USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 748 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 Single : A 1 GLY N :NH3+ -114:sc= 0.0771 (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 12 GLN : amide:sc=-0.00434 K(o=-0.0043,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= -0.821 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 19:sc= 0.0634 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.07 K(o=-1.1,f=-2.5) USER MOD Single : A 46 ASN : amide:sc= -0.942 X(o=-0.94,f=-0.95) USER MOD Single : A 53 LYS NZ :NH3+ 140:sc= -0.429 (180deg=-2.41!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 17:sc= 0.883 USER MOD Single : A 58 GLN : amide:sc= -0.687! C(o=-0.69!,f=-8.1!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.143 K(o=-0.14,f=-1.9!) USER MOD Single : A 73 GLN : amide:sc=-0.000382 X(o=-0.00038,f=-0.00038) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot -16:sc= 0.215 USER MOD Single : A 79 SER OG : rot 35:sc= 0.187 USER MOD Single : A 80 CYS SG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0.0145 K(o=0.015,f=-0.96) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot -126:sc= -1.09 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.425 -9.126 11.481 1.00 0.00 N ATOM 2 CA GLY A 1 35.228 -8.627 10.831 1.00 0.00 C ATOM 3 C GLY A 1 34.285 -7.940 11.799 1.00 0.00 C ATOM 4 O GLY A 1 34.611 -7.763 12.973 1.00 0.00 O ATOM 0 H1 GLY A 1 37.253 -8.603 11.132 1.00 0.00 H new ATOM 0 H2 GLY A 1 36.342 -8.996 12.509 1.00 0.00 H new ATOM 0 H3 GLY A 1 36.539 -10.138 11.268 1.00 0.00 H new ATOM 0 HA2 GLY A 1 35.510 -7.927 10.045 1.00 0.00 H new ATOM 0 HA3 GLY A 1 34.708 -9.455 10.349 1.00 0.00 H new ATOM 8 N SER A 2 33.114 -7.551 11.306 1.00 0.00 N ATOM 9 CA SER A 2 32.123 -6.874 12.135 1.00 0.00 C ATOM 10 C SER A 2 30.737 -7.478 11.928 1.00 0.00 C ATOM 11 O SER A 2 30.395 -7.911 10.828 1.00 0.00 O ATOM 12 CB SER A 2 32.093 -5.379 11.813 1.00 0.00 C ATOM 13 OG SER A 2 33.063 -4.675 12.569 1.00 0.00 O ATOM 0 H SER A 2 32.828 -7.693 10.337 1.00 0.00 H new ATOM 0 HA SER A 2 32.407 -7.008 13.179 1.00 0.00 H new ATOM 0 HB2 SER A 2 32.278 -5.229 10.749 1.00 0.00 H new ATOM 0 HB3 SER A 2 31.102 -4.978 12.024 1.00 0.00 H new ATOM 0 HG SER A 2 33.025 -3.722 12.344 1.00 0.00 H new ATOM 19 N SER A 3 29.944 -7.503 12.994 1.00 0.00 N ATOM 20 CA SER A 3 28.597 -8.057 12.931 1.00 0.00 C ATOM 21 C SER A 3 27.656 -7.115 12.187 1.00 0.00 C ATOM 22 O SER A 3 27.225 -6.096 12.725 1.00 0.00 O ATOM 23 CB SER A 3 28.064 -8.318 14.342 1.00 0.00 C ATOM 24 OG SER A 3 26.842 -9.035 14.300 1.00 0.00 O ATOM 0 H SER A 3 30.211 -7.146 13.911 1.00 0.00 H new ATOM 0 HA SER A 3 28.644 -9.000 12.387 1.00 0.00 H new ATOM 0 HB2 SER A 3 28.801 -8.882 14.914 1.00 0.00 H new ATOM 0 HB3 SER A 3 27.916 -7.370 14.859 1.00 0.00 H new ATOM 0 HG SER A 3 26.523 -9.191 15.213 1.00 0.00 H new ATOM 30 N GLY A 4 27.341 -7.464 10.943 1.00 0.00 N ATOM 31 CA GLY A 4 26.454 -6.640 10.143 1.00 0.00 C ATOM 32 C GLY A 4 26.803 -6.674 8.668 1.00 0.00 C ATOM 33 