USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 821 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 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 65 CYS SG : rot 135:sc= -2.97! USER MOD Set 2.1: A 19 HIS : +bothHN:sc= -0.623 X(o=-1.1,f=-1.4) USER MOD Set 2.2: A 82 TYR OH : rot 8:sc= -0.493 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 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 9 SER OG : rot 67:sc= 0.536 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 166:sc= -0.909 (180deg=-1.49) USER MOD Single : A 36 GLN : amide:sc= -0.329 K(o=-0.33,f=-2.5!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0602 USER MOD Single : A 42 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.054) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.415 X(o=-0.42,f=-0.092) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= -0.0016 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0419 USER MOD Single : A 68 GLN : amide:sc= -0.72 K(o=-0.72,f=-4.6!) USER MOD Single : A 70 CYS SG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl -157:sc= -3.06 (180deg=-4.95) USER MOD Single : A 72 TYR OH : rot 2:sc= 0.0221 USER MOD Single : A 73 LYS NZ :NH3+ -150:sc= 0.586 (180deg=0.195) USER MOD Single : A 76 GLN : amide:sc= 0.00301 X(o=0.003,f=0) USER MOD Single : A 77 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.148) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.685 K(o=-0.68,f=-1.9!) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0462) USER MOD Single : A 99 SER OG : rot -67:sc= -0.181 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0.00665 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.239 -29.275 5.045 1.00 0.00 N ATOM 2 CA GLY A 1 -4.315 -28.157 4.705 1.00 0.00 C ATOM 3 C GLY A 1 -3.277 -27.915 5.783 1.00 0.00 C ATOM 4 O GLY A 1 -2.308 -28.665 5.900 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.929 -29.401 4.277 1.00 0.00 H new ATOM 0 H2 GLY A 1 -4.693 -30.152 5.167 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.741 -29.054 5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -3.812 -28.379 3.764 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.893 -27.246 4.550 1.00 0.00 H new ATOM 10 N SER A 2 -3.478 -26.864 6.571 1.00 0.00 N ATOM 11 CA SER A 2 -2.551 -26.525 7.644 1.00 0.00 C ATOM 12 C SER A 2 -3.141 -25.453 8.554 1.00 0.00 C ATOM 13 O SER A 2 -3.221 -25.630 9.770 1.00 0.00 O ATOM 14 CB SER A 2 -1.222 -26.041 7.063 1.00 0.00 C ATOM 15 OG SER A 2 -1.406 -25.452 5.788 1.00 0.00 O ATOM 0 H SER A 2 -4.275 -26.233 6.487 1.00 0.00 H new ATOM 0 HA SER A 2 -2.376 -27.423 8.236 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.768 -25.317 7.739 1.00 0.00 H new ATOM 0 HB3 SER A 2 -0.530 -26.879 6.983 1.00 0.00 H new ATOM 0 HG SER A 2 -0.541 -25.150 5.439 1.00 0.00 H new ATOM 21 N SER A 3 -3.554 -24.339 7.958 1.00 0.00 N ATOM 22 CA SER A 3 -4.138 -23.237 8.714 1.00 0.00 C ATOM 23 C SER A 3 -5.620 -23.080 8.391 1.00 0.00 C ATOM 24 O SER A 3 -6.473 -23.187 9.273 1.00 0.00 O ATOM 25 CB SER A 3 -3.397 -21.934 8.410 1.00 0.00 C ATOM 26 OG SER A 3 -3.674 -20.949 9.392 1.00 0.00 O ATOM 0 H SER A 3 -3.495 -24.176 6.953 1.00 0.00 H new ATOM 0 HA SER A 3 -4.039 -23.465 9.775 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.324 -22.122 8.372 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.691 -21.565 7.427 1.00 0.00 H new ATOM 0 HG SER A 3 -3.187 -20.126 9.176 1.00 0.00 H new ATOM 32 N GLY A 4 -5.920 -22.826 7.122 1.00 0.00 N ATOM 33 CA GLY A 4 -7.300 -22.658 6.706 1.00 0.00 C ATOM 34 C GLY A 4 -7.422 -21.935 5.378 1.00 0.00 C ATOM 35 O GLY A 4 -7.982 -22.469 4.421 1.00 0.00 O ATOM 0 H GLY A 4 -5.232 -22.733 6.374 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.774 -23.636 6.628 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.841 -22.101 7.471 1.00 0.00 H new ATOM 39 N SER A 5 -6.896 -20.716 5.321 1.00 0.00 N ATOM 40 CA SER A 5 -6.948 -19.918 4.102 1.00 0.00 C ATOM 41 C SER A 5 -5.823 -18.887 4.079 1.00 0.00 C ATOM 42 O SER A 5 -5.847 -17.910 4.828 1.00 0.00 O ATOM 43 CB SER A 5 -8.302 -19.215 3.984 1.00 0.00 C ATOM 44 OG SER A 5 -8.746 -19.185 2.639 1.00 0.00 O ATOM 0 H SER A 5 -6.429 -20.259 6.105 1.00 0.00 H new ATOM 0 HA SER A 5 -6.820 -20.589 3.253 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.038 -19.730 4.602 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.221 -18.197 4.366 1.00 0.00 H new ATOM 0 HG SER A 5 -9.614 -18.732 2.591 1.00 0.00 H new ATOM 50 N SER A 6 -4.840 -19.112 3.214 1.00 0.00 N ATOM 51 CA SER A 6 -3.706 -18.203 3.092 1.00 0.00 C ATOM 52 C SER A 6 -4.056 -17.011 2.207 1.00 0.00 C ATOM 53 O SER A 6 -5.029 -17.048 1.453 1.00 0.00 O ATOM 54 CB SER A 6 -2.494 -18.939 2.520 1.00 0.00 C ATOM 55 OG SER A 6 -1.780 -19.616 3.539 1.00 0.00 O ATOM 0 H SER A 6 -4.806 -19.916 2.587 1.00 0.00 H new ATOM 0 HA SER A 6 -3.461 -17.833 4.088 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.822 -19.654 1.765 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.835 -18.228 2.021 1.00 0.00 H new ATOM 0 HG SER A 6 -1.011 -20.080 3.147 1.00 0.00 H new ATOM 61 N GLY A 7 -3.257 -15.953 2.304 1.00 0.00 N ATOM 62 CA GLY A 7 -3.498 -14.765 1.507 1.00 0.00 C ATOM 63 C GLY A 7 -2.530 -13.644 1.830 1.00 0.00 C ATOM 64 O GLY A 7 -1.500 -13.867 2.466 1.00 0.00 O ATOM 0 H GLY A 7 -2.447 -15.898 2.921 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.417 -15.018 0.450 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.518 -14.420 1.675 1.00 0.00 H new ATOM 68 N VAL A 8 -2.860 -12.434 1.389 1.00 0.00 N ATOM 69 CA VAL A 8 -2.011 -11.274 1.633 1.00 0.00 C ATOM 70 C VAL A 8 -0.614 -11.484 1.059 1.00 0.00 C ATOM 71 O VAL A 8 0.367 -10.942 1.570 1.00 0.00 O ATOM 72 CB VAL A 8 -1.896 -10.967 3.139 1.00 0.00 C ATOM 73 CG1 VAL A 8 -1.227 -9.619 3.360 1.00 0.00 C ATOM 74 CG2 VAL A 8 -3.266 -11.004 3.798 1.00 0.00 C ATOM 0 H VAL A 8 -3.709 -12.232 0.861 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.482 -10.428 1.133 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.275 -11.735 3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -1.155 -9.420 4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -0.228 -9.633 2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -1.819 -8.837 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.164 -10.785 4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.913 -10.259 3.334 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.704 -11.994 3.672 1.00 0.00 H new ATOM 84 N SER A 9 -0.530 -12.274 -0.007 1.00 0.00 N ATOM 85 CA SER A 9 0.747 -12.556 -0.652 1.00 0.00 C ATOM 86 C SER A 9 0.577 -12.670 -2.163 1.00 0.00 C ATOM 87 O SER A 9 1.337 -12.078 -2.929 1.00 0.00 O ATOM 88 CB SER A 9 1.350 -13.847 -0.094 1.00 0.00 C ATOM 89 OG SER A 9 1.138 -13.948 1.304 1.00 0.00 O ATOM 0 H SER A 9 -1.332 -12.730 -0.442 1.00 0.00 H new ATOM 0 HA SER A 9 1.424 -11.728 -0.442 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.904 -14.706 -0.595 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.419 -13.874 -0.305 1.00 0.00 H new ATOM 0 HG SER A 9 0.181 -14.059 1.483 1.00 0.00 H new ATOM 95 N GLN A 10 -0.425 -13.435 -2.584 1.00 0.00 N ATOM 96 CA GLN A 10 -0.696 -13.626 -4.003 1.00 0.00 C ATOM 97 C GLN A 10 -1.226 -12.342 -4.634 1.00 0.00 C ATOM 98 O GLN A 10 -1.050 -12.107 -5.830 1.00 0.00 O ATOM 99 CB GLN A 10 -1.704 -14.761 -4.203 1.00 0.00 C ATOM 100 CG GLN A 10 -1.056 -16.101 -4.510 1.00 0.00 C ATOM 101 CD GLN A 10 -2.048 -17.124 -5.027 1.00 0.00 C ATOM 102 OE1 GLN A 10 -2.307 -17.204 -6.228 1.00 0.00 O ATOM 103 NE2 GLN A 10 -2.612 -17.912 -4.119 1.00 0.00 N ATOM 0 H GLN A 10 -1.062 -13.932 -1.962 1.00 0.00 H new ATOM 0 HA GLN A 10 0.241 -13.890 -4.494 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.313 -14.858 -3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -2.379 -14.498 -5.018 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -0.268 -15.958 -5.250 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -0.580 -16.485 -3.608 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.368 -17.811 -3.134 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -3.289 -18.618 -4.407 1.00 0.00 H new ATOM 112 N ARG A 11 -1.876 -11.512 -3.823 1.00 0.00 N ATOM 113 CA ARG A 11 -2.430 -10.251 -4.303 1.00 0.00 C ATOM 114 C ARG A 11 -1.335 -9.360 -4.883 1.00 0.00 C ATOM 115 O ARG A 11 -0.174 -9.450 -4.484 1.00 0.00 O ATOM 116 CB ARG A 11 -3.150 -9.520 -3.167 1.00 0.00 C ATOM 117 CG ARG A 11 -4.219 -10.358 -2.483 1.00 0.00 C ATOM 118 CD ARG A 11 -5.422 -10.578 -3.387 1.00 0.00 C ATOM 119 NE ARG A 11 -6.611 -9.886 -2.894 1.00 0.00 N ATOM 120 CZ ARG A 11 -7.853 -10.194 -3.259 1.00 0.00 C ATOM 121 NH1 ARG A 11 -8.074 -11.179 -4.121 1.00 0.00 N ATOM 122 NH2 ARG A 11 -8.877 -9.515 -2.761 1.00 0.00 N ATOM 0 H ARG A 11 -2.032 -11.690 -2.831 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.147 -10.476 -5.093 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.416 -9.207 -2.425 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -3.609 -8.614 -3.563 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -3.798 -11.322 -2.196 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.538 -9.863 -1.566 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.189 -10.227 -4.392 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -5.629 -11.646 -3.462 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.481 -9.122 -2.231 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.290 -11.704 -4.507 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.028 -11.411 -4.397 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.713 -8.757 -2.099 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.829 -9.751 -3.040 1.00 0.00 H new ATOM 136 N PRO A 12 -1.693 -8.482 -5.837 1.00 0.00 N ATOM 137 CA PRO A 12 -0.735 -7.571 -6.473 1.00 0.00 C ATOM 138 C PRO A 12 0.082 -6.785 -5.453 1.00 0.00 C ATOM 139 O PRO A 12 -0.358 -6.568 -4.323 1.00 0.00 O ATOM 140 CB PRO A 12 -1.625 -6.630 -7.284 1.00 0.00 C ATOM 141 CG PRO A 12 -2.853 -7.423 -7.568 1.00 0.00 C ATOM 142 CD PRO A 12 -3.057 -8.309 -6.370 1.00 0.00 C ATOM 0 HA PRO A 12 0.000 -8.107 -7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.859 -5.725 -6.723 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -1.134 -6.316 -8.205 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.712 -6.771 -7.722 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -2.735 -8.015 -8.476 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.719 -7.848 -5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -3.504 -9.264 -6.648 1.00 0.00 H new ATOM 150 N PHE A 13 1.275 -6.361 -5.857 1.00 0.00 N ATOM 151 CA PHE A 13 2.155 -5.599 -4.979 1.00 0.00 C ATOM 152 C PHE A 13 1.566 -4.225 -4.677 1.00 0.00 C ATOM 153 O PHE A 13 1.643 -3.739 -3.550 1.00 0.00 O ATOM 154 CB PHE A 13 3.537 -5.445 -5.615 1.00 0.00 C ATOM 155 CG PHE A 13 4.527 -4.735 -4.736 1.00 0.00 C ATOM 156 CD1 PHE A 13 4.902 -5.275 -3.516 1.00 0.00 C ATOM 157 CD2 PHE A 13 5.083 -3.529 -5.130 1.00 0.00 C ATOM 158 CE1 PHE A 13 5.813 -4.625 -2.706 1.00 0.00 C ATOM 159 CE2 PHE A 13 5.994 -2.873 -4.324 1.00 0.00 C ATOM 160 CZ PHE A 13 6.359 -3.422 -3.110 1.00 0.00 C ATOM 0 H PHE A 13 1.655 -6.533 -6.788 1.00 0.00 H new ATOM 0 HA PHE A 13 2.253 -6.147 -4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 13 3.926 -6.433 -5.862 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.438 -4.898 -6.552 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.477 -6.215 -3.195 1.00 0.00 H new ATOM 0 HD2 PHE A 13 4.801 -3.096 -6.078 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.098 -5.057 -1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.420 -1.933 -4.643 1.00 0.00 H new ATOM 0 HZ PHE A 13 7.070 -2.911 -2.478 1.00 0.00 H new ATOM 170 N ARG A 14 0.978 -3.602 -5.694 1.00 0.00 N ATOM 171 CA ARG A 14 0.377 -2.282 -5.538 1.00 0.00 C ATOM 172 C ARG A 14 -0.810 -2.334 -4.581 1.00 0.00 C ATOM 173 O ARG A 14 -1.106 -1.359 -3.891 1.00 0.00 O ATOM 174 CB ARG A 14 -0.068 -1.738 -6.897 1.00 0.00 C ATOM 175 CG ARG A 14 0.314 -0.284 -7.124 1.00 0.00 C ATOM 176 CD ARG A 14 -0.417 0.304 -8.321 1.00 0.00 C ATOM 177 NE ARG A 14 0.151 1.585 -8.734 1.00 0.00 N ATOM 178 CZ ARG A 14 -0.488 2.467 -9.497 1.00 0.00 C ATOM 179 NH1 ARG A 14 -1.716 2.211 -9.934 1.00 0.00 N ATOM 180 NH2 ARG A 14 0.101 3.610 -9.825 1.00 0.00 N ATOM 0 H ARG A 14 0.905 -3.990 -6.634 1.00 