USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 782 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 70 THR OG1 : rot 170:sc= -0.207 USER MOD Set 1.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 26 CYS SG : rot -42:sc= 0.286 USER MOD Set 2.2: A 71 HIS : no HE2:sc= -2.04 K(o=-1.7,f=-5!) USER MOD Set 3.1: A 30 CYS SG : rot -174:sc= 1.17 USER MOD Set 3.2: A 42 MET CE :methyl 168:sc= -2.02 (180deg=-2.51) USER MOD Set 4.1: A 25 ASN :FLIP amide:sc= -1 F(o=-2.2!,f=-1) USER MOD Set 4.2: A 27 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 6 SER OG : rot 180:sc= 0.655 USER MOD Set 5.2: A 85 THR OG1 : rot 132:sc= 0.761 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 19:sc= 0.466! USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -1.35! C(o=-1.4!,f=-2!) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.04 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.324 K(o=-0.32,f=-2.8) USER MOD Single : A 19 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.4!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 21 SER OG : rot -160:sc= 0 USER MOD Single : A 22 SER OG : rot 82:sc= -0.916 USER MOD Single : A 24 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.86) USER MOD Single : A 29 TYR OH : rot 165:sc= -1.46 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 83:sc= 0.551 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 MET CE :methyl -133:sc= -0.215 (180deg=-3.35!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot -63:sc= 1.96 USER MOD Single : A 64 SER OG : rot 26:sc= 0.594 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.627 X(o=-0.63,f=-0.29) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 ASN :FLIP amide:sc= -1.67 F(o=-2.3!,f=-1.7) USER MOD Single : A 84 THR OG1 : rot -80:sc= -1.19! USER MOD Single : A 89 HIS : no HD1:sc=-0.000948 X(o=-0.00095,f=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 CYS SG : rot 70:sc= -3.24 USER MOD Single : A 94 TYR OH : rot 30:sc= -0.75 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.005 -5.149 -5.124 1.00 0.00 N ATOM 2 CA GLY A 1 -15.556 -6.495 -4.822 1.00 0.00 C ATOM 3 C GLY A 1 -14.154 -6.767 -5.326 1.00 0.00 C ATOM 4 O GLY A 1 -13.221 -6.921 -4.538 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.969 -5.014 -4.758 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.366 -4.461 -4.677 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.002 -5.005 -6.154 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.587 -6.651 -3.744 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.244 -7.213 -5.268 1.00 0.00 H new ATOM 8 N SER A 2 -14.002 -6.826 -6.646 1.00 0.00 N ATOM 9 CA SER A 2 -12.703 -7.085 -7.255 1.00 0.00 C ATOM 10 C SER A 2 -12.114 -8.396 -6.742 1.00 0.00 C ATOM 11 O SER A 2 -12.687 -9.046 -5.868 1.00 0.00 O ATOM 12 CB SER A 2 -11.740 -5.933 -6.964 1.00 0.00 C ATOM 13 OG SER A 2 -12.259 -4.702 -7.437 1.00 0.00 O ATOM 0 H SER A 2 -14.763 -6.698 -7.313 1.00 0.00 H new ATOM 0 HA SER A 2 -12.845 -7.167 -8.333 1.00 0.00 H new ATOM 0 HB2 SER A 2 -11.561 -5.867 -5.891 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.778 -6.131 -7.436 1.00 0.00 H new ATOM 0 HG SER A 2 -11.625 -3.982 -7.237 1.00 0.00 H new ATOM 19 N SER A 3 -10.967 -8.779 -7.294 1.00 0.00 N ATOM 20 CA SER A 3 -10.303 -10.013 -6.896 1.00 0.00 C ATOM 21 C SER A 3 -9.115 -9.722 -5.984 1.00 0.00 C ATOM 22 O SER A 3 -8.202 -8.983 -6.350 1.00 0.00 O ATOM 23 CB SER A 3 -9.832 -10.785 -8.131 1.00 0.00 C ATOM 24 OG SER A 3 -8.665 -10.202 -8.684 1.00 0.00 O ATOM 0 H SER A 3 -10.479 -8.252 -8.018 1.00 0.00 H new ATOM 0 HA SER A 3 -11.022 -10.621 -6.346 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.631 -11.822 -7.861 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.625 -10.799 -8.879 1.00 0.00 H new ATOM 0 HG SER A 3 -8.237 -9.628 -8.014 1.00 0.00 H new ATOM 30 N GLY A 4 -9.135 -10.309 -4.790 1.00 0.00 N ATOM 31 CA GLY A 4 -8.056 -10.099 -3.842 1.00 0.00 C ATOM 32 C GLY A 4 -8.562 -9.835 -2.438 1.00 0.00 C ATOM 33 O GLY A 4 -8.634 -8.686 -2.003 1.00 0.00 O ATOM 0 H GLY A 4 -9.879 -10.926 -4.463 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.409 -10.976 -3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.447 -9.257 -4.170 1.00 0.00 H new ATOM 37 N SER A 5 -8.914 -10.902 -1.727 1.00 0.00 N ATOM 38 CA SER A 5 -9.422 -10.780 -0.365 1.00 0.00 C ATOM 39 C SER A 5 -8.762 -11.805 0.553 1.00 0.00 C ATOM 40 O SER A 5 -9.174 -12.964 0.605 1.00 0.00 O ATOM 41 CB SER A 5 -10.940 -10.963 -0.346 1.00 0.00 C ATOM 42 OG SER A 5 -11.555 -10.021 0.516 1.00 0.00 O ATOM 0 H SER A 5 -8.857 -11.860 -2.071 1.00 0.00 H new ATOM 0 HA SER A 5 -9.180 -9.782 -0.000 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.336 -10.850 -1.355 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.184 -11.974 -0.019 1.00 0.00 H new ATOM 0 HG SER A 5 -12.526 -10.157 0.510 1.00 0.00 H new ATOM 48 N SER A 6 -7.736 -11.369 1.276 1.00 0.00 N ATOM 49 CA SER A 6 -7.016 -12.249 2.190 1.00 0.00 C ATOM 50 C SER A 6 -6.169 -11.439 3.168 1.00 0.00 C ATOM 51 O SER A 6 -5.320 -10.647 2.763 1.00 0.00 O ATOM 52 CB SER A 6 -6.126 -13.215 1.407 1.00 0.00 C ATOM 53 OG SER A 6 -5.013 -12.542 0.845 1.00 0.00 O ATOM 0 H SER A 6 -7.384 -10.412 1.247 1.00 0.00 H new ATOM 0 HA SER A 6 -7.750 -12.822 2.758 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.779 -14.010 2.067 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.706 -13.688 0.615 1.00 0.00 H new ATOM 0 HG SER A 6 -4.459 -13.182 0.351 1.00 0.00 H new ATOM 59 N GLY A 7 -6.410 -11.645 4.459 1.00 0.00 N ATOM 60 CA GLY A 7 -5.663 -10.928 5.476 1.00 0.00 C ATOM 61 C GLY A 7 -6.525 -10.531 6.658 1.00 0.00 C ATOM 62 O GLY A 7 -6.449 -9.401 7.139 1.00 0.00 O ATOM 0 H GLY A 7 -7.109 -12.295 4.819 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -4.839 -11.551 5.824 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.222 -10.034 5.036 1.00 0.00 H new ATOM 66 N ASN A 8 -7.351 -11.462 7.126 1.00 0.00 N ATOM 67 CA ASN A 8 -8.234 -11.203 8.258 1.00 0.00 C ATOM 68 C ASN A 8 -7.644 -11.765 9.547 1.00 0.00 C ATOM 69 O ASN A 8 -7.389 -12.965 9.656 1.00 0.00 O ATOM 70 CB ASN A 8 -9.613 -11.814 8.005 1.00 0.00 C ATOM 71 CG ASN A 8 -10.397 -12.020 9.286 1.00 0.00 C ATOM 72 OD1 ASN A 8 -10.011 -12.816 10.142 1.00 0.00 O ATOM 73 ND2 ASN A 8 -11.506 -11.302 9.423 1.00 0.00 N ATOM 0 H ASN A 8 -7.427 -12.403 6.739 1.00 0.00 H new ATOM 0 HA ASN A 8 -8.337 -10.123 8.368 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -10.178 -11.164 7.337 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -9.496 -12.771 7.496 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -12.076 -11.399 10.264 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -11.788 -10.654 8.688 1.00 0.00 H new ATOM 80 N THR A 9 -7.432 -10.889 10.525 1.00 0.00 N ATOM 81 CA THR A 9 -6.872 -11.296 11.807 1.00 0.00 C ATOM 82 C THR A 9 -7.326 -10.366 12.926 1.00 0.00 C ATOM 83 O THR A 9 -7.853 -10.813 13.945 1.00 0.00 O ATOM 84 CB THR A 9 -5.333 -11.320 11.767 1.00 0.00 C ATOM 85 OG1 THR A 9 -4.883 -12.201 10.733 1.00 0.00 O ATOM 86 CG2 THR A 9 -4.763 -11.768 13.104 1.00 0.00 C ATOM 0 H THR A 9 -7.640 -9.893 10.453 1.00 0.00 H new ATOM 0 HA THR A 9 -7.238 -12.304 12.005 1.00 0.00 H new ATOM 0 HB THR A 9 -4.982 -10.309 11.561 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.903 -12.209 10.713 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.674 -11.777 13.051 1.00 0.00 H new ATOM 0 HG22 THR A 9 -5.082 -11.078 13.885 1.00 0.00 H new ATOM 0 HG23 THR A 9 -5.123 -12.770 13.336 1.00 0.00 H new ATOM 94 N LYS A 10 -7.118 -9.068 12.730 1.00 0.00 N ATOM 95 CA LYS A 10 -7.508 -8.072 13.721 1.00 0.00 C ATOM 96 C LYS A 10 -8.178 -6.874 13.054 1.00 0.00 C ATOM 97 O LYS A 10 -9.269 -6.463 13.449 1.00 0.00 O ATOM 98 CB LYS A 10 -6.285 -7.608 14.516 1.00 0.00 C ATOM 99 CG LYS A 10 -6.042 -8.413 15.781 1.00 0.00 C ATOM 100 CD LYS A 10 -6.887 -7.903 16.937 1.00 0.00 C ATOM 101 CE LYS A 10 -6.717 -8.768 18.176 1.00 0.00 C ATOM 102 NZ LYS A 10 -6.385 -7.956 19.379 1.00 0.00 N ATOM 0 H LYS A 10 -6.681 -8.681 11.893 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.223 -8.534 14.402 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.402 -7.672 13.879 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.411 -6.558 14.782 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.272 -9.462 15.596 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.987 -8.361 16.050 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.607 -6.875 17.168 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.937 -7.889 16.643 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.635 -9.327 18.357 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -5.928 -9.499 18.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.277 -8.583 20.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.496 -7.442 19.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.150 -7.275 19.560 1.00 0.00 H new ATOM 116 N GLN A 11 -7.517 -6.320 12.042 1.00 0.00 N ATOM 117 CA GLN A 11 -8.051 -5.170 11.322 1.00 0.00 C ATOM 118 C GLN A 11 -7.968 -3.907 12.173 1.00 0.00 C ATOM 119 O GLN A 11 -7.548 -3.953 13.331 1.00 0.00 O ATOM 120 CB GLN A 11 -9.501 -5.427 10.909 1.00 0.00 C ATOM 121 CG GLN A 11 -9.723 -5.380 9.406 1.00 0.00 C ATOM 122 CD GLN A 11 -8.823 -6.339 8.653 1.00 0.00 C ATOM 123 OE1 GLN A 11 -8.201 -7.220 9.246 1.00 0.00 O ATOM 124 NE2 GLN A 11 -8.749 -6.173 7.337 1.00 0.00 N ATOM 0 H GLN A 11 -6.613 -6.648 11.703 1.00 0.00 H new ATOM 0 HA GLN A 11 -7.447 -5.023 10.427 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.809 -6.403 11.283 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.143 -4.686 11.386 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -10.764 -5.618 9.189 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -9.547 -4.366 9.048 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -9.282 -5.429 6.886 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -8.159 -6.789 6.778 1.00 0.00 H new ATOM 133 N LEU A 12 -8.370 -2.782 11.594 1.00 0.00 N ATOM 134 CA LEU A 12 -8.341 -1.505 12.299 1.00 0.00 C ATOM 135 C LEU A 12 -9.666 -0.765 12.140 1.00 0.00 C ATOM 136 O LEU A 12 -10.107 -0.497 11.022 1.00 0.00 O ATOM 137 CB LEU A 12 -7.193 -0.639 11.781 1.00 0.00 C ATOM 138 CG LEU A 12 -5.790 -1.042 12.234 1.00 0.00 C ATOM 139 CD1 LEU A 12 -4.780 -0.797 11.124 1.00 0.00 C ATOM 140 CD2 LEU A 12 -5.396 -0.283 13.494 1.00 0.00 C ATOM 0 H LEU A 12 -8.720 -2.727 10.638 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.184 -1.707 13.359 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.219 -0.651 10.691 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.372 0.390 12.093 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.796 -2.108 12.464 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.787 -1.090 11.465 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.052 -1.386 10.248 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.777 0.261 10.862 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.394 -0.583 13.801 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.408 0.788 13.292 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.103 -0.510 14.292 1.00 0.00 H new ATOM 152 N ARG A 13 -10.293 -0.435 13.264 1.00 0.00 N ATOM 153 CA ARG A 13 -11.566 0.275 13.248 1.00 0.00 C ATOM 154 C ARG A 13 -11.393 1.687 12.696 1.00 0.00 C ATOM 155 O ARG A 13 -10.583 2.467 13.198 1.00 0.00 O ATOM 156 CB ARG A 13 -12.158 0.336 14.658 1.00 0.00 C ATOM 157 CG ARG A 13 -13.163 -0.767 14.944 1.00 0.00 C ATOM 158 CD ARG A 13 -14.584 -0.226 14.998 1.00 0.00 C ATOM 159 NE ARG A 13 -15.393 -0.913 16.000 1.00 0.00 N ATOM 160 CZ ARG A 13 -16.625 -0.542 16.331 1.00 0.00 C ATOM 161 NH1 ARG A 13 -17.186 0.504 15.740 1.00 0.00 N ATOM 162 NH2 ARG A 13 -17.297 -1.217 17.254 1.00 0.00 N ATOM 0 H ARG A 13 -9.940 -0.648 14.197 1.00 0.00 H new ATOM 0 HA ARG A 13 -12.250 -0.270 12.598 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -11.349 0.276 15.386 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -12.642 1.302 14.798 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.093 -1.533 