O GLY A 4 27.384 -5.727 8.139 1.00 0.00 O ATOM 0 H GLY A 4 27.684 -8.303 10.475 1.00 0.00 H new ATOM 0 HA2 GLY A 4 25.427 -6.980 10.278 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.499 -5.611 10.500 1.00 0.00 H new ATOM 37 N SER A 5 26.450 -7.770 8.003 1.00 0.00 N ATOM 38 CA SER A 5 26.735 -7.926 6.582 1.00 0.00 C ATOM 39 C SER A 5 25.890 -6.966 5.750 1.00 0.00 C ATOM 40 O SER A 5 24.830 -6.518 6.185 1.00 0.00 O ATOM 41 CB SER A 5 26.470 -9.367 6.143 1.00 0.00 C ATOM 42 OG SER A 5 27.383 -10.263 6.754 1.00 0.00 O ATOM 0 H SER A 5 25.966 -8.562 8.426 1.00 0.00 H new ATOM 0 HA SER A 5 27.787 -7.691 6.420 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.450 -9.648 6.404 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.553 -9.441 5.059 1.00 0.00 H new ATOM 0 HG SER A 5 27.191 -11.177 6.458 1.00 0.00 H new ATOM 48 N SER A 6 26.370 -6.654 4.550 1.00 0.00 N ATOM 49 CA SER A 6 25.662 -5.744 3.657 1.00 0.00 C ATOM 50 C SER A 6 25.248 -6.455 2.372 1.00 0.00 C ATOM 51 O SER A 6 26.060 -6.650 1.468 1.00 0.00 O ATOM 52 CB SER A 6 26.540 -4.536 3.324 1.00 0.00 C ATOM 53 OG SER A 6 25.755 -3.437 2.896 1.00 0.00 O ATOM 0 H SER A 6 27.246 -7.018 4.174 1.00 0.00 H new ATOM 0 HA SER A 6 24.762 -5.401 4.168 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.121 -4.252 4.201 1.00 0.00 H new ATOM 0 HB3 SER A 6 27.252 -4.804 2.543 1.00 0.00 H new ATOM 0 HG SER A 6 26.340 -2.678 2.691 1.00 0.00 H new ATOM 59 N GLY A 7 23.978 -6.842 2.300 1.00 0.00 N ATOM 60 CA GLY A 7 23.477 -7.527 1.123 1.00 0.00 C ATOM 61 C GLY A 7 22.033 -7.181 0.820 1.00 0.00 C ATOM 62 O GLY A 7 21.737 -6.191 0.151 1.00 0.00 O ATOM 0 H GLY A 7 23.287 -6.693 3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 7 24.097 -7.268 0.265 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.566 -8.604 1.268 1.00 0.00 H new ATOM 66 N PRO A 8 21.104 -8.010 1.320 1.00 0.00 N ATOM 67 CA PRO A 8 19.667 -7.807 1.111 1.00 0.00 C ATOM 68 C PRO A 8 19.136 -6.597 1.871 1.00 0.00 C ATOM 69 O PRO A 8 19.826 -6.033 2.721 1.00 0.00 O ATOM 70 CB PRO A 8 19.045 -9.095 1.655 1.00 0.00 C ATOM 71 CG PRO A 8 20.031 -9.603 2.649 1.00 0.00 C ATOM 72 CD PRO A 8 21.385 -9.209 2.127 1.00 0.00 C ATOM 0 HA PRO A 8 19.431 -7.611 0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 8 18.078 -8.902 2.120 1.00 0.00 H new ATOM 0 HB3 PRO A 8 18.877 -9.820 0.859 1.00 0.00 H new ATOM 0 HG2 PRO A 8 19.851 -9.171 3.633 1.00 0.00 H new ATOM 0 HG3 PRO A 8 19.954 -10.685 2.757 1.00 0.00 H new ATOM 0 HD2 PRO A 8 22.081 -8.994 2.938 1.00 0.00 H new ATOM 0 HD3 PRO A 8 21.831 -10.002 1.527 1.00 0.00 H new ATOM 80 N VAL A 9 17.906 -6.202 1.560 1.00 0.00 N ATOM 81 CA VAL A 9 17.282 -5.058 2.216 1.00 0.00 C ATOM 82 C VAL A 9 16.265 -5.510 3.258 1.00 0.00 C ATOM 83 O VAL A 9 15.475 -6.422 3.015 1.00 0.00 O ATOM 84 CB VAL A 9 16.582 -4.140 1.196 1.00 0.00 C ATOM 85 CG1 VAL A 9 16.091 -2.869 1.872 1.00 0.00 C ATOM 86 CG2 VAL A 9 17.519 -3.813 0.043 1.00 0.00 C ATOM 0 H VAL A 9 17.322 -6.657 0.858 1.00 0.00 H new ATOM 0 HA VAL A 9 