0.00 H new ATOM 0 HA ARG A 14 1.129 -1.614 -5.117 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.373 -2.348 -7.685 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -1.150 -1.839 -6.983 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.081 0.298 -6.232 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.390 -0.210 -7.281 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -0.372 -0.398 -9.154 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -1.470 0.437 -8.073 1.00 0.00 H new ATOM 0 HE ARG A 14 1.093 1.816 -8.419 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.174 1.334 -9.685 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.201 2.891 -10.519 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.044 3.812 -9.492 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -0.389 4.287 -10.410 1.00 0.00 H new ATOM 194 N ASP A 15 -1.486 -3.478 -4.545 1.00 0.00 N ATOM 195 CA ASP A 15 -2.641 -3.656 -3.672 1.00 0.00 C ATOM 196 C ASP A 15 -2.209 -3.777 -2.214 1.00 0.00 C ATOM 197 O ASP A 15 -2.865 -3.247 -1.316 1.00 0.00 O ATOM 198 CB ASP A 15 -3.432 -4.898 -4.086 1.00 0.00 C ATOM 199 CG ASP A 15 -4.362 -4.631 -5.253 1.00 0.00 C ATOM 200 OD1 ASP A 15 -3.864 -4.243 -6.332 1.00 0.00 O ATOM 201 OD2 ASP A 15 -5.587 -4.810 -5.090 1.00 0.00 O ATOM 0 H ASP A 15 -1.254 -4.295 -5.110 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.278 -2.777 -3.771 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.738 -5.695 -4.354 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.014 -5.254 -3.236 1.00 0.00 H new ATOM 206 N ARG A 16 -1.103 -4.476 -1.986 1.00 0.00 N ATOM 207 CA ARG A 16 -0.584 -4.667 -0.637 1.00 0.00 C ATOM 208 C ARG A 16 -0.157 -3.338 -0.022 1.00 0.00 C ATOM 209 O ARG A 16 -0.455 -3.055 1.138 1.00 0.00 O ATOM 210 CB ARG A 16 0.600 -5.637 -0.656 1.00 0.00 C ATOM 211 CG ARG A 16 0.203 -7.078 -0.933 1.00 0.00 C ATOM 212 CD ARG A 16 1.191 -7.760 -1.865 1.00 0.00 C ATOM 213 NE ARG A 16 2.558 -7.702 -1.353 1.00 0.00 N ATOM 214 CZ ARG A 16 3.034 -8.519 -0.416 1.00 0.00 C ATOM 215 NH1 ARG A 16 2.259 -9.456 0.115 1.00 0.00 N ATOM 216 NH2 ARG A 16 4.289 -8.398 -0.007 1.00 0.00 N ATOM 0 H ARG A 16 -0.548 -4.920 -2.718 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.382 -5.089 -0.026 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.312 -5.313 -1.415 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.114 -5.589 0.304 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.148 -7.628 0.006 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -0.793 -7.103 -1.376 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.900 -8.801 -2.003 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.151 -7.285 -2.845 1.00 0.00 H new ATOM 0 HE ARG A 16 3.184 -6.994 -1.736 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.292 -9.554 -0.194 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.630 -10.079 0.833 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.890 -7.679 -0.410 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.654 -9.024 0.711 1.00 0.00 H new ATOM 230 N VAL A 17 0.545 -2.527 -0.807 1.00 0.00 N ATOM 231 CA VAL A 17 1.013 -1.228 -0.339 1.00 0.00 C ATOM 232 C VAL A 17 -0.120 -0.206 -0.323 1.00 0.00 C ATOM 233 O VAL A 17 -0.181 0.651 0.556 1.00 0.00 O ATOM 234 CB VAL A 17 2.158 -0.693 -1.220 1.00 0.00 C ATOM 235 CG1 VAL A 17 2.762 0.563 -0.610 1.00 0.00 C ATOM 236 CG2 VAL A 17 3.222 -1.762 -1.419 1.00 0.00 C ATOM 0 H VAL A 17 0.802 -2.747 -1.769 1.00 0.00 H new ATOM 0 HA VAL A 17 1.382 -1.373 0.676 1.00 0.00 H new ATOM 0 HB VAL A 17 1.749 -0.433 -2.196 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.569 0.925 -1.247 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.994 1.332 -0.525 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.157 0.333 0.380 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.023 -1.366 -2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.628 -2.056 -0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.778 -2.631 -1.905 1.00 0.00 H new ATOM 246 N LEU A 18 -1.013 -0.304 -1.303 1.00 0.00 N ATOM 247 CA LEU A 18 -2.142 0.613 -1.400 1.00 0.00 C ATOM 248 C LEU A 18 -3.099 0.428 -0.226 1.00 0.00 C ATOM 249 O LEU A 18 -3.529 1.399 0.395 1.00 0.00 O ATOM 250 CB LEU A 18 -2.888 0.398 -2.719 1.00 0.00 C ATOM 251 CG LEU A 18 -4.120 1.284 -2.918 1.00 0.00 C ATOM 252 CD1 LEU A 18 -3.706 2.732 -3.124 1.00 0.00 C ATOM 253 CD2 LEU A 18 -4.945 0.790 -4.096 1.00 0.00 C ATOM 0 H LEU A 18 -0.976 -1.008 -2.040 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.753 1.631 -1.370 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.196 0.573 -3.543 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.196 -0.646 -2.778 1.00 0.00 H new ATOM 0 HG LEU A 18 -4.735 1.228 -2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.594 3.348 -3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.156 3.081 -2.250 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.070 2.807 -4.006 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.817 1.431 -4.224 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.339 0.817 -5.002 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.271 -0.233 -3.908 1.00 0.00 H new ATOM 265 N HIS A 19 -3.427 -0.825 0.071 1.00 0.00 N ATOM 266 CA HIS A 19 -4.334 -1.137 1.171 1.00 0.00 C ATOM 267 C HIS A 19 -3.674 -0.858 2.518 1.00 0.00 C ATOM 268 O HIS A 19 -4.339 -0.472 3.478 1.00 0.00 O ATOM 269 CB HIS A 19 -4.773 -2.600 1.098 1.00 0.00 C ATOM 270 CG HIS A 19 -5.979 -2.821 0.238 1.00 0.00 C ATOM 271 ND1 HIS A 19 -5.920 -3.095 -1.111 1.00 0.00 N ATOM 272 CD2 HIS A 19 -7.297 -2.803 0.560 1.00 0.00 C ATOM 273 CE1 HIS A 19 -7.176 -3.232 -1.557 1.00 0.00 C ATOM 274 NE2 HIS A 19 -8.049 -3.066 -0.582 1.00 0.00 N ATOM 0 H HIS A 19 -3.079 -1.640 -0.434 1.00 0.00 H new ATOM 0 HA HIS A 19 -5.211 -0.497 1.078 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -3.948 -3.200 0.714 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -4.985 -2.958 2.106 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -5.071 -3.179 -1.671 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -7.699 -2.615 1.545 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -7.439 -3.450 -2.581 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -9.065 -3.119 -0.651 1.00 0.00 H new ATOM 282 N LEU A 20 -2.361 -1.057 2.580 1.00 0.00 N ATOM 283 CA LEU A 20 -1.611 -0.827 3.809 1.00 0.00 C ATOM 284 C LEU A 20 -1.634 0.650 4.192 1.00 0.00 C ATOM 285 O LEU A 20 -2.094 1.014 5.274 1.00 0.00 O ATOM 286 CB LEU A 20 -0.165 -1.301 3.645 1.00 0.00 C ATOM 287 CG LEU A 20 0.084 -2.761 4.022 1.00 0.00 C ATOM 288 CD1 LEU A 20 1.558 -3.107 3.876 1.00 0.00 C ATOM 289 CD2 LEU A 20 -0.390 -3.033 5.442 1.00 0.00 C ATOM 0 H LEU A 20 -1.795 -1.377 1.794 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.085 -1.398 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.134 -1.154 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.480 -0.669 4.255 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.486 -3.394 3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.716 -4.150 4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.868 -2.951 2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.149 -2.467 4.532 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.205 -4.077 5.694 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.152 -2.391 6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.458 -2.826 5.515 1.00 0.00 H new ATOM 301 N LEU A 21 -1.133 1.495 3.298 1.00 0.00 N ATOM 302 CA LEU A 21 -1.095 2.934 3.541 1.00 0.00 C ATOM 303 C LEU A 21 -2.496 3.485 3.785 1.00 0.00 C ATOM 304 O LEU A 21 -2.668 4.477 4.494 1.00 0.00 O ATOM 305 CB LEU A 21 -0.450 3.654 2.356 1.00 0.00 C ATOM 306 CG LEU A 21 0.958 3.176 1.995 1.00 0.00 C ATOM 307 CD1 LEU A 21 1.408 3.788 0.678 1.00 0.00 C ATOM 308 CD2 LEU A 21 1.938 3.519 3.108 1.00 0.00 C ATOM 0 H LEU A 21 -0.747 1.209 2.398 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.497 3.110 4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.093 3.533 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.409 4.721 2.577 1.00 0.00 H new ATOM 0 HG LEU A 21 0.935 2.092 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.411 3.437 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.720 3.492 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.415 4.874 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.935 3.172 2.835 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.958 4.599 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.625 3.032 4.032 1.00 0.00 H new ATOM 320 N ALA A 22 -3.496 2.838 3.193 1.00 0.00 N ATOM 321 CA ALA A 22 -4.881 3.266 3.348 1.00 0.00 C ATOM 322 C ALA A 22 -5.293 3.280 4.816 1.00 0.00 C ATOM 323 O ALA A 22 -5.867 4.256 5.300 1.00 0.00 O ATOM 324 CB ALA A 22 -5.805 2.360 2.547 1.00 0.00 C ATOM 0 H ALA A 22 -3.372 2.016 2.602 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.965 4.283 2.966 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.836 2.691 2.671 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -5.534 2.405 1.492 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.707 1.334 2.903 1.00 0.00 H new ATOM 330 N LEU A 23 -4.994 2.193 5.520 1.00 0.00 N ATOM 331 CA LEU A 23 -5.333 2.082 6.934 1.00 0.00 C ATOM 332 C LEU A 23 -4.611 3.148 7.752 1.00 0.00 C ATOM 333 O LEU A 23 -5.241 3.935 8.458 1.00 0.00 O ATOM 334 CB LEU A 23 -4.974 0.689 7.457 1.00 0.00 C ATOM 335 CG LEU A 23 -6.075 -0.364 7.305 1.00 0.00 C ATOM 336 CD1 LEU A 23 -5.633 -1.688 7.908 1.00 0.00 C ATOM 337 CD2 LEU A 23 -7.364 0.117 7.953 1.00 0.00 C ATOM 0 H LEU A 23 -4.518 1.377 5.135 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.407 2.236 7.039 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.084 0.340 6.934 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.713 0.770 8.512 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.262 -0.518 6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.428 -2.425 7.791 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.736 -2.038 7.398 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.418 -1.551 8.968 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.136 -0.643 7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -7.192 0.299 9.014 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -7.689 1.041 7.474 1.00 0.00 H new ATOM 349 N ARG A 24 -3.287 3.167 7.650 1.00 0.00 N ATOM 350 CA ARG A 24 -2.478 4.137 8.380 1.00 0.00 C ATOM 351 C ARG A 24 -1.121 4.332 7.706 1.00 0.00 C ATOM 352 O ARG A 24 -0.664 3.471 6.954 1.00 0.00 O ATOM 353 CB ARG A 24 -2.282 3.685 9.829 1.00 0.00 C ATOM 354 CG ARG A 24 -1.693 2.289 9.956 1.00 0.00 C ATOM 355 CD ARG A 24 -1.254 1.997 11.382 1.00 0.00 C ATOM 356 NE ARG A 24 0.061 1.361 11.431 1.00 0.00 N ATOM 357 CZ ARG A 24 0.823 1.315 12.521 1.00 0.00 C ATOM 358 NH1 ARG A 24 0.404 1.865 13.654 1.00 0.00 N ATOM 359 NH2 ARG A 24 2.005 0.719 12.479 1.00 0.00 N ATOM 0 H ARG A 24 -2.751 2.522 7.069 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.007 5.090 8.374 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.628 4.394 10.337 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.243 3.713 10.343 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.432 1.551 9.643 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.840 2.190 9.284 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.229 2.926 11.951 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.988 1.350 11.862 1.00 0.00 H new ATOM 0 HE ARG A 24 0.416 0.927 10.579 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.505 2.325 13.692 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.991 1.827 14.487 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.332 0.295 11.611 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.589 0.684 13.315 1.00 0.00 H new ATOM 373 N PRO A 25 -0.457 5.471 7.970 1.00 0.00 N ATOM 374 CA PRO A 25 0.853 5.775 7.384 1.00 0.00 C ATOM 375 C PRO A 25 1.858 4.648 7.599 1.00 0.00 C ATOM 376 O PRO A 25 1.737 3.867 8.543 1.00 0.00 O ATOM 377 CB PRO A 25 1.295 7.035 8.132 1.00 0.00 C ATOM 378 CG PRO A 25 0.026 7.676 8.575 1.00 0.00 C ATOM 379 CD PRO A 25 -0.931 6.550 8.856 1.00 0.00 C ATOM 0 HA PRO A 25 0.796 5.904 6.303 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.932 6.788 8.982 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.869 7.699 7.485 