14.172 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.919 -1.246 15.892 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.558 0.840 15.222 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -15.051 -0.334 14.019 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.990 -1.723 16.472 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -16.672 1.025 15.030 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -18.132 0.787 15.995 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -16.868 -2.022 17.711 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -18.243 -0.931 17.507 1.00 0.00 H new ATOM 176 N PHE A 14 -12.159 2.009 11.660 1.00 0.00 N ATOM 177 CA PHE A 14 -12.090 3.327 11.038 1.00 0.00 C ATOM 178 C PHE A 14 -12.031 4.425 12.095 1.00 0.00 C ATOM 179 O PHE A 14 -11.290 5.398 11.954 1.00 0.00 O ATOM 180 CB PHE A 14 -13.298 3.548 10.124 1.00 0.00 C ATOM 181 CG PHE A 14 -13.346 4.920 9.515 1.00 0.00 C ATOM 182 CD1 PHE A 14 -12.656 5.197 8.346 1.00 0.00 C ATOM 183 CD2 PHE A 14 -14.081 5.931 10.111 1.00 0.00 C ATOM 184 CE1 PHE A 14 -12.699 6.459 7.783 1.00 0.00 C ATOM 185 CE2 PHE A 14 -14.128 7.195 9.553 1.00 0.00 C ATOM 186 CZ PHE A 14 -13.436 7.459 8.387 1.00 0.00 C ATOM 0 H PHE A 14 -12.835 1.376 11.233 1.00 0.00 H new ATOM 0 HA PHE A 14 -11.179 3.372 10.441 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -13.280 2.806 9.326 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -14.211 3.381 10.695 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -12.078 4.419 7.869 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -14.624 5.730 11.023 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -12.157 6.663 6.872 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -14.705 7.975 10.028 1.00 0.00 H new ATOM 0 HZ PHE A 14 -13.471 8.445 7.948 1.00 0.00 H new ATOM 196 N GLU A 15 -12.817 4.261 13.155 1.00 0.00 N ATOM 197 CA GLU A 15 -12.855 5.239 14.236 1.00 0.00 C ATOM 198 C GLU A 15 -11.491 5.358 14.910 1.00 0.00 C ATOM 199 O GLU A 15 -11.062 6.450 15.282 1.00 0.00 O ATOM 200 CB GLU A 15 -13.915 4.851 15.268 1.00 0.00 C ATOM 201 CG GLU A 15 -15.337 4.927 14.738 1.00 0.00 C ATOM 202 CD GLU A 15 -16.330 4.204 15.627 1.00 0.00 C ATOM 203 OE1 GLU A 15 -16.694 4.761 16.685 1.00 0.00 O ATOM 204 OE2 GLU A 15 -16.744 3.083 15.266 1.00 0.00 O ATOM 0 H GLU A 15 -13.435 3.461 13.288 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.114 6.207 13.807 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.719 3.836 15.614 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.824 5.506 16.134 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -15.631 5.973 14.646 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -15.371 4.497 13.737 1.00 0.00 H new ATOM 211 N ASP A 16 -10.815 4.225 15.067 1.00 0.00 N ATOM 212 CA ASP A 16 -9.499 4.199 15.697 1.00 0.00 C ATOM 213 C ASP A 16 -8.426 4.692 14.731 1.00 0.00 C ATOM 214 O ASP A 16 -7.445 5.312 15.142 1.00 0.00 O ATOM 215 CB ASP A 16 -9.166 2.784 16.172 1.00 0.00 C ATOM 216 CG ASP A 16 -8.978 2.708 17.675 1.00 0.00 C ATOM 217 OD1 ASP A 16 -9.981 2.853 18.405 1.00 0.00 O ATOM 218 OD2 ASP A 16 -7.830 2.503 18.120 1.00 0.00 O ATOM 0 H ASP A 16 -11.156 3.312 14.767 1.00 0.00 H new ATOM 0 HA ASP A 16 -9.521 4.866 16.559 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.966 2.106 15.874 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.257 2.442 15.677 1.00 0.00 H new ATOM 223 N VAL A 17 -8.618 4.412 13.447 1.00 0.00 N ATOM 224 CA VAL A 17 -7.666 4.826 12.422 1.00 0.00 C ATOM 225 C VAL A 17 -7.661 6.341 12.258 1.00 0.00 C ATOM 226 O VAL A 17 -6.633 6.939 11.941 1.00 0.00 O ATOM 227 CB VAL A 17 -7.984 4.175 11.064 1.00 0.00 C ATOM 228 CG1 VAL A 17 -7.214 4.863 9.948 1.00 0.00 C ATOM 229 CG2 VAL A 17 -7.672 2.686 11.100 1.00 0.00 C ATOM 0 H VAL A 17 -9.425 3.900 13.090 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.681 4.495 12.753 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.049 4.294 10.865 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.452 4.389 8.996 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.493 5.916 9.909 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.144 4.778 10.138 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.903 2.242 10.132 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.615 2.541 11.323 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.274 2.207 11.872 1.00 0.00 H new ATOM 239 N VAL A 18 -8.818 6.960 12.477 1.00 0.00 N ATOM 240 CA VAL A 18 -8.948 8.406 12.356 1.00 0.00 C ATOM 241 C VAL A 18 -8.557 9.104 13.654 1.00 0.00 C ATOM 242 O VAL A 18 -9.167 10.099 14.043 1.00 0.00 O ATOM 243 CB VAL A 18 -10.386 8.812 11.980 1.00 0.00 C ATOM 244 CG1 VAL A 18 -10.788 8.185 10.654 1.00 0.00 C ATOM 245 CG2 VAL A 18 -11.355 8.417 13.083 1.00 0.00 C ATOM 0 H VAL A 18 -9.679 6.480 12.739 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.271 8.718 11.561 1.00 0.00 H new ATOM 0 HB VAL A 18 -10.423 9.896 11.867 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -11.806 8.483 10.405 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -10.109 8.523 9.871 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.737 7.099 10.735 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -12.366 8.711 12.801 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -11.319 7.338 13.230 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -11.076 8.919 14.009 1.00 0.00 H new ATOM 255 N ASN A 19 -7.536 8.575 14.319 1.00 0.00 N ATOM 256 CA ASN A 19 -7.062 9.148 15.574 1.00 0.00 C ATOM 257 C ASN A 19 -5.615 8.747 15.845 1.00 0.00 C ATOM 258 O ASN A 19 -4.833 9.534 16.376 1.00 0.00 O ATOM 259 CB ASN A 19 -7.954 8.695 16.733 1.00 0.00 C ATOM 260 CG ASN A 19 -9.079 9.672 17.013 1.00 0.00 C ATOM 261 OD1 ASN A 19 -9.144 10.748 16.417 1.00 0.00 O ATOM 262 ND2 ASN A 19 -9.972 9.301 17.924 1.00 0.00 N ATOM 0 H ASN A 19 -7.021 7.751 14.010 1.00 0.00 H new ATOM 0 HA ASN A 19 -7.109 10.234 15.489 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -8.375 7.716 16.503 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -7.347 8.577 17.631 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.751 9.917 18.155 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -9.878 8.400 18.393 1.00 0.00 H new ATOM 269 N GLN A 20 -5.268 7.518 15.474 1.00 0.00 N ATOM 270 CA GLN A 20 -3.916 7.013 15.675 1.00 0.00 C ATOM 271 C GLN A 20 -2.888 8.129 15.513 1.00 0.00 C ATOM 272 O GLN A 20 -1.982 8.276 16.334 1.00 0.00 O ATOM 273 CB GLN A 20 -3.618 5.882 14.689 1.00 0.00 C ATOM 274 CG GLN A 20 -4.089 4.518 15.168 1.00 0.00 C ATOM 275 CD GLN A 20 -3.886 3.434 14.129 1.00 0.00 C ATOM 276 OE1 GLN A 20 -4.143 3.638 12.943 1.00 0.00 O ATOM 277 NE2 GLN A 20 -3.422 2.270 14.570 1.00 0.00 N ATOM 0 H GLN A 20 -5.905 6.855 15.033 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.848 6.626 16.692 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.095 6.108 13.735 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -2.544 5.843 14.507 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.550 4.250 16.077 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.146 4.573 15.428 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.222 2.144 15.562 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.266 1.503 13.916 1.00 0.00 H new ATOM 286 N SER A 21 -3.035 8.912 14.449 1.00 0.00 N ATOM 287 CA SER A 21 -2.118 10.012 14.178 1.00 0.00 C ATOM 288 C SER A 21 -2.876 11.326 14.021 1.00 0.00 C ATOM 289 O SER A 21 -4.059 11.337 13.679 1.00 0.00 O ATOM 290 CB SER A 21 -1.305 9.725 12.912 1.00 0.00 C ATOM 291 OG SER A 21 -0.349 8.704 13.142 1.00 0.00 O ATOM 0 H SER A 21 -3.780 8.805 13.761 1.00 0.00 H new ATOM 0 HA SER A 21 -1.439 10.104 15.026 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.975 9.426 12.106 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.800 10.634 12.586 1.00 0.00 H new ATOM 0 HG SER A 21 0.351 8.751 12.458 1.00 0.00 H new ATOM 297 N SER A 22 -2.186 12.433 14.273 1.00 0.00 N ATOM 298 CA SER A 22 -2.794 13.755 14.165 1.00 0.00 C ATOM 299 C SER A 22 -3.676 13.846 12.922 1.00 0.00 C ATOM 300 O SER A 22 -3.361 13.303 11.864 1.00 0.00 O ATOM 301 CB SER A 22 -1.713 14.835 14.116 1.00 0.00 C ATOM 302 OG SER A 22 -2.278 16.129 14.238 1.00 0.00 O ATOM 0 H SER A 22 -1.205 12.442 14.553 1.00 0.00 H new ATOM 0 HA SER A 22 -3.417 13.915 15.045 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.995 14.671 14.919 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.164 14.762 13.177 1.00 0.00 H new ATOM 0 HG SER A 22 -2.439 16.328 15.184 1.00 0.00 H new ATOM 308 N PRO A 23 -4.810 14.552 13.054 1.00 0.00 N ATOM 309 CA PRO A 23 -5.762 14.732 11.954 1.00 0.00 C ATOM 310 C PRO A 23 -5.212 15.634 10.854 1.00 0.00 C ATOM 311 O PRO A 23 -5.551 15.478 9.681 1.00 0.00 O ATOM 312 CB PRO A 23 -6.967 15.388 12.632 1.00 0.00 C ATOM 313 CG PRO A 23 -6.402 16.076 13.826 1.00 0.00 C ATOM 314 CD PRO A 23 -5.249 15.227 14.286 1.00 0.00 C ATOM 0 HA PRO A 23 -5.996 13.790 11.458 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -7.461 16.095 11.965 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -7.712 14.646 12.918 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -6.069 17.083 13.575 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.152 16.174 14.611 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -4.452 15.832 14.719 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.556 14.511 15.049 1.00 0.00 H new ATOM 322 N LYS A 24 -4.362 16.579 11.241 1.00 0.00 N ATOM 323 CA LYS A 24 -3.763 17.507 10.289 1.00 0.00 C ATOM 324 C LYS A 24 -2.855 16.770 9.309 1.00 0.00 C ATOM 325 O LYS A 24 -2.987 16.916 8.095 1.00 0.00 O ATOM 326 CB LYS A 24 -2.967 18.585 11.026 1.00 0.00 C ATOM 327 CG LYS A 24 -3.796 19.798 11.412 1.00 0.00 C ATOM 328 CD LYS A 24 -4.305 19.694 12.839 1.00 0.00 C ATOM 329 CE LYS A 24 -5.746 20.167 12.954 1.00 0.00 C ATOM 330 NZ LYS A 24 -6.361 19.766 14.249 1.00 0.00 N ATOM 0 H LYS A 24 -4.072 16.722 12.208 1.00 0.00 H new ATOM 0 HA LYS A 24 -4.568 17.980 9.727 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.532 18.151 11.927 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -2.139 18.908 10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -3.194 20.700 11.304 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.640 19.895 10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -4.232 18.660 13.178 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.672 20.290 13.496 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.781 21.252 12.856 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.330 19.754 12.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -7.354 19.499 14.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.842 18.955 14.