18.079 -4.501 2.708 1.00 0.00 H new ATOM 0 HB VAL A 9 15.717 -4.666 0.793 1.00 0.00 H new ATOM 0 HG11 VAL A 9 15.599 -2.232 1.137 1.00 0.00 H new ATOM 0 HG12 VAL A 9 15.384 -3.126 2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.938 -2.336 2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 9 17.008 -3.164 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 9 18.404 -3.306 0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.817 -4.735 -0.457 1.00 0.00 H new ATOM 96 N ARG A 10 16.291 -4.866 4.420 1.00 0.00 N ATOM 97 CA ARG A 10 15.371 -5.202 5.501 1.00 0.00 C ATOM 98 C ARG A 10 14.276 -4.147 5.630 1.00 0.00 C ATOM 99 O ARG A 10 14.555 -2.949 5.668 1.00 0.00 O ATOM 100 CB ARG A 10 16.130 -5.329 6.823 1.00 0.00 C ATOM 101 CG ARG A 10 16.690 -6.720 7.072 1.00 0.00 C ATOM 102 CD ARG A 10 17.924 -6.984 6.224 1.00 0.00 C ATOM 103 NE ARG A 10 18.368 -8.372 6.320 1.00 0.00 N ATOM 104 CZ ARG A 10 19.115 -8.838 7.316 1.00 0.00 C ATOM 105 NH1 ARG A 10 19.499 -8.030 8.294 1.00 0.00 N ATOM 106 NH2 ARG A 10 19.478 -10.114 7.333 1.00 0.00 N ATOM 0 H ARG A 10 16.939 -4.109 4.637 1.00 0.00 H new ATOM 0 HA ARG A 10 14.904 -6.158 5.264 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.949 -4.610 6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.462 -5.063 7.643 1.00 0.00 H new ATOM 0 HG2 ARG A 10 16.942 -6.828 8.127 1.00 0.00 H new ATOM 0 HG3 ARG A 10 15.927 -7.466 6.848 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.707 -6.744 5.183 1.00 0.00 H new ATOM 0 HD3 ARG A 10 18.730 -6.323 6.542 1.00 0.00 H new ATOM 0 HE ARG A 10 18.090 -9.019 5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 10 19.221 -7.049 8.283 1.00 0.00 H new ATOM 0 HH12 ARG A 10 20.072 -8.390 9.057 1.00 0.00 H new ATOM 0 HH21 ARG A 10 19.184 -10.738 6.582 1.00 0.00 H new ATOM 0 HH22 ARG A 10 20.051 -10.471 8.097 1.00 0.00 H new ATOM 120 N PHE A 11 13.029 -4.602 5.697 1.00 0.00 N ATOM 121 CA PHE A 11 11.891 -3.699 5.820 1.00 0.00 C ATOM 122 C PHE A 11 11.910 -2.981 7.167 1.00 0.00 C ATOM 123 O PHE A 11 11.150 -3.320 8.073 1.00 0.00 O ATOM 124 CB PHE A 11 10.580 -4.471 5.660 1.00 0.00 C ATOM 125 CG PHE A 11 10.099 -4.547 4.239 1.00 0.00 C ATOM 126 CD1 PHE A 11 9.484 -3.457 3.643 1.00 0.00 C ATOM 127 CD2 PHE A 11 10.262 -5.707 3.499 1.00 0.00 C ATOM 128 CE1 PHE A 11 9.040 -3.525 2.336 1.00 0.00 C ATOM 129 CE2 PHE A 11 9.820 -5.780 2.192 1.00 0.00 C ATOM 130 CZ PHE A 11 9.209 -4.687 1.609 1.00 0.00 C ATOM 0 H PHE A 11 12.781 -5.591 5.668 1.00 0.00 H new ATOM 0 HA PHE A 11 11.964 -2.953 5.029 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.714 -5.482 6.045 1.00 0.00 H new ATOM 0 HB3 PHE A 11 9.812 -3.997 6.271 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.350 -2.545 4.206 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.740 -6.564 3.949 1.00 0.00 H new ATOM 0 HE1 PHE A 11 8.561 -2.670 1.883 1.00 0.00 H new ATOM 0 HE2 PHE A 11 9.952 -6.691 1.627 1.00 0.00 H new ATOM 0 HZ PHE A 11 8.864 -4.741 0.587 1.00 0.00 H new ATOM 140 N GLN A 12 12.785 -1.988 7.288 