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.186 8.284 9.466 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.367 8.338 7.804 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.903 6.251 9.904 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.960 6.831 8.632 1.00 0.00 H new ATOM 387 N TYR A 26 2.849 4.569 6.717 1.00 0.00 N ATOM 388 CA TYR A 26 3.876 3.537 6.810 1.00 0.00 C ATOM 389 C TYR A 26 5.173 3.999 6.154 1.00 0.00 C ATOM 390 O TYR A 26 5.256 4.109 4.931 1.00 0.00 O ATOM 391 CB TYR A 26 3.388 2.244 6.153 1.00 0.00 C ATOM 392 CG TYR A 26 2.731 1.284 7.118 1.00 0.00 C ATOM 393 CD1 TYR A 26 3.488 0.543 8.016 1.00 0.00 C ATOM 394 CD2 TYR A 26 1.350 1.119 7.131 1.00 0.00 C ATOM 395 CE1 TYR A 26 2.890 -0.335 8.899 1.00 0.00 C ATOM 396 CE2 TYR A 26 0.745 0.243 8.012 1.00 0.00 C ATOM 397 CZ TYR A 26 1.519 -0.482 8.893 1.00 0.00 C ATOM 398 OH TYR A 26 0.920 -1.356 9.772 1.00 0.00 O ATOM 0 H TYR A 26 2.963 5.207 5.930 1.00 0.00 H new ATOM 0 HA TYR A 26 4.073 3.348 7.865 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.680 2.493 5.363 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.233 1.746 5.678 1.00 0.00 H new ATOM 0 HD1 TYR A 26 4.562 0.655 8.024 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.741 1.685 6.442 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.494 -0.904 9.591 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.329 0.127 8.010 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.051 -1.340 9.639 1.00 0.00 H new ATOM 408 N ARG A 27 6.183 4.267 6.975 1.00 0.00 N ATOM 409 CA ARG A 27 7.477 4.716 6.474 1.00 0.00 C ATOM 410 C ARG A 27 8.092 3.673 5.546 1.00 0.00 C ATOM 411 O ARG A 27 7.566 2.570 5.400 1.00 0.00 O ATOM 412 CB ARG A 27 8.428 5.001 7.639 1.00 0.00 C ATOM 413 CG ARG A 27 7.786 5.786 8.772 1.00 0.00 C ATOM 414 CD ARG A 27 8.831 6.412 9.682 1.00 0.00 C ATOM 415 NE ARG A 27 8.677 5.981 11.070 1.00 0.00 N ATOM 416 CZ ARG A 27 7.623 6.277 11.825 1.00 0.00 C ATOM 417 NH1 ARG A 27 6.625 7.002 11.332 1.00 0.00 N ATOM 418 NH2 ARG A 27 7.563 5.846 13.078 1.00 0.00 N ATOM 0 H ARG A 27 6.130 4.181 7.990 1.00 0.00 H new ATOM 0 HA ARG A 27 7.321 5.634 5.908 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.803 4.055 8.030 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.289 5.556 7.266 1.00 0.00 H new ATOM 0 HG2 ARG A 27 7.148 6.567 8.358 1.00 0.00 H new ATOM 0 HG3 ARG A 27 7.144 5.126 9.355 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.827 6.145 9.328 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.754 7.498 9.629 1.00 0.00 H new ATOM 0 HE ARG A 27 9.422 5.420 11.484 1.00 0.00 H new ATOM 0 HH11 ARG A 27 6.664 7.335 10.369 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.820 7.225 11.917 1.00 0.00 H new ATOM 0 HH21 ARG A 27 8.325 5.288 13.462 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.755 6.073 13.657 1.00 0.00 H new ATOM 432 N LYS A 28 9.208 4.030 4.919 1.00 0.00 N ATOM 433 CA LYS A 28 9.894 3.125 4.004 1.00 0.00 C ATOM 434 C LYS A 28 10.345 1.860 4.727 1.00 0.00 C ATOM 435 O LYS A 28 10.018 0.747 4.314 1.00 0.00 O ATOM 436 CB LYS A 28 11.099 3.823 3.370 1.00 0.00 C ATOM 437 CG LYS A 28 10.783 4.500 2.046 1.00 0.00 C ATOM 438 CD LYS A 28 11.752 4.077 0.953 1.00 0.00 C ATOM 439 CE LYS A 28 13.054 4.860 1.029 1.00 0.00 C ATOM 440 NZ LYS A 28 13.750 4.655 2.330 1.00 0.00 N ATOM 0 H LYS A 28 9.657 4.940 5.028 1.00 0.00 H new ATOM 0 HA LYS A 28 9.193 2.842 3.218 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.485 4.568 4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.892 3.091 3.214 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.765 4.254 1.745 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.825 5.582 2.171 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.961 3.011 1.043 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.291 4.230 -0.023 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.710 4.554 0.214 1.00 0.00 H new ATOM 0 HE3 LYS A 28 12.848 5.921 0.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 14.728 5.002 2.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 13.250 5.178 3.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.759 3.641 2.563 1.00 0.00 H new ATOM 454 N ALA A 29 11.097 2.039 5.808 1.00 0.00 N ATOM 455 CA ALA A 29 11.592 0.911 6.589 1.00 0.00 C ATOM 456 C ALA A 29 10.447 0.168 7.267 1.00 0.00 C ATOM 457 O ALA A 29 10.476 -1.057 7.392 1.00 0.00 O ATOM 458 CB ALA A 29 12.600 1.389 7.624 1.00 0.00 C ATOM 0 H ALA A 29 11.377 2.953 6.163 1.00 0.00 H new ATOM 0 HA ALA A 29 12.087 0.218 5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 29 12.962 0.537 8.200 1.00 0.00 H new ATOM 0 HB2 ALA A 29 13.439 1.869 7.120 1.00 0.00 H new ATOM 0 HB3 ALA A 29 12.122 2.104 8.294 1.00 0.00 H new ATOM 464 N GLU A 30 9.439 0.915 7.703 1.00 0.00 N ATOM 465 CA GLU A 30 8.283 0.327 8.369 1.00 0.00 C ATOM 466 C GLU A 30 7.451 -0.495 7.390 1.00 0.00 C ATOM 467 O GLU A 30 6.960 -1.572 7.729 1.00 0.00 O ATOM 468 CB GLU A 30 7.419 1.424 8.998 1.00 0.00 C ATOM 469 CG GLU A 30 6.974 1.109 10.416 1.00 0.00 C ATOM 470 CD GLU A 30 6.162 2.229 11.035 1.00 0.00 C ATOM 471 OE1 GLU A 30 6.623 3.390 10.993 1.00 0.00 O ATOM 472 OE2 GLU A 30 5.065 1.947 11.560 1.00 0.00 O ATOM 0 H GLU A 30 9.399 1.930 7.607 1.00 0.00 H new ATOM 0 HA GLU A 30 8.645 -0.336 9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.979 2.359 9.001 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.538 1.582 8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.381 0.195 10.412 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.851 0.917 11.034 1.00 0.00 H new ATOM 479 N LEU A 31 7.297 0.019 6.174 1.00 0.00 N ATOM 480 CA LEU A 31 6.525 -0.668 5.146 1.00 0.00 C ATOM 481 C LEU A 31 7.294 -1.865 4.597 1.00 0.00 C ATOM 482 O LEU A 31 6.702 -2.875 4.217 1.00 0.00 O ATOM 483 CB LEU A 31 6.178 0.296 4.009 1.00 0.00 C ATOM 484 CG LEU A 31 5.132 -0.220 3.019 1.00 0.00 C ATOM 485 CD1 LEU A 31 3.774 -0.338 3.694 1.00 0.00 C ATOM 486 CD2 LEU A 31 5.050 0.695 1.808 1.00 0.00 C ATOM 0 H LEU A 31 7.697 0.909 5.877 1.00 0.00 H new ATOM 0 HA LEU A 31 5.603 -1.029 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.817 1.229 4.442 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.090 0.531 3.461 1.00 0.00 H new ATOM 0 HG LEU A 31 5.434 -1.211 2.681 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.041 -0.706 2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.843 -1.033 4.531 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.463 0.641 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.301 0.313 1.114 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.770 1.698 2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.020 0.730 1.312 1.00 0.00 H new ATOM 498 N LEU A 32 8.617 -1.745 4.557 1.00 0.00 N ATOM 499 CA LEU A 32 9.467 -2.817 4.055 1.00 0.00 C ATOM 500 C LEU A 32 9.351 -4.060 4.932 1.00 0.00 C ATOM 501 O LEU A 32 9.192 -5.173 4.431 1.00 0.00 O ATOM 502 CB LEU A 32 10.923 -2.356 3.994 1.00 0.00 C ATOM 503 CG LEU A 32 11.312 -1.606 2.718 1.00 0.00 C ATOM 504 CD1 LEU A 32 12.546 -0.750 2.957 1.00 0.00 C ATOM 505 CD2 LEU A 32 11.552 -2.583 1.577 1.00 0.00 C ATOM 0 H LEU A 32 9.123 -0.915 4.867 1.00 0.00 H new ATOM 0 HA LEU A 32 9.132 -3.071 3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.120 -1.711 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.569 -3.228 4.096 1.00 0.00 H new ATOM 0 HG LEU A 32 10.488 -0.949 2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 32 12.808 -0.224 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.339 -0.025 3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.377 -1.387 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.828 -2.032 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.358 -3.265 1.846 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.642 -3.153 1.389 1.00 0.00 H new ATOM 517 N LEU A 33 9.431 -3.861 6.243 1.00 0.00 N ATOM 518 CA LEU A 33 9.335 -4.967 7.190 1.00 0.00 C ATOM 519 C LEU A 33 7.977 -5.652 7.090 1.00 0.00 C ATOM 520 O LEU A 33 7.890 -6.879 7.065 1.00 0.00 O ATOM 521 CB LEU A 33 9.561 -4.464 8.618 1.00 0.00 C ATOM 522 CG LEU A 33 10.993 -4.025 8.930 1.00 0.00 C ATOM 523 CD1 LEU A 33 10.993 -2.835 9.878 1.00 0.00 C ATOM 524 CD2 LEU A 33 11.785 -5.179 9.524 1.00 0.00 C ATOM 0 H LEU A 33 9.562 -2.946 6.674 1.00 0.00 H new ATOM 0 HA LEU A 33 10.108 -5.694 6.941 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.891 -3.624 8.801 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.279 -5.254 9.314 1.00 0.00 H new ATOM 0 HG LEU A 33 11.471 -3.722 7.998 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.020 -2.537 10.088 1.00 0.00 H new ATOM 0 HD12 LEU A 33 10.461 -2.003 9.417 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.498 -3.111 10.809 1.00 0.00 H new ATOM 0 HD21 LEU A 33 12.801 -4.850 9.740 1.00 0.00 H new ATOM 0 HD22 LEU A 33 11.308 -5.512 10.446 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.815 -6.004 8.813 1.00 0.00 H new ATOM 536 N ARG A 34 6.918 -4.850 7.035 1.00 0.00 N ATOM 537 CA ARG A 34 5.563 -5.380 6.937 1.00 0.00 C ATOM 538 C ARG A 34 5.378 -6.170 5.645 1.00 0.00 C ATOM 539 O ARG A 34 4.758 -7.233 5.639 1.00 0.00 O ATOM 540 CB ARG A 34 4.543 -4.241 7.005 1.00 0.00 C ATOM 541 CG ARG A 34 3.354 -4.542 7.901 1.00 0.00 C ATOM 542 CD ARG A 34 2.635 -5.810 7.468 1.00 0.00 C ATOM 543 NE ARG A 34 1.184 -5.642 7.458 1.00 0.00 N ATOM 544 CZ ARG A 34 0.451 -5.462 8.554 1.00 0.00 C ATOM 545 NH1 ARG A 34 1.028 -5.428 9.749 1.00 0.00 N ATOM 546 NH2 ARG A 34 -0.864 -5.317 8.456 1.00 0.00 N ATOM 0 H ARG A 34 6.972 -3.832 7.057 1.00 0.00 H new ATOM 0 HA ARG A 34 5.401 -6.055 7.778 1.00 0.00 H new ATOM 0 HB2 ARG A 34 5.040 -3.340 7.365 1.00 0.00 H new ATOM 0 HB3 ARG A 34 4.184 -4.026 5.999 1.00 0.00 H new ATOM 0 HG2 ARG A 34 3.692 -4.648 8.932 1.00 0.00 H new ATOM 0 HG3 ARG A 34 2.659 -3.703 7.878 1.00 0.00 H new ATOM 0 HD2 ARG A 34 2.973 -6.096 6.472 1.00 0.00 H new ATOM 0 HD3 ARG A 34 2.901 -6.625 8.141 1.00 0.00 H new ATOM 0 HE ARG A 34 0.704 -5.664 6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 34 2.039 -5.540 9.831 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.461 -5.290 10.585 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.313 -5.344 7.541 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -1.426 -5.179 9.296 1.00 0.00 H new ATOM 560 N LEU A 35 5.920 -5.643 4.552 1.00 0.00 N ATOM 561 CA LEU A 35 5.815 -6.298 3.254 1.00 0.00 C ATOM 562 C LEU A 35 6.639 -7.582 3.223 1.00 0.00 C ATOM 563 O LEU A 35 6.180 -8.614 2.735 1.00 0.00 O ATOM 564 CB LEU A 35 6.280 -5.354 2.143 1.00 0.00 C ATOM 565 CG LEU A 35 5.311 -4.219 1.810 1.00 0.00 C ATOM 566 CD1 LEU A 35 5.889 -3.325 0.724 1.00 0.00 C ATOM 567 CD2 LEU A 35 3.963 -4.779 1.382 1.00 0.00 C ATOM 0 H LEU A 35 6.437 -4.764 4.540 1.00 0.00 H new ATOM 0 HA LEU A 35 4.769 -6.555 3.089 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.237 -4.921 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 35 6.455 -5.939 1.240 1.00 0.00 H new ATOM 0 HG LEU A 35 5.164 -3.617 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 35 5.186 -2.523 0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 35 6.830 -2.896 1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 35 6.066 -3.914 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.285 -3.958 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 35 4.093 -5.405 0.499 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.544 -5.377 2.191 1.00 0.00 H new ATOM 579 N GLN A 36 7.858 -7.508 3.748 1.00 0.00 N ATOM 580 CA GLN A 36 8.747 -8.664 3.781 1.00 0.00 C ATOM 581 C GLN A 36 8.120 -9.813 4.566 1.00 0.00 C ATOM 582 O GLN A 36 8.381 -10.983 4.288 1.00 0.00 O ATOM 583 CB GLN A 36 10.094 -8.279 4.398 1.00 0.00 C ATOM 584 CG GLN A 36 11.287 -8.643 3.530 1.00 0.00 C ATOM 585 CD GLN A 36 12.476 -9.118 4.342 1.00 0.00 C ATOM 586 OE1 GLN A 36 12.334 -9.514 5.498 1.00 0.00 O ATOM 587 NE2 GLN A 36 13.659 -9.078 3.739 1.00 0.00 N ATOM 0 H GLN A 36 8.252 -6.660 4.156 1.00 0.00 H new ATOM 0 HA GLN A 36 8.908 -8.998 2.756 1.00 0.00 H new ATOM 0 HB2 GLN A 36 10.105 -7.205 4.584 1.00 0.00 H new ATOM 0 HB3 GLN A 36 10.195 -8.771 5.365 1.00 0.00 H new ATOM 0 HG2 GLN A 36 10.996 -9.424 2.828 1.00 0.00 H new ATOM 0 HG3 GLN A 36 11.579 -7.775 2.938 1.00 0.00 H new ATOM 0 HE21 GLN A 36 13.731 -8.742 2.779 1.00 0.00 H new ATOM 0 HE22 GLN A 36 14.496 -9.383 4.236 1.00 0.00 H new ATOM 596 N LYS A 37 7.292 -9.469 5.548 1.00 0.00 N ATOM 597 CA LYS A 37 6.628 -10.473 6.372 1.00 0.00 C ATOM 598 C LYS A 37 5.760 -11.392 5.520 1.00 0.00 C ATOM 599 O LYS A 37 5.597 -12.572 5.829 1.00 0.00 O ATOM 600 CB LYS A 37 5.774 -9.796 7.446 1.00 0.00 C ATOM 601 CG LYS A 37 6.562 -9.381 8.678 1.00 0.00 C ATOM 602 CD LYS A 37 5.643 -8.920 9.798 1.00 0.00 C ATOM 603 CE LYS A 37 6.381 -8.048 10.800 1.00 0.00 C ATOM 604 NZ LYS A 37 5.451 -7.170 11.563 1.00 0.00 N ATOM 0 H LYS A 37 7.065 -8.505 5.792 1.00 0.00 H new ATOM 0 HA LYS A 37 7.397 -11.077 6.854 1.00 0.00 H new ATOM 0 HB2 LYS A 37 5.296 -8.915 7.017 1.00 0.00 H new ATOM 0 HB3 LYS A 37 4.977 -10.476 7.747 1.00 0.00 H new ATOM 0 HG2 LYS A 37 7.167 -10.219 9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.251 -8.577 8.417 1.00 0.00 H new ATOM 0 HD2 LYS A 37 4.805 -8.364 9.377 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.225 -9.788 10.308 1.00 0.00 H new ATOM 0 HE2 LYS A 37 6.934 -8.681 11.494 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.113 -7.433 10.