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.317 20.563 14.916 1.00 0.00 H new ATOM 344 N ASN A 25 -1.932 15.977 9.846 1.00 0.00 N ATOM 345 CA ASN A 25 -1.002 15.217 9.019 1.00 0.00 C ATOM 346 C ASN A 25 -1.634 13.909 8.552 1.00 0.00 C ATOM 347 O ASN A 25 -1.735 12.949 9.316 1.00 0.00 O ATOM 348 CB ASN A 25 0.284 14.926 9.796 1.00 0.00 C ATOM 349 CG ASN A 25 0.936 13.627 9.368 1.00 0.00 C ATOM 350 OD1 ASN A 25 0.575 12.536 10.034 1.00 0.00 O flip ATOM 351 ND2 ASN A 25 1.756 13.603 8.449 1.00 0.00 N flip ATOM 0 H ASN A 25 -1.809 15.845 10.850 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.761 15.817 8.142 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.986 15.747 9.651 1.00 0.00 H new ATOM 0 HB3 ASN A 25 0.059 14.883 10.862 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.004 14.465 7.964 1.00 0.00 H new ATOM 0 HD22 ASN A 25 2.187 12.721 8.173 1.00 0.00 H new ATOM 358 N CYS A 26 -2.055 13.879 7.293 1.00 0.00 N ATOM 359 CA CYS A 26 -2.678 12.690 6.723 1.00 0.00 C ATOM 360 C CYS A 26 -1.746 12.017 5.720 1.00 0.00 C ATOM 361 O CYS A 26 -1.597 12.478 4.588 1.00 0.00 O ATOM 362 CB CYS A 26 -3.999 13.055 6.044 1.00 0.00 C ATOM 363 SG CYS A 26 -4.864 14.443 6.814 1.00 0.00 S ATOM 0 H CYS A 26 -1.976 14.665 6.647 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.877 11.990 7.534 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -3.804 13.297 4.999 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.653 12.183 6.053 1.00 0.00 H new ATOM 0 HG CYS A 26 -4.797 14.332 8.108 1.00 0.00 H new ATOM 369 N THR A 27 -1.119 10.924 6.143 1.00 0.00 N ATOM 370 CA THR A 27 -0.200 10.188 5.284 1.00 0.00 C ATOM 371 C THR A 27 -0.526 8.700 5.276 1.00 0.00 C ATOM 372 O THR A 27 -0.978 8.147 6.280 1.00 0.00 O ATOM 373 CB THR A 27 1.262 10.380 5.731 1.00 0.00 C ATOM 374 OG1 THR A 27 1.594 11.773 5.742 1.00 0.00 O ATOM 375 CG2 THR A 27 2.213 9.634 4.807 1.00 0.00 C ATOM 0 H THR A 27 -1.231 10.529 7.077 1.00 0.00 H new ATOM 0 HA THR A 27 -0.320 10.588 4.277 1.00 0.00 H new ATOM 0 HB THR A 27 1.366 9.975 6.738 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.524 11.885 6.029 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.239 9.784 5.143 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.978 8.570 4.825 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.104 10.013 3.791 1.00 0.00 H new ATOM 383 N VAL A 28 -0.294 8.054 4.138 1.00 0.00 N ATOM 384 CA VAL A 28 -0.563 6.628 4.000 1.00 0.00 C ATOM 385 C VAL A 28 0.686 5.874 3.554 1.00 0.00 C ATOM 386 O VAL A 28 1.110 5.983 2.404 1.00 0.00 O ATOM 387 CB VAL A 28 -1.696 6.364 2.990 1.00 0.00 C ATOM 388 CG1 VAL A 28 -1.874 4.871 2.765 1.00 0.00 C ATOM 389 CG2 VAL A 28 -2.993 6.999 3.468 1.00 0.00 C ATOM 0 H VAL A 28 0.080 8.496 3.298 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.871 6.268 4.982 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.425 6.820 2.038 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.679 4.704 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -0.948 4.449 2.375 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.123 4.388 3.710 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -3.783 6.803 2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.272 6.575 4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -2.855 8.075 3.572 1.00 0.00 H new ATOM 399 N TYR A 29 1.268 5.111 4.471 1.00 0.00 N ATOM 400 CA TYR A 29 2.470 4.340 4.174 1.00 0.00 C ATOM 401 C TYR A 29 2.112 2.955 3.645 1.00 0.00 C ATOM 402 O TYR A 29 1.440 2.174 4.322 1.00 0.00 O ATOM 403 CB TYR A 29 3.341 4.211 5.424 1.00 0.00 C ATOM 404 CG TYR A 29 4.589 3.384 5.211 1.00 0.00 C ATOM 405 CD1 TYR A 29 4.552 1.999 5.304 1.00 0.00 C ATOM 406 CD2 TYR A 29 5.804 3.989 4.916 1.00 0.00 C ATOM 407 CE1 TYR A 29 5.690 1.240 5.110 1.00 0.00 C ATOM 408 CE2 TYR A 29 6.947 3.237 4.719 1.00 0.00 C ATOM 409 CZ TYR A 29 6.884 1.863 4.817 1.00 0.00 C ATOM 410 OH TYR A 29 8.020 1.112 4.623 1.00 0.00 O ATOM 0 H TYR A 29 0.927 5.009 5.427 1.00 0.00 H new ATOM 0 HA TYR A 29 3.029 4.870 3.403 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.629 5.207 5.760 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.751 3.763 6.223 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.618 1.507 5.532 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.857 5.065 4.839 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.644 0.164 5.188 1.00 0.00 H new ATOM 0 HE2 TYR A 29 7.884 3.723 4.490 1.00 0.00 H new ATOM 0 HH TYR A 29 8.709 1.664 4.197 1.00 0.00 H new ATOM 420 N CYS A 30 2.564 2.657 2.433 1.00 0.00 N ATOM 421 CA CYS A 30 2.292 1.366 1.811 1.00 0.00 C ATOM 422 C CYS A 30 3.555 0.512 1.755 1.00 0.00 C ATOM 423 O CYS A 30 4.471 0.791 0.983 1.00 0.00 O ATOM 424 CB CYS A 30 1.732 1.562 0.401 1.00 0.00 C ATOM 425 SG CYS A 30 1.374 0.021 -0.473 1.00 0.00 S ATOM 0 H CYS A 30 3.121 3.292 1.861 1.00 0.00 H new ATOM 0 HA CYS A 30 1.551 0.848 2.419 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.818 2.152 0.464 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.446 2.142 -0.184 1.00 0.00 H new ATOM 0 HG CYS A 30 1.028 0.287 -1.698 1.00 0.00 H new ATOM 431 N GLY A 31 3.596 -0.529 2.581 1.00 0.00 N ATOM 432 CA GLY A 31 4.752 -1.407 2.611 1.00 0.00 C ATOM 433 C GLY A 31 4.405 -2.836 2.246 1.00 0.00 C ATOM 434 O GLY A 31 3.433 -3.394 2.752 1.00 0.00 O ATOM 0 H GLY A 31 2.850 -0.780 3.230 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.507 -1.032 1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 31 5.194 -1.387 3.607 1.00 0.00 H new ATOM 438 N GLY A 32 5.201 -3.430 1.362 1.00 0.00 N ATOM 439 CA GLY A 32 4.955 -4.798 0.945 1.00 0.00 C ATOM 440 C GLY A 32 5.466 -5.078 -0.455 1.00 0.00 C ATOM 441 O GLY A 32 6.263 -5.993 -0.660 1.00 0.00 O ATOM 0 H GLY A 32 6.011 -2.988 0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 32 5.435 -5.480 1.647 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.885 -5.000 0.985 1.00 0.00 H new ATOM 445 N ILE A 33 5.006 -4.288 -1.420 1.00 0.00 N ATOM 446 CA ILE A 33 5.421 -4.456 -2.807 1.00 0.00 C ATOM 447 C ILE A 33 6.923 -4.238 -2.961 1.00 0.00 C ATOM 448 O ILE A 33 7.529 -3.469 -2.216 1.00 0.00 O ATOM 449 CB ILE A 33 4.674 -3.484 -3.740 1.00 0.00 C ATOM 450 CG1 ILE A 33 3.169 -3.548 -3.478 1.00 0.00 C ATOM 451 CG2 ILE A 33 4.980 -3.807 -5.194 1.00 0.00 C ATOM 452 CD1 ILE A 33 2.495 -2.194 -3.495 1.00 0.00 C ATOM 0 H ILE A 33 4.346 -3.526 -1.266 1.00 0.00 H new ATOM 0 HA ILE A 33 5.174 -5.479 -3.089 1.00 0.00 H new ATOM 0 HB ILE A 33 5.016 -2.470 -3.535 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.704 -4.186 -4.230 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.997 -4.019 -2.510 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.445 -3.112 -5.841 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.052 -3.715 -5.369 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.663 -4.826 -5.415 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.429 -2.316 -3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.933 -1.560 -2.724 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.636 -1.729 -4.471 1.00 0.00 H new ATOM 464 N ALA A 34 7.517 -4.919 -3.934 1.00 0.00 N ATOM 465 CA ALA A 34 8.947 -4.798 -4.190 1.00 0.00 C ATOM 466 C ALA A 34 9.266 -5.046 -5.661 1.00 0.00 C ATOM 467 O ALA A 34 10.119 -4.376 -6.241 1.00 0.00 O ATOM 468 CB ALA A 34 9.724 -5.766 -3.310 1.00 0.00 C ATOM 0 H ALA A 34 7.030 -5.561 -4.559 1.00 0.00 H new ATOM 0 HA ALA A 34 9.249 -3.779 -3.947 1.00 0.00 H new ATOM 0 HB1 ALA A 34 10.790 -5.665 -3.511 1.00 0.00 H new ATOM 0 HB2 ALA A 34 9.530 -5.540 -2.261 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.409 -6.787 -3.526 1.00 0.00 H new ATOM 474 N SER A 35 8.575 -6.013 -6.256 1.00 0.00 N ATOM 475 CA SER A 35 8.787 -6.351 -7.658 1.00 0.00 C ATOM 476 C SER A 35 7.720 -5.710 -8.540 1.00 0.00 C ATOM 477 O SER A 35 7.813 -5.737 -9.766 1.00 0.00 O ATOM 478 CB SER A 35 8.776 -7.870 -7.845 1.00 0.00 C ATOM 479 OG SER A 35 10.089 -8.372 -8.021 1.00 0.00 O ATOM 0 H SER A 35 7.864 -6.576 -5.789 1.00 0.00 H new ATOM 0 HA SER A 35 9.760 -5.962 -7.957 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.316 -8.343 -6.977 1.00 0.00 H new ATOM 0 HB3 SER A 35 8.166 -8.129 -8.710 1.00 0.00 H new ATOM 0 HG SER A 35 10.055 -9.345 -8.137 1.00 0.00 H new ATOM 485 N GLY A 36 6.704 -5.134 -7.905 1.00 0.00 N ATOM 486 CA GLY A 36 5.633 -4.495 -8.646 1.00 0.00 C ATOM 487 C GLY A 36 5.244 -3.151 -8.060 1.00 0.00 C ATOM 488 O GLY A 36 4.062 -2.810 -8.001 1.00 0.00 O ATOM 0 H GLY A 36 6.604 -5.099 -6.891 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.942 -4.360 -9.682 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.761 -5.150 -8.656 1.00 0.00 H new ATOM 492 N LEU A 37 6.240 -2.388 -7.626 1.00 0.00 N ATOM 493 CA LEU A 37 5.996 -1.074 -7.040 1.00 0.00 C ATOM 494 C LEU A 37 6.099 0.022 -8.098 1.00 0.00 C ATOM 495 O LEU A 37 7.185 0.320 -8.596 1.00 0.00 O ATOM 496 CB LEU A 37 6.995 -0.804 -5.912 1.00 0.00 C ATOM 497 CG LEU A 37 6.446 -0.053 -4.698 1.00 0.00 C ATOM 498 CD1 LEU A 37 7.530 0.810 -4.070 1.00 0.00 C ATOM 499 CD2 LEU A 37 5.248 0.798 -5.092 1.00 0.00 C ATOM 0 H LEU A 37 7.223 -2.655 -7.668 1.00 0.00 H new ATOM 0 HA LEU A 37 4.985 -1.067 -6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.397 -1.759 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.829 -0.234 -6.321 1.00 0.00 H new ATOM 0 HG LEU A 37 6.119 -0.786 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 37 7.122 1.337 -3.208 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.358 0.178 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.888 1.534 -4.802 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.872 1.325 -4.215 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.549 1.522 -5.849 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.464 0.158 -5.495 1.00 0.00 H new ATOM 511 N THR A 38 4.961 0.619 -8.435 1.00 0.00 N ATOM 512 CA THR A 38 4.922 1.682 -9.432 1.00 0.00 C ATOM 513 C THR A 38 3.931 2.771 -9.036 1.00 0.00 C ATOM 514 O THR A 38 2.870 2.486 -8.480 1.00 0.00 O ATOM 515 CB THR A 38 4.540 1.136 -10.820 1.00 0.00 C ATOM 516 OG1 THR A 38 3.245 0.526 -10.767 1.00 0.00 O ATOM 517 CG2 THR A 38 5.564 0.121 -11.304 1.00 0.00 C ATOM 0 H THR A 38 4.054 0.385 -8.032 1.00 0.00 H new ATOM 0 HA THR A 38 5.924 2.107 -9.480 1.00 0.00 H new ATOM 0 HB THR A 38 4.520 1.971 -11.521 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.009 0.183 -11.654 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.272 -0.250 -12.286 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.543 0.596 -11.372 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.612 -0.711 -10.601 1.00 0.00 H new ATOM 525 N ASP A 39 4.283 4.018 -9.326 1.00 0.00 N ATOM 526 CA ASP A 39 3.423 5.151 -9.003 1.00 0.00 C ATOM 527 C ASP A 39 2.018 4.943 -9.559 1.00 0.00 C ATOM 528 O ASP A 39 1.040 5.434 -8.998 1.00 0.00 O ATOM 529 CB ASP A 39 4.018 6.445 -9.557 1.00 0.00 C ATOM 530 CG ASP A 39 4.032 7.562 -8.532 1.00 0.00 C ATOM 531 OD1 ASP A 39 4.908 7.538 -7.640 1.00 0.00 O ATOM 532 OD2 ASP A 39 3.168 8.459 -8.619 1.00 0.00 O ATOM 0 H ASP A 39 5.158 4.271 -9.784 1.00 0.00 H new ATOM 0 HA ASP A 39 3.357 5.227 -7.918 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.036 6.256 -9.898 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.444 6.762 -10.427 1.00 0.00 H new ATOM 537 N GLN A 40 1.928 4.214 -10.667 1.00 0.00 N ATOM 538 CA GLN A 40 0.643 3.943 -11.301 1.00 0.00 C ATOM 539 C GLN A 40 -0.181 2.967 -10.466 1.00 0.00 C ATOM 540 O GLN A 40 -1.412 3.003 -10.487 1.00 0.00 O ATOM 541 CB GLN A 40 0.852 3.380 -12.707 1.00 0.00 C ATOM 542 CG GLN A 40 -0.425 3.301 -13.527 1.00 0.00 C ATOM 543 CD GLN A 40 -0.169 3.408 -15.018 1.00 0.00 C ATOM 544 OE1 GLN A 40 0.806 2.861 -15.533 1.00 0.00 O ATOM 545 NE2 GLN A 40 -1.048 4.115 -15.719 1.00 0.00 N ATOM 0 H GLN A 40 2.729 3.801 -11.144 1.00 0.00 H new ATOM 0 HA GLN A 40 0.096 4.883 -11.372 1.00 0.00 H new ATOM 0 HB2 GLN A 40 1.575 4.002 -13.235 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.286 2.383 -12.629 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.930 2.359 -13.316 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -1.100 4.100 -13.220 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.842 4.551 -15.250 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.929 4.222 -16.726 1.00 0.00 H new ATOM 554 N LEU A 41 0.506 2.098 -9.735 1.00 0.00 N ATOM 555 CA LEU A 41 -0.162 1.111 -8.893 1.00 0.00 C ATOM 556 C LEU A 41 -0.819 1.778 -7.688 1.00 0.00 C ATOM 557 O LEU A 41 -2.007 1.586 -7.431 1.00 0.00 O ATOM 558 CB LEU A 41 0.837 0.052 -8.423 1.00 0.00 C ATOM 559 CG LEU A 41 0.272 -1.056 -7.534 1.00 0.00 C ATOM 560 CD1 LEU A 41 -0.726 -1.905 -8.307 1.00 0.00 C ATOM 561 CD2 LEU A 41 1.395 -1.921 -6.982 1.00 0.00 C ATOM 0 H LEU A 41 1.525 2.056 -9.708 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.939 0.630 -9.487 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.287 -0.409 -9.302 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.638 0.553 -7.880 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.249 -0.593 -6.696 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.117 -2.688 -7.658 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.547 -1.277 -8.653 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.230 -2.359 -9.165 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.975 -2.704 -6.351 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.944 -2.375 -7.807 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.072 -1.304 -6.391 1.00 0.00 H new ATOM 573 N MET A 42 -0.036 2.562 -6.953 1.00 0.00 N ATOM 574 CA MET A 42 -0.542 3.260 -5.777 1.00 0.00 C ATOM 575 C MET A 42 -1.609 4.278 -6.167 1.00 0.00 C ATOM 576 O MET A 42 -2.614 4.434 -5.474 1.00 0.00 O ATOM 577 CB MET A 42 0.602 3.959 -5.042 1.00 0.00 C ATOM 578 CG MET A 42 1.609 2.999 -4.430 1.00 0.00 C ATOM 579 SD MET A 42 0.851 1.842 -3.271 1.00 0.00 S ATOM 580 CE MET A 42 0.662 0.396 -4.312 1.00 0.00 C ATOM 0 H MET A 42 0.950 2.729 -7.151 1.00 0.00 H new ATOM 0 HA MET A 42 -0.994 2.523 -5.113 1.00 0.00 H new ATOM 0 HB2 MET A 42 1.119 4.620 -5.737 1.00 0.00 H new ATOM 0 HB3 MET A 42 0.186 4.587 -4.254 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.102 2.440 -5.225 1.00 0.00 H new ATOM 0 HG3 MET A 42 2.382 3.569 -3.915 1.00 0.00 H new ATOM 0 HE1 MET A 42 0.408 -0.466 -3.695 1.00 0.00 H new ATOM 0 HE2 MET A 42 -0.133 0.571 -5.037 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.596 0.202 -4.839 1.00 0.00 H new ATOM 590 N ARG A 43 -1.384 4.969 -7.280 1.00 0.00 N ATOM 591 CA ARG A 43 -2.325 5.973 -7.760 1.00 0.00 C ATOM 592 C ARG A 43 -3.683 5.346 -8.061 1.00 0.00 C ATOM 593 O ARG A 43 -4.723 5.879 -7.677 1.00 0.00 O ATOM 594 CB ARG A 43 -1.778 6.658 -9.014 1.00 0.00 C ATOM 595 CG ARG A 43 -2.413 8.010 -9.296 1.00 0.00 C ATOM 596 CD ARG A 43 -1.936 8.583 -10.620 1.00 0.00 C ATOM 597 NE ARG A 43 -2.437 9.937 -10.843 1.00 0.00 N ATOM 598 CZ ARG A 43 -2.216 10.629 -11.955 1.00 0.00 C ATOM 599 NH1 ARG A 43 -1.507 10.097 -12.941 1.00 0.00 N ATOM 600 NH2 ARG A 43 -2.705 11.857 -12.082 1.00 0.00 N ATOM 0 H ARG A 43 -0.558 4.851 -7.866 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.454 6.718 -6.975 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -0.701 6.787 -8.907 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.937 6.005 -9.873 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -3.498 7.907 -9.312 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -2.170 8.702 -8.490 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.846 8.592 -10.639 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.264 7.936 -11.434 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.987 10.375 -10.104 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -1.130 9.154 -12.847 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.339 10.631 -13.794 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.251 12.269 -11.325 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.535 12.388 -12.936 1.00 0.00 H new ATOM 614 N GLN A 44 -3.663 4.210 -8.751 1.00 0.00 N ATOM 615 CA GLN A 44 -4.893 3.511 -9.104 1.00 0.00 C ATOM 616 C GLN A 44 -5.510 2.840 -7.882 1.00 0.00 C ATOM 617 O GLN A 44 -6.723 2.891 -7.677 1.00 0.00 O ATOM 618 CB GLN A 44 -4.618 2.466 -10.189 1.00 0.00 C ATOM 619 CG GLN A 44 -5.776 2.273 -11.155 1.00 0.00 C ATOM 620 CD GLN A 44 -5.412 1.388 -12.331 1.00 0.00 C ATOM 621 OE1 GLN A 44 -4.962 0.255 -12.154 1.00 0.00 O ATOM 622 NE2 GLN A 44 -5.606 1.900 -13.541 1.00 0.00 N ATOM 0 H GLN A 44 -2.810 3.755 -9.076 1.00 0.00 H new ATOM 0 HA GLN A 44 -5.600 4.247 -9.487 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.732 2.762 -10.751 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -4.389 1.512 -9.714 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.620 1.834 -10.622 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.103 3.245 -11.524 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.981 2.843 -13.642 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.380 1.350 -14.370 1.00 0.00 H new ATOM 631 N THR A 45 -4.666 2.210 -7.070 1.00 0.00 N ATOM 632 CA THR A 45 -5.127 1.528 -5.867 1.00 0.00 C ATOM 633 C THR A 45 -5.823 2.497 -4.918 1.00 0.00 C ATOM 634 O THR A 45 -6.828 2.156 -4.293 1.00 0.00 O ATOM 635 CB THR A 45 -3.961 0.848 -5.124 1.00 0.00 C ATOM 636 OG1 THR A 45 -3.499 -0.283 -5.870 1.00 0.00 O ATOM 637 CG2 THR A 45 -4.390 0.406 -3.733 1.00 0.00 C ATOM 0 H THR A 45 -3.659 2.158 -7.224 1.00 0.00 H new ATOM 0 HA THR A 45 -5.837 0.766 -6.189 1.00 0.00 H new ATOM 0 HB THR A 45 -3.151 1.571 -5.023 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.880 0.016 -6.568 1.00 0.00 H new ATOM 0 HG21 THR A 45 -3.550 -0.071 -3.228 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.713 1.274 -3.159 1.00 0.00 H new ATOM 0 HG23 THR A 45 -5.215 -0.302 -3.814 1.00 0.00 H new ATOM 645 N PHE A 46 -5.284 3.708 -4.814 1.00 0.00 N ATOM 646 CA PHE A 46 -5.854 4.727 -3.941 1.00 0.00 C ATOM 647 C PHE A 46 -6.764 5.668 -4.725 1.00 0.00 C ATOM 648 O PHE A 46 -7.626 6.335 -4.153 1.00 0.00 O ATOM 649 CB PHE A 46 -4.741 5.525 -3.260 1.00 0.00 C ATOM 650 CG PHE A 46 -3.900 4.704 -2.324 1.00 0.00 C ATOM 651 CD1 PHE A 46 -4.468 4.094 -1.217 1.00 0.00 C ATOM 652 CD2 PHE A 46 -2.543 4.543 -2.551 1.00 0.00 C ATOM 653 CE1 PHE A 46 -3.698 3.338 -0.354 1.00 0.00 C ATOM 654 CE2 PHE A 46 -1.768 3.787 -1.692 1.00 0.00 C ATOM 655 CZ PHE A 46 -2.345 3.185 -0.591 1.00 0.00 C ATOM 0 H PHE A 46 -4.453 4.007 -5.324 1.00 0.00 H new ATOM 0 HA PHE A 46 -6.450 4.225 -3.179 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -4.098 5.962 -4.024 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.185 6.352 -2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.525 4.211 -1.027 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.086 5.013 -3.409 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.153 2.867 0.505 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.712 3.667 -1.882 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.740 2.596 0.083 1.00 0.00 H new ATOM 665 N SER A 47 -6.565 5.715 -6.039 1.00 0.00 N ATOM 666 CA SER A 47 -7.365 6.578 -6.902 1.00 0.00 C ATOM 667 C SER A 47 -8.804 6.660 -6.404 1.00 0.00 C ATOM 668 O SER A 47 -9.327 7.736 -6.112 1.00 0.00 O ATOM 669 CB SER A 47 -7.339 6.059 -8.341 1.00 0.00 C ATOM 670 OG SER A 47 -8.558 6.343 -9.007 1.00 0.00 O ATOM 0 H SER A 47 -5.858 5.167 -6.529 1.00 0.00 H new ATOM 0 HA SER A 47 -6.933 7.578 -6.876 1.00 0.00 H new ATOM 0 HB2 SER A 47 -6.510 6.517 -8.881 1.00 0.00 H new ATOM 0 HB3 SER A 47 -7.163 4.983 -8.340 1.00 0.00 H new ATOM 0 HG SER A 47 -8.516 6.003 -9.925 1.00 0.00 H new ATOM 676 N PRO A 48 -9.463 5.496 -6.305 1.00 0.00 N ATOM 677 CA PRO A 48 -10.852 5.408 -5.842 1.00 0.00 C ATOM 678 C PRO A 48 -10.988 5.725 -4.357 1.00 0.00 C ATOM 679 O PRO A 48 -11.886 6.463 -3.949 1.00 0.00 O ATOM 680 CB PRO A 48 -11.225 3.949 -6.114 1.00 0.00 C ATOM 681 CG PRO A 48 -9.927 3.217 -6.095 1.00 0.00 C ATOM 682 CD PRO A 48 -8.902 4.175 -6.636 1.00 0.00 C ATOM 0 HA PRO A 48 -11.497 6.128 -6.347 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -11.907 3.566 -5.354 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.726 3.841 -7.076 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -9.671 2.903 -5.083 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -9.979 2.315 -6.705 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -7.927 4.025 -6.172 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -8.766 4.054 -7.711 1.00 0.00 H new ATOM 690 N PHE A 49 -10.092 5.164 -3.552 1.00 0.00 N ATOM 691 CA PHE A 49 -10.114 5.386 -2.110 1.00 0.00 C ATOM 692 C PHE A 49 -10.220 6.875 -1.792 1.00 0.00 C ATOM 693 O PHE A 49 -10.612 7.258 -0.691 1.00 0.00 O ATOM 694 CB PHE A 49 -8.856 4.802 -1.464 1.00 0.00 C ATOM 695 CG PHE A 49 -9.008 3.369 -1.043 1.00 0.00 C ATOM 696 CD1 PHE A 49 -10.031 2.989 -0.189 1.00 0.00 C ATOM 697 CD2 PHE A 49 -8.128 2.401 -1.501 1.00 0.00 C ATOM 698 CE1 PHE A 49 -10.174 1.671 0.202 1.00 0.00 C ATOM 699 CE2 PHE A 49 -8.267 1.082 -1.115 1.00 0.00 C ATOM 700 CZ PHE A 49 -9.291 0.715 -0.262 1.00 0.00 C ATOM 0 H PHE A 49 -9.342 4.552 -3.873 1.00 0.00 H new ATOM 0 HA PHE A 49 -10.990 4.882 -1.702 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -8.027 4.880 -2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.593 5.402 -0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -10.725 3.732 0.176 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -7.325 2.681 -2.167 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -10.975 1.389 0.869 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -7.575 0.337 -1.480 1.00 0.00 H new ATOM 0 HZ PHE A 49 -9.400 -0.316 0.041 1.00 0.00 H new ATOM 710 N GLY A 50 -9.866 7.709 -2.765 1.00 0.00 N ATOM 711 CA GLY A 50 -9.927 9.145 -2.569 1.00 0.00 C ATOM 712 C GLY A 50 -8.911 9.889 -3.411 1.00 0.00 C ATOM 713 O GLY A 50 -8.156 9.278 -4.167 1.00 0.00 O ATOM 0 H GLY A 50 -9.538 7.416 -3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.928 9.500 -2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.758 9.372 -1.516 1.00 0.00 H new ATOM 717 N GLN A 51 -8.892 11.212 -3.283 1.00 0.00 N ATOM 718 CA GLN A 51 -7.961 12.040 -4.041 1.00 0.00 C ATOM 719 C GLN A 51 -6.591 12.071 -3.373 1.00 0.00 C ATOM 720 O GLN A 51 -6.486 12.258 -2.160 1.00 0.00 O ATOM 721 CB GLN A 51 -8.507 13.462 -4.179 1.00 0.00 C ATOM 722 CG GLN A 51 -7.812 14.279 -5.257 1.00 0.00 C ATOM 723 CD GLN A 51 -8.687 14.505 -6.474 1.00 0.00 C ATOM 724 OE1 GLN A 51 -8.432 13.960 -7.547 1.00 0.00 O ATOM 725 NE2 GLN A 51 -9.728 15.315 -6.312 1.00 0.00 N ATOM 0 H GLN A 51 -9.511 11.733 -2.662 1.00 0.00 H new ATOM 0 HA GLN A 51 -7.850 11.603 -5.033 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -9.573 13.413 -4.402 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -8.405 13.976 -3.223 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.516 15.243 -4.843 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -6.898 13.769 -5.561 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -9.902 15.746 -5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.353 15.506 -7.095 1.00 0.00 H new ATOM 734 N ILE A 52 -5.544 11.887 -4.170 1.00 0.00 N ATOM 735 CA ILE A 52 -4.181 11.895 -3.655 1.00 0.00 C ATOM 736 C ILE A 52 -3.479 13.209 -3.980 1.00 0.00 C ATOM 737 O ILE A 52 -3.777 13.853 -4.984 1.00 0.00 O ATOM 738 CB ILE A 52 -3.356 10.729 -4.230 1.00 0.00 C ATOM 739 CG1 ILE A 52 -4.074 9.400 -3.992 1.00 0.00 C ATOM 740 CG2 ILE A 52 -1.968 10.706 -3.608 1.00 0.00 C ATOM 741 CD1 ILE A 52 -3.688 8.319 -4.976 1.00 0.00 C ATOM 0 H ILE A 52 -5.614 11.730 -5.175 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.251 11.781 -2.573 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.250 10.874 -5.305 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.856 9.055 -2.981 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.150 9.563 -4.048 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.396 9.876 -4.024 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.457 11.644 -3.825 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.055 10.581 -2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.236 7.405 -4.746 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.932 8.644 -5.988 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.617 8.127 -4.905 1.00 0.00 H new ATOM 753 N MET A 53 -2.541 13.600 -3.122 1.00 0.00 N ATOM 754 CA MET A 53 -1.794 14.836 -3.320 1.00 0.00 C ATOM 755 C MET A 53 -0.385 14.545 -3.827 1.00 0.00 C ATOM 756 O MET A 53 0.138 15.263 -4.678 1.00 0.00 O ATOM 757 CB MET A 53 -1.723 15.629 -2.012 1.00 0.00 C ATOM 758 CG MET A 53 -3.047 16.262 -1.614 1.00 0.00 C ATOM 759 SD MET A 53 -3.643 17.451 -2.832 1.00 0.00 S ATOM 760 CE MET A 53 -5.016 16.547 -3.543 1.00 0.00 C ATOM 0 H MET A 53 -2.281 13.079 -2.284 1.00 0.00 H new ATOM 0 HA MET A 53 -2.316 15.430 -4.070 1.00 0.00 H new ATOM 0 HB2 MET A 53 -1.391 14.967 -1.212 1.00 0.00 H new ATOM 0 HB3 MET A 53 -0.970 16.411 -2.111 1.00 0.00 H new ATOM 0 HG2 MET A 53 -3.794 15.479 -1.481 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.932 16.760 -0.651 1.00 0.00 H new ATOM 0 HE1 MET A 53 -4.966 16.606 -4.630 1.00 0.00 H new ATOM 0 HE2 MET A 53 -4.964 15.503 -3.233 1.00 0.00 H new ATOM 0 HE3 MET A 53 -5.955 16.981 -3.199 1.00 0.00 H new ATOM 770 N GLU A 54 0.223 13.487 -3.297 1.00 0.00 N ATOM 771 CA GLU A 54 1.572 13.104 -3.697 1.00 0.00 C ATOM 772 C GLU A 54 1.772 11.597 -3.557 1.00 0.00 C ATOM 773 O GLU A 54 1.176 10.959 -2.689 1.00 0.00 O ATOM 774 CB GLU A 54 2.610 13.848 -2.854 1.00 0.00 C ATOM 775 CG GLU A 