1.00 0.00 N ATOM 141 CA GLN A 12 12.905 -1.223 8.524 1.00 0.00 C ATOM 142 C GLN A 12 11.545 -0.696 8.971 1.00 0.00 C ATOM 143 O GLN A 12 11.162 -0.845 10.131 1.00 0.00 O ATOM 144 CB GLN A 12 13.879 -0.059 8.336 1.00 0.00 C ATOM 145 CG GLN A 12 14.352 0.556 9.644 1.00 0.00 C ATOM 146 CD GLN A 12 15.533 -0.182 10.243 1.00 0.00 C ATOM 147 OE1 GLN A 12 15.891 -1.271 9.795 1.00 0.00 O ATOM 148 NE2 GLN A 12 16.145 0.409 11.262 1.00 0.00 N ATOM 0 H GLN A 12 13.421 -1.694 6.546 1.00 0.00 H new ATOM 0 HA GLN A 12 13.290 -1.888 9.297 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.745 -0.408 7.774 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.398 0.712 7.734 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.628 1.597 9.473 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.529 0.558 10.359 1.00 0.00 H new ATOM 0 HE21 GLN A 12 15.814 1.312 11.601 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.946 -0.040 11.706 1.00 0.00 H new ATOM 157 N GLU A 13 10.821 -0.078 8.043 1.00 0.00 N ATOM 158 CA GLU A 13 9.504 0.472 8.344 1.00 0.00 C ATOM 159 C GLU A 13 8.499 0.102 7.258 1.00 0.00 C ATOM 160 O GLU A 13 8.170 0.918 6.397 1.00 0.00 O ATOM 161 CB GLU A 13 9.583 1.994 8.484 1.00 0.00 C ATOM 162 CG GLU A 13 9.974 2.457 9.877 1.00 0.00 C ATOM 163 CD GLU A 13 11.476 2.494 10.080 1.00 0.00 C ATOM 164 OE1 GLU A 13 12.202 2.741 9.094 1.00 0.00 O ATOM 165 OE2 GLU A 13 11.925 2.277 11.225 1.00 0.00 O ATOM 0 H GLU A 13 11.123 0.054 7.078 1.00 0.00 H new ATOM 0 HA GLU A 13 9.167 0.044 9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.306 2.380 7.766 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.616 2.425 8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 13 9.563 3.451 10.054 1.00 0.00 H new ATOM 0 HG3 GLU A 13 9.528 1.791 10.616 1.00 0.00 H new ATOM 172 N ALA A 14 8.015 -1.135 7.304 1.00 0.00 N ATOM 173 CA ALA A 14 7.047 -1.614 6.326 1.00 0.00 C ATOM 174 C ALA A 14 5.649 -1.086 6.632 1.00 0.00 C ATOM 175 O ALA A 14 5.459 -0.315 7.574 1.00 0.00 O ATOM 176 CB ALA A 14 7.042 -3.135 6.288 1.00 0.00 C ATOM 0 H ALA A 14 8.278 -1.824 8.009 1.00 0.00 H new ATOM 0 HA ALA A 14 7.342 -1.238 5.346 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.314 -3.478 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.033 -3.495 6.013 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.775 -3.523 7.271 1.00 0.00 H new ATOM 182 N LEU A 15 4.675 -1.505 5.833 1.00 0.00 N ATOM 183 CA LEU A 15 3.294 -1.074 6.019 1.00 0.00 C ATOM 184 C LEU A 15 2.895 -1.143 7.489 1.00 0.00 C ATOM 185 O LEU A 15 3.616 -1.705 8.314 1.00 0.00 O ATOM 186 CB LEU A 15 2.351 -1.940 5.182 1.00 0.00 C ATOM 187 CG LEU A 15 2.649 -2.001 3.683 1.00 0.00 C ATOM 188 CD1 LEU A 15 1.680 -2.943 2.984 1.00 0.00 C ATOM 189 CD2 LEU A 15 2.579 -0.610 3.069 1.00 0.00 C ATOM 0 H LEU A 15 4.816 -2.143 5.050 1.00 0.00 H new ATOM 0 HA LEU A 15 3.216 -0.038 5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.374 -2.955 5.578 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.335 -1.569 5.315 