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.993 -6.591 12.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.941 -6.548 10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.768 -7.757 12.083 1.00 0.00 H new ATOM 618 N ASP A 38 5.205 -10.843 4.443 1.00 0.00 N ATOM 619 CA ASP A 38 4.355 -11.615 3.545 1.00 0.00 C ATOM 620 C ASP A 38 4.987 -11.729 2.162 1.00 0.00 C ATOM 621 O ASP A 38 4.287 -11.808 1.152 1.00 0.00 O ATOM 622 CB ASP A 38 2.973 -10.966 3.434 1.00 0.00 C ATOM 623 CG ASP A 38 2.014 -11.464 4.497 1.00 0.00 C ATOM 624 OD1 ASP A 38 2.181 -11.083 5.674 1.00 0.00 O ATOM 625 OD2 ASP A 38 1.094 -12.237 4.152 1.00 0.00 O ATOM 0 H ASP A 38 5.329 -9.867 4.172 1.00 0.00 H new ATOM 0 HA ASP A 38 4.247 -12.617 3.960 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.075 -9.884 3.518 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.556 -11.171 2.448 1.00 0.00 H new ATOM 630 N GLY A 39 6.316 -11.739 2.123 1.00 0.00 N ATOM 631 CA GLY A 39 7.021 -11.843 0.858 1.00 0.00 C ATOM 632 C GLY A 39 7.420 -10.491 0.302 1.00 0.00 C ATOM 633 O GLY A 39 6.597 -9.578 0.219 1.00 0.00 O ATOM 0 H GLY A 39 6.917 -11.677 2.945 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.913 -12.454 0.992 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.388 -12.357 0.135 1.00 0.00 H new ATOM 637 N LEU A 40 8.686 -10.360 -0.078 1.00 0.00 N ATOM 638 CA LEU A 40 9.193 -9.109 -0.631 1.00 0.00 C ATOM 639 C LEU A 40 10.474 -9.345 -1.425 1.00 0.00 C ATOM 640 O LEU A 40 11.577 -9.247 -0.887 1.00 0.00 O ATOM 641 CB LEU A 40 9.454 -8.100 0.489 1.00 0.00 C ATOM 642 CG LEU A 40 9.942 -6.727 0.025 1.00 0.00 C ATOM 643 CD1 LEU A 40 8.791 -5.919 -0.554 1.00 0.00 C ATOM 644 CD2 LEU A 40 10.596 -5.978 1.175 1.00 0.00 C ATOM 0 H LEU A 40 9.380 -11.104 -0.013 1.00 0.00 H new ATOM 0 HA LEU A 40 8.437 -8.706 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU A 40 8.535 -7.968 1.059 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.194 -8.520 1.170 1.00 0.00 H new ATOM 0 HG LEU A 40 10.686 -6.872 -0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 40 9.157 -4.945 -0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 40 8.366 -6.450 -1.406 1.00 0.00 H new ATOM 0 HD13 LEU A 40 8.023 -5.782 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.937 -5.003 0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.873 -5.843 1.979 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.447 -6.550 1.544 1.00 0.00 H new ATOM 656 N THR A 41 10.320 -9.657 -2.708 1.00 0.00 N ATOM 657 CA THR A 41 11.464 -9.908 -3.576 1.00 0.00 C ATOM 658 C THR A 41 12.164 -8.604 -3.944 1.00 0.00 C ATOM 659 O THR A 41 11.776 -7.528 -3.486 1.00 0.00 O ATOM 660 CB THR A 41 11.017 -10.635 -4.845 1.00 0.00 C ATOM 661 OG1 THR A 41 12.122 -10.891 -5.693 1.00 0.00 O ATOM 662 CG2 THR A 41 9.992 -9.863 -5.648 1.00 0.00 C ATOM 0 H THR A 41 9.414 -9.742 -3.169 1.00 0.00 H new ATOM 0 HA THR A 41 12.169 -10.538 -3.033 1.00 0.00 H new ATOM 0 HB THR A 41 10.561 -11.563 -4.500 1.00 0.00 H new ATOM 0 HG1 THR A 41 11.815 -11.358 -6.498 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.718 -10.435 -6.535 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.105 -9.693 -5.038 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.414 -8.904 -5.951 1.00 0.00 H new ATOM 670 N GLN A 42 13.198 -8.706 -4.773 1.00 0.00 N ATOM 671 CA GLN A 42 13.952 -7.534 -5.201 1.00 0.00 C ATOM 672 C GLN A 42 13.061 -6.565 -5.972 1.00 0.00 C ATOM 673 O GLN A 42 13.099 -5.356 -5.743 1.00 0.00 O ATOM 674 CB GLN A 42 15.139 -7.957 -6.070 1.00 0.00 C ATOM 675 CG GLN A 42 16.443 -8.085 -5.299 1.00 0.00 C ATOM 676 CD GLN A 42 17.457 -7.025 -5.683 1.00 0.00 C ATOM 677 OE1 GLN A 42 18.648 -7.306 -5.813 1.00 0.00 O ATOM 678 NE2 GLN A 42 16.987 -5.796 -5.868 1.00 0.00 N ATOM 0 H GLN A 42 13.532 -9.588 -5.161 1.00 0.00 H new ATOM 0 HA GLN A 42 14.324 -7.026 -4.311 1.00 0.00 H new ATOM 0 HB2 GLN A 42 14.911 -8.913 -6.542 1.00 0.00 H new ATOM 0 HB3 GLN A 42 15.270 -7.229 -6.871 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.237 -8.015 -4.231 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.870 -9.072 -5.477 1.00 0.00 H new ATOM 0 HE21 GLN A 42 15.992 -5.607 -5.750 1.00 0.00 H new ATOM 0 HE22 GLN A 42 17.622 -5.041 -6.128 1.00 0.00 H new ATOM 687 N ALA A 43 12.261 -7.103 -6.886 1.00 0.00 N ATOM 688 CA ALA A 43 11.360 -6.286 -7.690 1.00 0.00 C ATOM 689 C ALA A 43 10.384 -5.513 -6.810 1.00 0.00 C ATOM 690 O ALA A 43 9.943 -4.420 -7.166 1.00 0.00 O ATOM 691 CB ALA A 43 10.603 -7.156 -8.682 1.00 0.00 C ATOM 0 H ALA A 43 12.218 -8.102 -7.089 1.00 0.00 H new ATOM 0 HA ALA A 43 11.961 -5.563 -8.241 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.934 -6.533 -9.276 1.00 0.00 H new ATOM 0 HB2 ALA A 43 11.312 -7.658 -9.341 1.00 0.00 H new ATOM 0 HB3 ALA A 43 10.020 -7.902 -8.141 1.00 0.00 H new ATOM 697 N ASP A 44 10.049 -6.088 -5.659 1.00 0.00 N ATOM 698 CA ASP A 44 9.123 -5.452 -4.728 1.00 0.00 C ATOM 699 C ASP A 44 9.839 -4.410 -3.875 1.00 0.00 C ATOM 700 O ASP A 44 9.245 -3.409 -3.473 1.00 0.00 O ATOM 701 CB ASP A 44 8.469 -6.503 -3.830 1.00 0.00 C ATOM 702 CG ASP A 44 7.591 -7.462 -4.608 1.00 0.00 C ATOM 703 OD1 ASP A 44 7.182 -7.111 -5.735 1.00 0.00 O ATOM 704 OD2 ASP A 44 7.311 -8.564 -4.092 1.00 0.00 O ATOM 0 H ASP A 44 10.405 -6.992 -5.349 1.00 0.00 H new ATOM 0 HA ASP A 44 8.350 -4.949 -5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.244 -7.065 -3.309 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.871 -6.004 -3.068 1.00 0.00 H new ATOM 709 N LYS A 45 11.116 -4.651 -3.602 1.00 0.00 N ATOM 710 CA LYS A 45 11.913 -3.733 -2.796 1.00 0.00 C ATOM 711 C LYS A 45 12.299 -2.496 -3.601 1.00 0.00 C ATOM 712 O LYS A 45 12.278 -1.377 -3.088 1.00 0.00 O ATOM 713 CB LYS A 45 13.170 -4.436 -2.278 1.00 0.00 C ATOM 714 CG LYS A 45 13.072 -4.864 -0.822 1.00 0.00 C ATOM 715 CD LYS A 45 14.444 -5.136 -0.229 1.00 0.00 C ATOM 716 CE LYS A 45 15.195 -3.845 0.055 1.00 0.00 C ATOM 717 NZ LYS A 45 16.635 -4.091 0.339 1.00 0.00 N ATOM 0 H LYS A 45 11.622 -5.475 -3.927 1.00 0.00 H new ATOM 0 HA LYS A 45 11.309 -3.415 -1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.365 -5.314 -2.894 1.00 0.00 H new ATOM 0 HB3 LYS A 45 14.024 -3.769 -2.395 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.573 -4.085 -0.245 1.00 0.00 H new ATOM 0 HG3 LYS A 45 12.457 -5.761 -0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 45 14.336 -5.706 0.694 1.00 0.00 H new ATOM 0 HD3 LYS A 45 15.023 -5.751 -0.917 1.00 0.00 H new ATOM 0 HE2 LYS A 45 15.103 -3.176 -0.801 1.00 0.00 H new ATOM 0 HE3 LYS A 45 14.739 -3.339 0.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 17.111 -3.186 0.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 16.724 -4.709 1.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 17.077 -4.550 -0.482 1.00 0.00 H new ATOM 731 N ASP A 46 12.655 -2.705 -4.865 1.00 0.00 N ATOM 732 CA ASP A 46 13.048 -1.607 -5.741 1.00 0.00 C ATOM 733 C ASP A 46 11.829 -0.813 -6.201 1.00 0.00 C ATOM 734 O ASP A 46 11.861 0.416 -6.260 1.00 0.00 O ATOM 735 CB ASP A 46 13.813 -2.144 -6.953 1.00 0.00 C ATOM 736 CG ASP A 46 15.090 -1.371 -7.218 1.00 0.00 C ATOM 737 OD1 ASP A 46 15.008 -0.145 -7.438 1.00 0.00 O ATOM 738 OD2 ASP A 46 16.173 -1.993 -7.206 1.00 0.00 O ATOM 0 H ASP A 46 12.679 -3.625 -5.305 1.00 0.00 H new ATOM 0 HA ASP A 46 13.699 -0.939 -5.177 1.00 0.00 H new ATOM 0 HB2 ASP A 46 14.054 -3.195 -6.791 1.00 0.00 H new ATOM 0 HB3 ASP A 46 13.173 -2.096 -7.834 1.00 0.00 H new ATOM 743 N ALA A 47 10.755 -1.525 -6.527 1.00 0.00 N ATOM 744 CA ALA A 47 9.525 -0.888 -6.983 1.00 0.00 C ATOM 745 C ALA A 47 8.839 -0.130 -5.851 1.00 0.00 C ATOM 746 O ALA A 47 8.087 0.814 -6.089 1.00 0.00 O ATOM 747 CB ALA A 47 8.582 -1.927 -7.572 1.00 0.00 C ATOM 0 H ALA A 47 10.712 -2.543 -6.484 1.00 0.00 H new ATOM 0 HA ALA A 47 9.787 -0.166 -7.757 1.00 0.00 H new ATOM 0 HB1 ALA A 47 7.667 -1.439 -7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 47 9.064 -2.418 -8.418 1.00 0.00 H new ATOM 0 HB3 ALA A 47 8.338 -2.669 -6.812 1.00 0.00 H new ATOM 753 N LEU A 48 9.102 -0.551 -4.616 1.00 0.00 N ATOM 754 CA LEU A 48 8.507 0.088 -3.447 1.00 0.00 C ATOM 755 C LEU A 48 8.828 1.580 -3.415 1.00 0.00 C ATOM 756 O LEU A 48 7.933 2.414 -3.284 1.00 0.00 O ATOM 757 CB LEU A 48 9.008 -0.580 -2.165 1.00 0.00 C ATOM 758 CG LEU A 48 8.451 0.009 -0.868 1.00 0.00 C ATOM 759 CD1 LEU A 48 6.965 -0.292 -0.742 1.00 0.00 C ATOM 760 CD2 LEU A 48 9.211 -0.534 0.333 1.00 0.00 C ATOM 0 H LEU A 48 9.723 -1.331 -4.400 1.00 0.00 H new ATOM 0 HA LEU A 48 7.425 -0.030 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.755 -1.640 -2.203 1.00 0.00 H new ATOM 0 HB3 LEU A 48 10.096 -0.512 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 48 8.581 1.091 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.585 0.134 0.186 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.432 0.145 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.812 -1.371 -0.735 1.00 0.00 H new ATOM 0 HD21 LEU A 48 8.802 -0.104 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.112 -1.619 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 48 10.265 -0.268 0.247 1.00 0.00 H new ATOM 772 N ASP A 49 10.111 1.907 -3.533 1.00 0.00 N ATOM 773 CA ASP A 49 10.549 3.299 -3.515 1.00 0.00 C ATOM 774 C ASP A 49 9.898 4.090 -4.645 1.00 0.00 C ATOM 775 O ASP A 49 9.635 5.285 -4.508 1.00 0.00 O ATOM 776 CB ASP A 49 12.073 3.377 -3.635 1.00 0.00 C ATOM 777 CG ASP A 49 12.636 4.647 -3.028 1.00 0.00 C ATOM 778 OD1 ASP A 49 11.980 5.704 -3.148 1.00 0.00 O ATOM 779 OD2 ASP A 49 13.733 4.586 -2.435 1.00 0.00 O ATOM 0 H ASP A 49 10.865 1.229 -3.642 1.00 0.00 H new ATOM 0 HA ASP A 49 10.242 3.738 -2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.518 2.513 -3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.355 3.324 -4.686 1.00 0.00 H new ATOM 784 N GLY A 50 9.642 3.417 -5.762 1.00 0.00 N ATOM 785 CA GLY A 50 9.026 4.074 -6.900 1.00 0.00 C ATOM 786 C GLY A 50 7.515 4.145 -6.784 1.00 0.00 C ATOM 787 O GLY A 50 6.882 5.017 -7.378 1.00 0.00 O ATOM 0 H GLY A 50 9.850 2.428 -5.899 1.00 0.00 H new ATOM 0 HA2 GLY A 50 9.427 5.083 -6.994 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.292 3.539 -7.812 1.00 0.00 H new ATOM 791 N LEU A 51 6.937 3.225 -6.019 1.00 0.00 N ATOM 792 CA LEU A 51 5.490 3.189 -5.830 1.00 0.00 C ATOM 793 C LEU A 51 5.055 4.167 -4.744 1.00 0.00 C ATOM 794 O LEU A 51 4.010 4.808 -4.855 1.00 0.00 O ATOM 795 CB LEU A 51 5.039 1.771 -5.471 1.00 0.00 C ATOM 796 CG LEU A 51 3.794 1.281 -6.214 1.00 0.00 C ATOM 797 CD1 LEU A 51 4.189 0.494 -7.453 1.00 0.00 C ATOM 798 CD2 LEU A 51 2.923 0.433 -5.297 1.00 0.00 C ATOM 0 H LEU A 51 7.446 2.495 -5.520 1.00 0.00 H new ATOM 0 HA LEU A 51 5.019 3.487 -6.766 1.00 0.00 H new ATOM 0 HB2 LEU A 51 5.859 1.083 -5.674 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.845 1.728 -4.399 1.00 0.00 H new ATOM 0 HG LEU A 51 3.216 2.150 -6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.291 0.153 -7.969 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.771 1.132 -8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.789 -0.368 -7.161 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.043 0.094 -5.843 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.491 -0.431 -4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.611 1.028 -4.439 1.00 0.00 H new ATOM 810 N LEU A 52 5.862 4.278 -3.694 1.00 0.00 N ATOM 811 CA LEU A 52 5.559 5.178 -2.588 1.00 0.00 C ATOM 812 C LEU A 52 5.468 6.624 -3.069 1.00 0.00 C ATOM 813 O LEU A 52 4.732 7.431 -2.502 1.00 0.00 O ATOM 814 CB LEU A 52 6.626 5.059 -1.497 1.00 0.00 C ATOM 815 CG LEU A 52 6.616 3.740 -0.722 1.00 0.00 C ATOM 816 CD1 LEU A 52 7.795 3.676 0.236 1.00 0.00 C ATOM 817 CD2 LEU A 52 5.305 3.576 0.031 1.00 0.00 C ATOM 0 H LEU A 52 6.731 3.755 -3.586 1.00 0.00 H new ATOM 0 HA LEU A 52 4.592 4.890 -2.175 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.607 5.187 -1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.495 5.879 -0.791 1.00 0.00 H new ATOM 0 HG LEU A 52 6.708 2.920 -1.434 1.00 0.00 H new ATOM 0 HD11 LEU A 52 7.772 2.731 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.726 3.748 -0.327 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.734 4.503 0.944 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.315 2.633 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.183 4.401 0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.476 3.577 -0.677 1.00 0.00 H new ATOM 829 N GLN A 53 6.221 6.942 -4.116 1.00 0.00 N ATOM 830 CA GLN A 53 6.227 8.290 -4.673 1.00 0.00 C ATOM 831 C GLN A 53 5.067 8.494 -5.645 1.00 0.00 C ATOM 832 O GLN A 53 4.706 9.628 -5.963 1.00 0.00 O ATOM 833 CB GLN A 53 7.554 8.564 -5.381 1.00 0.00 C ATOM 834 CG GLN A 53 8.759 8.519 -4.457 1.00 0.00 C ATOM 835 CD GLN A 53 9.723 9.663 -4.697 1.00 0.00 C ATOM 836 OE1 GLN A 53 10.430 9.694 -5.705 1.00 0.00 O ATOM 837 NE2 GLN A 53 9.759 10.612 -3.770 1.00 0.00 N ATOM 0 H GLN A 53 6.835 6.285 -4.596 1.00 0.00 H new ATOM 0 HA GLN A 53 6.107 8.993 -3.848 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.689 7.831 -6.176 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.507 9.544 -5.855 1.00 0.00 H new ATOM 0 HG2 GLN A 53 8.419 8.547 -3.422 1.00 0.00 H new ATOM 0 HG3 GLN A 53 9.283 7.573 -4.595 1.00 0.00 H new ATOM 0 HE21 GLN A 53 9.156 10.547 -2.950 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.390 11.406 -3.878 1.00 0.00 H new ATOM 846 N GLN A 54 4.486 7.394 -6.117 1.00 0.00 N ATOM 847 CA GLN A 54 3.371 7.464 -7.056 1.00 0.00 C ATOM 848 C GLN A 54 2.039 7.253 -6.342 1.00 0.00 C ATOM 849 O GLN A 54 1.135 8.082 -6.439 1.00 0.00 O ATOM 850 CB GLN A 54 3.542 6.419 -8.160 1.00 0.00 C ATOM 851 CG GLN A 54 4.315 6.930 -9.365 1.00 0.00 C ATOM 852 CD GLN A 54 3.756 6.414 -10.677 1.00 0.00 C ATOM 853 OE1 GLN A 54 4.488 5.880 -11.510 1.00 0.00 O ATOM 854 NE2 GLN A 54 2.451 6.573 -10.868 1.00 0.00 N ATOM 0 H GLN A 54 4.768 6.447 -5.865 1.00 0.00 H new ATOM 0 HA GLN A 54 3.368 8.459 -7.502 1.00 0.00 H new ATOM 0 HB2 GLN A 54 4.057 5.550 -7.750 1.00 0.00 H new ATOM 0 HB3 GLN A 54 2.558 6.082 -8.486 1.00 0.00 H new ATOM 0 HG2 GLN A 54 4.295 8.020 -9.369 1.00 0.00 H new ATOM 0 HG3 GLN A 54 5.359 6.630 -9.276 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.881 7.021 -10.150 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.019 6.247 -11.732 1.00 0.00 H new ATOM 863 N VAL A 55 1.922 6.135 -5.631 1.00 0.00 N ATOM 864 CA VAL A 55 0.697 5.816 -4.908 1.00 0.00 C ATOM 865 C VAL A 55 0.795 6.223 -3.440 1.00 0.00 C ATOM 866 O VAL A 55 0.181 5.601 -2.573 1.00 0.00 O ATOM 867 CB VAL A 55 0.373 4.313 -4.991 1.00 0.00 C ATOM 868 CG1 VAL A 55 0.084 3.907 -6.427 1.00 0.00 C ATOM 869 CG2 VAL A 55 1.513 3.487 -4.414 1.00 0.00 C ATOM 0 H VAL A 55 2.660 5.437 -5.541 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.104 6.382 -5.383 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.520 4.120 -4.397 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -0.143 2.842 -6.465 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.769 4.473 -6.800 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.956 4.115 -7.046 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.265 2.428 -4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.426 3.683 -4.977 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.666 3.758 -3.369 1.00 0.00 H new ATOM 879 N ALA A 56 1.567 7.270 -3.168 1.00 0.00 N ATOM 880 CA ALA A 56 1.739 7.757 -1.805 1.00 0.00 C ATOM 881 C ALA A 56 2.581 9.028 -1.774 1.00 0.00 C ATOM 882 O ALA A 56 3.216 9.387 -2.765 1.00 0.00 O ATOM 883 CB ALA A 56 2.373 6.680 -0.935 1.00 0.00 C ATOM 0 H ALA A 56 2.083 7.797 -3.873 1.00 0.00 H new ATOM 0 HA ALA A 56 0.753 7.998 -1.407 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.495 7.058 0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.730 5.800 -0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.348 6.411 -1.342 1.00 0.00 H new ATOM 889 N ASN A 57 2.577 9.705 -0.630 1.00 0.00 N ATOM 890 CA ASN A 57 3.340 10.937 -0.469 1.00 0.00 C ATOM 891 C ASN A 57 4.434 10.764 0.581 1.00 0.00 C ATOM 892 O ASN A 57 4.629 9.672 1.115 1.00 0.00 O ATOM 893 CB ASN A 57 2.413 12.086 -0.070 1.00 0.00 C ATOM 894 CG ASN A 57 1.887 12.848 -1.272 1.00 0.00 C ATOM 895 OD1 ASN A 57 2.434 13.882 -1.654 1.00 0.00 O ATOM 896 ND2 ASN A 57 0.820 12.337 -1.874 1.00 0.00 N ATOM 0 H ASN A 57 2.054 9.421 0.199 1.00 0.00 H new ATOM 0 HA ASN A 57 3.810 11.173 -1.424 1.00 0.00 H new ATOM 0 HB2 ASN A 57 1.574 11.690 0.502 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.950 12.772 0.585 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.421 12.804 -2.688 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.399 11.477 -1.522 1.00 0.00 H new ATOM 903 N MET A 58 5.146 11.849 0.871 1.00 0.00 N ATOM 904 CA MET A 58 6.220 11.815 1.856 1.00 0.00 C ATOM 905 C MET A 58 6.310 13.139 2.609 1.00 0.00 C ATOM 906 O MET A 58 5.686 14.127 2.223 1.00 0.00 O ATOM 907 CB MET A 58 7.555 11.508 1.175 1.00 0.00 C ATOM 908 CG MET A 58 8.463 10.606 1.994 1.00 0.00 C ATOM 909 SD MET A 58 9.886 10.018 1.058 1.00 0.00 S ATOM 910 CE MET A 58 9.404 8.322 0.739 1.00 0.00 C ATOM 0 H MET A 58 4.998 12.761 0.438 1.00 0.00 H new ATOM 0 HA MET A 58 5.997 11.025 2.574 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.362 11.036 0.211 1.00 0.00 H new ATOM 0 HB3 MET A 58 8.074 12.445 0.973 1.00 0.00 H new ATOM 0 HG2 MET A 58 8.811 11.149 2.873 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.891 9.751 2.353 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.186 7.823 0.166 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.259 7.801 1.685 1.00 0.00 H new ATOM 0 HE3 MET A 58 8.474 8.309 0.171 1.00 0.00 H new ATOM 920 N SER A 59 7.091 13.149 3.683 1.00 0.00 N ATOM 921 CA SER A 59 7.264 14.352 4.490 1.00 0.00 C ATOM 922 C SER A 59 8.724 14.533 4.892 1.00 0.00 C ATOM 923 O SER A 59 9.550 13.645 4.683 1.00 0.00 O ATOM 924 CB SER A 59 6.383 14.283 5.739 1.00 0.00 C ATOM 925 OG SER A 59 6.218 15.566 6.319 1.00 0.00 O ATOM 0 H SER A 59 7.614 12.339 4.015 1.00 0.00 H new ATOM 0 HA SER A 59 6.964 15.210 3.888 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.408 13.871 5.478 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.831 13.606 6.467 1.00 0.00 H new ATOM 0 HG SER A 59 5.650 15.495 7.114 1.00 0.00 H new ATOM 931 N ALA A 60 9.034 15.689 5.470 1.00 0.00 N ATOM 932 CA ALA A 60 10.395 15.986 5.902 1.00 0.00 C ATOM 933 C ALA A 60 10.504 15.972 7.423 1.00 0.00 C ATOM 934 O ALA A 60 11.550 15.637 7.977 1.00 0.00 O ATOM 935 CB ALA A 60 10.840 17.332 5.352 1.00 0.00 C ATOM 0 H ALA A 60 8.362 16.435 5.650 1.00 0.00 H new ATOM 0 HA ALA A 60 11.052 15.210 5.510 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.858 17.541 5.682 1.00 0.00 H new ATOM 0 HB2 ALA A 60 10.809 17.308 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 60 10.172 18.113 5.717 1.00 0.00 H new ATOM 941 N LYS A 61 9.415 16.338 8.092 1.00 0.00 N ATOM 942 CA LYS A 61 9.390 16.368 9.551 1.00 0.00 C ATOM 943 C LYS A 61 9.603 14.972 10.126 1.00 0.00 C ATOM 944 O LYS A 61 10.267 14.807 11.150 1.00 0.00 O ATOM 945 CB LYS A 61 8.060 16.942 10.046 1.00 0.00 C ATOM 946 CG LYS A 61 8.124 18.424 10.377 1.00 0.00 C ATOM 947 CD LYS A 61 9.154 18.710 11.458 1.00 0.00 C ATOM 948 CE LYS A 61 8.647 19.742 12.453 1.00 0.00 C ATOM 949 NZ LYS A 61 9.760 20.385 13.203 1.00 0.00 N ATOM 0 H LYS A 61 8.540 16.617 7.649 1.00 0.00 H new ATOM 0 HA LYS A 61 10.203 17.009 9.893 1.00 0.00 H new ATOM 0 HB2 LYS A 61 7.298 16.781 9.284 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.744 16.393 10.933 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.372 18.988 9.478 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.143 18.767 10.708 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.398 17.786 11.983 1.00 0.00 H new ATOM 0 HD3 LYS A 61 10.075 19.068 10.998 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.077 20.506 11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.965 19.264 13.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.372 21.082 13.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.289 19.660 13.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.398 20.863 12.535 1.00 0.00 H new ATOM 963 N ASP A 62 9.036 13.970 9.463 1.00 0.00 N ATOM 964 CA ASP A 62 9.164 12.587 9.909 1.00 0.00 C ATOM 965 C ASP A 62 9.747 11.711 8.804 1.00 0.00 C ATOM 966 O ASP A 62 10.848 11.178 8.937 1.00 0.00 O ATOM 967 CB ASP A 62 7.804 12.041 10.345 1.00 0.00 C ATOM 968 CG ASP A 62 7.925 10.759 11.145 1.00 0.00 C ATOM 969 OD1 ASP A 62 8.391 9.748 10.579 1.00 0.00 O ATOM 970 OD2 ASP A 62 7.555 10.766 12.338 1.00 0.00 O ATOM 0 H ASP A 62 8.483 14.090 8.614 1.00 0.00 H new ATOM 0 HA ASP A 62 9.844 12.568 10.760 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.289 12.792 10.944 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.189 11.859 9.464 1.00 0.00 H new ATOM 975 N GLY A 63 9.000 11.568 7.714 1.00 0.00 N ATOM 976 CA GLY A 63 9.460 10.758 6.600 1.00 0.00 C ATOM 977 C GLY A 63 8.600 9.528 6.384 1.00 0.00 C ATOM 978 O GLY A 63 9.094 8.482 5.964 1.00 0.00 O ATOM 0 H GLY A 63 8.085 11.998 7.582 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.461 11.361 5.692 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.490 10.450 6.779 1.00 0.00 H new ATOM 982 N THR A 64 7.308 9.654 6.672 1.00 0.00 N ATOM 983 CA THR A 64 6.377 8.544 6.507 1.00 0.00 C ATOM 984 C THR A 64 5.693 8.603 5.145 1.00 0.00 C ATOM 985 O THR A 64 5.704 9.638 4.479 1.00 0.00 O ATOM 986 CB THR A 64 5.327 8.562 7.619 1.00 0.00 C ATOM 987 OG1 THR A 64 5.864 9.116 8.807 1.00 0.00 O ATOM 988 CG2 THR A 64 4.788 7.188 7.955 1.00 0.00 C ATOM 0 H THR A 64 6.883 10.513 7.020 1.00 0.00 H new ATOM 0 HA THR A 64 6.945 7.616 6.567 1.00 0.00 H new ATOM 0 HB THR A 64 4.509 9.171 7.234 1.00 0.00 H new ATOM 0 HG1 THR A 64 5.177 9.120 9.506 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.048 7.272 8.751 1.00 0.00 H new ATOM 0 HG22 THR A 64 4.322 6.754 7.071 1.00 0.00 H new ATOM 0 HG23 THR A 64 5.605 6.547 8.286 1.00 0.00 H new ATOM 996 N CYS A 65 5.099 7.486 4.738 1.00 0.00 N ATOM 997 CA CYS A 65 4.410 7.410 3.455 1.00 0.00 C ATOM 998 C CYS A 65 2.898 7.430 3.649 1.00 0.00 C ATOM 999 O CYS A 65 2.306 6.447 4.094 1.00 0.00 O ATOM 1000 CB CYS A 65 4.822 6.142 2.705 1.00 0.00 C ATOM 1001 SG CYS A 65 6.610 5.907 2.580 1.00 0.00 S ATOM 0 H CYS A 65 5.081 6.621 5.278 1.00 0.00 H new ATOM 0 HA CYS A 65 4.695 8.281 2.865 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.387 5.278 3.207 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.399 6.173 1.701 1.00 0.00 H new ATOM 0 HG CYS A 65 6.906 4.672 2.859 1.00 0.00 H new ATOM 1007 N THR A 66 2.279 8.556 3.311 1.00 0.00 N ATOM 1008 CA THR A 66 0.834 8.704 3.447 1.00 0.00 C ATOM 1009 C THR A 66 0.137 8.493 2.106 1.00 0.00 C ATOM 1010 O THR A 66 0.560 9.032 1.084 1.00 0.00 O ATOM 1011 CB THR A 66 0.492 10.089 3.999 1.00 0.00 C ATOM 1012 OG1 THR A 66 1.455 11.043 3.590 1.00 0.00 O ATOM 1013 CG2 THR A 66 0.419 10.129 5.510 1.00 0.00 C ATOM 0 H THR A 66 2.755 9.379 2.941 1.00 0.00 H new ATOM 0 HA THR A 66 0.480 7.945 4.144 1.00 0.00 H new ATOM 0 HB THR A 66 -0.493 10.325 3.597 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.218 11.923 3.951 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.173 11.140 5.836 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.351 9.439 5.855 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.382 9.837 5.929 1.00 0.00 H new ATOM 1021 N LEU A 67 -0.933 7.705 2.119 1.00 0.00 N ATOM 1022 CA LEU A 67 -1.689 7.423 0.905 1.00 0.00 C ATOM 1023 C LEU A 67 -2.299 8.700 0.337 1.00 0.00 