54 3.946 14.026 -3.552 1.00 0.00 C ATOM 776 CD GLU A 54 4.160 15.443 -4.050 1.00 0.00 C ATOM 777 OE1 GLU A 54 3.712 15.751 -5.175 1.00 0.00 O ATOM 778 OE2 GLU A 54 4.773 16.244 -3.313 1.00 0.00 O ATOM 0 H GLU A 54 -0.197 12.882 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 54 1.704 13.376 -4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 54 2.215 14.829 -2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 54 2.766 13.304 -1.922 1.00 0.00 H new ATOM 0 HG2 GLU A 54 4.749 13.761 -2.864 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.007 13.336 -4.394 1.00 0.00 H new ATOM 785 N ILE A 55 2.614 11.036 -4.418 1.00 0.00 N ATOM 786 CA ILE A 55 2.894 9.606 -4.390 1.00 0.00 C ATOM 787 C ILE A 55 4.385 9.334 -4.557 1.00 0.00 C ATOM 788 O ILE A 55 5.004 9.782 -5.522 1.00 0.00 O ATOM 789 CB ILE A 55 2.121 8.860 -5.495 1.00 0.00 C ATOM 790 CG1 ILE A 55 0.614 9.052 -5.311 1.00 0.00 C ATOM 791 CG2 ILE A 55 2.477 7.380 -5.483 1.00 0.00 C ATOM 792 CD1 ILE A 55 -0.221 8.169 -6.211 1.00 0.00 C ATOM 0 H ILE A 55 3.114 11.550 -5.143 1.00 0.00 H new ATOM 0 HA ILE A 55 2.567 9.239 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 55 2.406 9.275 -6.462 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.354 8.848 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.362 10.095 -5.504 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.923 6.866 -6.269 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.547 7.262 -5.656 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.216 6.951 -4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.279 8.358 -6.027 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.011 8.389 -7.253 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.002 7.123 -6.003 1.00 0.00 H new ATOM 804 N ARG A 56 4.956 8.595 -3.610 1.00 0.00 N ATOM 805 CA ARG A 56 6.374 8.263 -3.653 1.00 0.00 C ATOM 806 C ARG A 56 6.584 6.757 -3.518 1.00 0.00 C ATOM 807 O ARG A 56 6.385 6.185 -2.446 1.00 0.00 O ATOM 808 CB ARG A 56 7.125 8.994 -2.538 1.00 0.00 C ATOM 809 CG ARG A 56 8.355 9.743 -3.024 1.00 0.00 C ATOM 810 CD ARG A 56 9.263 8.847 -3.852 1.00 0.00 C ATOM 811 NE ARG A 56 9.133 9.109 -5.282 1.00 0.00 N ATOM 812 CZ ARG A 56 9.793 8.432 -6.216 1.00 0.00 C ATOM 813 NH1 ARG A 56 10.620 7.456 -5.871 1.00 0.00 N ATOM 814 NH2 ARG A 56 9.622 8.730 -7.498 1.00 0.00 N ATOM 0 H ARG A 56 4.458 8.216 -2.805 1.00 0.00 H new ATOM 0 HA ARG A 56 6.767 8.583 -4.618 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.447 9.699 -2.056 1.00 0.00 H new ATOM 0 HB3 ARG A 56 7.426 8.271 -1.779 1.00 0.00 H new ATOM 0 HG2 ARG A 56 8.047 10.602 -3.621 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.907 10.131 -2.168 1.00 0.00 H new ATOM 0 HD2 ARG A 56 10.299 9.000 -3.548 1.00 0.00 H new ATOM 0 HD3 ARG A 56 9.023 7.803 -3.651 1.00 0.00 H new ATOM 0 HE ARG A 56 8.501 9.852 -5.581 1.00 0.00 H new ATOM 0 HH11 ARG A 56 10.751 7.223 -4.887 1.00 0.00 H new ATOM 0 HH12 ARG A 56 11.125 6.938 -6.590 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.984 9.479 -7.767 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.129 8.210 -8.214 1.00 0.00 H new ATOM 828 N VAL A 57 6.986 6.120 -4.613 1.00 0.00 N ATOM 829 CA VAL A 57 7.224 4.682 -4.617 1.00 0.00 C ATOM 830 C VAL A 57 8.706 4.369 -4.441 1.00 0.00 C ATOM 831 O VAL A 57 9.556 4.935 -5.129 1.00 0.00 O ATOM 832 CB VAL A 57 6.725 4.034 -5.923 1.00 0.00 C ATOM 833 CG1 VAL A 57 5.299 4.472 -6.224 1.00 0.00 C ATOM 834 CG2 VAL A 57 7.653 4.381 -7.077 1.00 0.00 C ATOM 0 H VAL A 57 7.154 6.578 -5.509 1.00 0.00 H new ATOM 0 HA VAL A 57 6.666 4.267 -3.778 1.00 0.00 H new ATOM 0 HB VAL A 57 6.729 2.951 -5.797 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.963 4.005 -7.150 1.00 0.00 H new ATOM 0 HG12 VAL A 57 4.645 4.169 -5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 57 5.267 5.556 -6.332 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.286 3.915 -7.992 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.683 5.463 -7.207 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.656 4.014 -6.860 1.00 0.00 H new ATOM 844 N PHE A 58 9.008 3.462 -3.518 1.00 0.00 N ATOM 845 CA PHE A 58 10.387 3.074 -3.251 1.00 0.00 C ATOM 846 C PHE A 58 10.599 1.589 -3.535 1.00 0.00 C ATOM 847 O PHE A 58 10.553 0.748 -2.638 1.00 0.00 O ATOM 848 CB PHE A 58 10.756 3.384 -1.799 1.00 0.00 C ATOM 849 CG PHE A 58 11.064 4.834 -1.555 1.00 0.00 C ATOM 850 CD1 PHE A 58 10.080 5.799 -1.697 1.00 0.00 C ATOM 851 CD2 PHE A 58 12.338 5.232 -1.184 1.00 0.00 C ATOM 852 CE1 PHE A 58 10.361 7.133 -1.475 1.00 0.00 C ATOM 853 CE2 PHE A 58 12.626 6.566 -0.960 1.00 0.00 C ATOM 854 CZ PHE A 58 11.635 7.518 -1.104 1.00 0.00 C ATOM 0 H PHE A 58 8.316 2.982 -2.943 1.00 0.00 H new ATOM 0 HA PHE A 58 11.034 3.649 -3.913 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.933 3.082 -1.151 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.621 2.784 -1.516 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.081 5.505 -1.985 1.00 0.00 H new ATOM 0 HD2 PHE A 58 13.116 4.492 -1.068 1.00 0.00 H new ATOM 0 HE1 PHE A 58 9.585 7.875 -1.591 1.00 0.00 H new ATOM 0 HE2 PHE A 58 13.624 6.863 -0.673 1.00 0.00 H new ATOM 0 HZ PHE A 58 11.856 8.560 -0.927 1.00 0.00 H new ATOM 864 N PRO A 59 10.836 1.260 -4.813 1.00 0.00 N ATOM 865 CA PRO A 59 11.059 -0.122 -5.246 1.00 0.00 C ATOM 866 C PRO A 59 12.392 -0.677 -4.754 1.00 0.00 C ATOM 867 O PRO A 59 12.721 -1.836 -4.999 1.00 0.00 O ATOM 868 CB PRO A 59 11.053 -0.021 -6.773 1.00 0.00 C ATOM 869 CG PRO A 59 11.456 1.383 -7.062 1.00 0.00 C ATOM 870 CD PRO A 59 10.905 2.212 -5.935 1.00 0.00 C ATOM 0 HA PRO A 59 10.305 -0.800 -4.847 1.00 0.00 H new ATOM 0 HB2 PRO A 59 11.748 -0.732 -7.219 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.066 -0.241 -7.180 1.00 0.00 H new ATOM 0 HG2 PRO A 59 12.541 1.474 -7.119 1.00 0.00 H new ATOM 0 HG3 PRO A 59 11.057 1.714 -8.021 1.00 0.00 H new ATOM 0 HD2 PRO A 59 11.552 3.058 -5.705 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.923 2.619 -6.178 1.00 0.00 H new ATOM 878 N GLU A 60 13.155 0.161 -4.058 1.00 0.00 N ATOM 879 CA GLU A 60 14.453 -0.247 -3.532 1.00 0.00 C ATOM 880 C GLU A 60 14.342 -0.652 -2.065 1.00 0.00 C ATOM 881 O GLU A 60 15.099 -1.496 -1.584 1.00 0.00 O ATOM 882 CB GLU A 60 15.468 0.888 -3.683 1.00 0.00 C ATOM 883 CG GLU A 60 14.849 2.274 -3.607 1.00 0.00 C ATOM 884 CD GLU A 60 15.840 3.331 -3.160 1.00 0.00 C ATOM 885 OE1 GLU A 60 16.720 3.699 -3.967 1.00 0.00 O ATOM 886 OE2 GLU A 60 15.735 3.791 -2.004 1.00 0.00 O ATOM 0 H GLU A 60 12.897 1.125 -3.846 1.00 0.00 H new ATOM 0 HA GLU A 60 14.794 -1.109 -4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 60 16.224 0.794 -2.903 1.00 0.00 H new ATOM 0 HB3 GLU A 60 15.981 0.780 -4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 60 14.451 2.544 -4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 60 14.007 2.255 -2.915 1.00 0.00 H new ATOM 893 N LYS A 61 13.394 -0.045 -1.360 1.00 0.00 N ATOM 894 CA LYS A 61 13.182 -0.341 0.053 1.00 0.00 C ATOM 895 C LYS A 61 11.979 -1.261 0.241 1.00 0.00 C ATOM 896 O LYS A 61 11.944 -2.071 1.165 1.00 0.00 O ATOM 897 CB LYS A 61 12.976 0.953 0.842 1.00 0.00 C ATOM 898 CG LYS A 61 14.078 1.978 0.627 1.00 0.00 C ATOM 899 CD LYS A 61 15.356 1.581 1.347 1.00 0.00 C ATOM 900 CE LYS A 61 15.179 1.618 2.857 1.00 0.00 C ATOM 901 NZ LYS A 61 15.263 0.259 3.458 1.00 0.00 N ATOM 0 H LYS A 61 12.759 0.655 -1.744 1.00 0.00 H new ATOM 0 HA LYS A 61 14.070 -0.850 0.429 1.00 0.00 H new ATOM 0 HB2 LYS A 61 12.021 1.394 0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 61 12.914 0.715 1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 61 14.277 2.081 -0.440 1.00 0.00 H new ATOM 0 HG3 LYS A 61 13.745 2.952 0.985 1.00 0.00 H new ATOM 0 HD2 LYS A 61 15.652 0.578 1.039 1.00 0.00 H new ATOM 0 HD3 LYS A 61 16.162 2.255 1.057 1.00 0.00 H new ATOM 0 HE2 LYS A 61 15.944 2.258 3.297 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.214 2.063 3.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 15.137 0.327 4.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 14.517 -0.345 3.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 16.193 -0.156 3.249 1.00 0.00 H new ATOM 915 N GLY A 62 10.996 -1.129 -0.644 1.00 0.00 N ATOM 916 CA GLY A 62 9.805 -1.955 -0.558 1.00 0.00 C ATOM 917 C GLY A 62 8.660 -1.250 0.141 1.00 0.00 C ATOM 918 O GLY A 62 7.898 -1.873 0.881 1.00 0.00 O ATOM 0 H GLY A 62 11.003 -0.465 -1.419 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.492 -2.242 -1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.042 -2.875 -0.023 1.00 0.00 H new ATOM 922 N TYR A 63 8.538 0.052 -0.091 1.00 0.00 N ATOM 923 CA TYR A 63 7.480 0.843 0.526 1.00 0.00 C ATOM 924 C TYR A 63 7.124 2.046 -0.342 1.00 0.00 C ATOM 925 O TYR A 63 7.825 2.362 -1.304 1.00 0.00 O ATOM 926 CB TYR A 63 7.909 1.311 1.917 1.00 0.00 C ATOM 927 CG TYR A 63 8.997 2.360 1.894 1.00 0.00 C ATOM 928 CD1 TYR A 63 8.734 3.652 1.452 1.00 0.00 C ATOM 929 CD2 TYR A 63 10.287 2.061 2.312 1.00 0.00 C ATOM 930 CE1 TYR A 63 9.724 4.614 1.428 1.00 0.00 C ATOM 931 CE2 TYR A 63 11.284 3.018 2.294 1.00 0.00 C ATOM 932 CZ TYR A 63 10.999 4.292 1.851 1.00 0.00 C ATOM 933 OH TYR A 63 11.989 5.246 1.829 1.00 0.00 O ATOM 0 H TYR A 63 9.159 0.582 -0.702 1.00 0.00 H new ATOM 0 HA TYR A 63 6.596 0.212 0.620 1.00 0.00 H new ATOM 0 HB2 TYR A 63 7.041 1.712 2.440 1.00 0.00 H new ATOM 0 HB3 TYR A 63 8.257 0.451 2.489 1.00 0.00 H new ATOM 0 HD1 TYR A 63 7.738 3.907 1.122 1.00 0.00 H new ATOM 0 HD2 TYR A 63 10.515 1.063 2.657 1.00 0.00 H new ATOM 0 HE1 TYR A 63 9.503 5.612 1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 63 12.281 2.769 2.625 1.00 0.00 H new ATOM 0 HH TYR A 63 12.154 5.525 0.904 1.00 0.00 H new ATOM 943 N SER A 64 6.029 2.716 0.006 1.00 0.00 N ATOM 944 CA SER A 64 5.578 3.883 -0.740 1.00 0.00 C ATOM 945 C SER A 64 4.885 4.883 0.181 1.00 0.00 C ATOM 946 O SER A 64 4.479 4.543 1.293 1.00 0.00 O ATOM 947 CB SER A 64 4.625 3.461 -1.861 1.00 0.00 C ATOM 948 OG SER A 64 4.247 4.572 -2.655 1.00 0.00 O ATOM 0 H SER A 64 5.439 2.469 0.800 1.00 0.00 H new ATOM 0 HA SER A 64 6.453 4.364 -1.177 1.00 0.00 H new ATOM 0 HB2 SER A 64 5.106 2.709 -2.487 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.737 2.998 -1.432 1.00 0.00 H new ATOM 0 HG SER A 64 4.945 5.258 -2.611 1.00 0.00 H new ATOM 954 N PHE A 65 4.753 6.119 -0.290 1.00 0.00 N ATOM 955 CA PHE A 65 4.112 7.170 0.492 1.00 0.00 C ATOM 956 C PHE A 65 2.951 7.789 -0.281 1.00 0.00 C ATOM 957 O PHE A 65 3.122 8.268 -1.402 1.00 0.00 O ATOM 958 CB PHE A 65 5.127 8.252 0.863 1.00 0.00 C ATOM 959 CG PHE A 65 5.994 7.885 2.034 1.00 0.00 C ATOM 960 CD1 PHE A 65 5.436 7.672 3.285 1.00 0.00 C ATOM 961 CD2 PHE A 65 7.364 7.753 1.885 1.00 0.00 C ATOM 962 CE1 PHE A 65 6.229 7.334 4.365 1.00 0.00 C ATOM 963 CE2 PHE A 65 8.163 7.415 2.961 1.00 0.00 C ATOM 964 CZ PHE A 65 7.595 7.206 4.202 1.00 0.00 C ATOM 0 H PHE A 65 5.081 6.417 -1.209 1.00 0.00 H new ATOM 0 HA PHE A 65 3.721 6.722 1.405 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.762 8.454 0.000 1.00 0.00 H new ATOM 0 HB3 PHE A 65 4.595 9.176 1.091 1.00 0.00 H new ATOM 0 HD1 PHE A 65 4.369 7.771 3.417 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.814 7.916 0.917 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.782 7.170 5.334 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.230 7.314 2.831 1.00 0.00 H new ATOM 0 HZ PHE A 65 8.218 6.943 5.044 1.00 0.00 H new ATOM 974 N VAL A 66 1.769 7.777 0.327 1.00 0.00 N ATOM 975 CA VAL A 66 0.579 8.338 -0.302 1.00 0.00 C ATOM 976 C VAL A 66 -0.137 9.302 0.637 1.00 0.00 C ATOM 977 O VAL A 66 -0.794 8.882 1.590 1.00 0.00 O ATOM 978 CB VAL A 66 -0.403 7.231 -0.732 1.00 0.00 C ATOM 979 CG1 VAL A 66 -1.644 7.837 -1.369 1.00 0.00 C ATOM 980 CG2 VAL A 66 0.276 6.259 -1.684 1.00 0.00 C ATOM 0 H VAL A 66 1.610 7.385 1.255 1.00 0.00 H new ATOM 0 HA VAL A 66 0.914 8.880 -1.186 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.713 6.678 0.155 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.326 7.041 -1.666 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.140 8.490 -0.651 