O ATOM 0 H GLY A 90 12.542 8.238 10.454 1.00 0.00 H new ATOM 0 HA2 GLY A 90 14.478 7.606 12.134 1.00 0.00 H new ATOM 0 HA3 GLY A 90 14.345 9.314 12.504 1.00 0.00 H new ATOM 1411 N PRO A 91 12.873 7.438 14.123 1.00 0.00 N ATOM 1412 CA PRO A 91 11.836 7.077 15.094 1.00 0.00 C ATOM 1413 C PRO A 91 11.344 8.281 15.891 1.00 0.00 C ATOM 1414 O PRO A 91 10.146 8.436 16.122 1.00 0.00 O ATOM 1415 CB PRO A 91 12.544 6.079 16.014 1.00 0.00 C ATOM 1416 CG PRO A 91 13.989 6.424 15.906 1.00 0.00 C ATOM 1417 CD PRO A 91 14.195 6.909 14.498 1.00 0.00 C ATOM 0 HA PRO A 91 10.946 6.674 14.610 1.00 0.00 H new ATOM 0 HB2 PRO A 91 12.191 6.169 17.041 1.00 0.00 H new ATOM 0 HB3 PRO A 91 12.358 5.051 15.702 1.00 0.00 H new ATOM 0 HG2 PRO A 91 14.261 7.194 16.628 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.614 5.556 16.115 1.00 0.00 H new ATOM 0 HD2 PRO A 91 14.965 7.679 14.447 1.00 0.00 H new ATOM 0 HD3 PRO A 91 14.507 6.101 13.836 1.00 0.00 H new ATOM 1425 N SER A 92 12.278 9.130 16.308 1.00 0.00 N ATOM 1426 CA SER A 92 11.940 10.318 17.083 1.00 0.00 C ATOM 1427 C SER A 92 11.233 11.352 16.211 1.00 0.00 C ATOM 1428 O SER A 92 11.853 11.990 15.360 1.00 0.00 O ATOM 1429 CB SER A 92 13.201 10.928 17.697 1.00 0.00 C ATOM 1430 OG SER A 92 13.926 9.962 18.438 1.00 0.00 O ATOM 0 H SER A 92 13.275 9.017 16.122 1.00 0.00 H new ATOM 0 HA SER A 92 11.263 10.019 17.884 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.833 11.335 16.908 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.927 11.759 18.347 1.00 0.00 H new ATOM 0 HG SER A 92 14.728 10.376 18.819 1.00 0.00 H new ATOM 1436 N SER A 93 9.932 11.510 16.429 1.00 0.00 N ATOM 1437 CA SER A 93 9.139 12.463 15.661 1.00 0.00 C ATOM 1438 C SER A 93 8.933 13.756 16.445 1.00 0.00 C ATOM 1439 O SER A 93 9.159 13.804 17.654 1.00 0.00 O ATOM 1440 CB SER A 93 7.784 11.854 15.296 1.00 0.00 C ATOM 1441 OG SER A 93 7.224 12.497 14.164 1.00 0.00 O ATOM 0 H SER A 93 9.404 10.991 17.131 1.00 0.00 H new ATOM 0 HA SER A 93 9.683 12.696 14.746 1.00 0.00 H new ATOM 0 HB2 SER A 93 7.903 10.790 15.092 1.00 0.00 H new ATOM 0 HB3 SER A 93 7.103 11.942 16.142 1.00 0.00 H new ATOM 0 HG SER A 93 6.359 12.088 13.950 1.00 0.00 H new ATOM 1447 N GLY A 94 8.503 14.802 15.748 1.00 0.00 N ATOM 1448 CA GLY A 94 8.274 16.081 16.394 1.00 0.00 C ATOM 1449 C GLY A 94 6.808 16.470 16.408 1.00 0.00 C ATOM 1450 O GLY A 94 6.443 17.520 16.936 1.00 0.00 O ATOM 0 H GLY A 94 8.309 14.787 14.747 1.00 0.00 H new ATOM 0 HA2 GLY A 94 8.645 16.039 17.418 1.00 0.00 H new ATOM 0 HA3 GLY A 94 8.846 16.852 15.879 1.00 0.00 H new TER 1454 GLY A 94