C ATOM 1024 O LEU A 67 -2.489 9.682 1.055 1.00 0.00 O ATOM 1025 CB LEU A 67 -2.790 6.401 1.192 1.00 0.00 C ATOM 1026 CG LEU A 67 -3.279 5.617 -0.028 1.00 0.00 C ATOM 1027 CD1 LEU A 67 -2.199 4.665 -0.518 1.00 0.00 C ATOM 1028 CD2 LEU A 67 -4.552 4.854 0.307 1.00 0.00 C ATOM 0 H LEU A 67 -1.296 7.251 2.957 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.003 7.009 0.166 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.424 5.694 1.936 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.640 6.920 1.636 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.501 6.324 -0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.564 4.116 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -1.311 5.234 -0.796 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.946 3.962 0.276 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.887 4.302 -0.571 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.355 4.156 1.121 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -5.328 5.557 0.611 1.00 0.00 H new ATOM 1040 N GLN A 68 -2.602 8.681 -0.956 1.00 0.00 N ATOM 1041 CA GLN A 68 -3.190 9.839 -1.620 1.00 0.00 C ATOM 1042 C GLN A 68 -4.693 9.902 -1.374 1.00 0.00 C ATOM 1043 O GLN A 68 -5.297 8.936 -0.907 1.00 0.00 O ATOM 1044 CB GLN A 68 -2.908 9.790 -3.123 1.00 0.00 C ATOM 1045 CG GLN A 68 -1.472 9.425 -3.460 1.00 0.00 C ATOM 1046 CD GLN A 68 -1.072 9.856 -4.858 1.00 0.00 C ATOM 1047 OE1 GLN A 68 -1.799 9.621 -5.824 1.00 0.00 O ATOM 1048 NE2 GLN A 68 0.089 10.489 -4.973 1.00 0.00 N ATOM 0 H GLN A 68 -2.450 7.877 -1.565 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.734 10.736 -1.202 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -3.577 9.065 -3.586 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -3.139 10.762 -3.560 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.803 9.890 -2.735 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -1.344 8.347 -3.366 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.659 10.663 -4.145 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.411 10.802 -5.889 1.00 0.00 H new ATOM 1057 N ASP A 69 -5.292 11.045 -1.690 1.00 0.00 N ATOM 1058 CA ASP A 69 -6.725 11.236 -1.503 1.00 0.00 C ATOM 1059 C ASP A 69 -7.514 10.593 -2.639 1.00 0.00 C ATOM 1060 O ASP A 69 -8.638 10.131 -2.444 1.00 0.00 O ATOM 1061 CB ASP A 69 -7.056 12.727 -1.418 1.00 0.00 C ATOM 1062 CG ASP A 69 -6.669 13.329 -0.081 1.00 0.00 C ATOM 1063 OD1 ASP A 69 -5.470 13.613 0.119 1.00 0.00 O ATOM 1064 OD2 ASP A 69 -7.567 13.517 0.767 1.00 0.00 O ATOM 0 H ASP A 69 -4.806 11.854 -2.077 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.010 10.753 -0.568 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -6.537 13.258 -2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -8.124 12.869 -1.582 1.00 0.00 H new ATOM 1069 N CYS A 70 -6.917 10.565 -3.826 1.00 0.00 N ATOM 1070 CA CYS A 70 -7.564 9.977 -4.993 1.00 0.00 C ATOM 1071 C CYS A 70 -7.279 8.481 -5.078 1.00 0.00 C ATOM 1072 O CYS A 70 -8.102 7.708 -5.566 1.00 0.00 O ATOM 1073 CB CYS A 70 -7.091 10.672 -6.270 1.00 0.00 C ATOM 1074 SG CYS A 70 -8.320 10.697 -7.596 1.00 0.00 S ATOM 0 H CYS A 70 -5.987 10.943 -4.005 1.00 0.00 H new ATOM 0 HA CYS A 70 -8.640 10.118 -4.889 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -6.810 11.698 -6.030 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.192 10.172 -6.631 1.00 0.00 H new ATOM 0 HG CYS A 70 -7.828 11.308 -8.633 1.00 0.00 H new ATOM 1080 N MET A 71 -6.106 8.080 -4.597 1.00 0.00 N ATOM 1081 CA MET A 71 -5.711 6.676 -4.619 1.00 0.00 C ATOM 1082 C MET A 71 -6.675 5.827 -3.798 1.00 0.00 C ATOM 1083 O MET A 71 -6.853 4.638 -4.066 1.00 0.00 O ATOM 1084 CB MET A 71 -4.287 6.517 -4.082 1.00 0.00 C ATOM 1085 CG MET A 71 -3.215 6.973 -5.057 1.00 0.00 C ATOM 1086 SD MET A 71 -3.253 6.057 -6.610 1.00 0.00 S ATOM 1087 CE MET A 71 -3.195 4.372 -6.010 1.00 0.00 C ATOM 0 H MET A 71 -5.413 8.707 -4.188 1.00 0.00 H new ATOM 0 HA MET A 71 -5.742 6.331 -5.653 1.00 0.00 H new ATOM 0 HB2 MET A 71 -4.191 7.086 -3.157 1.00 0.00 H new ATOM 0 HB3 MET A 71 -4.117 5.470 -3.832 1.00 0.00 H new ATOM 0 HG2 MET A 71 -3.345 8.035 -5.263 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.235 6.856 -4.594 1.00 0.00 H new ATOM 0 HE1 MET A 71 -2.808 3.720 -6.793 1.00 0.00 H new ATOM 0 HE2 MET A 71 -2.543 4.318 -5.138 1.00 0.00 H new ATOM 0 HE3 MET A 71 -4.199 4.050 -5.733 1.00 0.00 H new ATOM 1097 N TYR A 72 -7.298 6.443 -2.796 1.00 0.00 N ATOM 1098 CA TYR A 72 -8.245 5.741 -1.936 1.00 0.00 C ATOM 1099 C TYR A 72 -9.362 5.103 -2.758 1.00 0.00 C ATOM 1100 O TYR A 72 -9.922 4.078 -2.371 1.00 0.00 O ATOM 1101 CB TYR A 72 -8.841 6.703 -0.908 1.00 0.00 C ATOM 1102 CG TYR A 72 -8.016 6.835 0.353 1.00 0.00 C ATOM 1103 CD1 TYR A 72 -7.893 5.773 1.239 1.00 0.00 C ATOM 1104 CD2 TYR A 72 -7.358 8.020 0.655 1.00 0.00 C ATOM 1105 CE1 TYR A 72 -7.140 5.889 2.393 1.00 0.00 C ATOM 1106 CE2 TYR A 72 -6.603 8.145 1.806 1.00 0.00 C ATOM 1107 CZ TYR A 72 -6.497 7.077 2.670 1.00 0.00 C ATOM 1108 OH TYR A 72 -5.746 7.196 3.817 1.00 0.00 O ATOM 0 H TYR A 72 -7.164 7.426 -2.560 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.705 4.950 -1.416 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -8.950 7.687 -1.365 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -9.842 6.362 -0.643 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.394 4.841 1.023 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.438 8.858 -0.021 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -7.056 5.054 3.073 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.099 9.074 2.027 1.00 0.00 H new ATOM 0 HH TYR A 72 -5.749 6.343 4.300 1.00 0.00 H new ATOM 1118 N LYS A 73 -9.678 5.716 -3.895 1.00 0.00 N ATOM 1119 CA LYS A 73 -10.726 5.207 -4.772 1.00 0.00 C ATOM 1120 C LYS A 73 -10.413 3.786 -5.235 1.00 0.00 C ATOM 1121 O LYS A 73 -11.312 3.035 -5.615 1.00 0.00 O ATOM 1122 CB LYS A 73 -10.895 6.124 -5.984 1.00 0.00 C ATOM 1123 CG LYS A 73 -11.339 7.534 -5.624 1.00 0.00 C ATOM 1124 CD LYS A 73 -12.770 7.805 -6.069 1.00 0.00 C ATOM 1125 CE LYS A 73 -12.861 9.061 -6.923 1.00 0.00 C ATOM 1126 NZ LYS A 73 -12.948 8.740 -8.375 1.00 0.00 N ATOM 0 H LYS A 73 -9.223 6.565 -4.230 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.657 5.186 -4.206 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.950 6.177 -6.524 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.626 5.684 -6.663 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.260 7.676 -4.546 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.670 8.257 -6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.144 6.952 -6.635 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.410 7.912 -5.193 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.736 9.639 -6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.988 9.688 -6.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.514 9.507 -8.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.445 7.850 -8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.946 8.638 -8.649 1.00 0.00 H new ATOM 1140 N ASP A 74 -9.134 3.422 -5.203 1.00 0.00 N ATOM 1141 CA ASP A 74 -8.709 2.091 -5.621 1.00 0.00 C ATOM 1142 C ASP A 74 -8.549 1.164 -4.420 1.00 0.00 C ATOM 1143 O ASP A 74 -7.669 0.304 -4.400 1.00 0.00 O ATOM 1144 CB ASP A 74 -7.391 2.174 -6.394 1.00 0.00 C ATOM 1145 CG ASP A 74 -7.520 2.983 -7.671 1.00 0.00 C ATOM 1146 OD1 ASP A 74 -8.610 2.959 -8.280 1.00 0.00 O ATOM 1147 OD2 ASP A 74 -6.531 3.638 -8.061 1.00 0.00 O ATOM 0 H ASP A 74 -8.376 4.029 -4.892 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.481 1.680 -6.272 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.628 2.623 -5.758 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.052 1.167 -6.638 1.00 0.00 H new ATOM 1152 N VAL A 75 -9.407 1.344 -3.421 1.00 0.00 N ATOM 1153 CA VAL A 75 -9.362 0.522 -2.217 1.00 0.00 C ATOM 1154 C VAL A 75 -10.600 -0.363 -2.114 1.00 0.00 C ATOM 1155 O VAL A 75 -11.713 0.129 -1.927 1.00 0.00 O ATOM 1156 CB VAL A 75 -9.254 1.388 -0.949 1.00 0.00 C ATOM 1157 CG1 VAL A 75 -9.041 0.514 0.279 1.00 0.00 C ATOM 1158 CG2 VAL A 75 -8.132 2.405 -1.090 1.00 0.00 C ATOM 0 H VAL A 75 -10.142 2.052 -3.421 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.474 -0.106 -2.293 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.191 1.931 -0.822 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.967 1.144 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.882 -0.170 0.389 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.121 -0.059 0.163 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.071 3.008 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.187 1.885 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.333 3.052 -1.944 1.00 0.00 H new ATOM 1168 N GLN A 76 -10.398 -1.670 -2.239 1.00 0.00 N ATOM 1169 CA GLN A 76 -11.499 -2.624 -2.163 1.00 0.00 C ATOM 1170 C GLN A 76 -11.885 -2.895 -0.713 1.00 0.00 C ATOM 1171 O GLN A 76 -11.057 -2.786 0.192 1.00 0.00 O ATOM 1172 CB GLN A 76 -11.113 -3.934 -2.854 1.00 0.00 C ATOM 1173 CG GLN A 76 -10.797 -3.770 -4.331 1.00 0.00 C ATOM 1174 CD GLN A 76 -9.878 -4.857 -4.855 1.00 0.00 C ATOM 1175 OE1 GLN A 76 -10.332 -5.924 -5.269 1.00 0.00 O ATOM 1176 NE2 GLN A 76 -8.578 -4.590 -4.837 1.00 0.00 N ATOM 0 H GLN A 76 -9.483 -2.093 -2.393 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.359 -2.191 -2.674 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -10.245 -4.359 -2.350 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -11.929 -4.649 -2.742 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -11.726 -3.779 -4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -10.333 -2.797 -4.494 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -8.247 -3.692 -4.485 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.910 -5.283 -5.175 1.00 0.00 H new ATOM 1185 N LYS A 77 -13.148 -3.250 -0.499 1.00 0.00 N ATOM 1186 CA LYS A 77 -13.645 -3.539 0.842 1.00 0.00 C ATOM 1187 C LYS A 77 -13.697 -5.042 1.093 1.00 0.00 C ATOM 1188 O LYS A 77 -14.534 -5.524 1.856 1.00 0.00 O ATOM 1189 CB LYS A 77 -15.035 -2.929 1.033 1.00 0.00 C ATOM 1190 CG LYS A 77 -15.037 -1.409 1.045 1.00 0.00 C ATOM 1191 CD LYS A 77 -16.014 -0.841 0.027 1.00 0.00 C ATOM 1192 CE LYS A 77 -16.521 0.528 0.446 1.00 0.00 C ATOM 1193 NZ LYS A 77 -15.409 1.439 0.835 1.00 0.00 N ATOM 0 H LYS A 77 -13.846 -3.344 -1.237 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.957 -3.095 1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -15.689 -3.278 0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.456 -3.292 1.971 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -15.301 -1.053 2.041 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.033 -1.042 0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -15.527 -0.768 -0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -16.857 -1.522 -0.090 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.084 0.973 -0.374 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -17.210 0.419 1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -15.762 2.416 0.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.039 1.157 1.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -14.649 1.381 0.128 1.00 0.00 H new ATOM 1207 N ASP A 78 -12.799 -5.777 0.446 1.00 0.00 N ATOM 1208 CA ASP A 78 -12.742 -7.226 0.600 1.00 0.00 C ATOM 1209 C ASP A 78 -11.299 -7.708 0.698 1.00 0.00 C ATOM 1210 O ASP A 78 -10.985 -8.838 0.326 1.00 0.00 O ATOM 1211 CB ASP A 78 -13.442 -7.913 -0.574 1.00 0.00 C ATOM 1212 CG ASP A 78 -14.831 -7.360 -0.823 1.00 0.00 C ATOM 1213 OD1 ASP A 78 -15.636 -7.323 0.132 1.00 0.00 O ATOM 1214 OD2 ASP A 78 -15.115 -6.963 -1.973 1.00 0.00 O ATOM 0 H ASP A 78 -12.100 -5.393 -0.190 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.256 -7.487 1.525 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.839 -7.792 -1.474 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.510 -8.983 -0.377 1.00 0.00 H new ATOM 1219 N TRP A 79 -10.423 -6.843 1.203 1.00 0.00 N ATOM 1220 CA TRP A 79 -9.014 -7.182 1.350 1.00 0.00 C ATOM 1221 C TRP A 79 -8.819 -8.239 2.437 1.00 0.00 C ATOM 1222 O TRP A 79 -9.228 -8.042 3.582 1.00 0.00 O ATOM 1223 CB TRP A 79 -8.201 -5.931 1.689 1.00 0.00 C ATOM 1224 CG TRP A 79 -6.722 -6.163 1.688 1.00 0.00 C ATOM 1225 CD1 TRP A 79 -5.880 -6.093 2.761 1.00 0.00 C ATOM 1226 CD2 TRP A 79 -5.908 -6.504 0.560 1.00 0.00 C ATOM 1227 NE1 TRP A 79 -4.592 -6.368 2.370 1.00 0.00 N ATOM 1228 CE2 TRP A 79 -4.583 -6.624 1.023 1.00 0.00 C ATOM 1229 CE3 TRP A 79 -6.170 -6.719 -0.795 1.00 0.00 C ATOM 1230 CZ2 TRP A 79 -3.527 -6.950 0.177 1.00 0.00 C ATOM 1231 CZ3 TRP A 79 -5.120 -7.042 -1.634 1.00 0.00 C ATOM 1232 CH2 TRP A 79 -3.812 -7.155 -1.145 1.00 0.00 C ATOM 0 H TRP A 79 -10.666 -5.903 1.517 1.00 0.00 H new ATOM 0 HA TRP A 79 -8.663 -7.591 0.403 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -8.438 -5.147 0.970 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -8.503 -5.566 2.671 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -6.183 -5.856 3.770 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -3.776 -6.380 2.982 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.175 -6.634 -1.