USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 704 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 57 HIS : no HD1:sc= -0.461 X(o=-14,f=-14) USER MOD Set 1.2: A 59 HIS : no HD1:sc= -13.3! C(o=-14!,f=-14!) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.0976 (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 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 23:sc= 0.629 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.167 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 CYS SG : rot 90:sc= -1.98 USER MOD Single : A 38 MET CE :methyl -132:sc= -3.38! (180deg=-5.8!) USER MOD Single : A 41 GLN : amide:sc= -0.102 K(o=-0.1,f=-2!) USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 180:sc= -1.09 USER MOD Single : A 69 HIS : no HD1:sc= -0.165 X(o=-0.17,f=-0.41) USER MOD Single : A 71 SER OG : rot -21:sc= 0.252 USER MOD Single : A 76 GLN :FLIP amide:sc= 0.616 F(o=0,f=0.62) USER MOD Single : A 85 SER OG : rot -140:sc= -0.753 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -0.292 K(o=-0.29,f=-2.1!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.556 -15.824 4.753 1.00 0.00 N ATOM 2 CA GLY A 1 -7.969 -16.062 6.125 1.00 0.00 C ATOM 3 C GLY A 1 -9.126 -17.061 6.184 1.00 0.00 C ATOM 4 O GLY A 1 -9.488 -17.658 5.171 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.554 -16.079 4.643 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.133 -16.404 4.111 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.685 -14.818 4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.126 -16.442 6.702 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.272 -15.122 6.586 1.00 0.00 H new ATOM 8 N SER A 2 -9.676 -17.211 7.380 1.00 0.00 N ATOM 9 CA SER A 2 -10.785 -18.127 7.584 1.00 0.00 C ATOM 10 C SER A 2 -12.105 -17.354 7.607 1.00 0.00 C ATOM 11 O SER A 2 -12.349 -16.563 8.517 1.00 0.00 O ATOM 12 CB SER A 2 -10.612 -18.921 8.881 1.00 0.00 C ATOM 13 OG SER A 2 -10.914 -20.303 8.705 1.00 0.00 O ATOM 0 H SER A 2 -9.374 -16.713 8.218 1.00 0.00 H new ATOM 0 HA SER A 2 -10.801 -18.835 6.755 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.587 -18.816 9.236 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.261 -18.503 9.651 1.00 0.00 H new ATOM 0 HG SER A 2 -10.790 -20.776 9.554 1.00 0.00 H new ATOM 19 N SER A 3 -12.922 -17.610 6.596 1.00 0.00 N ATOM 20 CA SER A 3 -14.210 -16.947 6.489 1.00 0.00 C ATOM 21 C SER A 3 -15.224 -17.879 5.822 1.00 0.00 C ATOM 22 O SER A 3 -15.286 -17.960 4.597 1.00 0.00 O ATOM 23 CB SER A 3 -14.094 -15.640 5.702 1.00 0.00 C ATOM 24 OG SER A 3 -15.101 -14.703 6.073 1.00 0.00 O ATOM 0 H SER A 3 -12.717 -18.268 5.844 1.00 0.00 H new ATOM 0 HA SER A 3 -14.554 -16.705 7.495 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.111 -15.201 5.871 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.170 -15.851 4.635 1.00 0.00 H new ATOM 0 HG SER A 3 -14.992 -13.881 5.550 1.00 0.00 H new ATOM 30 N GLY A 4 -15.993 -18.561 6.659 1.00 0.00 N ATOM 31 CA GLY A 4 -17.001 -19.484 6.166 1.00 0.00 C ATOM 32 C GLY A 4 -16.366 -20.585 5.314 1.00 0.00 C ATOM 33 O GLY A 4 -15.498 -21.317 5.786 1.00 0.00 O ATOM 0 H GLY A 4 -15.938 -18.493 7.675 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.533 -19.930 7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.738 -18.941 5.575 1.00 0.00 H new ATOM 37 N SER A 5 -16.824 -20.667 4.074 1.00 0.00 N ATOM 38 CA SER A 5 -16.312 -21.666 3.152 1.00 0.00 C ATOM 39 C SER A 5 -15.152 -21.084 2.341 1.00 0.00 C ATOM 40 O SER A 5 -15.369 -20.412 1.334 1.00 0.00 O ATOM 41 CB SER A 5 -17.413 -22.169 2.216 1.00 0.00 C ATOM 42 OG SER A 5 -17.144 -23.481 1.731 1.00 0.00 O ATOM 0 H SER A 5 -17.544 -20.058 3.686 1.00 0.00 H new ATOM 0 HA SER A 5 -15.952 -22.514 3.734 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.367 -22.166 2.744 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.513 -21.485 1.374 1.00 0.00 H new ATOM 0 HG SER A 5 -17.871 -23.766 1.139 1.00 0.00 H new ATOM 48 N SER A 6 -13.945 -21.364 2.810 1.00 0.00 N ATOM 49 CA SER A 6 -12.750 -20.877 2.141 1.00 0.00 C ATOM 50 C SER A 6 -12.648 -19.358 2.294 1.00 0.00 C ATOM 51 O SER A 6 -13.661 -18.662 2.307 1.00 0.00 O ATOM 52 CB SER A 6 -12.752 -21.262 0.660 1.00 0.00 C ATOM 53 OG SER A 6 -11.444 -21.570 0.187 1.00 0.00 O ATOM 0 H SER A 6 -13.769 -21.922 3.645 1.00 0.00 H new ATOM 0 HA SER A 6 -11.882 -21.343 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.404 -22.123 0.510 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.166 -20.442 0.073 1.00 0.00 H new ATOM 0 HG SER A 6 -11.488 -21.812 -0.762 1.00 0.00 H new ATOM 59 N GLY A 7 -11.414 -18.889 2.407 1.00 0.00 N ATOM 60 CA GLY A 7 -11.165 -17.465 2.559 1.00 0.00 C ATOM 61 C GLY A 7 -9.956 -17.028 1.730 1.00 0.00 C ATOM 62 O GLY A 7 -9.101 -17.847 1.392 1.00 0.00 O ATOM 0 H GLY A 7 -10.576 -19.470 2.396 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.046 -16.903 2.248 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -10.993 -17.232 3.610 1.00 0.00 H new ATOM 66 N ARG A 8 -9.921 -15.739 1.426 1.00 0.00 N ATOM 67 CA ARG A 8 -8.831 -15.184 0.643 1.00 0.00 C ATOM 68 C ARG A 8 -8.239 -13.962 1.349 1.00 0.00 C ATOM 69 O ARG A 8 -8.950 -13.238 2.046 1.00 0.00 O ATOM 70 CB ARG A 8 -9.306 -14.777 -0.753 1.00 0.00 C ATOM 71 CG ARG A 8 -9.535 -16.007 -1.634 1.00 0.00 C ATOM 72 CD ARG A 8 -8.372 -16.208 -2.607 1.00 0.00 C ATOM 73 NE ARG A 8 -7.933 -17.621 -2.585 1.00 0.00 N ATOM 74 CZ ARG A 8 -7.165 -18.184 -3.528 1.00 0.00 C ATOM 75 NH1 ARG A 8 -6.746 -17.457 -4.573 1.00 0.00 N ATOM 76 NH2 ARG A 8 -6.815 -19.474 -3.425 1.00 0.00 N ATOM 0 H ARG A 8 -10.631 -15.063 1.708 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.068 -15.956 0.544 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.230 -14.204 -0.674 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -8.566 -14.125 -1.217 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -9.647 -16.892 -1.007 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -10.465 -15.892 -2.191 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.678 -15.929 -3.615 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -7.542 -15.556 -2.334 1.00 0.00 H new ATOM 0 HE ARG A 8 -8.234 -18.203 -1.803 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -7.012 -16.475 -4.651 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -6.161 -17.885 -5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.133 -20.027 -2.629 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.231 -19.903 -4.143 1.00 0.00 H new ATOM 90 N PRO A 9 -6.910 -13.764 1.140 1.00 0.00 N ATOM 91 CA PRO A 9 -6.215 -12.642 1.748 1.00 0.00 C ATOM 92 C PRO A 9 -6.558 -11.333 1.034 1.00 0.00 C ATOM 93 O PRO A 9 -7.229 -11.341 0.003 1.00 0.00 O ATOM 94 CB PRO A 9 -4.740 -12.998 1.659 1.00 0.00 C ATOM 95 CG PRO A 9 -4.636 -14.080 0.596 1.00 0.00 C ATOM 96 CD PRO A 9 -6.037 -14.600 0.321 1.00 0.00 C ATOM 0 HA PRO A 9 -6.509 -12.476 2.784 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.143 -12.127 1.389 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.366 -13.356 2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.192 -13.679 -0.315 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.989 -14.888 0.936 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.289 -14.519 -0.736 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -6.129 -15.652 0.591 1.00 0.00 H new ATOM 104 N HIS A 10 -6.081 -10.239 1.611 1.00 0.00 N ATOM 105 CA HIS A 10 -6.328 -8.925 1.042 1.00 0.00 C ATOM 106 C HIS A 10 -5.048 -8.399 0.390 1.00 0.00 C ATOM 107 O HIS A 10 -4.104 -8.023 1.083 1.00 0.00 O ATOM 108 CB HIS A 10 -6.890 -7.973 2.100 1.00 0.00 C ATOM 109 CG HIS A 10 -8.268 -8.345 2.591 1.00 0.00 C ATOM 110 ND1 HIS A 10 -9.427 -7.927 1.959 1.00 0.00 N ATOM 111 CD2 HIS A 10 -8.662 -9.099 3.657 1.00 0.00 C ATOM 112 CE1 HIS A 10 -10.465 -8.413 2.625 1.00 0.00 C ATOM 113 NE2 HIS A 10 -9.988 -9.139 3.676 1.00 0.00 N ATOM 0 H HIS A 10 -5.525 -10.236 2.466 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.087 -8.998 0.263 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -6.208 -7.947 2.950 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -6.923 -6.965 1.686 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.006 -9.582 4.366 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.505 -8.261 2.379 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.557 -9.632 4.364 1.00 0.00 H new ATOM 121 N VAL A 11 -5.058 -8.389 -0.934 1.00 0.00 N ATOM 122 CA VAL A 11 -3.909 -7.915 -1.688 1.00 0.00 C ATOM 123 C VAL A 11 -4.042 -6.408 -1.917 1.00 0.00 C ATOM 124 O VAL A 11 -4.671 -5.976 -2.881 1.00 0.00 O ATOM 125 CB VAL A 11 -3.774 -8.708 -2.989 1.00 0.00 C ATOM 126 CG1 VAL A 11 -2.774 -8.040 -3.936 1.00 0.00 C ATOM 127 CG2 VAL A 11 -3.378 -10.159 -2.708 1.00 0.00 C ATOM 0 H VAL A 11 -5.843 -8.701 -1.505 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.989 -8.079 -1.127 1.00 0.00 H new ATOM 0 HB VAL A 11 -4.747 -8.716 -3.480 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.696 -8.623 -4.853 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.116 -7.033 -4.174 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.797 -7.988 -3.455 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.289 -10.701 -3.650 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.422 -10.180 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.141 -10.631 -2.089 1.00 0.00 H new ATOM 137 N VAL A 12 -3.438 -5.649 -1.014 1.00 0.00 N ATOM 138 CA VAL A 12 -3.481 -4.199 -1.105 1.00 0.00 C ATOM 139 C VAL A 12 -2.477 -3.730 -2.160 1.00 0.00 C ATOM 140 O VAL A 12 -1.316 -4.138 -2.143 1.00 0.00 O ATOM 141 CB VAL A 12 -3.235 -3.581 0.272 1.00 0.00 C ATOM 142 CG1 VAL A 12 -3.321 -2.054 0.211 1.00 0.00 C ATOM 143 CG2 VAL A 12 -4.210 -4.144 1.308 1.00 0.00 C ATOM 0 H VAL A 12 -2.916 -6.011 -0.216 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.468 -3.864 -1.424 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.225 -3.848 0.583 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.142 -1.640 1.203 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.570 -1.675 -0.481 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.313 -1.759 -0.132 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.013 -3.688 2.278 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.233 -3.922 1.003 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -4.079 -5.224 1.381 1.00 0.00 H new ATOM 153 N LYS A 13 -2.959 -2.878 -3.052 1.00 0.00 N ATOM 154 CA LYS A 13 -2.118 -2.348 -4.112 1.00 0.00 C ATOM 155 C LYS A 13 -1.751 -0.898 -3.789 1.00 0.00 C ATOM 156 O LYS A 13 -2.579 0.001 -3.925 1.00 0.00 O ATOM 157 CB LYS A 13 -2.797 -2.522 -5.472 1.00 0.00 C ATOM 158 CG LYS A 13 -2.935 -4.003 -5.831 1.00 0.00 C ATOM 159 CD LYS A 13 -4.018 -4.212 -6.890 1.00 0.00 C ATOM 160 CE LYS A 13 -5.411 -3.973 -6.305 1.00 0.00 C ATOM 161 NZ LYS A 13 -6.455 -4.284 -7.307 1.00 0.00 N ATOM 0 H LYS A 13 -3.922 -2.541 -3.063 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.185 -2.908 -4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.782 -2.056 -5.453 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.217 -2.011 -6.240 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.982 -4.381 -6.201 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -3.180 -4.576 -4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.850 -3.533 -7.726 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.955 -5.226 -7.285 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.552 -4.594 -5.420 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.504 -2.935 -5.