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.357 8.415 -2.247 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.431 5.484 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.616 6.795 -2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.131 5.801 -1.187 1.00 0.00 H new ATOM 990 N ARG A 67 -0.007 10.595 0.361 1.00 0.00 N ATOM 991 CA ARG A 67 -0.641 11.619 1.181 1.00 0.00 C ATOM 992 C ARG A 67 -1.982 12.039 0.588 1.00 0.00 C ATOM 993 O ARG A 67 -2.070 12.384 -0.590 1.00 0.00 O ATOM 994 CB ARG A 67 0.275 12.837 1.313 1.00 0.00 C ATOM 995 CG ARG A 67 1.367 12.669 2.355 1.00 0.00 C ATOM 996 CD ARG A 67 2.426 11.678 1.898 1.00 0.00 C ATOM 997 NE ARG A 67 3.213 12.194 0.780 1.00 0.00 N ATOM 998 CZ ARG A 67 4.153 13.124 0.910 1.00 0.00 C ATOM 999 NH1 ARG A 67 4.422 13.636 2.104 1.00 0.00 N ATOM 1000 NH2 ARG A 67 4.825 13.542 -0.154 1.00 0.00 N ATOM 0 H ARG A 67 0.532 10.958 -0.425 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.818 11.197 2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.736 13.041 0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.328 13.708 1.569 1.00 0.00 H new ATOM 0 HG2 ARG A 67 1.832 13.634 2.555 1.00 0.00 H new ATOM 0 HG3 ARG A 67 0.928 12.327 3.292 1.00 0.00 H new ATOM 0 HD2 ARG A 67 3.089 11.446 2.731 1.00 0.00 H new ATOM 0 HD3 ARG A 67 1.946 10.745 1.603 1.00 0.00 H new ATOM 0 HE ARG A 67 3.031 11.820 -0.151 1.00 0.00 H new ATOM 0 HH11 ARG A 67 3.907 13.316 2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 67 5.144 14.350 2.202 1.00 0.00 H new ATOM 0 HH21 ARG A 67 4.620 13.150 -1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 67 5.546 14.256 -0.053 1.00 0.00 H new ATOM 1014 N PHE A 68 -3.024 12.006 1.411 1.00 0.00 N ATOM 1015 CA PHE A 68 -4.362 12.381 0.967 1.00 0.00 C ATOM 1016 C PHE A 68 -4.681 13.822 1.358 1.00 0.00 C ATOM 1017 O PHE A 68 -4.007 14.410 2.204 1.00 0.00 O ATOM 1018 CB PHE A 68 -5.405 11.436 1.565 1.00 0.00 C ATOM 1019 CG PHE A 68 -5.423 10.078 0.922 1.00 0.00 C ATOM 1020 CD1 PHE A 68 -4.451 9.140 1.227 1.00 0.00 C ATOM 1021 CD2 PHE A 68 -6.412 9.741 0.013 1.00 0.00 C ATOM 1022 CE1 PHE A 68 -4.464 7.891 0.636 1.00 0.00 C ATOM 1023 CE2 PHE A 68 -6.431 8.494 -0.582 1.00 0.00 C ATOM 1024 CZ PHE A 68 -5.457 7.566 -0.269 1.00 0.00 C ATOM 0 H PHE A 68 -2.968 11.723 2.389 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.392 12.302 -0.120 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.211 11.322 2.631 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -6.392 11.888 1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.674 9.387 1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.178 10.462 -0.234 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.699 7.169 0.881 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.207 8.245 -1.291 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.471 6.589 -0.730 1.00 0.00 H new ATOM 1034 N SER A 69 -5.712 14.383 0.735 1.00 0.00 N ATOM 1035 CA SER A 69 -6.118 15.755 1.013 1.00 0.00 C ATOM 1036 C SER A 69 -6.903 15.835 2.319 1.00 0.00 C ATOM 1037 O SER A 69 -7.017 16.901 2.926 1.00 0.00 O ATOM 1038 CB SER A 69 -6.964 16.304 -0.138 1.00 0.00 C ATOM 1039 OG SER A 69 -7.223 17.686 0.033 1.00 0.00 O ATOM 0 H SER A 69 -6.281 13.908 0.034 1.00 0.00 H new ATOM 0 HA SER A 69 -5.217 16.361 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.446 16.142 -1.083 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.906 15.758 -0.193 1.00 0.00 H new ATOM 0 HG SER A 69 -7.764 18.013 -0.716 1.00 0.00 H new ATOM 1045 N THR A 70 -7.445 14.698 2.747 1.00 0.00 N ATOM 1046 CA THR A 70 -8.221 14.638 3.979 1.00 0.00 C ATOM 1047 C THR A 70 -7.749 13.496 4.871 1.00 0.00 C ATOM 1048 O THR A 70 -6.981 12.635 4.440 1.00 0.00 O ATOM 1049 CB THR A 70 -9.723 14.461 3.689 1.00 0.00 C ATOM 1050 OG1 THR A 70 -9.932 13.293 2.887 1.00 0.00 O ATOM 1051 CG2 THR A 70 -10.284 15.680 2.974 1.00 0.00 C ATOM 0 H THR A 70 -7.360 13.807 2.258 1.00 0.00 H new ATOM 0 HA THR A 70 -8.068 15.586 4.495 1.00 0.00 H new ATOM 0 HB THR A 70 -10.243 14.347 4.640 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.891 13.095 2.841 1.00 0.00 H new ATOM 0 HG21 THR A 70 -11.346 15.531 2.780 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.149 16.563 3.599 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.759 15.821 2.029 1.00 0.00 H new ATOM 1059 N HIS A 71 -8.213 13.493 6.116 1.00 0.00 N ATOM 1060 CA HIS A 71 -7.838 12.454 7.069 1.00 0.00 C ATOM 1061 C HIS A 71 -8.742 11.233 6.925 1.00 0.00 C ATOM 1062 O HIS A 71 -8.290 10.097 7.060 1.00 0.00 O ATOM 1063 CB HIS A 71 -7.912 12.992 8.498 1.00 0.00 C ATOM 1064 CG HIS A 71 -7.326 12.065 9.519 1.00 0.00 C ATOM 1065 ND1 HIS A 71 -5.976 12.004 9.792 1.00 0.00 N ATOM 1066 CD2 HIS A 71 -7.915 11.161 10.335 1.00 0.00 C ATOM 1067 CE1 HIS A 71 -5.760 11.101 10.732 1.00 0.00 C ATOM 1068 NE2 HIS A 71 -6.921 10.575 11.078 1.00 0.00 N ATOM 0 H HIS A 71 -8.849 14.198 6.489 1.00 0.00 H new ATOM 0 HA HIS A 71 -6.813 12.152 6.855 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.390 13.948 8.545 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -8.954 13.186 8.751 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -5.257 12.568 9.339 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -8.971 10.941 10.391 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -4.798 10.838 11.147 1.00 0.00 H new ATOM 1076 N GLU A 72 -10.019 11.477 6.651 1.00 0.00 N ATOM 1077 CA GLU A 72 -10.986 10.397 6.491 1.00 0.00 C ATOM 1078 C GLU A 72 -10.617 9.509 5.306 1.00 0.00 C ATOM 1079 O GLU A 72 -10.456 8.298 5.450 1.00 0.00 O ATOM 1080 CB GLU A 72 -12.392 10.966 6.298 1.00 0.00 C ATOM 1081 CG GLU A 72 -13.017 11.493 7.579 1.00 0.00 C ATOM 1082 CD GLU A 72 -12.730 12.965 7.805 1.00 0.00 C ATOM 1083 OE1 GLU A 72 -11.696 13.280 8.430 1.00 0.00 O ATOM 1084 OE2 GLU A 72 -13.540 13.802 7.354 1.00 0.00 O ATOM 0 H GLU A 72 -10.408 12.413 6.535 1.00 0.00 H new ATOM 0 HA GLU A 72 -10.969 9.791 7.397 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -12.351 11.772 5.565 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.035 10.190 5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.095 11.338 7.543 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -12.640 10.919 8.426 1.00 0.00 H new ATOM 1091 N SER A 73 -10.486 10.122 4.133 1.00 0.00 N ATOM 1092 CA SER A 73 -10.141 9.387 2.921 1.00 0.00 C ATOM 1093 C SER A 73 -9.028 8.379 3.196 1.00 0.00 C ATOM 1094 O SER A 73 -9.178 7.187 2.932 1.00 0.00 O ATOM 1095 CB SER A 73 -9.708 10.356 1.820 1.00 0.00 C ATOM 1096 OG SER A 73 -10.830 10.954 1.196 1.00 0.00 O ATOM 0 H SER A 73 -10.613 11.125 3.996 1.00 0.00 H new ATOM 0 HA SER A 73 -11.025 8.843 2.589 1.00 0.00 H new ATOM 0 HB2 SER A 73 -9.068 11.130 2.244 1.00 0.00 H new ATOM 0 HB3 SER A 73 -9.115 9.824 1.076 1.00 0.00 H new ATOM 0 HG SER A 73 -10.526 11.570 0.497 1.00 0.00 H new ATOM 1102 N ALA A 74 -7.913 8.869 3.726 1.00 0.00 N ATOM 1103 CA ALA A 74 -6.775 8.012 4.038 1.00 0.00 C ATOM 1104 C ALA A 74 -7.186 6.867 4.958 1.00 0.00 C ATOM 1105 O ALA A 74 -6.883 5.705 4.691 1.00 0.00 O ATOM 1106 CB ALA A 74 -5.659 8.828 4.673 1.00 0.00 C ATOM 0 H ALA A 74 -7.773 9.854 3.949 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.410 7.581 3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -4.816 8.176 4.901 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -5.339 9.607 3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.022 9.287 5.593 1.00 0.00 H new ATOM 1112 N ALA A 75 -7.878 7.205 6.042 1.00 0.00 N ATOM 1113 CA ALA A 75 -8.330 6.205 7.001 1.00 0.00 C ATOM 1114 C ALA A 75 -9.139 5.111 6.312 1.00 0.00 C ATOM 1115 O ALA A 75 -9.076 3.943 6.697 1.00 0.00 O ATOM 1116 CB ALA A 75 -9.154 6.862 8.099 1.00 0.00 C ATOM 0 H ALA A 75 -8.137 8.163 6.277 1.00 0.00 H new ATOM 0 HA ALA A 75 -7.451 5.743 7.449 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -9.485 6.104 8.808 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.545 7.602 8.617 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.023 7.351 7.659 1.00 0.00 H new ATOM 1122 N HIS A 76 -9.900 5.497 5.294 1.00 0.00 N ATOM 1123 CA HIS A 76 -10.723 4.549 4.551 1.00 0.00 C ATOM 1124 C HIS A 76 -9.853 3.597 3.736 1.00 0.00 C ATOM 1125 O HIS A 76 -10.136 2.403 3.648 1.00 0.00 O ATOM 1126 CB HIS A 76 -11.690 5.292 3.628 1.00 0.00 C ATOM 1127 CG HIS A 76 -13.005 5.610 4.270 1.00 0.00 C ATOM 1128 ND1 HIS A 76 -13.949 4.649 4.566 1.00 0.00 N ATOM 1129 CD2 HIS A 76 -13.531 6.790 4.673 1.00 0.00 C ATOM 1130 CE1 HIS A 76 -15.000 5.226 5.122 1.00 0.00 C ATOM 1131 NE2 HIS A 76 -14.771 6.525 5.198 1.00 0.00 N ATOM 0 H HIS A 76 -9.964 6.460 4.964 1.00 0.00 H new ATOM 0 HA HIS A 76 -11.297 3.964 5.269 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -11.223 6.219 3.297 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -11.866 4.688 2.738 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -13.062 7.760 4.596 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -15.894 4.721 5.457 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -15.412 7.218 5.584 1.00 0.00 H new ATOM 1139 N ALA A 77 -8.793 4.134 3.141 1.00 0.00 N ATOM 1140 CA ALA A 77 -7.881 3.334 2.334 1.00 0.00 C ATOM 1141 C ALA A 77 -6.956 2.501 3.215 1.00 0.00 C ATOM 1142 O ALA A 77 -6.530 1.412 2.829 1.00 0.00 O ATOM 1143 CB ALA A 77 -7.069 4.228 1.410 1.00 0.00 C ATOM 0 H ALA A 77 -8.545 5.121 3.203 1.00 0.00 H new ATOM 0 HA ALA A 77 -8.476 2.651 1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -6.392 3.616 0.814 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.742 4.775 0.749 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.490 4.935 2.004 1.00 0.00 H new ATOM 1149 N ILE A 78 -6.649 3.020 4.398 1.00 0.00 N ATOM 1150 CA ILE A 78 -5.774 2.323 5.334 1.00 0.00 C ATOM 1151 C ILE A 78 -6.475 1.118 5.949 1.00 0.00 C ATOM 1152 O ILE A 78 -5.986 -0.009 5.867 1.00 0.00 O ATOM 1153 CB ILE A 78 -5.299 3.258 6.462 1.00 0.00 C ATOM 1154 CG1 ILE A 78 -4.330 4.307 5.912 1.00 0.00 C ATOM 1155 CG2 ILE A 78 -4.641 2.453 7.574 1.00 0.00 C ATOM 1156 CD1 ILE A 78 -3.919 5.345 6.932 1.00 0.00 C ATOM 0 H ILE A 78 -6.993 3.920 4.732 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.908 1.984 4.765 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.166 3.774 6.876 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.438 3.805 5.537 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -4.794 4.808 5.063 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.310 3.127 8.364 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.359 1.741 7.981 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -3.782 1.914 7.174 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -3.232 6.055 6.472 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.803 5.874 7.289 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.426 4.855 7.771 1.00 0.00 H new ATOM 1168 N VAL A 79 -7.628 1.361 6.565 1.00 0.00 N ATOM 1169 CA VAL A 79 -8.400 0.295 7.193 1.00 0.00 C ATOM 1170 C VAL A 79 -8.632 -0.858 6.223 1.00 0.00 C ATOM 1171 O VAL A 79 -8.586 -2.026 6.609 1.00 0.00 O ATOM 1172 CB VAL A 79 -9.761 0.810 7.697 1.00 0.00 C ATOM 1173 CG1 VAL A 79 -9.566 1.884 8.757 1.00 0.00 C ATOM 1174 CG2 VAL A 79 -10.593 1.337 6.538 1.00 0.00 C ATOM 0 H VAL A 79 -8.048 2.287 6.642 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.818 -0.060 8.043 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.299 -0.021 8.152 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -10.538 2.236 9.101 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -9.012 1.468 9.598 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -9.008 2.718 8.332 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.551 1.697 6.912 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.063 2.156 6.052 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.762 0.536 5.818 1.00 0.00 H new ATOM 1184 N SER A 80 -8.883 -0.523 4.961 1.00 0.00 N ATOM 1185 CA SER A 80 -9.126 -1.531 3.936 1.00 0.00 C ATOM 1186 C SER A 80 -7.817 -2.160 3.473 1.00 0.00 C ATOM 1187 O SER A 80 -7.553 -3.334 3.732 1.00 0.00 O ATOM 1188 CB SER A 80 -9.857 -0.908 2.744 1.00 0.00 C ATOM 1189 OG SER