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -2.518 -7.038 0.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -5.311 -7.210 -2.684 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -3.013 -7.409 -1.825 1.00 0.00 H new ATOM 1243 N PRO A 80 -8.189 -9.380 2.098 1.00 0.00 N ATOM 1244 CA PRO A 80 -7.947 -10.461 3.059 1.00 0.00 C ATOM 1245 C PRO A 80 -7.266 -9.965 4.329 1.00 0.00 C ATOM 1246 O PRO A 80 -7.429 -10.547 5.402 1.00 0.00 O ATOM 1247 CB PRO A 80 -7.027 -11.417 2.297 1.00 0.00 C ATOM 1248 CG PRO A 80 -7.327 -11.168 0.860 1.00 0.00 C ATOM 1249 CD PRO A 80 -7.664 -9.706 0.758 1.00 0.00 C ATOM 0 HA PRO A 80 -8.876 -10.921 3.396 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -5.979 -11.221 2.522 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -7.223 -12.454 2.568 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -6.470 -11.416 0.233 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -8.159 -11.785 0.522 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -6.786 -9.108 0.514 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -8.404 -9.518 -0.020 1.00 0.00 H new ATOM 1257 N GLY A 81 -6.500 -8.886 4.200 1.00 0.00 N ATOM 1258 CA GLY A 81 -5.805 -8.328 5.345 1.00 0.00 C ATOM 1259 C GLY A 81 -6.748 -7.933 6.464 1.00 0.00 C ATOM 1260 O GLY A 81 -6.450 -8.142 7.640 1.00 0.00 O ATOM 0 H GLY A 81 -6.348 -8.388 3.323 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.087 -9.057 5.720 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -5.236 -7.454 5.029 1.00 0.00 H new ATOM 1264 N TYR A 82 -7.891 -7.361 6.099 1.00 0.00 N ATOM 1265 CA TYR A 82 -8.881 -6.935 7.081 1.00 0.00 C ATOM 1266 C TYR A 82 -9.718 -8.119 7.557 1.00 0.00 C ATOM 1267 O TYR A 82 -9.579 -9.233 7.053 1.00 0.00 O ATOM 1268 CB TYR A 82 -9.793 -5.858 6.490 1.00 0.00 C ATOM 1269 CG TYR A 82 -9.053 -4.795 5.708 1.00 0.00 C ATOM 1270 CD1 TYR A 82 -7.843 -4.286 6.163 1.00 0.00 C ATOM 1271 CD2 TYR A 82 -9.568 -4.300 4.517 1.00 0.00 C ATOM 1272 CE1 TYR A 82 -7.166 -3.314 5.450 1.00 0.00 C ATOM 1273 CE2 TYR A 82 -8.898 -3.327 3.800 1.00 0.00 C ATOM 1274 CZ TYR A 82 -7.698 -2.838 4.270 1.00 0.00 C ATOM 1275 OH TYR A 82 -7.028 -1.870 3.558 1.00 0.00 O ATOM 0 H TYR A 82 -8.154 -7.182 5.130 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.349 -6.519 7.936 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -10.525 -6.333 5.837 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.348 -5.381 7.298 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -7.425 -4.655 7.088 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.507 -4.682 4.145 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -6.225 -2.929 5.815 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.313 -2.952 2.876 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.144 -1.725 3.955 1.00 0.00 H new ATOM 1285 N SER A 83 -10.586 -7.868 8.532 1.00 0.00 N ATOM 1286 CA SER A 83 -11.448 -8.911 9.075 1.00 0.00 C ATOM 1287 C SER A 83 -12.626 -8.303 9.830 1.00 0.00 C ATOM 1288 O SER A 83 -13.784 -8.592 9.529 1.00 0.00 O ATOM 1289 CB SER A 83 -10.650 -9.828 10.005 1.00 0.00 C ATOM 1290 OG SER A 83 -11.017 -11.185 9.823 1.00 0.00 O ATOM 0 H SER A 83 -10.711 -6.951 8.962 1.00 0.00 H new ATOM 0 HA SER A 83 -11.836 -9.498 8.243 1.00 0.00 H new ATOM 0 HB2 SER A 83 -9.584 -9.708 9.812 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.821 -9.538 11.042 1.00 0.00 H new ATOM 0 HG SER A 83 -10.492 -11.750 10.427 1.00 0.00 H new ATOM 1296 N GLU A 84 -12.322 -7.460 10.812 1.00 0.00 N ATOM 1297 CA GLU A 84 -13.355 -6.811 11.609 1.00 0.00 C ATOM 1298 C GLU A 84 -12.860 -5.477 12.160 1.00 0.00 C ATOM 1299 O GLU A 84 -13.522 -4.450 12.014 1.00 0.00 O ATOM 1300 CB GLU A 84 -13.790 -7.722 12.759 1.00 0.00 C ATOM 1301 CG GLU A 84 -14.977 -8.608 12.419 1.00 0.00 C ATOM 1302 CD GLU A 84 -14.771 -10.049 12.841 1.00 0.00 C ATOM 1303 OE1 GLU A 84 -13.981 -10.285 13.780 1.00 0.00 O ATOM 1304 OE2 GLU A 84 -15.399 -10.942 12.234 1.00 0.00 O ATOM 0 H GLU A 84 -11.368 -7.211 11.074 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.211 -6.621 10.962 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.949 -8.352 13.050 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -14.042 -7.107 13.623 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -15.870 -8.215 12.906 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -15.157 -8.571 11.345 1.00 0.00 H new ATOM 1311 N GLY A 85 -11.692 -5.502 12.794 1.00 0.00 N ATOM 1312 CA GLY A 85 -11.128 -4.290 13.358 1.00 0.00 C ATOM 1313 C GLY A 85 -10.565 -3.363 12.298 1.00 0.00 C ATOM 1314 O GLY A 85 -10.534 -2.146 12.482 1.00 0.00 O ATOM 0 H GLY A 85 -11.126 -6.340 12.927 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -11.897 -3.765 13.924 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -10.339 -4.554 14.062 1.00 0.00 H new ATOM 1318 N ASP A 86 -10.117 -3.939 11.188 1.00 0.00 N ATOM 1319 CA ASP A 86 -9.551 -3.156 10.095 1.00 0.00 C ATOM 1320 C ASP A 86 -10.646 -2.653 9.160 1.00 0.00 C ATOM 1321 O ASP A 86 -10.521 -1.584 8.560 1.00 0.00 O ATOM 1322 CB ASP A 86 -8.539 -3.993 9.311 1.00 0.00 C ATOM 1323 CG ASP A 86 -7.366 -4.431 10.165 1.00 0.00 C ATOM 1324 OD1 ASP A 86 -7.595 -5.127 11.176 1.00 0.00 O ATOM 1325 OD2 ASP A 86 -6.218 -4.076 9.824 1.00 0.00 O ATOM 0 H ASP A 86 -10.135 -4.945 11.021 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.043 -2.293 10.526 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.037 -4.873 8.904 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.172 -3.414 8.464 1.00 0.00 H new ATOM 1330 N GLN A 87 -11.718 -3.429 9.040 1.00 0.00 N ATOM 1331 CA GLN A 87 -12.834 -3.062 8.176 1.00 0.00 C ATOM 1332 C GLN A 87 -13.447 -1.734 8.611 1.00 0.00 C ATOM 1333 O GLN A 87 -13.526 -0.789 7.825 1.00 0.00 O ATOM 1334 CB GLN A 87 -13.900 -4.159 8.192 1.00 0.00 C ATOM 1335 CG GLN A 87 -13.393 -5.506 7.703 1.00 0.00 C ATOM 1336 CD GLN A 87 -14.515 -6.432 7.275 1.00 0.00 C ATOM 1337 OE1 GLN A 87 -15.674 -6.023 7.191 1.00 0.00 O ATOM 1338 NE2 GLN A 87 -14.176 -7.686 7.004 1.00 0.00 N ATOM 0 H GLN A 87 -11.838 -4.316 9.530 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.453 -2.949 7.161 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -14.280 -4.270 9.207 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -14.739 -3.848 7.570 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -12.714 -5.352 6.864 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -12.816 -5.982 8.496 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -13.203 -7.981 7.087 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -14.888 -8.355 6.712 1.00 0.00 H new ATOM 1347 N GLN A 88 -13.880 -1.670 9.865 1.00 0.00 N ATOM 1348 CA GLN A 88 -14.486 -0.458 10.403 1.00 0.00 C ATOM 1349 C GLN A 88 -13.477 0.685 10.445 1.00 0.00 C ATOM 1350 O GLN A 88 -13.830 1.846 10.241 1.00 0.00 O ATOM 1351 CB GLN A 88 -15.038 -0.718 11.807 1.00 0.00 C ATOM 1352 CG GLN A 88 -16.072 -1.830 11.858 1.00 0.00 C ATOM 1353 CD GLN A 88 -17.493 -1.304 11.908 1.00 0.00 C ATOM 1354 OE1 GLN A 88 -17.917 -0.726 12.908 1.00 0.00 O ATOM 1355 NE2 GLN A 88 -18.236 -1.502 10.826 1.00 0.00 N ATOM 0 H GLN A 88 -13.823 -2.443 10.528 1.00 0.00 H new ATOM 0 HA GLN A 88 -15.306 -0.170 9.745 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -14.212 -0.971 12.472 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -15.485 0.200 12.188 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -15.956 -2.469 10.983 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -15.888 -2.452 12.734 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -17.843 -1.987 10.019 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -19.200 -1.170 10.801 1.00 0.00 H new ATOM 1364 N LEU A 89 -12.219 0.347 10.711 1.00 0.00 N ATOM 1365 CA LEU A 89 -11.158 1.345 10.780 1.00 0.00 C ATOM 1366 C LEU A 89 -10.864 1.923 9.399 1.00 0.00 C ATOM 1367 O LEU A 89 -10.477 3.083 9.272 1.00 0.00 O ATOM 1368 CB LEU A 89 -9.888 0.729 11.369 1.00 0.00 C ATOM 1369 CG LEU A 89 -8.738 1.711 11.597 1.00 0.00 C ATOM 1370 CD1 LEU A 89 -9.007 2.573 12.820 1.00 0.00 C ATOM 1371 CD2 LEU A 89 -7.422 0.963 11.750 1.00 0.00 C ATOM 0 H LEU A 89 -11.910 -0.610 10.882 1.00 0.00 H new ATOM 0 HA LEU A 89 -11.495 2.154 11.428 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.138 0.259 12.320 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.543 -0.062 10.703 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.664 2.363 10.727 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.178 3.266 12.966 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -9.929 3.136 12.673 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -9.107 1.936 13.699 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.614 1.677 11.911 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.485 0.287 12.603 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.223 0.388 10.845 1.00 0.00 H new ATOM 1383 N LEU A 90 -11.049 1.104 8.369 1.00 0.00 N ATOM 1384 CA LEU A 90 -10.804 1.534 6.997 1.00 0.00 C ATOM 1385 C LEU A 90 -11.920 2.450 6.505 1.00 0.00 C ATOM 1386 O LEU A 90 -11.682 3.370 5.724 1.00 0.00 O ATOM 1387 CB LEU A 90 -10.681 0.320 6.075 1.00 0.00 C ATOM 1388 CG LEU A 90 -10.165 0.625 4.667 1.00 0.00 C ATOM 1389 CD1 LEU A 90 -8.650 0.496 4.615 1.00 0.00 C ATOM 1390 CD2 LEU A 90 -10.816 -0.299 3.649 1.00 0.00 C ATOM 0 H LEU A 90 -11.368 0.139 8.458 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.868 2.092 6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.013 -0.405 6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.659 -0.155 5.992 1.00 0.00 H new ATOM 0 HG LEU A 90 -10.431 1.652 4.417 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -8.300 0.716 3.606 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -8.201 1.199 5.316 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -8.362 -0.520 4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.437 -0.068 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.581 -1.335 3.895 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -11.897 -0.158 3.668 1.00 0.00 H new ATOM 1402 N LYS A 91 -13.139 2.189 6.966 1.00 0.00 N ATOM 1403 CA LYS A 91 -14.293 2.989 6.571 1.00 0.00 C ATOM 1404 C LYS A 91 -14.180 4.413 7.107 1.00 0.00 C ATOM 1405 O LYS A 91 -14.330 5.380 6.362 1.00 0.00 O ATOM 1406 CB LYS A 91 -15.584 2.342 7.078 1.00 0.00 C ATOM 1407 CG LYS A 91 -16.062 1.183 6.218 1.00 0.00 C ATOM 1408 CD LYS A 91 -17.310 1.547 5.426 1.00 0.00 C ATOM 1409 CE LYS A 91 -18.537 0.820 5.952 1.00 0.00 C ATOM 1410 NZ LYS A 91 -19.771 1.207 5.214 1.00 0.00 N ATOM 0 H LYS A 91 -13.353 1.430 7.613 1.00 0.00 H new ATOM 0 HA LYS A 91 -14.318 3.032 5.482 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -15.427 1.987 8.097 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -16.367 3.099 7.121 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -15.269 0.888 5.531 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.272 0.322 6.852 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.474 2.623 5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.161 1.298 4.375 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -18.386 -0.256 5.867 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -18.663 1.041 7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -20.585 0.689 5.