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.394 -4.116 -6.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.330 -3.674 -8.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.376 -5.281 -7.593 1.00 0.00 H new ATOM 175 N VAL A 14 -0.508 -0.716 -3.368 1.00 0.00 N ATOM 176 CA VAL A 14 -0.021 0.609 -3.024 1.00 0.00 C ATOM 177 C VAL A 14 0.805 1.162 -4.188 1.00 0.00 C ATOM 178 O VAL A 14 1.658 0.465 -4.735 1.00 0.00 O ATOM 179 CB VAL A 14 0.761 0.555 -1.710 1.00 0.00 C ATOM 180 CG1 VAL A 14 1.486 1.877 -1.448 1.00 0.00 C ATOM 181 CG2 VAL A 14 -0.157 0.192 -0.541 1.00 0.00 C ATOM 0 H VAL A 14 0.176 -1.464 -3.257 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.855 1.292 -2.863 1.00 0.00 H new ATOM 0 HB VAL A 14 1.514 -0.227 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.034 1.811 -0.508 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.184 2.077 -2.261 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.758 2.686 -1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.423 0.160 0.381 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.943 0.941 -0.449 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.606 -0.785 -0.721 1.00 0.00 H new ATOM 191 N TYR A 15 0.521 2.409 -4.533 1.00 0.00 N ATOM 192 CA TYR A 15 1.226 3.063 -5.622 1.00 0.00 C ATOM 193 C TYR A 15 2.287 4.027 -5.087 1.00 0.00 C ATOM 194 O TYR A 15 2.102 4.640 -4.037 1.00 0.00 O ATOM 195 CB TYR A 15 0.170 3.861 -6.390 1.00 0.00 C ATOM 196 CG TYR A 15 -0.779 2.997 -7.222 1.00 0.00 C ATOM 197 CD1 TYR A 15 -1.800 2.303 -6.606 1.00 0.00 C ATOM 198 CD2 TYR A 15 -0.614 2.911 -8.590 1.00 0.00 C ATOM 199 CE1 TYR A 15 -2.694 1.490 -7.389 1.00 0.00 C ATOM 200 CE2 TYR A 15 -1.507 2.098 -9.373 1.00 0.00 C ATOM 201 CZ TYR A 15 -2.503 1.428 -8.734 1.00 0.00 C ATOM 202 OH TYR A 15 -3.347 0.659 -9.474 1.00 0.00 O ATOM 0 H TYR A 15 -0.188 2.984 -4.078 1.00 0.00 H new ATOM 0 HA TYR A 15 1.731 2.328 -6.248 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.415 4.446 -5.681 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.673 4.569 -7.049 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -1.929 2.370 -5.536 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.185 3.454 -9.073 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -3.497 0.942 -6.919 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.389 2.022 -10.444 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.092 0.710 -10.419 1.00 0.00 H new ATOM 212 N SER A 16 3.377 4.131 -5.834 1.00 0.00 N ATOM 213 CA SER A 16 4.468 5.010 -5.448 1.00 0.00 C ATOM 214 C SER A 16 4.458 6.269 -6.318 1.00 0.00 C ATOM 215 O SER A 16 4.121 6.209 -7.500 1.00 0.00 O ATOM 216 CB SER A 16 5.816 4.296 -5.562 1.00 0.00 C ATOM 217 OG SER A 16 6.442 4.131 -4.292 1.00 0.00 O ATOM 0 H SER A 16 3.528 3.621 -6.704 1.00 0.00 H new ATOM 0 HA SER A 16 4.326 5.296 -4.406 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.671 3.320 -6.024 1.00 0.00 H new ATOM 0 HB3 SER A 16 6.473 4.865 -6.219 1.00 0.00 H new ATOM 0 HG SER A 16 7.299 3.670 -4.407 1.00 0.00 H new ATOM 223 N GLU A 17 4.833 7.379 -5.700 1.00 0.00 N ATOM 224 CA GLU A 17 4.872 8.650 -6.403 1.00 0.00 C ATOM 225 C GLU A 17 5.420 8.457 -7.819 1.00 0.00 C ATOM 226 O GLU A 17 4.788 8.862 -8.793 1.00 0.00 O ATOM 227 CB GLU A 17 5.700 9.679 -5.631 1.00 0.00 C ATOM 228 CG GLU A 17 4.799 10.729 -4.978 1.00 0.00 C ATOM 229 CD GLU A 17 5.410 12.127 -5.099 1.00 0.00 C ATOM 230 OE1 GLU A 17 5.966 12.412 -6.182 1.00 0.00 O ATOM 231 OE2 GLU A 17 5.307 12.879 -4.106 1.00 0.00 O ATOM 0 H GLU A 17 5.113 7.425 -4.720 1.00 0.00 H new ATOM 0 HA GLU A 17 3.854 9.033 -6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 17 6.291 9.175 -4.866 1.00 0.00 H new ATOM 0 HB3 GLU A 17 6.402 10.167 -6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.817 10.715 -5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.650 10.483 -3.927 1.00 0.00 H new ATOM 238 N ASP A 18 6.590 7.839 -7.887 1.00 0.00 N ATOM 239 CA ASP A 18 7.230 7.587 -9.167 1.00 0.00 C ATOM 240 C ASP A 18 6.201 7.012 -10.142 1.00 0.00 C ATOM 241 O ASP A 18 6.119 7.444 -11.291 1.00 0.00 O ATOM 242 CB ASP A 18 8.366 6.572 -9.025 1.00 0.00 C ATOM 243 CG ASP A 18 9.668 6.956 -9.731 1.00 0.00 C ATOM 244 OD1 ASP A 18 9.598 7.208 -10.953 1.00 0.00 O ATOM 245 OD2 ASP A 18 10.703 6.990 -9.032 1.00 0.00 O ATOM 0 H ASP A 18 7.111 7.505 -7.076 1.00 0.00 H new ATOM 0 HA ASP A 18 7.634 8.531 -9.534 1.00 0.00 H new ATOM 0 HB2 ASP A 18 8.574 6.428 -7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 18 8.027 5.613 -9.417 1.00 0.00 H new ATOM 250 N GLY A 19 5.441 6.045 -9.649 1.00 0.00 N ATOM 251 CA GLY A 19 4.421 5.406 -10.463 1.00 0.00 C ATOM 252 C GLY A 19 4.413 3.892 -10.243 1.00 0.00 C ATOM 253 O GLY A 19 3.381 3.242 -10.404 1.00 0.00 O ATOM 0 H GLY A 19 5.511 5.689 -8.696 1.00 0.00 H new ATOM 0 HA2 GLY A 19 3.443 5.818 -10.216 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.602 5.623 -11.516 1.00 0.00 H new ATOM 257 N ALA A 20 5.576 3.373 -9.877 1.00 0.00 N ATOM 258 CA ALA A 20 5.717 1.948 -9.633 1.00 0.00 C ATOM 259 C ALA A 20 4.577 1.475 -8.729 1.00 0.00 C ATOM 260 O ALA A 20 4.356 2.037 -7.658 1.00 0.00 O ATOM 261 CB ALA A 20 7.094 1.666 -9.031 1.00 0.00 C ATOM 0 H ALA A 20 6.430 3.915 -9.744 1.00 0.00 H new ATOM 0 HA ALA A 20 5.650 1.390 -10.567 1.00 0.00 H new ATOM 0 HB1 ALA A 20 7.199 0.597 -8.848 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.868 1.993 -9.725 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.198 2.207 -8.090 1.00 0.00 H new ATOM 267 N CYS A 21 3.883 0.446 -9.194 1.00 0.00 N ATOM 268 CA CYS A 21 2.772 -0.109 -8.441 1.00 0.00 C ATOM 269 C CYS A 21 3.260 -1.368 -7.721 1.00 0.00 C ATOM 270 O CYS A 21 3.857 -2.248 -8.339 1.00 0.00 O ATOM 271 CB CYS A 21 1.567 -0.396 -9.339 1.00 0.00 C ATOM 272 SG CYS A 21 1.970 -1.736 -10.518 1.00 0.00 S ATOM 0 H CYS A 21 4.069 -0.018 -10.083 1.00 0.00 H new ATOM 0 HA CYS A 21 2.429 0.619 -7.706 1.00 0.00 H new ATOM 0 HB2 CYS A 21 0.709 -0.682 -8.730 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.285 0.506 -9.883 1.00 0.00 H new ATOM 0 HG CYS A 21 2.947 -2.451 -10.045 1.00 0.00 H new ATOM 278 N ARG A 22 2.988 -1.413 -6.425 1.00 0.00 N ATOM 279 CA ARG A 22 3.392 -2.549 -5.615 1.00 0.00 C ATOM 280 C ARG A 22 2.267 -2.945 -4.656 1.00 0.00 C ATOM 281 O ARG A 22 1.524 -2.088 -4.178 1.00 0.00 O ATOM 282 CB ARG A 22 4.652 -2.230 -4.807 1.00 0.00 C ATOM 283 CG ARG A 22 4.377 -1.138 -3.771 1.00 0.00 C ATOM 284 CD ARG A 22 5.671 -0.431 -3.363 1.00 0.00 C ATOM 285 NE ARG A 22 6.511 -1.341 -2.553 1.00 0.00 N ATOM 286 CZ ARG A 22 7.496 -2.099 -3.054 1.00 0.00 C ATOM 287 NH1 ARG A 22 7.769 -2.062 -4.365 1.00 0.00 N ATOM 288 NH2 ARG A 22 8.207 -2.896 -2.244 1.00 0.00 N ATOM 0 H ARG A 22 2.493 -0.681 -5.916 1.00 0.00 H new ATOM 0 HA ARG A 22 3.607 -3.377 -6.290 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.005 -3.131 -4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.447 -1.907 -5.479 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.675 -0.412 -4.181 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.905 -1.576 -2.892 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.217 -0.113 -4.251 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.439 0.468 -2.792 1.00 0.00 H new ATOM 0 HE ARG A 22 6.329 -1.395 -1.551 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.227 -1.457 -4.982 1.00 0.00 H new ATOM 0 HH12 ARG A 22 8.519 -2.639 -4.746 1.00 0.00 H new ATOM 0 HH21 ARG A 22 7.998 -2.926 -1.246 1.00 0.00 H new ATOM 0 HH22 ARG A 22 8.957 -3.473 -2.626 1.00 0.00 H new ATOM 302 N SER A 23 2.176 -4.242 -4.404 1.00 0.00 N ATOM 303 CA SER A 23 1.154 -4.761 -3.511 1.00 0.00 C ATOM 304 C SER A 23 1.787 -5.695 -2.478 1.00 0.00 C ATOM 305 O SER A 23 2.893 -6.193 -2.681 1.00 0.00 O ATOM 306 CB SER A 23 0.062 -5.496 -4.292 1.00 0.00 C ATOM 307 OG SER A 23 0.577 -6.619 -5.002 1.00 0.00 O ATOM 0 H SER A 23 2.793 -4.949 -4.803 1.00 0.00 H new ATOM 0 HA SER A 23 0.691 -3.920 -2.995 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.715 -5.828 -3.603 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.407 -4.807 -4.994 1.00 0.00 H new ATOM 0 HG SER A 23 -0.151 -7.062 -5.486 1.00 0.00 H new ATOM 313 N VAL A 24 1.058 -5.905 -1.391 1.00 0.00 N ATOM 314 CA VAL A 24 1.535 -6.770 -0.326 1.00 0.00 C ATOM 315 C VAL A 24 0.384 -7.653 0.162 1.00 0.00 C ATOM 316 O VAL A 24 -0.779 -7.257 0.091 1.00 0.00 O ATOM 317 CB VAL A 24 2.159 -5.931 0.790 1.00 0.00 C ATOM 318 CG1 VAL A 24 3.480 -5.307 0.334 1.00 0.00 C ATOM 319 CG2 VAL A 24 1.185 -4.857 1.279 1.00 0.00 C ATOM 0 H VAL A 24 0.141 -5.491 -1.225 1.00 0.00 H new ATOM 0 HA VAL A 24 2.319 -7.432 -0.694 1.00 0.00 H new ATOM 0 HB VAL A 24 2.374 -6.595 1.628 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.903 -4.716 1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.179 -6.096 0.058 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.300 -4.664 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.654 -4.275 2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.924 -4.198 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.282 -5.332 1.663 1.00 0.00 H new ATOM 329 N GLU A 25 0.748 -8.831 0.646 1.00 0.00 N ATOM 330 CA GLU A 25 -0.240 -9.772 1.145 1.00 0.00 C ATOM 331 C GLU A 25 -0.527 -9.506 2.624 1.00 0.00 C ATOM 332 O GLU A 25 0.342 -9.698 3.473 1.00 0.00 O ATOM 333 CB GLU A 25 0.219 -11.216 0.927 1.00 0.00 C ATOM 334 CG GLU A 25 -0.700 -11.940 -0.060 1.00 0.00 C ATOM 335 CD GLU A 25 -0.734 -13.443 0.225 1.00 0.00 C ATOM 336 OE1 GLU A 25 -1.493 -13.830 1.140 1.00 0.00 O ATOM 337 OE2 GLU A 25 -0.001 -14.170 -0.478 1.00 0.00 O ATOM 0 H GLU A 25 1.713 -9.155 0.703 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.164 -9.630 0.584 1.00 0.00 H new ATOM 0 HB2 GLU A 25 1.242 -11.223 0.550 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.227 -11.747 1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -1.708 -11.530 0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -0.354 -11.767 -1.079 1.00 0.00 H new ATOM 344 N VAL A 26 -1.749 -9.068 2.887 1.00 0.00 N ATOM 345 CA VAL A 26 -2.162 -8.773 4.249 1.00 0.00 C ATOM 346 C VAL A 