A 80 -11.252 -0.831 2.985 1.00 0.00 O ATOM 0 H SER A 80 -8.923 0.439 4.624 1.00 0.00 H new ATOM 0 HA SER A 80 -9.751 -2.313 4.368 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.462 0.090 2.552 1.00 0.00 H new ATOM 0 HB3 SER A 80 -9.672 -1.502 1.849 1.00 0.00 H new ATOM 0 HG SER A 80 -11.696 -0.428 2.210 1.00 0.00 H new ATOM 1195 N VAL A 81 -6.999 -1.370 2.783 1.00 0.00 N ATOM 1196 CA VAL A 81 -5.716 -1.849 2.283 1.00 0.00 C ATOM 1197 C VAL A 81 -4.930 -2.561 3.378 1.00 0.00 C ATOM 1198 O VAL A 81 -4.110 -3.434 3.099 1.00 0.00 O ATOM 1199 CB VAL A 81 -4.865 -0.694 1.724 1.00 0.00 C ATOM 1200 CG1 VAL A 81 -3.538 -1.215 1.192 1.00 0.00 C ATOM 1201 CG2 VAL A 81 -5.627 0.053 0.639 1.00 0.00 C ATOM 0 H VAL A 81 -7.202 -0.396 2.558 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.933 -2.553 1.479 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.655 0.003 2.535 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.951 -0.384 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.988 -1.700 1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.723 -1.935 0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.010 0.866 0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.870 -0.633 -0.173 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.547 0.462 1.056 1.00 0.00 H new ATOM 1211 N ASN A 82 -5.187 -2.180 4.626 1.00 0.00 N ATOM 1212 CA ASN A 82 -4.502 -2.782 5.764 1.00 0.00 C ATOM 1213 C ASN A 82 -4.784 -4.279 5.839 1.00 0.00 C ATOM 1214 O ASN A 82 -5.803 -4.704 6.384 1.00 0.00 O ATOM 1215 CB ASN A 82 -4.938 -2.104 7.065 1.00 0.00 C ATOM 1216 CG ASN A 82 -4.571 -2.916 8.292 1.00 0.00 C ATOM 1217 OD1 ASN A 82 -5.572 -3.259 9.095 1.00 0.00 O flip ATOM 1218 ND2 ASN A 82 -3.402 -3.231 8.514 1.00 0.00 N flip ATOM 0 H ASN A 82 -5.864 -1.458 4.874 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.430 -2.639 5.628 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -4.474 -1.120 7.132 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -6.016 -1.947 7.046 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -2.665 -2.945 7.869 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -3.170 -3.778 9.343 1.00 0.00 H new ATOM 1225 N GLY A 83 -3.875 -5.077 5.288 1.00 0.00 N ATOM 1226 CA GLY A 83 -4.043 -6.518 5.303 1.00 0.00 C ATOM 1227 C GLY A 83 -4.483 -7.064 3.959 1.00 0.00 C ATOM 1228 O GLY A 83 -5.045 -8.157 3.878 1.00 0.00 O ATOM 0 H GLY A 83 -3.024 -4.750 4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -3.103 -6.987 5.592 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.780 -6.787 6.060 1.00 0.00 H new ATOM 1232 N THR A 84 -4.231 -6.301 2.900 1.00 0.00 N ATOM 1233 CA THR A 84 -4.608 -6.713 1.554 1.00 0.00 C ATOM 1234 C THR A 84 -3.409 -7.265 0.792 1.00 0.00 C ATOM 1235 O THR A 84 -2.259 -7.003 1.148 1.00 0.00 O ATOM 1236 CB THR A 84 -5.214 -5.543 0.757 1.00 0.00 C ATOM 1237 OG1 THR A 84 -4.243 -4.503 0.599 1.00 0.00 O ATOM 1238 CG2 THR A 84 -6.446 -4.991 1.458 1.00 0.00 C ATOM 0 H THR A 84 -3.767 -5.394 2.949 1.00 0.00 H new ATOM 0 HA THR A 84 -5.358 -7.496 1.662 1.00 0.00 H new ATOM 0 HB THR A 84 -5.510 -5.915 -0.224 1.00 0.00 H new ATOM 0 HG1 THR A 84 -4.197 -3.971 1.421 1.00 0.00 H new ATOM 0 HG21 THR A 84 -6.856 -4.166 0.876 1.00 0.00 H new ATOM 0 HG22 THR A 84 -7.195 -5.777 1.550 1.00 0.00 H new ATOM 0 HG23 THR A 84 -6.171 -4.634 2.450 1.00 0.00 H new ATOM 1246 N THR A 85 -3.682 -8.031 -0.260 1.00 0.00 N ATOM 1247 CA THR A 85 -2.626 -8.620 -1.072 1.00 0.00 C ATOM 1248 C THR A 85 -2.662 -8.082 -2.497 1.00 0.00 C ATOM 1249 O THR A 85 -3.638 -8.284 -3.222 1.00 0.00 O ATOM 1250 CB THR A 85 -2.738 -10.156 -1.113 1.00 0.00 C ATOM 1251 OG1 THR A 85 -2.953 -10.666 0.207 1.00 0.00 O ATOM 1252 CG2 THR A 85 -1.479 -10.775 -1.702 1.00 0.00 C ATOM 0 H THR A 85 -4.627 -8.258 -0.569 1.00 0.00 H new ATOM 0 HA THR A 85 -1.680 -8.344 -0.606 1.00 0.00 H new ATOM 0 HB THR A 85 -3.584 -10.420 -1.747 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.698 -11.302 0.194 1.00 0.00 H new ATOM 0 HG21 THR A 85 -1.581 -11.860 -1.721 1.00 0.00 H new ATOM 0 HG22 THR A 85 -1.333 -10.407 -2.718 1.00 0.00 H new ATOM 0 HG23 THR A 85 -0.619 -10.502 -1.090 1.00 0.00 H new ATOM 1260 N ILE A 86 -1.596 -7.396 -2.895 1.00 0.00 N ATOM 1261 CA ILE A 86 -1.507 -6.830 -4.235 1.00 0.00 C ATOM 1262 C ILE A 86 -0.409 -7.509 -5.047 1.00 0.00 C ATOM 1263 O ILE A 86 0.775 -7.375 -4.740 1.00 0.00 O ATOM 1264 CB ILE A 86 -1.234 -5.315 -4.189 1.00 0.00 C ATOM 1265 CG1 ILE A 86 -2.465 -4.568 -3.672 1.00 0.00 C ATOM 1266 CG2 ILE A 86 -0.840 -4.806 -5.568 1.00 0.00 C ATOM 1267 CD1 ILE A 86 -2.198 -3.116 -3.346 1.00 0.00 C ATOM 0 H ILE A 86 -0.781 -7.219 -2.308 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.470 -7.003 -4.715 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.406 -5.131 -3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.255 -4.624 -4.421 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.836 -5.070 -2.779 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.650 -3.734 -5.520 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.062 -5.319 -5.901 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.649 -5.000 -6.272 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.115 -2.650 -2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.430 -3.051 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.856 -2.599 -4.242 1.00 0.00 H new ATOM 1279 N GLU A 87 -0.811 -8.236 -6.083 1.00 0.00 N ATOM 1280 CA GLU A 87 0.139 -8.936 -6.940 1.00 0.00 C ATOM 1281 C GLU A 87 0.881 -10.017 -6.160 1.00 0.00 C ATOM 1282 O GLU A 87 2.053 -10.291 -6.419 1.00 0.00 O ATOM 1283 CB GLU A 87 1.140 -7.947 -7.541 1.00 0.00 C ATOM 1284 CG GLU A 87 0.487 -6.781 -8.263 1.00 0.00 C ATOM 1285 CD GLU A 87 0.141 -7.107 -9.704 1.00 0.00 C ATOM 1286 OE1 GLU A 87 0.948 -7.789 -10.369 1.00 0.00 O ATOM 1287 OE2 GLU A 87 -0.939 -6.680 -10.165 1.00 0.00 O ATOM 0 H GLU A 87 -1.788 -8.356 -6.350 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.419 -9.413 -7.746 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.777 -7.560 -6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 87 1.788 -8.478 -8.238 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.420 -6.492 -7.732 1.00 0.00 H new ATOM 0 HG3 GLU A 87 1.158 -5.922 -8.240 1.00 0.00 H new ATOM 1294 N GLY A 88 0.189 -10.628 -5.203 1.00 0.00 N ATOM 1295 CA GLY A 88 0.799 -11.672 -4.399 1.00 0.00 C ATOM 1296 C GLY A 88 1.707 -11.117 -3.320 1.00 0.00 C ATOM 1297 O GLY A 88 2.511 -11.847 -2.739 1.00 0.00 O ATOM 0 H GLY A 88 -0.782 -10.419 -4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 88 0.017 -12.274 -3.937 1.00 0.00 H new ATOM 0 HA3 GLY A 88 1.372 -12.336 -5.046 1.00 0.00 H new ATOM 1301 N HIS A 89 1.582 -9.821 -3.052 1.00 0.00 N ATOM 1302 CA HIS A 89 2.400 -9.168 -2.036 1.00 0.00 C ATOM 1303 C HIS A 89 1.525 -8.496 -0.983 1.00 0.00 C ATOM 1304 O HIS A 89 0.670 -7.672 -1.306 1.00 0.00 O ATOM 1305 CB HIS A 89 3.325 -8.135 -2.683 1.00 0.00 C ATOM 1306 CG HIS A 89 4.336 -8.734 -3.611 1.00 0.00 C ATOM 1307 ND1 HIS A 89 5.504 -9.323 -3.173 1.00 0.00 N ATOM 1308 CD2 HIS A 89 4.350 -8.833 -4.961 1.00 0.00 C ATOM 1309 CE1 HIS A 89 6.191 -9.758 -4.215 1.00 0.00 C ATOM 1310 NE2 HIS A 89 5.512 -9.473 -5.311 1.00 0.00 N ATOM 0 H HIS A 89 0.922 -9.203 -3.524 1.00 0.00 H new ATOM 0 HA HIS A 89 3.005 -9.931 -1.546 1.00 0.00 H new ATOM 0 HB2 HIS A 89 2.721 -7.413 -3.233 1.00 0.00 H new ATOM 0 HB3 HIS A 89 3.845 -7.584 -1.899 1.00 0.00 H new ATOM 0 HD2 HIS A 89 3.588 -8.475 -5.637 1.00 0.00 H new ATOM 0 HE1 HIS A 89 7.146 -10.261 -4.177 1.00 0.00 H new ATOM 0 HE2 HIS A 89 5.804 -9.693 -6.263 1.00 0.00 H new ATOM 1318 N VAL A 90 1.744 -8.855 0.278 1.00 0.00 N ATOM 1319 CA VAL A 90 0.976 -8.286 1.379 1.00 0.00 C ATOM 1320 C VAL A 90 1.351 -6.828 1.616 1.00 0.00 C ATOM 1321 O VAL A 90 2.448 -6.527 2.086 1.00 0.00 O ATOM 1322 CB VAL A 90 1.192 -9.080 2.682 1.00 0.00 C ATOM 1323 CG1 VAL A 90 2.656 -9.456 2.841 1.00 0.00 C ATOM 1324 CG2 VAL A 90 0.706 -8.277 3.879 1.00 0.00 C ATOM 0 H VAL A 90 2.447 -9.537 0.562 1.00 0.00 H new ATOM 0 HA VAL A 90 -0.075 -8.345 1.096 1.00 0.00 H new ATOM 0 HB VAL A 90 0.610 -10.000 2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.789 -10.016 3.767 1.00 0.00 H new ATOM 0 HG12 VAL A 90 2.967 -10.071 1.997 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.263 -8.551 2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.865 -8.851 4.791 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.261 -7.340 3.938 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.357 -8.063 3.766 1.00 0.00 H new ATOM 1334 N VAL A 91 0.432 -5.926 1.287 1.00 0.00 N ATOM 1335 CA VAL A 91 0.665 -4.497 1.466 1.00 0.00 C ATOM 1336 C VAL A 91 0.372 -4.068 2.900 1.00 0.00 C ATOM 1337 O VAL A 91 -0.488 -4.642 3.568 1.00 0.00 O ATOM 1338 CB VAL A 91 -0.201 -3.662 0.504 1.00 0.00 C ATOM 1339 CG1 VAL A 91 0.092 -4.037 -0.941 1.00 0.00 C ATOM 1340 CG2 VAL A 91 -1.678 -3.847 0.822 1.00 0.00 C ATOM 0 H VAL A 91 -0.481 -6.159 0.895 1.00 0.00 H new ATOM 0 HA VAL A 91 1.717 -4.317 1.244 1.00 0.00 H new ATOM 0 HB VAL A 91 0.048 -2.609 0.639 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.529 -3.437 -1.606 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.143 -3.850 -1.159 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.128 -5.093 -1.094 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.276 -3.250 0.133 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.944 -4.899 0.716 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.873 -3.525 1.845 1.00 0.00 H new ATOM 1350 N LYS A 92 1.092 -3.053 3.365 1.00 0.00 N ATOM 1351 CA LYS A 92 0.909 -2.544 4.719 1.00 0.00 C ATOM 1352 C LYS A 92 0.548 -1.062 4.698 1.00 0.00 C ATOM 1353 O LYS A 92 1.361 -0.220 4.315 1.00 0.00 O ATOM 1354 CB LYS A 92 2.182 -2.757 5.543 1.00 0.00 C ATOM 1355 CG LYS A 92 2.081 -3.907 6.531 1.00 0.00 C ATOM 1356 CD LYS A 92 3.445 -4.506 6.830 1.00 0.00 C ATOM 1357 CE LYS A 92 3.322 -5.888 7.452 1.00 0.00 C ATOM 1358 NZ LYS A 92 3.957 -5.949 8.798 1.00 0.00 N ATOM 0 H LYS A 92 1.807 -2.567 2.824 1.00 0.00 H new ATOM 0 HA LYS A 92 0.089 -3.095 5.180 1.00 0.00 H new ATOM 0 HB2 LYS A 92 3.016 -2.942 4.866 1.00 0.00 H new ATOM 0 HB3 LYS A 92 2.410 -1.840 6.087 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.627 -3.554 7.457 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.424 -4.678 6.128 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.025 -4.570 5.909 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.992 -3.849 7.506 1.00 0.00 H new ATOM 0 HE2 LYS A 92 2.269 -6.157 7.535 1.00 0.00 H new ATOM 0 HE3 LYS A 92 3.788 -6.624 6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 3.852 -6.907 9.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 4.968 -5.718 8.