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -19.930 2.230 5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -19.661 0.973 4.207 1.00 0.00 H new ATOM 1424 N ARG A 92 -13.912 4.533 8.404 1.00 0.00 N ATOM 1425 CA ARG A 92 -13.779 5.838 9.041 1.00 0.00 C ATOM 1426 C ARG A 92 -12.708 6.681 8.353 1.00 0.00 C ATOM 1427 O ARG A 92 -12.758 7.911 8.388 1.00 0.00 O ATOM 1428 CB ARG A 92 -13.438 5.670 10.523 1.00 0.00 C ATOM 1429 CG ARG A 92 -12.192 4.835 10.769 1.00 0.00 C ATOM 1430 CD ARG A 92 -11.803 4.832 12.238 1.00 0.00 C ATOM 1431 NE ARG A 92 -12.804 4.166 13.070 1.00 0.00 N ATOM 1432 CZ ARG A 92 -12.761 4.139 14.400 1.00 0.00 C ATOM 1433 NH1 ARG A 92 -11.772 4.736 15.052 1.00 0.00 N ATOM 1434 NH2 ARG A 92 -13.712 3.513 15.080 1.00 0.00 N ATOM 0 H ARG A 92 -13.783 3.741 9.034 1.00 0.00 H new ATOM 0 HA ARG A 92 -14.733 6.356 8.948 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -13.299 6.655 10.969 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -14.283 5.206 11.031 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -12.367 3.812 10.436 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -11.367 5.227 10.174 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -10.842 4.332 12.357 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -11.672 5.859 12.580 1.00 0.00 H new ATOM 0 HE ARG A 92 -13.580 3.695 12.604 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -11.038 5.220 14.534 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -11.745 4.711 16.071 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -14.475 3.053 14.584 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -13.680 3.492 16.099 1.00 0.00 H new ATOM 1448 N VAL A 93 -11.741 6.013 7.731 1.00 0.00 N ATOM 1449 CA VAL A 93 -10.661 6.704 7.038 1.00 0.00 C ATOM 1450 C VAL A 93 -11.107 7.184 5.660 1.00 0.00 C ATOM 1451 O VAL A 93 -10.861 8.329 5.280 1.00 0.00 O ATOM 1452 CB VAL A 93 -9.425 5.798 6.876 1.00 0.00 C ATOM 1453 CG1 VAL A 93 -8.259 6.580 6.290 1.00 0.00 C ATOM 1454 CG2 VAL A 93 -9.040 5.173 8.209 1.00 0.00 C ATOM 0 H VAL A 93 -11.684 4.995 7.693 1.00 0.00 H new ATOM 0 HA VAL A 93 -10.395 7.565 7.651 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.678 4.995 6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -7.396 5.922 6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.539 6.972 5.312 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -8.005 7.407 6.954 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.165 4.537 8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.809 5.960 8.927 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -9.870 4.574 8.583 1.00 0.00 H new ATOM 1464 N LEU A 94 -11.763 6.300 4.915 1.00 0.00 N ATOM 1465 CA LEU A 94 -12.242 6.632 3.578 1.00 0.00 C ATOM 1466 C LEU A 94 -13.257 7.768 3.626 1.00 0.00 C ATOM 1467 O LEU A 94 -13.147 8.745 2.883 1.00 0.00 O ATOM 1468 CB LEU A 94 -12.869 5.401 2.918 1.00 0.00 C ATOM 1469 CG LEU A 94 -11.875 4.330 2.469 1.00 0.00 C ATOM 1470 CD1 LEU A 94 -12.481 2.943 2.615 1.00 0.00 C ATOM 1471 CD2 LEU A 94 -11.440 4.576 1.032 1.00 0.00 C ATOM 0 H LEU A 94 -11.975 5.348 5.215 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.387 6.960 2.986 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -13.573 4.951 3.618 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.445 5.726 2.052 1.00 0.00 H new ATOM 0 HG LEU A 94 -10.995 4.387 3.109 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -11.758 2.194 2.290 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -12.741 2.768 3.659 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -13.378 2.871 2.000 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.732 3.804 0.729 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -12.311 4.547 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.964 5.554 0.958 1.00 0.00 H new ATOM 1483 N VAL A 95 -14.249 7.635 4.501 1.00 0.00 N ATOM 1484 CA VAL A 95 -15.286 8.650 4.642 1.00 0.00 C ATOM 1485 C VAL A 95 -14.688 10.005 5.012 1.00 0.00 C ATOM 1486 O VAL A 95 -15.186 11.048 4.589 1.00 0.00 O ATOM 1487 CB VAL A 95 -16.321 8.250 5.711 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -17.489 9.226 5.716 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -16.806 6.826 5.481 1.00 0.00 C ATOM 0 H VAL A 95 -14.356 6.834 5.123 1.00 0.00 H new ATOM 0 HA VAL A 95 -15.783 8.729 3.675 1.00 0.00 H new ATOM 0 HB VAL A 95 -15.840 8.291 6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -18.210 8.927 6.477 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -17.124 10.229 5.936 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -17.971 9.221 4.738 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -17.536 6.562 6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -17.269 6.754 4.497 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -15.960 6.140 5.535 1.00 0.00 H new ATOM 1499 N ARG A 96 -13.621 9.982 5.803 1.00 0.00 N ATOM 1500 CA ARG A 96 -12.960 11.211 6.226 1.00 0.00 C ATOM 1501 C ARG A 96 -12.257 11.884 5.051 1.00 0.00 C ATOM 1502 O ARG A 96 -12.189 13.111 4.976 1.00 0.00 O ATOM 1503 CB ARG A 96 -11.956 10.916 7.343 1.00 0.00 C ATOM 1504 CG ARG A 96 -12.209 11.714 8.614 1.00 0.00 C ATOM 1505 CD ARG A 96 -12.492 10.804 9.800 1.00 0.00 C ATOM 1506 NE ARG A 96 -11.269 10.428 10.505 1.00 0.00 N ATOM 1507 CZ ARG A 96 -11.247 9.943 11.744 1.00 0.00 C ATOM 1508 NH1 ARG A 96 -12.377 9.773 12.418 1.00 0.00 N ATOM 1509 NH2 ARG A 96 -10.090 9.626 12.310 1.00 0.00 N ATOM 0 H ARG A 96 -13.196 9.128 6.164 1.00 0.00 H new ATOM 0 HA ARG A 96 -13.721 11.893 6.605 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -11.989 9.852 7.579 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.950 11.131 6.983 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.342 12.337 8.832 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -13.054 12.386 8.460 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -13.168 11.308 10.491 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.002 9.905 9.454 1.00 0.00 H new ATOM 0 HE ARG A 96 -10.380 10.544 10.019 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.269 10.014 11.987 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -12.353 9.401 13.367 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -9.219 9.754 11.796 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -10.072 9.254 13.260 1.00 0.00 H new ATOM 1523 N LYS A 97 -11.736 11.074 4.137 1.00 0.00 N ATOM 1524 CA LYS A 97 -11.039 11.590 2.965 1.00 0.00 C ATOM 1525 C LYS A 97 -12.027 11.952 1.862 1.00 0.00 C ATOM 1526 O LYS A 97 -12.037 13.080 1.368 1.00 0.00 O ATOM 1527 CB LYS A 97 -10.034 10.561 2.447 1.00 0.00 C ATOM 1528 CG LYS A 97 -9.011 10.132 3.486 1.00 0.00 C ATOM 1529 CD LYS A 97 -7.919 11.176 3.657 1.00 0.00 C ATOM 1530 CE LYS A 97 -6.745 10.630 4.451 1.00 0.00 C ATOM 1531 NZ LYS A 97 -7.152 10.191 5.815 1.00 0.00 N ATOM 0 H LYS A 97 -11.783 10.056 4.185 1.00 0.00 H new ATOM 0 HA LYS A 97 -10.503 12.492 3.260 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -10.575 9.682 2.097 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.512 10.977 1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -9.509 9.965 4.441 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -8.565 9.183 3.189 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -7.574 11.507 2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.327 12.051 4.164 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.305 9.789 3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -5.974 11.396 4.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -6.311 9.889 6.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.611 10.981 6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -7.818 9.396 5.739 1.00 0.00 H new ATOM 1545 N LEU A 98 -12.859 10.987 1.481 1.00 0.00 N ATOM 1546 CA LEU A 98 -13.853 11.203 0.436 1.00 0.00 C ATOM 1547 C LEU A 98 -14.961 12.131 0.923 1.00 0.00 C ATOM 1548 O LEU A 98 -15.893 11.699 1.602 1.00 0.00 O ATOM 1549 CB LEU A 98 -14.450 9.868 -0.011 1.00 0.00 C ATOM 1550 CG LEU A 98 -13.428 8.769 -0.307 1.00 0.00 C ATOM 1551 CD1 LEU A 98 -14.125 7.512 -0.803 1.00 0.00 C ATOM 1552 CD2 LEU A 98 -12.408 9.253 -1.326 1.00 0.00 C ATOM 0 H LEU A 98 -12.864 10.048 1.880 1.00 0.00 H new ATOM 0 HA LEU A 98 -13.356 11.674 -0.412 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -15.129 9.513 0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -15.049 10.037 -0.906 1.00 0.00 H new ATOM 0 HG LEU A 98 -12.903 8.527 0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -13.382 6.741 -1.008 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -14.817 7.155 -0.041 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -14.676 7.738 -1.716 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -11.688 8.459 -1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -12.917 9.522 -2.251 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -11.886 10.125 -0.932 1.00 0.00 H new ATOM 1564 N SER A 99 -14.854 13.409 0.571 1.00 0.00 N ATOM 1565 CA SER A 99 -15.847 14.398 0.973 1.00 0.00 C ATOM 1566 C SER A 99 -15.905 15.547 -0.029 1.00 0.00 C ATOM 1567 O SER A 99 -14.960 16.326 -0.151 1.00 0.00 O ATOM 1568 CB SER A 99 -15.524 14.937 2.367 1.00 0.00 C ATOM 1569 OG SER A 99 -14.791 13.989 3.124 1.00 0.00 O ATOM 0 H SER A 99 -14.090 13.783 0.009 1.00 0.00 H new ATOM 0 HA SER A 99 -16.822 13.911 0.997 1.00 0.00 H new ATOM 0 HB2 SER A 99 -14.950 15.859 2.279 1.00 0.00 H new ATOM 0 HB3 SER A 99 -16.449 15.186 2.887 1.00 0.00 H new ATOM 0 HG SER A 99 -15.360 13.215 3.319 1.00 0.00 H new ATOM 1575 N GLY A 100 -17.021 15.647 -0.743 1.00 0.00 N ATOM 1576 CA GLY A 100 -17.182 16.703 -1.723 1.00 0.00 C ATOM 1577 C GLY A 100 -17.888 16.227 -2.980 1.00 0.00 C ATOM 1578 O GLY A 100 -18.547 15.188 -2.967 1.00 0.00 O ATOM 0 H GLY A 100 -17.817 15.015 -0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -17.749 17.522 -1.280 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -16.202 17.100 -1.989 1.00 0.00 H new ATOM 1582 N PRO A 101 -17.766 16.972 -4.092 1.00 0.00 N ATOM 1583 CA PRO A 101 -18.403 16.607 -5.360 1.00 0.00 C ATOM 1584 C PRO A 101 -17.766 15.377 -5.997 1.00 0.00 C ATOM 1585 O PRO A 101 -16.542 15.239 -6.015 1.00 0.00 O ATOM 1586 CB PRO A 101 -18.181 17.840 -6.239 1.00 0.00 C ATOM 1587 CG PRO A 101 -16.963 18.489 -5.679 1.00 0.00 C ATOM 1588 CD PRO A 101 -16.998 18.227 -4.199 1.00 0.00 C ATOM 0 HA PRO A 101 -19.453 16.346 -5.227 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -18.037 17.561 -7.283 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -19.039 18.511 -6.204 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -16.059 18.076 -6.127 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -16.961 19.559 -5.886 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -15.995 18.121 -3.786 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -17.481 19.041 -3.658 1.00 0.00 H new ATOM 1596 N SER A 102 -18.602 14.485 -6.518 1.00 0.00 N ATOM 1597 CA SER A 102 -18.119 13.266 -7.156 1.00 0.00 C ATOM 1598 C SER A 102 -17.994 13.455 -8.664 1.00 0.00 C ATOM 1599 O SER A 102 -18.830 14.106 -9.290 1.00 0.00 O ATOM 1600 CB SER A 102 -19.061 12.100 -6.852 1.00 0.00 C ATOM 1601 OG SER A 102 -18.976 11.715 -5.491 1.00 0.00 O ATOM 0 H SER A 102 -19.617 14.583 -6.511 1.00 0.00 H new ATOM 0 HA SER A 102 -17.131 13.040 -6.754 1.00 0.00 H new ATOM 0 HB2 SER A 102 -20.086 12.386 -7.089 1.00 0.00 H new ATOM 0 HB3 SER A 102 -18.811 11.252 -7.489 1.00 0.00 H new ATOM 0 HG SER A 102 -19.589 10.969 -5.323 1.00 0.00 H new ATOM 1607 N SER A 103 -16.944 12.879 -9.243 1.00 0.00 N ATOM 1608 CA SER A 103 -16.710 12.984 -10.678 1.00 0.00 C ATOM 1609 C SER A 103 -16.988 11.655 -11.373 1.00 0.00 C ATOM 1610 O SER A 103 -17.409 11.625 -12.530 1.00 0.00 O ATOM 1611 CB SER A 103 -15.271 13.424 -10.950 1.00 0.00 C ATOM 1612 OG SER A 103 -14.397 12.968 -9.931 1.00 0.00 O ATOM 0 H SER A 103 -16.243 12.335 -8.740 1.00 0.00 H new ATOM 0 HA SER A 103 -17.393 13.733 -11.079 1.00 0.00 H new ATOM 0 HB2 SER A 103 -14.945 13.035 -11.914 1.00 0.00 H new ATOM 0 HB3 SER A 103 -15.226 14.511 -11.013 1.00 0.00 H new ATOM 0 HG SER A 103 -13.483 13.261 -10.129 1.00 0.00 H new ATOM 1618 N GLY A 104 -16.751 10.559 -10.661 1.00 0.00 N ATOM 1619 CA GLY A 104 -16.980 9.243 -11.226 1.00 0.00 C ATOM 1620 C GLY A 104 -16.271 8.148 -10.454 1.00 0.00 C ATOM 1621 O GLY A 104 -16.193 7.013 -10.970 1.00 0.00 O ATOM 1622 OXT GLY A 104 -15.792 8.426 -9.335 1.00 0.00 O ATOM 0 H GLY A 104 -16.404 10.559 -9.702 1.00 0.00 H new ATOM 0 HA2 GLY A 104 -18.051 9.038 -11.240 1.00 0.00 H new ATOM 0 HA3 GLY A 104 -16.640 9.232 -12.262 1.00 0.00 H new TER 1626 GLY A 104