26 -3.523 -9.419 4.516 1.00 0.00 C ATOM 347 O VAL A 26 -4.115 -10.020 3.621 1.00 0.00 O ATOM 348 CB VAL A 26 -2.162 -7.261 4.480 1.00 0.00 C ATOM 349 CG1 VAL A 26 -0.768 -6.671 4.252 1.00 0.00 C ATOM 350 CG2 VAL A 26 -3.201 -6.571 3.594 1.00 0.00 C ATOM 0 H VAL A 26 -2.467 -8.910 2.180 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.456 -9.197 4.963 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.436 -7.081 5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -0.796 -5.595 4.423 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.061 -7.130 4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.453 -6.868 3.227 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.180 -5.497 3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.971 -6.764 2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -4.193 -6.960 3.826 1.00 0.00 H new ATOM 360 N ALA A 27 -3.979 -9.273 5.752 1.00 0.00 N ATOM 361 CA ALA A 27 -5.259 -9.835 6.148 1.00 0.00 C ATOM 362 C ALA A 27 -5.954 -8.875 7.115 1.00 0.00 C ATOM 363 O ALA A 27 -5.297 -8.090 7.796 1.00 0.00 O ATOM 364 CB ALA A 27 -5.041 -11.221 6.758 1.00 0.00 C ATOM 0 H ALA A 27 -3.485 -8.774 6.492 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.909 -9.959 5.282 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -6.001 -11.643 7.055 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -4.571 -11.873 6.022 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.396 -11.136 7.632 1.00 0.00 H new ATOM 370 N ALA A 28 -7.276 -8.970 7.145 1.00 0.00 N ATOM 371 CA ALA A 28 -8.068 -8.120 8.018 1.00 0.00 C ATOM 372 C ALA A 28 -7.415 -8.067 9.400 1.00 0.00 C ATOM 373 O ALA A 28 -7.624 -8.955 10.225 1.00 0.00 O ATOM 374 CB ALA A 28 -9.505 -8.642 8.072 1.00 0.00 C ATOM 0 H ALA A 28 -7.818 -9.623 6.579 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.105 -7.101 7.632 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.099 -8.005 8.727 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.933 -8.633 7.070 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.508 -9.661 8.458 1.00 0.00 H new ATOM 380 N GLY A 29 -6.636 -7.016 9.612 1.00 0.00 N ATOM 381 CA GLY A 29 -5.951 -6.835 10.880 1.00 0.00 C ATOM 382 C GLY A 29 -4.790 -5.848 10.741 1.00 0.00 C ATOM 383 O GLY A 29 -4.690 -4.890 11.505 1.00 0.00 O ATOM 0 H GLY A 29 -6.464 -6.281 8.926 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.655 -6.471 11.629 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.576 -7.795 11.235 1.00 0.00 H new ATOM 387 N ALA A 30 -3.942 -6.117 9.759 1.00 0.00 N ATOM 388 CA ALA A 30 -2.792 -5.265 9.509 1.00 0.00 C ATOM 389 C ALA A 30 -3.256 -3.812 9.387 1.00 0.00 C ATOM 390 O ALA A 30 -4.410 -3.551 9.050 1.00 0.00 O ATOM 391 CB ALA A 30 -2.059 -5.750 8.257 1.00 0.00 C ATOM 0 H ALA A 30 -4.028 -6.913 9.127 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.088 -5.318 10.339 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -1.196 -5.111 8.070 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -1.724 -6.777 8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -2.733 -5.709 7.402 1.00 0.00 H new ATOM 397 N THR A 31 -2.333 -2.904 9.669 1.00 0.00 N ATOM 398 CA THR A 31 -2.633 -1.484 9.595 1.00 0.00 C ATOM 399 C THR A 31 -1.712 -0.796 8.586 1.00 0.00 C ATOM 400 O THR A 31 -0.843 -1.436 7.996 1.00 0.00 O ATOM 401 CB THR A 31 -2.528 -0.905 11.008 1.00 0.00 C ATOM 402 OG1 THR A 31 -1.125 -0.817 11.243 1.00 0.00 O ATOM 403 CG2 THR A 31 -3.025 -1.877 12.078 1.00 0.00 C ATOM 0 H THR A 31 -1.377 -3.124 9.949 1.00 0.00 H new ATOM 0 HA THR A 31 -3.646 -1.312 9.232 1.00 0.00 H new ATOM 0 HB THR A 31 -3.102 0.020 11.065 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.966 -0.449 12.137 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.928 -1.416 13.061 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.071 -2.119 11.892 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.430 -2.790 12.045 1.00 0.00 H new ATOM 411 N ALA A 32 -1.934 0.499 8.418 1.00 0.00 N ATOM 412 CA ALA A 32 -1.135 1.281 7.490 1.00 0.00 C ATOM 413 C ALA A 32 0.343 1.152 7.862 1.00 0.00 C ATOM 414 O ALA A 32 1.219 1.384 7.031 1.00 0.00 O ATOM 415 CB ALA A 32 -1.614 2.734 7.502 1.00 0.00 C ATOM 0 H ALA A 32 -2.656 1.027 8.909 1.00 0.00 H new ATOM 0 HA ALA A 32 -1.253 0.907 6.473 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -1.014 3.321 6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.661 2.774 7.202 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.508 3.144 8.506 1.00 0.00 H new ATOM 421 N ARG A 33 0.576 0.781 9.113 1.00 0.00 N ATOM 422 CA ARG A 33 1.933 0.618 9.605 1.00 0.00 C ATOM 423 C ARG A 33 2.532 -0.690 9.086 1.00 0.00 C ATOM 424 O ARG A 33 3.681 -0.719 8.646 1.00 0.00 O ATOM 425 CB ARG A 33 1.967 0.614 11.135 1.00 0.00 C ATOM 426 CG ARG A 33 3.205 -0.119 11.654 1.00 0.00 C ATOM 427 CD ARG A 33 4.488 0.562 11.173 1.00 0.00 C ATOM 428 NE ARG A 33 5.406 0.775 12.314 1.00 0.00 N ATOM 429 CZ ARG A 33 5.866 -0.207 13.102 1.00 0.00 C ATOM 430 NH1 ARG A 33 5.496 -1.475 12.877 1.00 0.00 N ATOM 431 NH2 ARG A 33 6.696 0.080 14.114 1.00 0.00 N ATOM 0 H ARG A 33 -0.153 0.589 9.800 1.00 0.00 H new ATOM 0 HA ARG A 33 2.521 1.461 9.241 1.00 0.00 H new ATOM 0 HB2 ARG A 33 1.965 1.639 11.505 1.00 0.00 H new ATOM 0 HB3 ARG A 33 1.068 0.134 11.521 1.00 0.00 H new ATOM 0 HG2 ARG A 33 3.188 -0.142 12.744 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.189 -1.154 11.313 1.00 0.00 H new ATOM 0 HD2 ARG A 33 4.973 -0.052 10.415 1.00 0.00 H new ATOM 0 HD3 ARG A 33 4.249 1.517 10.705 1.00 0.00 H new ATOM 0 HE ARG A 33 5.708 1.729 12.513 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.864 -1.693 12.106 1.00 0.00 H new ATOM 0 HH12 ARG A 33 5.846 -2.222 13.476 1.00 0.00 H new ATOM 0 HH21 ARG A 33 6.978 1.045 14.285 1.00 0.00 H new ATOM 0 HH22 ARG A 33 7.046 -0.667 14.714 1.00 0.00 H new ATOM 445 N HIS A 34 1.728 -1.741 9.154 1.00 0.00 N ATOM 446 CA HIS A 34 2.165 -3.048 8.695 1.00 0.00 C ATOM 447 C HIS A 34 2.731 -2.933 7.279 1.00 0.00 C ATOM 448 O HIS A 34 3.885 -3.284 7.037 1.00 0.00 O ATOM 449 CB HIS A 34 1.029 -4.068 8.798 1.00 0.00 C ATOM 450 CG HIS A 34 1.014 -4.843 10.094 1.00 0.00 C ATOM 451 ND1 HIS A 34 0.823 -4.241 11.326 1.00 0.00 N ATOM 452 CD2 HIS A 34 1.168 -6.176 10.337 1.00 0.00 C ATOM 453 CE1 HIS A 34 0.863 -5.179 12.261 1.00 0.00 C ATOM 454 NE2 HIS A 34 1.078 -6.377 11.646 1.00 0.00 N ATOM 0 H HIS A 34 0.776 -1.714 9.520 1.00 0.00 H new ATOM 0 HA HIS A 34 2.964 -3.414 9.339 1.00 0.00 H new ATOM 0 HB2 HIS A 34 0.077 -3.549 8.686 1.00 0.00 H new ATOM 0 HB3 HIS A 34 1.109 -4.770 7.968 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.335 -6.939 9.591 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.746 -5.022 13.323 1.00 0.00 H new ATOM 0 HE2 HIS A 34 1.157 -7.279 12.115 1.00 0.00 H new ATOM 462 N VAL A 35 1.893 -2.440 6.379 1.00 0.00 N ATOM 463 CA VAL A 35 2.295 -2.274 4.993 1.00 0.00 C ATOM 464 C VAL A 35 3.560 -1.414 4.933 1.00 0.00 C ATOM 465 O VAL A 35 4.554 -1.808 4.324 1.00 0.00 O ATOM 466 CB VAL A 35 1.138 -1.692 4.178 1.00 0.00 C ATOM 467 CG1 VAL A 35 1.594 -1.322 2.765 1.00 0.00 C ATOM 468 CG2 VAL A 35 -0.045 -2.662 4.136 1.00 0.00 C ATOM 0 H VAL A 35 0.937 -2.150 6.583 1.00 0.00 H new ATOM 0 HA VAL A 35 2.536 -3.239 4.547 1.00 0.00 H new ATOM 0 HB VAL A 35 0.806 -0.779 4.672 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.753 -0.911 2.207 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.389 -0.579 2.822 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.965 -2.212 2.258 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.854 -2.224 3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.269 -3.599 3.677 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.394 -2.854 5.151 1.00 0.00 H new ATOM 478 N CYS A 36 3.481 -0.256 5.572 1.00 0.00 N ATOM 479 CA CYS A 36 4.606 0.662 5.599 1.00 0.00 C ATOM 480 C CYS A 36 5.865 -0.131 5.959 1.00 0.00 C ATOM 481 O CYS A 36 6.931 0.098 5.390 1.00 0.00 O ATOM 482 CB CYS A 36 4.367 1.822 6.567 1.00 0.00 C ATOM 483 SG CYS A 36 3.205 3.026 5.826 1.00 0.00 S ATOM 0 H CYS A 36 2.655 0.067 6.075 1.00 0.00 H new ATOM 0 HA CYS A 36 4.732 1.115 4.616 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.963 1.445 7.507 1.00 0.00 H new ATOM 0 HB3 CYS A 36 5.312 2.312 6.800 1.00 0.00 H new ATOM 0 HG CYS A 36 1.985 2.698 6.135 1.00 0.00 H new ATOM 489 N GLU A 37 5.699 -1.047 6.902 1.00 0.00 N ATOM 490 CA GLU A 37 6.808 -1.875 7.344 1.00 0.00 C ATOM 491 C GLU A 37 7.110 -2.957 6.305 1.00 0.00 C ATOM 492 O GLU A 37 8.271 -3.213 5.991 1.00 0.00 O ATOM 493 CB GLU A 37 6.517 -2.495 8.712 1.00 0.00 C ATOM 494 CG GLU A 37 6.867 -1.522 9.840 1.00 0.00 C ATOM 495 CD GLU A 37 8.288 -1.765 10.353 1.00 0.00 C ATOM 496 OE1 GLU A 37 8.847 -2.823 9.995 1.00 0.00 O ATOM 497 OE2 GLU A 37 8.782 -0.886 11.093 1.00 0.00 O ATOM 0 H GLU A 37 4.813 -1.234 7.372 1.00 0.00 H new ATOM 0 HA GLU A 37 7.690 -1.243 7.448 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.463 -2.767 8.775 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.091 -3.414 8.828 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.776 -0.497 9.482 1.00 0.00 H new ATOM 0 HG3 GLU A 37 6.156 -1.638 10.658 1.00 0.00 H new ATOM 504 N MET A 38 6.045 -3.561 5.800 1.00 0.00 N ATOM 505 CA MET A 38 6.182 -4.609 4.803 1.00 0.00 C ATOM 506 C MET A 38 6.808 -4.064 3.517 1.00 0.00 C ATOM 507 O MET A 38 7.392 -4.817 2.740 1.00 0.00 O ATOM 508 CB MET A 38 4.806 -5.200 4.490 1.00 0.00 C ATOM 509 CG MET A 38 4.260 -5.982 5.687 1.00 0.00 C ATOM 510 SD MET A 38 2.504 -6.242 5.496 1.00 0.00 S ATOM 511 CE MET A 38 2.503 -7.318 4.073 1.00 0.00 C ATOM 0 H MET A 38 5.083 -3.345 6.062 1.00 0.00 H new ATOM 0 HA MET A 38 6.837 -5.383 5.204 1.00 0.00 H new ATOM 0 HB2 MET A 38 4.114 -4.400 4.227 1.00 0.00 H new ATOM 0 HB3 MET A 38 4.877 -5.857 3.623 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.771 -6.941 5.769 1.00 0.00 H new ATOM 0 HG3 MET A 38 4.457 -5.436 6.609 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.776 -6.958 3.345 1.00 0.00 H new ATOM 0 HE2 MET A 38 3.495 -7.326 3.622 1.00 0.00 H new ATOM 0 HE3 MET A 38 2.237 -8.329 4.381 1.00 0.00 H new ATOM 521 N LEU A 39 6.665 -2.760 3.334 1.00 0.00 N ATOM 522 CA LEU A 39 7.209 -2.106 2.156 1.00 0.00 C ATOM 523 C LEU A 39 8.658 -1.696 2.429 1.00 0.00 C ATOM 524 O LEU A 39 9.573 -2.145 1.741 1.00 0.00 O ATOM 525 CB LEU A 39 6.312 -0.943 1.727 1.00 0.00 C ATOM 526 CG LEU A 39 4.879 -1.311 1.337 1.00 0.00 C ATOM 527 CD1 LEU A 39 4.013 -0.058 1.188 1.00 0.00 C ATOM 528 CD2 LEU A 39 4.858 -2.175 0.074 1.00 0.00 C ATOM 0 H LEU A 39 6.180 -2.139 3.982 1.00 0.00 H new ATOM 0 HA LEU A 39 7.225 -2.795 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.272 -0.221 2.543 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.781 -0.442 0.880 1.00 0.00 H new ATOM 0 HG LEU A 39 4.449 -1.907 