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.496 -5.265 9.431 1.00 0.00 H new ATOM 1372 N CYS A 93 -0.675 -0.751 5.115 1.00 0.00 N ATOM 1373 CA CYS A 93 -1.144 0.630 5.145 1.00 0.00 C ATOM 1374 C CYS A 93 -1.024 1.215 6.548 1.00 0.00 C ATOM 1375 O CYS A 93 -1.648 0.727 7.490 1.00 0.00 O ATOM 1376 CB CYS A 93 -2.595 0.709 4.668 1.00 0.00 C ATOM 1377 SG CYS A 93 -2.836 1.740 3.203 1.00 0.00 S ATOM 0 H CYS A 93 -1.359 -1.436 5.437 1.00 0.00 H new ATOM 0 HA CYS A 93 -0.516 1.215 4.473 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -2.951 -0.299 4.452 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -3.212 1.098 5.478 1.00 0.00 H new ATOM 0 HG CYS A 93 -2.310 1.154 2.169 1.00 0.00 H new ATOM 1383 N TYR A 94 -0.219 2.263 6.680 1.00 0.00 N ATOM 1384 CA TYR A 94 -0.013 2.912 7.970 1.00 0.00 C ATOM 1385 C TYR A 94 -0.111 4.428 7.838 1.00 0.00 C ATOM 1386 O TYR A 94 -0.369 4.953 6.754 1.00 0.00 O ATOM 1387 CB TYR A 94 1.349 2.525 8.548 1.00 0.00 C ATOM 1388 CG TYR A 94 1.488 1.047 8.835 1.00 0.00 C ATOM 1389 CD1 TYR A 94 0.687 0.425 9.785 1.00 0.00 C ATOM 1390 CD2 TYR A 94 2.421 0.272 8.155 1.00 0.00 C ATOM 1391 CE1 TYR A 94 0.811 -0.924 10.051 1.00 0.00 C ATOM 1392 CE2 TYR A 94 2.550 -1.079 8.414 1.00 0.00 C ATOM 1393 CZ TYR A 94 1.744 -1.672 9.364 1.00 0.00 C ATOM 1394 OH TYR A 94 1.870 -3.017 9.625 1.00 0.00 O ATOM 0 H TYR A 94 0.302 2.682 5.909 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.796 2.573 8.648 1.00 0.00 H new ATOM 0 HB2 TYR A 94 2.129 2.826 7.849 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.515 3.083 9.470 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -0.045 1.007 10.325 1.00 0.00 H new ATOM 0 HD2 TYR A 94 3.055 0.734 7.412 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.181 -1.391 10.793 1.00 0.00 H new ATOM 0 HE2 TYR A 94 3.278 -1.668 7.876 1.00 0.00 H new ATOM 0 HH TYR A 94 1.004 -3.378 9.909 1.00 0.00 H new ATOM 1404 N TRP A 95 0.097 5.126 8.949 1.00 0.00 N ATOM 1405 CA TRP A 95 0.034 6.583 8.959 1.00 0.00 C ATOM 1406 C TRP A 95 1.418 7.190 8.759 1.00 0.00 C ATOM 1407 O TRP A 95 2.116 7.500 9.724 1.00 0.00 O ATOM 1408 CB TRP A 95 -0.569 7.079 10.274 1.00 0.00 C ATOM 1409 CG TRP A 95 -2.066 7.009 10.304 1.00 0.00 C ATOM 1410 CD1 TRP A 95 -2.834 6.237 11.128 1.00 0.00 C ATOM 1411 CD2 TRP A 95 -2.975 7.739 9.473 1.00 0.00 C ATOM 1412 NE1 TRP A 95 -4.166 6.442 10.860 1.00 0.00 N ATOM 1413 CE2 TRP A 95 -4.279 7.360 9.848 1.00 0.00 C ATOM 1414 CE3 TRP A 95 -2.815 8.677 8.451 1.00 0.00 C ATOM 1415 CZ2 TRP A 95 -5.412 7.887 9.236 1.00 0.00 C ATOM 1416 CZ3 TRP A 95 -3.941 9.198 7.842 1.00 0.00 C ATOM 1417 CH2 TRP A 95 -5.226 8.803 8.236 1.00 0.00 C ATOM 0 H TRP A 95 0.311 4.707 9.854 1.00 0.00 H new ATOM 0 HA TRP A 95 -0.603 6.899 8.133 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -0.168 6.486 11.096 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -0.257 8.110 10.443 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -2.451 5.564 11.880 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -4.944 5.986 11.336 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.829 8.990 8.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -6.403 7.584 9.539 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -3.828 9.922 7.049 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.086 9.229 7.741 1.00 0.00 H new ATOM 1428 N GLY A 96 1.812 7.357 7.500 1.00 0.00 N ATOM 1429 CA GLY A 96 3.111 7.927 7.198 1.00 0.00 C ATOM 1430 C GLY A 96 4.203 7.390 8.102 1.00 0.00 C ATOM 1431 O GLY A 96 4.390 6.178 8.210 1.00 0.00 O ATOM 0 H GLY A 96 1.254 7.107 6.684 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.365 7.714 6.160 1.00 0.00 H new ATOM 0 HA3 GLY A 96 3.061 9.011 7.298 1.00 0.00 H new ATOM 1435 N LYS A 97 4.929 8.294 8.751 1.00 0.00 N ATOM 1436 CA LYS A 97 6.009 7.907 9.651 1.00 0.00 C ATOM 1437 C LYS A 97 6.541 9.114 10.415 1.00 0.00 C ATOM 1438 O LYS A 97 6.456 10.246 9.939 1.00 0.00 O ATOM 1439 CB LYS A 97 7.144 7.248 8.863 1.00 0.00 C ATOM 1440 CG LYS A 97 8.005 6.318 9.700 1.00 0.00 C ATOM 1441 CD LYS A 97 9.482 6.487 9.381 1.00 0.00 C ATOM 1442 CE LYS A 97 9.876 5.706 8.137 1.00 0.00 C ATOM 1443 NZ LYS A 97 11.273 5.197 8.221 1.00 0.00 N ATOM 0 H LYS A 97 4.789 9.301 8.670 1.00 0.00 H new ATOM 0 HA LYS A 97 5.610 7.192 10.371 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.719 6.686 8.031 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.776 8.025 8.433 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.835 6.517 10.758 1.00 0.00 H new ATOM 0 HG3 LYS A 97 7.709 5.285 9.519 1.00 0.00 H new ATOM 0 HD2 LYS A 97 9.705 7.544 9.234 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.079 6.150 10.228 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.192 4.868 8.002 1.00 0.00 H new ATOM 0 HE3 LYS A 97 9.774 6.345 7.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.503 4.670 7.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 11.929 5.998 8.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.364 4.567 9.043 1.00 0.00 H new ATOM 1457 N GLU A 98 7.090 8.864 11.599 1.00 0.00 N ATOM 1458 CA GLU A 98 7.636 9.934 12.427 1.00 0.00 C ATOM 1459 C GLU A 98 6.537 10.894 12.871 1.00 0.00 C ATOM 1460 O GLU A 98 6.767 12.095 13.012 1.00 0.00 O ATOM 1461 CB GLU A 98 8.720 10.698 11.664 1.00 0.00 C ATOM 1462 CG GLU A 98 10.119 10.478 12.210 1.00 0.00 C ATOM 1463 CD GLU A 98 10.733 11.745 12.773 1.00 0.00 C ATOM 1464 OE1 GLU A 98 10.980 12.684 11.987 1.00 0.00 O ATOM 1465 OE2 GLU A 98 10.964 11.799 13.999 1.00 0.00 O ATOM 0 H GLU A 98 7.169 7.932 12.006 1.00 0.00 H new ATOM 0 HA GLU A 98 8.078 9.481 13.314 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.696 10.396 10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 98 8.491 11.763 11.694 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.085 9.718 12.990 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.758 10.091 11.416 1.00 0.00 H new ATOM 1472 N SER A 99 5.342 10.356 13.089 1.00 0.00 N ATOM 1473 CA SER A 99 4.204 11.164 13.513 1.00 0.00 C ATOM 1474 C SER A 99 4.655 12.298 14.428 1.00 0.00 C ATOM 1475 O SER A 99 5.567 12.149 15.242 1.00 0.00 O ATOM 1476 CB SER A 99 3.171 10.294 14.231 1.00 0.00 C ATOM 1477 OG SER A 99 3.616 9.941 15.529 1.00 0.00 O ATOM 0 H SER A 99 5.136 9.363 12.979 1.00 0.00 H new ATOM 0 HA SER A 99 3.747 11.597 12.624 1.00 0.00 H new ATOM 0 HB2 SER A 99 2.225 10.830 14.301 1.00 0.00 H new ATOM 0 HB3 SER A 99 2.984 9.391 13.649 1.00 0.00 H new ATOM 0 HG SER A 99 2.938 9.387 15.968 1.00 0.00 H new ATOM 1483 N PRO A 100 4.002 13.462 14.293 1.00 0.00 N ATOM 1484 CA PRO A 100 4.317 14.645 15.100 1.00 0.00 C ATOM 1485 C PRO A 100 3.914 14.476 16.560 1.00 0.00 C ATOM 1486 O PRO A 100 3.309 13.470 16.935 1.00 0.00 O ATOM 1487 CB PRO A 100 3.491 15.753 14.442 1.00 0.00 C ATOM 1488 CG PRO A 100 2.358 15.042 13.784 1.00 0.00 C ATOM 1489 CD PRO A 100 2.905 13.713 13.344 1.00 0.00 C ATOM 0 HA PRO A 100 5.388 14.849 15.123 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.133 16.471 15.180 1.00 0.00 H new ATOM 0 HB3 PRO A 100 4.083 16.310 13.716 1.00 0.00 H new ATOM 0 HG2 PRO A 100 1.525 14.912 14.475 1.00 0.00 H new ATOM 0 HG3 PRO A 100 1.981 15.610 12.933 1.00 0.00 H new ATOM 0 HD2 PRO A 100 2.147 12.931 13.391 1.00 0.00 H new ATOM 0 HD3 PRO A 100 3.264 13.747 12.315 1.00 0.00 H new ATOM 1497 N ASP A 101 4.252 15.464 17.381 1.00 0.00 N ATOM 1498 CA ASP A 101 3.922 15.425 18.801 1.00 0.00 C ATOM 1499 C ASP A 101 2.554 16.046 19.059 1.00 0.00 C ATOM 1500 O ASP A 101 2.024 16.775 18.221 1.00 0.00 O ATOM 1501 CB ASP A 101 4.991 16.157 19.614 1.00 0.00 C ATOM 1502 CG ASP A 101 6.352 15.497 19.510 1.00 0.00 C ATOM 1503 OD1 ASP A 101 6.444 14.283 19.784 1.00 0.00 O ATOM 1504 OD2 ASP A 101 7.324 16.196 19.155 1.00 0.00 O ATOM 0 H ASP A 101 4.754 16.302 17.088 1.00 0.00 H new ATOM 0 HA ASP A 101 3.890 14.381 19.113 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.063 17.188 19.268 1.00 0.00 H new ATOM 0 HB3 ASP A 101 4.687 16.192 20.660 1.00 0.00 H new ATOM 1509 N MET A 102 1.987 15.753 20.225 1.00 0.00 N ATOM 1510 CA MET A 102 0.679 16.284 20.593 1.00 0.00 C ATOM 1511 C MET A 102 0.705 17.809 20.641 1.00 0.00 C ATOM 1512 O MET A 102 1.761 18.418 20.813 1.00 0.00 O ATOM 1513 CB MET A 102 0.242 15.727 21.949 1.00 0.00 C ATOM 1514 CG MET A 102 -0.172 14.265 21.900 1.00 0.00 C ATOM 1515 SD MET A 102 0.106 13.413 23.465 1.00 0.00 S ATOM 1516 CE MET A 102 -1.088 12.083 23.342 1.00 0.00 C ATOM 0 H MET A 102 2.412 15.151 20.931 1.00 0.00 H new ATOM 0 HA MET A 102 -0.038 15.974 19.833 1.00 0.00 H new ATOM 0 HB2 MET A 102 1.060 15.841 22.660 1.00 0.00 H new ATOM 0 HB3 MET A 102 -0.592 16.320 22.325 1.00 0.00 H new ATOM 0 HG2 MET A 102 -1.228 14.199 21.637 1.00 0.00 H new ATOM 0 HG3 MET A 102 0.385 13.760 21.111 1.00 0.00 H new ATOM 0 HE1 MET A 102 -1.038 11.465 24.238 1.00 0.00 H new ATOM 0 HE2 MET A 102 -2.090 12.501 23.245 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.864 11.472 22.467 1.00 0.00 H new ATOM 1526 N THR A 103 -0.465 18.421 20.487 1.00 0.00 N ATOM 1527 CA THR A 103 -0.576 19.874 20.511 1.00 0.00 C ATOM 1528 C THR A 103 -2.010 20.311 20.788 1.00 0.00 C ATOM 1529 O THR A 103 -2.955 19.780 20.205 1.00 0.00 O ATOM 1530 CB THR A 103 -0.109 20.496 19.181 1.00 0.00 C ATOM 1531 OG1 THR A 103 -0.807 19.890 18.086 1.00 0.00 O ATOM 1532 CG2 THR A 103 1.390 20.315 18.996 1.00 0.00 C ATOM 0 H THR A 103 -1.349 17.933 20.344 1.00 0.00 H new ATOM 0 HA THR A 103 0.070 20.227 21.315 1.00 0.00 H new ATOM 0 HB THR A 103 -0.329 21.563 19.206 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.506 20.291 17.244 1.00 0.00 H new ATOM 0 HG21 THR A 103 1.696 20.762 18.050 1.00 0.00 H new ATOM 0 HG22 THR A 103 1.919 20.801 19.816 1.00 0.00 H new ATOM 0 HG23 THR A 103 1.630 19.252 18.989 1.00 0.00 H new ATOM 1540 N SER A 104 -2.165 21.284 21.680 1.00 0.00 N ATOM 1541 CA SER A 104 -3.485 21.791 22.037 1.00 0.00 C ATOM 1542 C SER A 104 -4.075 22.619 20.899 1.00 0.00 C ATOM 1543 O SER A 104 -3.351 23.303 20.174 1.00 0.00 O ATOM 1544 CB SER A 104 -3.404 22.638 23.308 1.00 0.00 C ATOM 1545 OG SER A 104 -4.309 22.169 24.292 1.00 0.00 O ATOM 0 H SER A 104 -1.393 21.737 22.169 1.00 0.00 H new ATOM 0 HA SER A 104 -4.137 20.937 22.219 1.00 0.00 H new ATOM 0 HB2 SER A 104 -2.388 22.612 23.702 1.00 0.00 H new ATOM 0 HB3 SER A 104 -3.627 23.678 23.070 1.00 0.00 H new ATOM 0 HG SER A 104 -4.237 22.726 25.095 1.00 0.00 H new ATOM 1551 N GLY A 105 -5.393 22.551 20.748 1.00 0.00 N ATOM 1552 CA GLY A 105 -6.060 23.298 19.696 1.00 0.00 C ATOM 1553 C GLY A 105 -7.542 22.992 19.617 1.00 0.00 C ATOM 1554 O GLY A 105 -7.980 22.132 18.855 1.00 0.00 O ATOM 0 H GLY A 105 -6.012 21.992 21.335 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -5.921 24.365 19.869 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.593 23.067 18.739 1.00 0.00 H new ATOM 1558 N PRO A 106 -8.341 23.708 20.423 1.00 0.00 N ATOM 1559 CA PRO A 106 -9.795 23.525 20.460 1.00 0.00 C ATOM 1560 C PRO A 106 -10.473 24.018 19.186 1.00 0.00 C ATOM 1561 O PRO A 106 -9.862 24.712 18.374 1.00 0.00 O ATOM 1562 CB PRO A 106 -10.228 24.373 21.659 1.00 0.00 C ATOM 1563 CG PRO A 106 -9.167 25.409 21.793 1.00 0.00 C ATOM 1564 CD PRO A 106 -7.887 24.750 21.359 1.00 0.00 C ATOM 0 HA PRO A 106 -10.072 22.474 20.541 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -11.205 24.826 21.491 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.308 23.769 22.563 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -9.389 26.277 21.172 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -9.095 25.763 22.822 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -7.214 25.458 20.876 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -7.348 24.323 22.205 1.00 0.00 H new ATOM 1572 N SER A 107 -11.741 23.654 19.019 1.00 0.00 N ATOM 1573 CA SER A 107 -12.502 24.057 17.841 1.00 0.00 C ATOM 1574 C SER A 107 -12.265 25.529 17.518 1.00 0.00 C ATOM 1575 O SER A 107 -12.067 26.348 18.415 1.00 0.00 O ATOM 1576 CB SER A 107 -13.995 23.805 18.063 1.00 0.00 C ATOM 1577 OG SER A 107 -14.598 23.260 16.901 1.00 0.00 O ATOM 0 H SER A 107 -12.262 23.082 19.683 1.00 0.00 H new ATOM 0 HA SER A 107 -12.161 23.459 16.996 1.00 0.00 H new ATOM 0 HB2 SER A 107 -14.131 23.122 18.902 1.00 0.00 H new ATOM 0 HB3 SER A 107 -14.489 24.739 18.329 1.00 0.00 H new ATOM 0 HG SER A 107 -15.551 23.106 17.069 1.00 0.00 H new ATOM 1583 N SER A 108 -12.287 25.857 16.230 1.00 0.00 N ATOM 1584 CA SER A 108 -12.072 27.230 15.787 1.00 0.00 C ATOM 1585 C SER A 108 -10.614 27.639 15.979 1.00 0.00 C ATOM 1586 O SER A 108 -9.890 27.043 16.775 1.00 0.00 O ATOM 1587 CB SER A 108 -12.988 28.185 16.554 1.00 0.00 C ATOM 1588 OG SER A 108 -13.763 28.971 15.665 1.00 0.00 O ATOM 0 H SER A 108 -12.451 25.191 15.475 1.00 0.00 H new ATOM 0 HA SER A 108 -12.310 27.286 14.725 1.00 0.00 H new ATOM 0 HB2 SER A 108 -13.647 27.615 17.209 1.00 0.00 H new ATOM 0 HB3 SER A 108 -12.389 28.835 17.192 1.00 0.00 H new ATOM 0 HG SER A 108 -14.342 29.572 16.179 1.00 0.00 H new ATOM 1594 N GLY A 109 -10.192 28.662 15.243 1.00 0.00 N ATOM 1595 CA GLY A 109 -8.824 29.135 15.346 1.00 0.00 C ATOM 1596 C GLY A 109 -8.051 28.962 14.053 1.00 0.00 C ATOM 1597 O GLY A 109 -8.032 29.858 13.210 1.00 0.00 O ATOM 0 H GLY A 109 -10.773 29.172 14.577 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.827 30.189 15.625 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.315 28.595 16.145 1.00 0.00 H new TER 1601 GLY A 109