2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.999 -0.347 0.910 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.990 0.483 2.134 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.432 0.584 0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.827 -2.422 -0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.314 -1.626 -0.750 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.418 -3.093 0.252 1.00 0.00 H new ATOM 540 N VAL A 40 8.820 -0.849 3.435 1.00 0.00 N ATOM 541 CA VAL A 40 10.142 -0.374 3.807 1.00 0.00 C ATOM 542 C VAL A 40 11.098 -1.564 3.905 1.00 0.00 C ATOM 543 O VAL A 40 12.204 -1.523 3.368 1.00 0.00 O ATOM 544 CB VAL A 40 10.061 0.436 5.103 1.00 0.00 C ATOM 545 CG1 VAL A 40 9.376 1.783 4.865 1.00 0.00 C ATOM 546 CG2 VAL A 40 9.347 -0.355 6.201 1.00 0.00 C ATOM 0 H VAL A 40 8.058 -0.480 4.004 1.00 0.00 H new ATOM 0 HA VAL A 40 10.536 0.297 3.044 1.00 0.00 H new ATOM 0 HB VAL A 40 11.079 0.632 5.440 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.331 2.339 5.802 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.943 2.355 4.130 1.00 0.00 H new ATOM 0 HG13 VAL A 40 8.365 1.616 4.493 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.303 0.244 7.111 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.335 -0.596 5.876 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.894 -1.277 6.399 1.00 0.00 H new ATOM 556 N GLN A 41 10.637 -2.598 4.595 1.00 0.00 N ATOM 557 CA GLN A 41 11.437 -3.798 4.770 1.00 0.00 C ATOM 558 C GLN A 41 12.710 -3.477 5.557 1.00 0.00 C ATOM 559 O GLN A 41 13.780 -3.312 4.974 1.00 0.00 O ATOM 560 CB GLN A 41 11.774 -4.434 3.420 1.00 0.00 C ATOM 561 CG GLN A 41 10.535 -5.077 2.793 1.00 0.00 C ATOM 562 CD GLN A 41 10.927 -6.209 1.841 1.00 0.00 C ATOM 563 OE1 GLN A 41 12.088 -6.551 1.687 1.00 0.00 O ATOM 564 NE2 GLN A 41 9.896 -6.769 1.214 1.00 0.00 N ATOM 0 H GLN A 41 9.719 -2.629 5.039 1.00 0.00 H new ATOM 0 HA GLN A 41 10.853 -4.521 5.340 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.175 -3.676 2.747 1.00 0.00 H new ATOM 0 HB3 GLN A 41 12.551 -5.187 3.552 1.00 0.00 H new ATOM 0 HG2 GLN A 41 9.886 -5.465 3.578 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.964 -4.323 2.251 1.00 0.00 H new ATOM 0 HE21 GLN A 41 8.949 -6.433 1.390 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.053 -7.534 0.558 1.00 0.00 H new ATOM 573 N ARG A 42 12.551 -3.397 6.870 1.00 0.00 N ATOM 574 CA ARG A 42 13.673 -3.099 7.743 1.00 0.00 C ATOM 575 C ARG A 42 13.475 -3.761 9.108 1.00 0.00 C ATOM 576 O ARG A 42 14.313 -4.546 9.549 1.00 0.00 O ATOM 577 CB ARG A 42 13.836 -1.590 7.935 1.00 0.00 C ATOM 578 CG ARG A 42 15.247 -1.138 7.553 1.00 0.00 C ATOM 579 CD ARG A 42 16.152 -1.066 8.785 1.00 0.00 C ATOM 580 NE ARG A 42 16.969 -2.296 8.885 1.00 0.00 N ATOM 581 CZ ARG A 42 17.933 -2.486 9.796 1.00 0.00 C ATOM 582 NH1 ARG A 42 18.205 -1.528 10.692 1.00 0.00 N ATOM 583 NH2 ARG A 42 18.623 -3.634 9.812 1.00 0.00 N ATOM 0 H ARG A 42 11.662 -3.533 7.350 1.00 0.00 H new ATOM 0 HA ARG A 42 14.573 -3.493 7.271 1.00 0.00 H new ATOM 0 HB2 ARG A 42 13.103 -1.061 7.326 1.00 0.00 H new ATOM 0 HB3 ARG A 42 13.635 -1.328 8.974 1.00 0.00 H new ATOM 0 HG2 ARG A 42 15.671 -1.831 6.826 1.00 0.00 H new ATOM 0 HG3 ARG A 42 15.202 -0.161 7.073 1.00 0.00 H new ATOM 0 HD2 ARG A 42 16.801 -0.193 8.719 1.00 0.00 H new ATOM 0 HD3 ARG A 42 15.547 -0.947 9.684 1.00 0.00 H new ATOM 0 HE ARG A 42 16.787 -3.046 8.218 1.00 0.00 H new ATOM 0 HH11 ARG A 42 17.678 -0.655 10.680 1.00 0.00 H new ATOM 0 HH12 ARG A 42 18.939 -1.672 11.386 1.00 0.00 H new ATOM 0 HH21 ARG A 42 18.415 -4.364 9.131 1.00 0.00 H new ATOM 0 HH22 ARG A 42 19.357 -3.778 10.506 1.00 0.00 H new ATOM 597 N ALA A 43 12.361 -3.421 9.739 1.00 0.00 N ATOM 598 CA ALA A 43 12.041 -3.972 11.045 1.00 0.00 C ATOM 599 C ALA A 43 12.799 -3.193 12.122 1.00 0.00 C ATOM 600 O ALA A 43 14.000 -2.959 11.994 1.00 0.00 O ATOM 601 CB ALA A 43 12.374 -5.466 11.063 1.00 0.00 C ATOM 0 H ALA A 43 11.668 -2.770 9.370 1.00 0.00 H new ATOM 0 HA ALA A 43 10.976 -3.872 11.254 1.00 0.00 H new ATOM 0 HB1 ALA A 43 12.134 -5.880 12.042 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.789 -5.978 10.299 1.00 0.00 H new ATOM 0 HB3 ALA A 43 13.436 -5.605 10.860 1.00 0.00 H new ATOM 607 N HIS A 44 12.066 -2.814 13.158 1.00 0.00 N ATOM 608 CA HIS A 44 12.654 -2.066 14.257 1.00 0.00 C ATOM 609 C HIS A 44 13.206 -0.738 13.736 1.00 0.00 C ATOM 610 O HIS A 44 14.395 -0.458 13.876 1.00 0.00 O ATOM 611 CB HIS A 44 13.710 -2.904 14.980 1.00 0.00 C ATOM 612 CG HIS A 44 13.144 -3.837 16.025 1.00 0.00 C ATOM 613 ND1 HIS A 44 13.620 -3.886 17.323 1.00 0.00 N ATOM 614 CD2 HIS A 44 12.138 -4.754 15.949 1.00 0.00 C ATOM 615 CE1 HIS A 44 12.925 -4.796 17.989 1.00 0.00 C ATOM 616 NE2 HIS A 44 12.007 -5.333 17.136 1.00 0.00 N ATOM 0 H HIS A 44 11.070 -3.011 13.260 1.00 0.00 H new ATOM 0 HA HIS A 44 11.887 -1.836 14.997 1.00 0.00 H new ATOM 0 HB2 HIS A 44 14.260 -3.490 14.244 1.00 0.00 H new ATOM 0 HB3 HIS A 44 14.427 -2.235 15.455 1.00 0.00 H new ATOM 0 HD2 HIS A 44 11.548 -4.972 15.071 1.00 0.00 H new ATOM 0 HE1 HIS A 44 13.062 -5.065 19.026 1.00 0.00 H new ATOM 0 HE2 HIS A 44 11.331 -6.060 17.371 1.00 0.00 H new ATOM 624 N ALA A 45 12.315 0.046 13.145 1.00 0.00 N ATOM 625 CA ALA A 45 12.698 1.338 12.603 1.00 0.00 C ATOM 626 C ALA A 45 12.144 2.447 13.500 1.00 0.00 C ATOM 627 O ALA A 45 11.387 3.301 13.041 1.00 0.00 O ATOM 628 CB ALA A 45 12.203 1.453 11.160 1.00 0.00 C ATOM 0 H ALA A 45 11.329 -0.189 13.030 1.00 0.00 H new ATOM 0 HA ALA A 45 13.783 1.440 12.585 1.00 0.00 H new ATOM 0 HB1 ALA A 45 12.490 2.422 10.753 1.00 0.00 H new ATOM 0 HB2 ALA A 45 12.648 0.661 10.558 1.00 0.00 H new ATOM 0 HB3 ALA A 45 11.117 1.358 11.139 1.00 0.00 H new ATOM 634 N LEU A 46 12.544 2.399 14.762 1.00 0.00 N ATOM 635 CA LEU A 46 12.097 3.389 15.727 1.00 0.00 C ATOM 636 C LEU A 46 12.799 4.720 15.448 1.00 0.00 C ATOM 637 O LEU A 46 14.027 4.786 15.429 1.00 0.00 O ATOM 638 CB LEU A 46 12.298 2.875 17.154 1.00 0.00 C ATOM 639 CG LEU A 46 11.026 2.514 17.922 1.00 0.00 C ATOM 640 CD1 LEU A 46 10.492 3.720 18.697 1.00 0.00 C ATOM 641 CD2 LEU A 46 9.971 1.920 16.987 1.00 0.00 C ATOM 0 H LEU A 46 13.173 1.690 15.139 1.00 0.00 H new ATOM 0 HA LEU A 46 11.026 3.565 15.624 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.937 1.993 17.115 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.837 3.635 17.720 1.00 0.00 H new ATOM 0 HG LEU A 46 11.276 1.746 18.654 1.00 0.00 H new ATOM 0 HD11 LEU A 46 9.587 3.436 19.234 1.00 0.00 H new ATOM 0 HD12 LEU A 46 11.245 4.058 19.409 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.262 4.527 18.001 1.00 0.00 H new ATOM 0 HD21 LEU A 46 9.077 1.672 17.558 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.718 2.647 16.215 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.365 1.017 16.520 1.00 0.00 H new ATOM 653 N SER A 47 11.988 5.746 15.238 1.00 0.00 N ATOM 654 CA SER A 47 12.515 7.072 14.961 1.00 0.00 C ATOM 655 C SER A 47 13.573 6.994 13.858 1.00 0.00 C ATOM 656 O SER A 47 14.732 6.679 14.126 1.00 0.00 O ATOM 657 CB SER A 47 13.108 7.703 16.222 1.00 0.00 C ATOM 658 OG SER A 47 12.573 9.000 16.472 1.00 0.00 O ATOM 0 H SER A 47 10.970 5.686 15.254 1.00 0.00 H new ATOM 0 HA SER A 47 11.693 7.704 14.624 1.00 0.00 H new ATOM 0 HB2 SER A 47 12.910 7.058 17.078 1.00 0.00 H new ATOM 0 HB3 SER A 47 14.191 7.771 16.118 1.00 0.00 H new ATOM 0 HG SER A 47 12.975 9.368 17.286 1.00 0.00 H new ATOM 664 N ASP A 48 13.137 7.286 12.642 1.00 0.00 N ATOM 665 CA ASP A 48 14.032 7.253 11.498 1.00 0.00 C ATOM 666 C ASP A 48 13.234 7.534 10.223 1.00 0.00 C ATOM 667 O ASP A 48 13.239 8.656 9.718 1.00 0.00 O ATOM 668 CB ASP A 48 14.688 5.879 11.351 1.00 0.00 C ATOM 669 CG ASP A 48 16.050 5.736 12.033 1.00 0.00 C ATOM 670 OD1 ASP A 48 16.918 6.590 11.751 1.00 0.00 O ATOM 671 OD2 ASP A 48 16.192 4.777 12.821 1.00 0.00 O ATOM 0 H ASP A 48 12.175 7.547 12.424 1.00 0.00 H new ATOM 0 HA ASP A 48 14.804 8.007 11.653 1.00 0.00 H new ATOM 0 HB2 ASP A 48 14.014 5.126 11.758 1.00 0.00 H new ATOM 0 HB3 ASP A 48 14.805 5.661 10.290 1.00 0.00 H new ATOM 676 N GLU A 49 12.567 6.497 9.739 1.00 0.00 N ATOM 677 CA GLU A 49 11.765 6.618 8.534 1.00 0.00 C ATOM 678 C GLU A 49 10.374 6.021 8.758 1.00 0.00 C ATOM 679 O GLU A 49 9.975 5.090 8.062 1.00 0.00 O ATOM 680 CB GLU A 49 12.461 5.954 7.344 1.00 0.00 C ATOM 681 CG GLU A 49 13.551 6.861 6.770 1.00 0.00 C ATOM 682 CD GLU A 49 14.352 6.137 5.685 1.00 0.00 C ATOM 683 OE1 GLU A 49 15.267 5.377 6.068 1.00 0.00 O ATOM 684 OE2 GLU A 49 14.030 6.361 4.498 1.00 0.00 O ATOM 0 H GLU A 49 12.566 5.568 10.160 1.00 0.00 H new ATOM 0 HA GLU A 49 11.651 7.677 8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.899 5.006 7.657 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.728 5.726 6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 49 13.098 7.761 6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.220 7.181 7.568 1.00 0.00 H new ATOM 691 N THR A 50 9.675 6.583 9.733 1.00 0.00 N ATOM 692 CA THR A 50 8.337 6.119 10.058 1.00 0.00 C ATOM 693 C THR A 50 7.556 5.806 8.780 1.00 0.00 C ATOM 694 O THR A 50 7.153 4.665 8.558 1.00 0.00 O ATOM 695 CB THR A 50 7.668 7.179 10.935 1.00 0.00 C ATOM 696 OG1 THR A 50 8.291 7.021 12.207 1.00 0.00 O ATOM 697 CG2 THR A 50 6.193 6.873 11.202 1.00 0.00 C ATOM 0 H THR A 50 10.010 7.356 10.309 1.00 0.00 H new ATOM 0 HA THR A 50 8.368 5.185 10.619 1.00 0.00 H new ATOM 0 HB THR A 50 7.755 8.154 10.455 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.917 7.672 12.837 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.767 7.656 11.829 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.653 6.831 10.256 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.107 5.913 11.712 1.00 0.00 H new ATOM 705 N TRP A 51 7.365 6.840 7.974 1.00 0.00 N ATOM 706 CA TRP A 51 6.639 6.690 6.724 1.00 0.00 C ATOM 707 C TRP A 51 5.189 6.336 7.059 1.00 0.00 C ATOM 708 O TRP A 51 4.893 5.904 8.172 1.00 0.00 O ATOM 709 CB TRP A 51 7.313 5.657 5.819 1.00 0.00 C ATOM 710 CG TRP A 51 8.527 6.195 5.058 1.00 0.00 C ATOM 711 CD1 TRP A 51 9.624 6.779 5.560 1.00 0.00 C ATOM 712 CD2 TRP A 51 8.724 6.173 3.628 1.00 0.00 C ATOM 713 NE1 TRP A 51 10.509 7.134 4.563 1.00 0.00 N ATOM 714 CE2 TRP A 51 9.944 6.754 3.351 1.00 0.00 C ATOM 715 CE3 TRP A 51 7.897 5.679 2.603 1.00 0.00 C ATOM 716 CZ2 TRP A 51 10.448 6.896 2.052 1.00 0.00 C ATOM 717 CZ3 TRP A 51 8.416 5.829 1.311 1.00 0.00 C ATOM 718 CH2 TRP A 51 9.642 6.411 1.015 1.00 0.00 C ATOM 0 H TRP A 51 7.700 7.785 8.162 1.00 0.00 H new ATOM 0 HA TRP A 51 6.648 7.622 6.159 1.00 0.00 H new ATOM 0 HB2 TRP A 51 7.625 4.806 6.425 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.582 5.286 5.101 1.00 0.00 H new ATOM 0 HD1 TRP A 51 9.794 6.950 6.613 1.00 0.00 H new ATOM 0 HE1 TRP A 51 11.412 7.591 4.691 1.00 0.00 H new ATOM 0 HE3 TRP A 51 6.938 5.221 2.797 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.407 7.355 1.861 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.821 5.466 0.486 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.972 6.489 -0.010 1.00 0.00 H new ATOM 729 N GLY A 52 4.323 6.531 6.075 1.00 0.00 N ATOM 730 CA GLY A 52 2.911 6.237 6.252 1.00 0.00 C ATOM 731 C GLY A 52 2.229 5.995 4.904 1.00 0.00 C ATOM 732 O GLY A 52 2.879 6.028 3.860 1.00 0.00 O ATOM 0 H GLY A 52 4.572 6.889 5.153 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.795 5.357 6.885 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.425 7.066 6.766 1.00 0.00 H new ATOM 736 N LEU A 53 0.927 5.758 4.970 1.00 0.00 N ATOM 737 CA LEU A 53 0.150 5.511 3.768 1.00 0.00 C ATOM 738 C LEU A 53 -0.698 6.744 3.451 1.00 0.00 C ATOM 739 O LEU A 53 -1.070 7.494 4.352 1.00 0.00 O ATOM 740 CB LEU A 53 -0.667 4.225 3.912 1.00 0.00 C ATOM 741 CG LEU A 53 -0.041 2.962 3.316 1.00 0.00 C ATOM 742 CD1 LEU A 53 -1.033 1.797 3.334 1.00 0.00 C ATOM 743 CD2 LEU A 53 0.502 3.231 1.911 1.00 0.00 C ATOM 0 H LEU A 53 0.391 5.732 5.837 1.00 0.00 H new ATOM 0 HA LEU A 53 0.810 5.349 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.849 4.051 4.972 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.639 4.381 3.443 1.00 0.00 H new ATOM 0 HG LEU A 53 0.805 2.673 3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.563 0.912 2.905 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.330 1.588 4.362 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -1.914 2.060 2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.942 2.318 1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.311 3.557 1.263 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.263 4.010 1.958 1.00 0.00 H new ATOM 755 N VAL A 54 -0.977 6.917 2.167 1.00 0.00 N ATOM 756 CA VAL A 54 -1.774 8.047 1.720 1.00 0.00 C ATOM 757 C VAL A 54 -2.787 7.571 0.677 1.00 0.00 C ATOM 758 O VAL A 54 -2.408 7.158 -0.418 1.00 0.00 O ATOM 759 CB VAL A 54 -0.860 9.159 1.202 1.00 0.00 C ATOM 760 CG1 VAL A 54 -1.676 10.298 0.588 1.00 0.00 C ATOM 761 CG2 VAL A 54 0.057 9.677 2.311 1.00 0.00 C ATOM 0 H VAL A 54 -0.665 6.294 1.422 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.338 8.469 2.552 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.231 8.737 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -1.002 11.075 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -2.266 9.915 -0.244 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.342 10.716 1.343 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.696 10.467 1.916 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.547 10.074 3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.677 8.860 2.682 1.00 0.00 H new ATOM 771 N GLU A 55 -4.055 7.644 1.054 1.00 0.00 N ATOM 772 CA GLU A 55 -5.125 7.225 0.165 1.00 0.00 C ATOM 773 C GLU A 55 -5.315 8.249 -0.956 1.00 0.00 C ATOM 774 O GLU A 55 -5.363 9.452 -0.702 1.00 0.00 O ATOM 775 CB GLU A 55 -6.428 7.011 0.939 1.00 0.00 C ATOM 776 CG GLU A 55 -7.024 8.347 1.390 1.00 0.00 C ATOM 777 CD GLU A 55 -7.810 8.184 2.692 1.00 0.00 C ATOM 778 OE1 GLU A 55 -7.175 8.327 3.760 1.00 0.00 O ATOM 779 OE2 GLU A 55 -9.027 7.921 2.592 1.00 0.00 O ATOM 0 H GLU A 55 -4.365 7.987 1.963 1.00 0.00 H new ATOM 0 HA GLU A 55 -4.846 6.272 -0.284 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.145 6.482 0.311 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.240 6.381 1.808 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.226 9.076 1.531 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.679 8.738 0.612 1.00 0.00 H new ATOM 786 N CYS A 56 -5.418 7.735 -2.172 1.00 0.00 N ATOM 787 CA CYS A 56 -5.601 8.589 -3.333 1.00 0.00 C ATOM 788 C CYS A 56 -6.981 8.301 -3.928 1.00 0.00 C ATOM 789 O CYS A 56 -7.424 7.154 -3.951 1.00 0.00 O ATOM 790 CB CYS A 56 -4.485 8.394 -4.361 1.00 0.00 C ATOM 791 SG CYS A 56 -3.266 9.753 -4.226 1.00 0.00 S ATOM 0 H CYS A 56 -5.378 6.737 -2.379 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.547 9.635 -3.030 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.993 7.435 -4.198 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.905 8.370 -5.366 1.00 0.00 H new ATOM 0 HG CYS A 56 -2.321 9.577 -5.101 1.00 0.00 H new ATOM 797 N HIS A 57 -7.622 9.363 -4.395 1.00 0.00 N ATOM 798 CA HIS A 57 -8.942 9.238 -4.989 1.00 0.00 C ATOM 799 C HIS A 57 -8.874 9.602 -6.473 1.00 0.00 C ATOM 800 O HIS A 57 -8.976 10.774 -6.834 1.00 0.00 O ATOM 801 CB HIS A 57 -9.965 10.077 -4.219 1.00 0.00 C ATOM 802 CG HIS A 57 -10.274 9.553 -2.837 1.00 0.00 C ATOM 803 ND1 HIS A 57 -10.493 8.212 -2.576 1.00 0.00 N ATOM 804 CD2 HIS A 57 -10.396 10.203 -1.644 1.00 0.00 C ATOM 805 CE1 HIS A 57 -10.736 8.072 -1.281 1.00 0.00 C ATOM 806 NE2 HIS A 57 -10.676 9.308 -0.705 1.00 0.00 N ATOM 0 H HIS A 57 -7.252 10.313 -4.374 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.280 8.204 -4.920 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.592 11.098 -4.134 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -10.890 10.122 -4.794 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -10.284 11.266 -1.490 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -10.945 7.143 -0.771 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -10.822 9.510 0.284 1.00 0.00 H new ATOM 814 N PRO A 58 -8.698 8.549 -7.316 1.00 0.00 N ATOM 815 CA PRO A 58 -8.614 8.746 -8.753 1.00 0.00 C ATOM 816 C PRO A 58 -9.994 9.035 -9.347 1.00 0.00 C ATOM 817 O PRO A 58 -10.440 8.339 -10.258 1.00 0.00 O ATOM 818 CB PRO A 58 -7.992 7.467 -9.290 1.00 0.00 C ATOM 819 CG PRO A 58 -8.178 6.424 -8.200 1.00 0.00 C ATOM 820 CD PRO A 58 -8.573 7.148 -6.924 1.00 0.00 C ATOM 0 HA PRO A 58 -8.009 9.611 -9.025 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -8.477 7.156 -10.215 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.936 7.611 -9.516 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.947 5.707 -8.486 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.257 5.861 -8.050 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.511 6.763 -6.525 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -7.820 7.020 -6.147 1.00 0.00 H new ATOM 828 N HIS A 59 -10.632 10.063 -8.808 1.00 0.00 N ATOM 829 CA HIS A 59 -11.952 10.453 -9.274 1.00 0.00 C ATOM 830 C HIS A 59 -12.319 11.819 -8.691 1.00 0.00 C ATOM 831 O HIS A 59 -12.876 12.666 -9.388 1.00 0.00 O ATOM 832 CB HIS A 59 -12.984 9.372 -8.947 1.00 0.00 C ATOM 833 CG HIS A 59 -13.022 8.979 -7.490 1.00 0.00 C ATOM 834 ND1 HIS A 59 -11.882 8.681 -6.764 1.00 0.00 N ATOM 835 CD2 HIS A 59 -14.073 8.840 -6.631 1.00 0.00 C ATOM 836 CE1 HIS A 59 -12.243 8.376 -5.526 1.00 0.00 C ATOM 837 NE2 HIS A 59 -13.601 8.475 -5.446 1.00 0.00 N ATOM 0 H HIS A 59 -10.259 10.638 -8.053 1.00 0.00 H new ATOM 0 HA HIS A 59 -11.945 10.550 -10.360 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -13.972 9.726 -9.243 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -12.770 8.487 -9.546 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.113 9.000 -6.874 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -11.578 8.098 -4.721 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -14.161 8.298 -4.612 1.00 0.00 H new ATOM 845 N LEU A 60 -11.993 11.991 -7.419 1.00 0.00 N ATOM 846 CA LEU A 60 -12.281 13.240 -6.734 1.00 0.00 C ATOM 847 C LEU A 60 -11.000 14.069 -6.634 1.00 0.00 C ATOM 848 O LEU A 60 -11.023 15.198 -6.144 1.00 0.00 O ATOM 849 CB LEU A 60 -12.946 12.969 -5.383 1.00 0.00 C ATOM 850 CG LEU A 60 -13.704 11.646 -5.262 1.00 0.00 C ATOM 851 CD1 LEU A 60 -14.338 11.501 -3.877 1.00 0.00 C ATOM 852 CD2 LEU A 60 -14.736 11.500 -6.382 1.00 0.00 C ATOM 0 H LEU A 60 -11.532 11.286 -6.844 1.00 0.00 H new ATOM 0 HA LEU A 60 -12.999 13.830 -7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.178 12.997 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.640 13.783 -5.172 1.00 0.00 H new ATOM 0 HG LEU A 60 -12.988 10.832 -5.375 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -14.871 10.552 -3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.559 11.528 -3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -15.037 12.320 -3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -15.260 10.551 -6.272 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.453 12.319 -6.325 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -14.231 11.526 -7.348 1.00 0.00 H new ATOM 864 N ALA A 61 -9.912 13.478 -7.105 1.00 0.00 N ATOM 865 CA ALA A 61 -8.623 14.149 -7.075 1.00 0.00 C ATOM 866 C ALA A 61 -8.338 14.633 -5.651 1.00 0.00 C ATOM 867 O ALA A 61 -7.989 15.794 -5.445 1.00 0.00 O ATOM 868 CB ALA A 61 -8.618 15.292 -8.091 1.00 0.00 C ATOM 0 H ALA A 61 -9.896 12.542 -7.510 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.826 13.461 -7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -7.651 15.795 -8.068 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -8.796 14.892 -9.089 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -9.404 16.005 -7.841 1.00 0.00 H new ATOM 874 N LEU A 62 -8.498 13.718 -4.707 1.00 0.00 N ATOM 875 CA LEU A 62 -8.263 14.037 -3.309 1.00 0.00 C ATOM 876 C LEU A 62 -7.068 13.228 -2.800 1.00 0.00 C ATOM 877 O LEU A 62 -6.712 12.205 -3.384 1.00 0.00 O ATOM 878 CB LEU A 62 -9.539 13.830 -2.490 1.00 0.00 C ATOM 879 CG LEU A 62 -10.032 15.044 -1.700 1.00 0.00 C ATOM 880 CD1 LEU A 62 -10.515 16.151 -2.639 1.00 0.00 C ATOM 881 CD2 LEU A 62 -11.107 14.640 -0.689 1.00 0.00 C ATOM 0 H LEU A 62 -8.787 12.756 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 62 -8.007 15.091 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -10.334 13.514 -3.166 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -9.370 13.011 -1.791 1.00 0.00 H new ATOM 0 HG LEU A 62 -9.192 15.447 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -10.860 17.002 -2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -9.694 16.464 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -11.335 15.777 -3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.440 15.521 -0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -11.953 14.198 -1.215 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -10.694 13.913 0.010 1.00 0.00 H new ATOM 893 N GLU A 63 -6.481 13.716 -1.717 1.00 0.00 N ATOM 894 CA GLU A 63 -5.334 13.051 -1.123 1.00 0.00 C ATOM 895 C GLU A 63 -5.371 13.188 0.401 1.00 0.00 C ATOM 896 O GLU A 63 -5.128 14.268 0.937 1.00 0.00 O ATOM 897 CB GLU A 63 -4.025 13.604 -1.691 1.00 0.00 C ATOM 898 CG GLU A 63 -3.802 13.120 -3.125 1.00 0.00 C ATOM 899 CD GLU A 63 -4.079 14.239 -4.131 1.00 0.00 C ATOM 900 OE1 GLU A 63 -3.779 15.402 -3.783 1.00 0.00 O ATOM 901 OE2 GLU A 63 -4.584 13.907 -5.225 1.00 0.00 O ATOM 0 H GLU A 63 -6.779 14.564 -1.235 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.383 11.992 -1.374 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.047 14.694 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.191 13.290 -1.064 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.776 12.770 -3.239 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.454 12.271 -3.331 1.00 0.00 H new ATOM 908 N ARG A 64 -5.678 12.077 1.055 1.00 0.00 N ATOM 909 CA ARG A 64 -5.750 12.060 2.506 1.00 0.00 C ATOM 910 C ARG A 64 -4.734 11.068 3.076 1.00 0.00 C ATOM 911 O ARG A 64 -4.499 10.011 2.493 1.00 0.00 O ATOM 912 CB ARG A 64 -7.152 11.674 2.983 1.00 0.00 C ATOM 913 CG ARG A 64 -7.246 11.728 4.509 1.00 0.00 C ATOM 914 CD ARG A 64 -8.233 12.808 4.959 1.00 0.00 C ATOM 915 NE ARG A 64 -9.565 12.209 5.196 1.00 0.00 N ATOM 916 CZ ARG A 64 -10.535 12.794 5.911 1.00 0.00 C ATOM 917 NH1 ARG A 64 -10.328 13.997 6.464 1.00 0.00 N ATOM 918 NH2 ARG A 64 -11.713 12.176 6.074 1.00 0.00 N ATOM 0 H ARG A 64 -5.880 11.183 0.607 1.00 0.00 H new ATOM 0 HA ARG A 64 -5.521 13.065 2.861 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.888 12.349 2.546 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -7.395 10.670 2.635 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -7.563 10.758 4.892 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.262 11.931 4.931 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -7.872 13.285 5.870 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.305 13.586 4.199 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.757 11.293 4.790 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -9.432 14.468 6.341 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.067 14.442 7.008 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -11.871 11.260 5.654 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.452 12.621 6.618 1.00 0.00 H new ATOM 932 N GLY A 65 -4.158 11.445 4.208 1.00 0.00 N ATOM 933 CA GLY A 65 -3.172 10.602 4.863 1.00 0.00 C ATOM 934 C GLY A 65 -3.753 9.959 6.124 1.00 0.00 C ATOM 935 O GLY A 65 -4.468 10.609 6.885 1.00 0.00 O ATOM 0 H GLY A 65 -4.355 12.323 4.688 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -2.838 9.825 4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -2.296 11.196 5.124 1.00 0.00 H new ATOM 939 N LEU A 66 -3.423 8.688 6.306 1.00 0.00 N ATOM 940 CA LEU A 66 -3.903 7.949 7.462 1.00 0.00 C ATOM 941 C LEU A 66 -2.714 7.559 8.342 1.00 0.00 C ATOM 942 O LEU A 66 -1.607 7.359 7.843 1.00 0.00 O ATOM 943 CB LEU A 66 -4.758 6.760 7.020 1.00 0.00 C ATOM 944 CG LEU A 66 -4.092 5.778 6.054 1.00 0.00 C ATOM 945 CD1 LEU A 66 -4.606 4.354 6.278 1.00 0.00 C ATOM 946 CD2 LEU A 66 -4.271 6.230 4.603 1.00 0.00 C ATOM 0 H LEU A 66 -2.830 8.152 5.673 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.558 8.574 8.069 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.068 6.211 7.909 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.664 7.144 6.550 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.022 5.770 6.259 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.117 3.676 5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -4.385 4.044 7.299 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -5.684 4.326 6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.788 5.515 3.937 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.334 6.285 4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.818 7.213 4.470 1.00 0.00 H new ATOM 958 N GLU A 67 -2.982 7.462 9.636 1.00 0.00 N ATOM 959 CA GLU A 67 -1.948 7.099 10.589 1.00 0.00 C ATOM 960 C GLU A 67 -1.637 5.604 10.492 1.00 0.00 C ATOM 961 O GLU A 67 -2.151 4.915 9.612 1.00 0.00 O ATOM 962 CB GLU A 67 -2.356 7.482 12.013 1.00 0.00 C ATOM 963 CG GLU A 67 -1.756 8.833 12.410 1.00 0.00 C ATOM 964 CD GLU A 67 -1.065 8.746 13.772 1.00 0.00 C ATOM 965 OE1 GLU A 67 0.081 8.249 13.796 1.00 0.00 O ATOM 966 OE2 GLU A 67 -1.698 9.180 14.759 1.00 0.00 O ATOM 0 H GLU A 67 -3.901 7.629 10.046 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.044 7.655 10.343 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.443 7.528 12.084 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.023 6.713 12.710 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.039 9.153 11.654 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -2.541 9.588 12.444 1.00 0.00 H new ATOM 973 N ASP A 68 -0.798 5.145 11.409 1.00 0.00 N ATOM 974 CA ASP A 68 -0.413 3.745 11.438 1.00 0.00 C ATOM 975 C ASP A 68 -1.584 2.909 11.957 1.00 0.00 C ATOM 976 O ASP A 68 -2.010 1.957 11.304 1.00 0.00 O ATOM 977 CB ASP A 68 0.779 3.520 12.371 1.00 0.00 C ATOM 978 CG ASP A 68 0.879 4.503 13.540 1.00 0.00 C ATOM 979 OD1 ASP A 68 1.250 5.666 13.272 1.00 0.00 O ATOM 980 OD2 ASP A 68 0.583 4.068 14.674 1.00 0.00 O ATOM 0 H ASP A 68 -0.374 5.719 12.138 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.138 3.450 10.425 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.722 2.508 12.771 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.696 3.581 11.785 1.00 0.00 H new ATOM 985 N HIS A 69 -2.071 3.294 13.128 1.00 0.00 N ATOM 986 CA HIS A 69 -3.185 2.591 13.742 1.00 0.00 C ATOM 987 C HIS A 69 -4.296 2.389 12.710 1.00 0.00 C ATOM 988 O HIS A 69 -4.996 1.378 12.737 1.00 0.00 O ATOM 989 CB HIS A 69 -3.666 3.326 14.995 1.00 0.00 C ATOM 990 CG HIS A 69 -4.456 4.581 14.706 1.00 0.00 C ATOM 991 ND1 HIS A 69 -3.870 5.831 14.615 1.00 0.00 N ATOM 992 CD2 HIS A 69 -5.790 4.764 14.488 1.00 0.00 C ATOM 993 CE1 HIS A 69 -4.817 6.719 14.354 1.00 0.00 C ATOM 994 NE2 HIS A 69 -6.007 6.056 14.276 1.00 0.00 N ATOM 0 H HIS A 69 -1.715 4.083 13.667 1.00 0.00 H new ATOM 0 HA HIS A 69 -2.860 1.604 14.072 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -4.282 2.649 15.587 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -2.801 3.586 15.606 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -6.542 3.989 14.488 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -4.673 7.782 14.225 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -6.914 6.483 14.086 1.00 0.00 H new ATOM 1002 N GLU A 70 -4.424 3.367 11.826 1.00 0.00 N ATOM 1003 CA GLU A 70 -5.438 3.308 10.787 1.00 0.00 C ATOM 1004 C GLU A 70 -5.286 2.025 9.968 1.00 0.00 C ATOM 1005 O GLU A 70 -4.208 1.740 9.447 1.00 0.00 O ATOM 1006 CB GLU A 70 -5.372 4.544 9.887 1.00 0.00 C ATOM 1007 CG GLU A 70 -5.928 5.776 10.605 1.00 0.00 C ATOM 1008 CD GLU A 70 -7.458 5.761 10.615 1.00 0.00 C ATOM 1009 OE1 GLU A 70 -8.012 4.778 11.151 1.00 0.00 O ATOM 1010 OE2 GLU A 70 -8.038 6.733 10.085 1.00 0.00 O ATOM 0 H GLU A 70 -3.843 4.205 11.808 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.418 3.297 11.263 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -4.339 4.727 9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.939 4.364 8.974 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.554 5.804 11.629 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -5.573 6.680 10.111 1.00 0.00 H new ATOM 1017 N SER A 71 -6.381 1.284 9.879 1.00 0.00 N ATOM 1018 CA SER A 71 -6.383 0.038 9.133 1.00 0.00 C ATOM 1019 C SER A 71 -6.620 0.318 7.647 1.00 0.00 C ATOM 1020 O SER A 71 -7.598 0.968 7.283 1.00 0.00 O ATOM 1021 CB SER A 71 -7.447 -0.923 9.668 1.00 0.00 C ATOM 1022 OG SER A 71 -6.926 -2.233 9.878 1.00 0.00 O ATOM 0 H SER A 71 -7.273 1.523 10.312 1.00 0.00 H new ATOM 0 HA SER A 71 -5.409 -0.436 9.256 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.846 -0.537 10.606 1.00 0.00 H new ATOM 0 HB3 SER A 71 -8.278 -0.972 8.964 1.00 0.00 H new ATOM 0 HG SER A 71 -6.113 -2.351 9.343 1.00 0.00 H new ATOM 1028 N VAL A 72 -5.707 -0.187 6.830 1.00 0.00 N ATOM 1029 CA VAL A 72 -5.805 0.000 5.392 1.00 0.00 C ATOM 1030 C VAL A 72 -7.130 -0.580 4.895 1.00 0.00 C ATOM 1031 O VAL A 72 -7.769 -0.010 4.012 1.00 0.00 O ATOM 1032 CB VAL A 72 -4.586 -0.614 4.701 1.00 0.00 C ATOM 1033 CG1 VAL A 72 -3.385 0.331 4.765 1.00 0.00 C ATOM 1034 CG2 VAL A 72 -4.244 -1.978 5.303 1.00 0.00 C ATOM 0 H VAL A 72 -4.896 -0.725 7.136 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.803 1.061 5.144 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.837 -0.765 3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -2.532 -0.130 4.267 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -3.633 1.269 4.267 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.133 0.529 5.807 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.374 -2.393 4.794 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.023 -1.862 6.364 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.091 -2.653 5.181 1.00 0.00 H new ATOM 1044 N VAL A 73 -7.505 -1.706 5.484 1.00 0.00 N ATOM 1045 CA VAL A 73 -8.743 -2.369 5.112 1.00 0.00 C ATOM 1046 C VAL A 73 -9.929 -1.514 5.561 1.00 0.00 C ATOM 1047 O VAL A 73 -10.718 -1.058 4.735 1.00 0.00 O ATOM 1048 CB VAL A 73 -8.773 -3.785 5.693 1.00 0.00 C ATOM 1049 CG1 VAL A 73 -10.088 -4.489 5.352 1.00 0.00 C ATOM 1050 CG2 VAL A 73 -7.572 -4.601 5.209 1.00 0.00 C ATOM 0 H VAL A 73 -6.973 -2.176 6.216 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.810 -2.474 4.029 1.00 0.00 H new ATOM 0 HB VAL A 73 -8.708 -3.704 6.778 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.084 -5.493 5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.922 -3.923 5.767 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -10.196 -4.553 4.269 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -7.617 -5.603 5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -7.593 -4.669 4.121 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -6.650 -4.113 5.524 1.00 0.00 H new ATOM 1060 N GLU A 74 -10.019 -1.322 6.869 1.00 0.00 N ATOM 1061 CA GLU A 74 -11.096 -0.530 7.437 1.00 0.00 C ATOM 1062 C GLU A 74 -11.233 0.796 6.686 1.00 0.00 C ATOM 1063 O GLU A 74 -12.343 1.283 6.478 1.00 0.00 O ATOM 1064 CB GLU A 74 -10.872 -0.292 8.932 1.00 0.00 C ATOM 1065 CG GLU A 74 -10.917 -1.609 9.710 1.00 0.00 C ATOM 1066 CD GLU A 74 -11.931 -1.535 10.853 1.00 0.00 C ATOM 1067 OE1 GLU A 74 -11.574 -0.936 11.891 1.00 0.00 O ATOM 1068 OE2 GLU A 74 -13.040 -2.080 10.665 1.00 0.00 O ATOM 0 H GLU A 74 -9.363 -1.702 7.552 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.027 -1.086 7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.908 0.193 9.086 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.635 0.386 9.314 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.181 -2.425 9.037 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.928 -1.833 10.110 1.00 0.00 H new ATOM 1075 N VAL A 75 -10.090 1.341 6.298 1.00 0.00 N ATOM 1076 CA VAL A 75 -10.069 2.600 5.574 1.00 0.00 C ATOM 1077 C VAL A 75 -10.385 2.341 4.100 1.00 0.00 C ATOM 1078 O VAL A 75 -11.027 3.162 3.446 1.00 0.00 O ATOM 1079 CB VAL A 75 -8.725 3.302 5.783 1.00 0.00 C ATOM 1080 CG1 VAL A 75 -8.659 4.608 4.988 1.00 0.00 C ATOM 1081 CG2 VAL A 75 -8.461 3.550 7.269 1.00 0.00 C ATOM 0 H VAL A 75 -9.171 0.933 6.471 1.00 0.00 H new ATOM 0 HA VAL A 75 -10.835 3.274 5.957 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.941 2.643 5.410 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.694 5.087 5.154 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.780 4.394 3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.456 5.275 5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.500 4.050 7.389 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.251 4.179 7.679 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.444 2.598 7.799 1.00 0.00 H new ATOM 1091 N GLN A 76 -9.920 1.197 3.620 1.00 0.00 N ATOM 1092 CA GLN A 76 -10.145 0.820 2.235 1.00 0.00 C ATOM 1093 C GLN A 76 -11.623 0.497 2.006 1.00 0.00 C ATOM 1094 O GLN A 76 -12.162 0.762 0.933 1.00 0.00 O ATOM 1095 CB GLN A 76 -9.258 -0.361 1.837 1.00 0.00 C ATOM 1096 CG GLN A 76 -9.852 -1.117 0.647 1.00 0.00 C ATOM 1097 CD GLN A 76 -8.752 -1.607 -0.296 1.00 0.00 C ATOM 1098 OE1 GLN A 76 -8.587 -2.927 -0.295 1.00 0.00 O flip ATOM 1099 NE2 GLN A 76 -8.096 -0.838 -0.980 1.00 0.00 N flip ATOM 0 H GLN A 76 -9.388 0.519 4.166 1.00 0.00 H new ATOM 0 HA GLN A 76 -9.875 1.664 1.601 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.261 -0.002 1.583 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -9.147 -1.038 2.684 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.434 -1.966 1.005 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.538 -0.467 0.104 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.274 0.165 -0.933 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.370 -1.199 -1.599 1.00 0.00 H new ATOM 1108 N ALA A 77 -12.237 -0.072 3.034 1.00 0.00 N ATOM 1109 CA ALA A 77 -13.642 -0.434 2.959 1.00 0.00 C ATOM 1110 C ALA A 77 -14.496 0.833 3.036 1.00 0.00 C ATOM 1111 O ALA A 77 -15.590 0.883 2.476 1.00 0.00 O ATOM 1112 CB ALA A 77 -13.973 -1.429 4.073 1.00 0.00 C ATOM 0 H ALA A 77 -11.787 -0.291 3.923 1.00 0.00 H new ATOM 0 HA ALA A 77 -13.862 -0.922 2.010 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.027 -1.701 4.017 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -13.361 -2.323 3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -13.767 -0.973 5.041 1.00 0.00 H new ATOM 1118 N ALA A 78 -13.964 1.825 3.733 1.00 0.00 N ATOM 1119 CA ALA A 78 -14.663 3.089 3.891 1.00 0.00 C ATOM 1120 C ALA A 78 -14.789 3.771 2.527 1.00 0.00 C ATOM 1121 O ALA A 78 -15.781 4.444 2.254 1.00 0.00 O ATOM 1122 CB ALA A 78 -13.925 3.958 4.911 1.00 0.00 C ATOM 0 H ALA A 78 -13.056 1.779 4.195 1.00 0.00 H new ATOM 0 HA ALA A 78 -15.671 2.924 4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -14.450 4.906 5.029 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -13.889 3.442 5.870 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -12.910 4.146 4.562 1.00 0.00 H new ATOM 1128 N TRP A 79 -13.767 3.573 1.706 1.00 0.00 N ATOM 1129 CA TRP A 79 -13.751 4.161 0.377 1.00 0.00 C ATOM 1130 C TRP A 79 -15.081 3.831 -0.302 1.00 0.00 C ATOM 1131 O TRP A 79 -15.693 2.804 -0.011 1.00 0.00 O ATOM 1132 CB TRP A 79 -12.537 3.679 -0.420 1.00 0.00 C ATOM 1133 CG TRP A 79 -11.195 4.140 0.151 1.00 0.00 C ATOM 1134 CD1 TRP A 79 -10.974 5.061 1.099 1.00 0.00 C ATOM 1135 CD2 TRP A 79 -9.888 3.660 -0.230 1.00 0.00 C ATOM 1136 NE1 TRP A 79 -9.626 5.210 1.355 1.00 0.00 N ATOM 1137 CE2 TRP A 79 -8.945 4.331 0.521 1.00 0.00 C ATOM 1138 CE3 TRP A 79 -9.515 2.692 -1.179 1.00 0.00 C ATOM 1139 CZ2 TRP A 79 -7.568 4.106 0.402 1.00 0.00 C ATOM 1140 CZ3 TRP A 79 -8.136 2.478 -1.286 1.00 0.00 C ATOM 1141 CH2 TRP A 79 -7.173 3.145 -0.536 1.00 0.00 C ATOM 0 H TRP A 79 -12.945 3.014 1.935 1.00 0.00 H new ATOM 0 HA TRP A 79 -13.650 5.245 0.435 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -12.549 2.590 -0.458 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -12.625 4.035 -1.447 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -11.753 5.617 1.600 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -9.207 5.848 2.032 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -10.236 2.156 -1.778 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -6.849 4.645 1.002 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -7.796 1.744 -2.001 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -6.126 2.923 -0.677 1.00 0.00 H new ATOM 1152 N PRO A 80 -15.501 4.745 -1.218 1.00 0.00 N ATOM 1153 CA PRO A 80 -16.748 4.561 -1.941 1.00 0.00 C ATOM 1154 C PRO A 80 -16.601 3.492 -3.025 1.00 0.00 C ATOM 1155 O PRO A 80 -15.486 3.120 -3.388 1.00 0.00 O ATOM 1156 CB PRO A 80 -17.083 5.934 -2.502 1.00 0.00 C ATOM 1157 CG PRO A 80 -15.786 6.726 -2.468 1.00 0.00 C ATOM 1158 CD PRO A 80 -14.803 5.972 -1.587 1.00 0.00 C ATOM 0 HA PRO A 80 -17.554 4.198 -1.304 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -17.467 5.857 -3.519 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.854 6.422 -1.906 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -15.384 6.844 -3.474 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -15.960 7.728 -2.075 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -13.878 5.756 -2.121 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -14.534 6.554 -0.706 1.00 0.00 H new ATOM 1166 N VAL A 81 -17.743 3.027 -3.511 1.00 0.00 N ATOM 1167 CA VAL A 81 -17.755 2.007 -4.546 1.00 0.00 C ATOM 1168 C VAL A 81 -17.938 2.674 -5.911 1.00 0.00 C ATOM 1169 O VAL A 81 -18.960 3.313 -6.161 1.00 0.00 O ATOM 1170 CB VAL A 81 -18.832 0.964 -4.241 1.00 0.00 C ATOM 1171 CG1 VAL A 81 -20.232 1.556 -4.413 1.00 0.00 C ATOM 1172 CG2 VAL A 81 -18.652 -0.281 -5.111 1.00 0.00 C ATOM 0 H VAL A 81 -18.666 3.338 -3.207 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.804 1.475 -4.569 1.00 0.00 H new ATOM 0 HB VAL A 81 -18.721 0.663 -3.199 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -20.979 0.794 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -20.357 2.397 -3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -20.358 1.899 -5.440 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -19.430 -1.006 -4.874 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -18.723 -0.003 -6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -17.674 -0.722 -4.917 1.00 0.00 H new ATOM 1182 N GLY A 82 -16.934 2.503 -6.757 1.00 0.00 N ATOM 1183 CA GLY A 82 -16.972 3.080 -8.090 1.00 0.00 C ATOM 1184 C GLY A 82 -15.582 3.551 -8.524 1.00 0.00 C ATOM 1185 O GLY A 82 -15.022 3.037 -9.491 1.00 0.00 O ATOM 0 H GLY A 82 -16.089 1.973 -6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.348 2.342 -8.799 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -17.666 3.920 -8.107 1.00 0.00 H new ATOM 1189 N GLY A 83 -15.064 4.522 -7.786 1.00 0.00 N ATOM 1190 CA GLY A 83 -13.750 5.068 -8.082 1.00 0.00 C ATOM 1191 C GLY A 83 -12.668 3.995 -7.946 1.00 0.00 C ATOM 1192 O GLY A 83 -12.909 2.934 -7.372 1.00 0.00 O ATOM 0 H GLY A 83 -15.531 4.945 -6.984 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.740 5.474 -9.094 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.535 5.895 -7.405 1.00 0.00 H new ATOM 1196 N ASP A 84 -11.499 4.308 -8.485 1.00 0.00 N ATOM 1197 CA ASP A 84 -10.379 3.384 -8.432 1.00 0.00 C ATOM 1198 C ASP A 84 -9.489 3.736 -7.238 1.00 0.00 C ATOM 1199 O ASP A 84 -8.264 3.720 -7.346 1.00 0.00 O ATOM 1200 CB ASP A 84 -9.527 3.476 -9.699 1.00 0.00 C ATOM 1201 CG ASP A 84 -10.028 2.638 -10.877 1.00 0.00 C ATOM 1202 OD1 ASP A 84 -10.698 1.619 -10.605 1.00 0.00 O ATOM 1203 OD2 ASP A 84 -9.731 3.037 -12.024 1.00 0.00 O ATOM 0 H ASP A 84 -11.303 5.189 -8.961 1.00 0.00 H new ATOM 0 HA ASP A 84 -10.780 2.375 -8.340 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -9.477 4.519 -10.010 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.510 3.166 -9.458 1.00 0.00 H new ATOM 1208 N SER A 85 -10.140 4.047 -6.126 1.00 0.00 N ATOM 1209 CA SER A 85 -9.424 4.403 -4.914 1.00 0.00 C ATOM 1210 C SER A 85 -8.193 3.508 -4.751 1.00 0.00 C ATOM 1211 O SER A 85 -8.176 2.376 -5.232 1.00 0.00 O ATOM 1212 CB SER A 85 -10.329 4.288 -3.685 1.00 0.00 C ATOM 1213 OG SER A 85 -11.009 3.037 -3.638 1.00 0.00 O ATOM 0 H SER A 85 -11.156 4.060 -6.040 1.00 0.00 H new ATOM 0 HA SER A 85 -9.103 5.441 -5.000 1.00 0.00 H new ATOM 0 HB2 SER A 85 -9.731 4.410 -2.782 1.00 0.00 H new ATOM 0 HB3 SER A 85 -11.059 5.097 -3.695 1.00 0.00 H new ATOM 0 HG SER A 85 -11.929 3.176 -3.332 1.00 0.00 H new ATOM 1219 N ARG A 86 -7.192 4.050 -4.073 1.00 0.00 N ATOM 1220 CA ARG A 86 -5.960 3.315 -3.841 1.00 0.00 C ATOM 1221 C ARG A 86 -5.113 4.021 -2.781 1.00 0.00 C ATOM 1222 O ARG A 86 -5.457 5.113 -2.331 1.00 0.00 O ATOM 1223 CB ARG A 86 -5.147 3.184 -5.130 1.00 0.00 C ATOM 1224 CG ARG A 86 -4.856 4.558 -5.738 1.00 0.00 C ATOM 1225 CD ARG A 86 -3.433 5.013 -5.410 1.00 0.00 C ATOM 1226 NE ARG A 86 -3.065 6.173 -6.253 1.00 0.00 N ATOM 1227 CZ ARG A 86 -2.852 6.104 -7.574 1.00 0.00 C ATOM 1228 NH1 ARG A 86 -2.969 4.932 -8.211 1.00 0.00 N ATOM 1229 NH2 ARG A 86 -2.523 7.209 -8.258 1.00 0.00 N ATOM 0 H ARG A 86 -7.209 4.990 -3.677 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.229 2.318 -3.491 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.209 2.669 -4.922 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.694 2.573 -5.848 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.988 4.516 -6.819 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -5.571 5.287 -5.357 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.362 5.282 -4.356 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.733 4.195 -5.578 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.968 7.082 -5.800 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.220 4.092 -7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -2.807 4.880 -9.217 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.435 8.102 -7.773 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.361 7.157 -9.264 1.00 0.00 H new ATOM 1243 N PHE A 87 -4.021 3.368 -2.411 1.00 0.00 N ATOM 1244 CA PHE A 87 -3.121 3.919 -1.412 1.00 0.00 C ATOM 1245 C PHE A 87 -1.826 4.418 -2.056 1.00 0.00 C ATOM 1246 O PHE A 87 -1.521 4.070 -3.196 1.00 0.00 O ATOM 1247 CB PHE A 87 -2.789 2.788 -0.437 1.00 0.00 C ATOM 1248 CG PHE A 87 -3.825 2.600 0.673 1.00 0.00 C ATOM 1249 CD1 PHE A 87 -3.888 3.486 1.703 1.00 0.00 C ATOM 1250 CD2 PHE A 87 -4.683 1.545 0.631 1.00 0.00 C ATOM 1251 CE1 PHE A 87 -4.849 3.311 2.733 1.00 0.00 C ATOM 1252 CE2 PHE A 87 -5.644 1.370 1.661 1.00 0.00 C ATOM 1253 CZ PHE A 87 -5.707 2.257 2.690 1.00 0.00 C ATOM 0 H PHE A 87 -3.739 2.462 -2.785 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.594 4.763 -0.910 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -2.696 1.856 -0.995 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -1.818 2.986 0.016 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -3.207 4.323 1.737 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -4.633 0.841 -0.186 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.899 4.015 3.551 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.325 0.533 1.627 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.439 2.124 3.473 1.00 0.00 H new ATOM 1263 N VAL A 88 -1.099 5.227 -1.298 1.00 0.00 N ATOM 1264 CA VAL A 88 0.156 5.777 -1.780 1.00 0.00 C ATOM 1265 C VAL A 88 1.197 5.720 -0.661 1.00 0.00 C ATOM 1266 O VAL A 88 0.848 5.758 0.518 1.00 0.00 O ATOM 1267 CB VAL A 88 -0.066 7.192 -2.319 1.00 0.00 C ATOM 1268 CG1 VAL A 88 1.264 7.853 -2.687 1.00 0.00 C ATOM 1269 CG2 VAL A 88 -1.022 7.181 -3.513 1.00 0.00 C ATOM 0 H VAL A 88 -1.356 5.514 -0.354 1.00 0.00 H new ATOM 0 HA VAL A 88 0.539 5.183 -2.610 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.527 7.783 -1.528 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.078 8.857 -3.067 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.898 7.912 -1.802 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.764 7.262 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.162 8.199 -3.876 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.603 6.566 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.984 6.770 -3.205 1.00 0.00 H new ATOM 1279 N PHE A 89 2.454 5.629 -1.069 1.00 0.00 N ATOM 1280 CA PHE A 89 3.548 5.566 -0.115 1.00 0.00 C ATOM 1281 C PHE A 89 4.465 6.783 -0.250 1.00 0.00 C ATOM 1282 O PHE A 89 5.118 6.962 -1.277 1.00 0.00 O ATOM 1283 CB PHE A 89 4.348 4.302 -0.434 1.00 0.00 C ATOM 1284 CG PHE A 89 5.208 3.799 0.727 1.00 0.00 C ATOM 1285 CD1 PHE A 89 4.707 3.795 1.992 1.00 0.00 C ATOM 1286 CD2 PHE A 89 6.472 3.355 0.495 1.00 0.00 C ATOM 1287 CE1 PHE A 89 5.504 3.328 3.070 1.00 0.00 C ATOM 1288 CE2 PHE A 89 7.270 2.888 1.574 1.00 0.00 C ATOM 1289 CZ PHE A 89 6.769 2.885 2.838 1.00 0.00 C ATOM 0 H PHE A 89 2.739 5.597 -2.048 1.00 0.00 H new ATOM 0 HA PHE A 89 3.154 5.553 0.901 1.00 0.00 H new ATOM 0 HB2 PHE A 89 3.657 3.512 -0.729 1.00 0.00 H new ATOM 0 HB3 PHE A 89 4.992 4.499 -1.291 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.703 4.147 2.176 1.00 0.00 H new ATOM 0 HD2 PHE A 89 6.869 3.357 -0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 89 5.106 3.324 4.074 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.274 2.536 1.390 1.00 0.00 H new ATOM 0 HZ PHE A 89 7.376 2.531 3.658 1.00 0.00 H new ATOM 1299 N ARG A 90 4.484 7.590 0.801 1.00 0.00 N ATOM 1300 CA ARG A 90 5.310 8.785 0.813 1.00 0.00 C ATOM 1301 C ARG A 90 5.758 9.107 2.240 1.00 0.00 C ATOM 1302 O ARG A 90 5.155 8.639 3.204 1.00 0.00 O ATOM 1303 CB ARG A 90 4.550 9.984 0.241 1.00 0.00 C ATOM 1304 CG ARG A 90 3.144 10.078 0.838 1.00 0.00 C ATOM 1305 CD ARG A 90 2.174 10.735 -0.146 1.00 0.00 C ATOM 1306 NE ARG A 90 2.665 12.079 -0.520 1.00 0.00 N ATOM 1307 CZ ARG A 90 1.900 13.034 -1.066 1.00 0.00 C ATOM 1308 NH1 ARG A 90 0.602 12.798 -1.304 1.00 0.00 N ATOM 1309 NH2 ARG A 90 2.431 14.225 -1.374 1.00 0.00 N ATOM 0 H ARG A 90 3.940 7.439 1.651 1.00 0.00 H new ATOM 0 HA ARG A 90 6.183 8.591 0.190 1.00 0.00 H new ATOM 0 HB2 ARG A 90 5.100 10.901 0.451 1.00 0.00 H new ATOM 0 HB3 ARG A 90 4.483 9.893 -0.843 1.00 0.00 H new ATOM 0 HG2 ARG A 90 2.787 9.081 1.095 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.175 10.654 1.763 1.00 0.00 H new ATOM 0 HD2 ARG A 90 2.072 10.115 -1.037 1.00 0.00 H new ATOM 0 HD3 ARG A 90 1.184 10.813 0.304 1.00 0.00 H new ATOM 0 HE ARG A 90 3.648 12.292 -0.352 1.00 0.00 H new ATOM 0 HH11 ARG A 90 0.197 11.892 -1.069 1.00 0.00 H new ATOM 0 HH12 ARG A 90 0.019 13.525 -1.720 1.00 0.00 H new ATOM 0 HH21 ARG A 90 3.418 14.405 -1.193 1.00 0.00 H new ATOM 0 HH22 ARG A 90 1.848 14.951 -1.790 1.00 0.00 H new ATOM 1323 N LYS A 91 6.813 9.904 2.329 1.00 0.00 N ATOM 1324 CA LYS A 91 7.349 10.293 3.622 1.00 0.00 C ATOM 1325 C LYS A 91 7.070 11.779 3.858 1.00 0.00 C ATOM 1326 O LYS A 91 7.062 12.239 4.999 1.00 0.00 O ATOM 1327 CB LYS A 91 8.830 9.922 3.721 1.00 0.00 C ATOM 1328 CG LYS A 91 9.688 10.855 2.864 1.00 0.00 C ATOM 1329 CD LYS A 91 10.846 10.093 2.215 1.00 0.00 C ATOM 1330 CE LYS A 91 11.903 9.714 3.255 1.00 0.00 C ATOM 1331 NZ LYS A 91 13.063 10.628 3.171 1.00 0.00 N ATOM 0 H LYS A 91 7.311 10.291 1.527 1.00 0.00 H new ATOM 0 HA LYS A 91 6.852 9.744 4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 91 9.154 9.977 4.760 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.973 8.891 3.397 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.072 11.314 2.091 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.080 11.663 3.481 1.00 0.00 H new ATOM 0 HD2 LYS A 91 10.468 9.193 1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 91 11.300 10.707 1.437 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.470 9.757 4.254 1.00 0.00 H new ATOM 0 HE3 LYS A 91 12.229 8.687 3.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.771 10.357 3.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 13.485 10.567 2.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.750 11.604 3.348 1.00 0.00 H new ATOM 1345 N ASN A 92 6.848 12.488 2.761 1.00 0.00 N ATOM 1346 CA ASN A 92 6.570 13.912 2.835 1.00 0.00 C ATOM 1347 C ASN A 92 5.238 14.204 2.140 1.00 0.00 C ATOM 1348 O ASN A 92 5.216 14.655 0.996 1.00 0.00 O ATOM 1349 CB ASN A 92 7.658 14.724 2.129 1.00 0.00 C ATOM 1350 CG ASN A 92 8.578 15.406 3.144 1.00 0.00 C ATOM 1351 OD1 ASN A 92 8.211 15.664 4.278 1.00 0.00 O ATOM 1352 ND2 ASN A 92 9.790 15.684 2.673 1.00 0.00 N ATOM 0 H ASN A 92 6.855 12.103 1.816 1.00 0.00 H new ATOM 0 HA ASN A 92 6.535 14.194 3.887 1.00 0.00 H new ATOM 0 HB2 ASN A 92 8.244 14.070 1.484 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.198 15.475 1.488 1.00 0.00 H new ATOM 0 HD21 ASN A 92 10.478 16.141 3.272 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.032 15.440 1.713 1.00 0.00 H new ATOM 1359 N PHE A 93 4.160 13.933 2.861 1.00 0.00 N ATOM 1360 CA PHE A 93 2.827 14.161 2.328 1.00 0.00 C ATOM 1361 C PHE A 93 2.132 15.310 3.061 1.00 0.00 C ATOM 1362 O PHE A 93 2.215 15.411 4.284 1.00 0.00 O ATOM 1363 CB PHE A 93 2.031 12.873 2.551 1.00 0.00 C ATOM 1364 CG PHE A 93 0.736 13.072 3.343 1.00 0.00 C ATOM 1365 CD1 PHE A 93 -0.422 13.362 2.691 1.00 0.00 C ATOM 1366 CD2 PHE A 93 0.744 12.957 4.698 1.00 0.00 C ATOM 1367 CE1 PHE A 93 -1.623 13.546 3.426 1.00 0.00 C ATOM 1368 CE2 PHE A 93 -0.457 13.141 5.432 1.00 0.00 C ATOM 1369 CZ PHE A 93 -1.615 13.432 4.781 1.00 0.00 C ATOM 0 H PHE A 93 4.182 13.558 3.809 1.00 0.00 H new ATOM 0 HA PHE A 93 2.888 14.424 1.272 1.00 0.00 H new ATOM 0 HB2 PHE A 93 1.789 12.435 1.583 1.00 0.00 H new ATOM 0 HB3 PHE A 93 2.660 12.155 3.077 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.428 13.452 1.615 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.663 12.726 5.215 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.543 13.776 2.909 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.451 13.050 6.508 1.00 0.00 H new ATOM 0 HZ PHE A 93 -2.528 13.573 5.340 1.00 0.00 H new ATOM 1379 N ALA A 94 1.462 16.146 2.283 1.00 0.00 N ATOM 1380 CA ALA A 94 0.753 17.284 2.843 1.00 0.00 C ATOM 1381 C ALA A 94 1.765 18.336 3.301 1.00 0.00 C ATOM 1382 O ALA A 94 1.786 18.715 4.471 1.00 0.00 O ATOM 1383 CB ALA A 94 -0.153 16.812 3.982 1.00 0.00 C ATOM 0 H ALA A 94 1.395 16.058 1.269 1.00 0.00 H new ATOM 0 HA ALA A 94 0.115 17.746 2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.685 17.666 4.402 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.873 16.089 3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.452 16.344 4.758 1.00 0.00 H new ATOM 1389 N SER A 95 2.582 18.777 2.355 1.00 0.00 N ATOM 1390 CA SER A 95 3.594 19.777 2.647 1.00 0.00 C ATOM 1391 C SER A 95 3.733 20.741 1.468 1.00 0.00 C ATOM 1392 O SER A 95 3.506 21.941 1.612 1.00 0.00 O ATOM 1393 CB SER A 95 4.942 19.122 2.959 1.00 0.00 C ATOM 1394 OG SER A 95 5.939 20.084 3.292 1.00 0.00 O ATOM 0 H SER A 95 2.563 18.460 1.386 1.00 0.00 H new ATOM 0 HA SER A 95 3.279 20.335 3.529 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.822 18.423 3.787 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.271 18.542 2.097 1.00 0.00 H new ATOM 0 HG SER A 95 6.784 19.626 3.486 1.00 0.00 H new ATOM 1400 N GLY A 96 4.106 20.180 0.327 1.00 0.00 N ATOM 1401 CA GLY A 96 4.278 20.976 -0.877 1.00 0.00 C ATOM 1402 C GLY A 96 4.318 20.086 -2.121 1.00 0.00 C ATOM 1403 O GLY A 96 4.332 18.861 -2.012 1.00 0.00 O ATOM 0 H GLY A 96 4.294 19.184 0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.461 21.692 -0.964 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.201 21.552 -0.808 1.00 0.00 H new ATOM 1407 N PRO A 97 4.335 20.754 -3.305 1.00 0.00 N ATOM 1408 CA PRO A 97 4.373 20.037 -4.569 1.00 0.00 C ATOM 1409 C PRO A 97 5.766 19.464 -4.832 1.00 0.00 C ATOM 1410 O PRO A 97 6.762 20.183 -4.758 1.00 0.00 O ATOM 1411 CB PRO A 97 3.942 21.055 -5.612 1.00 0.00 C ATOM 1412 CG PRO A 97 4.128 22.418 -4.965 1.00 0.00 C ATOM 1413 CD PRO A 97 4.319 22.204 -3.473 1.00 0.00 C ATOM 0 HA PRO A 97 3.712 19.170 -4.581 1.00 0.00 H new ATOM 0 HB2 PRO A 97 4.544 20.966 -6.516 1.00 0.00 H new ATOM 0 HB3 PRO A 97 2.903 20.900 -5.904 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.992 22.928 -5.391 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.260 23.051 -5.152 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.249 22.653 -3.125 1.00 0.00 H new ATOM 0 HD3 PRO A 97 3.511 22.660 -2.901 1.00 0.00 H new ATOM 1421 N SER A 98 5.793 18.174 -5.135 1.00 0.00 N ATOM 1422 CA SER A 98 7.048 17.496 -5.410 1.00 0.00 C ATOM 1423 C SER A 98 7.985 17.619 -4.207 1.00 0.00 C ATOM 1424 O SER A 98 7.835 18.526 -3.389 1.00 0.00 O ATOM 1425 CB SER A 98 7.718 18.063 -6.664 1.00 0.00 C ATOM 1426 OG SER A 98 7.898 17.070 -7.669 1.00 0.00 O ATOM 0 H SER A 98 4.966 17.581 -5.196 1.00 0.00 H new ATOM 0 HA SER A 98 6.834 16.442 -5.590 1.00 0.00 H new ATOM 0 HB2 SER A 98 7.112 18.876 -7.063 1.00 0.00 H new ATOM 0 HB3 SER A 98 8.686 18.488 -6.397 1.00 0.00 H new ATOM 0 HG SER A 98 8.327 17.472 -8.453 1.00 0.00 H new ATOM 1432 N SER A 99 8.930 16.693 -4.135 1.00 0.00 N ATOM 1433 CA SER A 99 9.890 16.686 -3.045 1.00 0.00 C ATOM 1434 C SER A 99 11.271 17.096 -3.561 1.00 0.00 C ATOM 1435 O SER A 99 11.850 18.072 -3.088 1.00 0.00 O ATOM 1436 CB SER A 99 9.958 15.310 -2.379 1.00 0.00 C ATOM 1437 OG SER A 99 10.351 15.397 -1.012 1.00 0.00 O ATOM 0 H SER A 99 9.051 15.942 -4.814 1.00 0.00 H new ATOM 0 HA SER A 99 9.561 17.406 -2.295 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.983 14.826 -2.446 1.00 0.00 H new ATOM 0 HB3 SER A 99 10.664 14.680 -2.920 1.00 0.00 H new ATOM 0 HG SER A 99 10.381 14.498 -0.622 1.00 0.00 H new ATOM 1443 N GLY A 100 11.758 16.328 -4.525 1.00 0.00 N ATOM 1444 CA GLY A 100 13.060 16.598 -5.111 1.00 0.00 C ATOM 1445 C GLY A 100 12.917 17.240 -6.492 1.00 0.00 C ATOM 1446 O GLY A 100 12.756 16.540 -7.491 1.00 0.00 O ATOM 0 H GLY A 100 11.274 15.519 -4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 100 13.628 17.259 -4.456 1.00 0.00 H new ATOM 0 HA3 GLY A 100 13.625 15.670 -5.194 1.00 0.00 H new TER 1450 GLY A 100