1.00 0.00 H new ATOM 0 HG LEU A 15 3.660 -2.386 3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.907 -2.974 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.778 -3.944 3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.660 -2.587 3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.794 -0.672 2.002 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.581 -0.198 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.313 0.037 3.550 1.00 0.00 H new ATOM 201 N LYS A 16 1.741 -0.569 7.812 1.00 0.00 N ATOM 202 CA LYS A 16 1.242 -0.568 9.182 1.00 0.00 C ATOM 203 C LYS A 16 -0.264 -0.330 9.213 1.00 0.00 C ATOM 204 O LYS A 16 -0.849 0.135 8.234 1.00 0.00 O ATOM 205 CB LYS A 16 1.956 0.506 10.005 1.00 0.00 C ATOM 206 CG LYS A 16 1.763 1.914 9.467 1.00 0.00 C ATOM 207 CD LYS A 16 2.709 2.900 10.131 1.00 0.00 C ATOM 208 CE LYS A 16 2.376 4.334 9.751 1.00 0.00 C ATOM 209 NZ LYS A 16 3.156 5.316 10.555 1.00 0.00 N ATOM 0 H LYS A 16 1.133 -0.098 7.142 1.00 0.00 H new ATOM 0 HA LYS A 16 1.446 -1.546 9.617 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.593 0.466 11.032 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.022 0.280 10.034 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.929 1.919 8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.733 2.229 9.632 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.653 2.787 11.214 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.735 2.674 9.840 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.582 4.486 8.692 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.310 4.510 9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.901 6.282 10.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.940 5.188 11.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.173 5.165 10.397 1.00 0.00 H new ATOM 223 N ASP A 17 -0.886 -0.650 10.342 1.00 0.00 N ATOM 224 CA ASP A 17 -2.324 -0.468 10.502 1.00 0.00 C ATOM 225 C ASP A 17 -2.742 0.941 10.092 1.00 0.00 C ATOM 226 O ASP A 17 -2.045 1.915 10.378 1.00 0.00 O ATOM 227 CB ASP A 17 -2.736 -0.735 11.950 1.00 0.00 C ATOM 228 CG ASP A 17 -2.903 -2.213 12.242 1.00 0.00 C ATOM 229 OD1 ASP A 17 -1.883 -2.886 12.497 1.00 0.00 O ATOM 230 OD2 ASP A 17 -4.054 -2.697 12.213 1.00 0.00 O ATOM 0 H ASP A 17 -0.417 -1.037 11.161 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.830 -1.182 9.852 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.985 -0.318 12.621 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -3.673 -0.218 12.159 1.00 0.00 H new ATOM 235 N LEU A 18 -3.883 1.041 9.419 1.00 0.00 N ATOM 236 CA LEU A 18 -4.394 2.331 8.969 1.00 0.00 C ATOM 237 C LEU A 18 -5.848 2.518 9.390 1.00 0.00 C ATOM 238 O LEU A 18 -6.560 1.547 9.645 1.00 0.00 O ATOM 239 CB LEU A 18 -4.274 2.447 7.448 1.00 0.00 C ATOM 240 CG LEU A 18 -2.865 2.685 6.903 1.00 0.00 C ATOM 241 CD1 LEU A 18 -2.811 2.382 5.414 1.00 0.00 C ATOM 242 CD2 LEU A 18 -2.423 4.116 7.174 1.00 0.00 C ATOM 0 H LEU A 18 -4.471 0.245 9.173 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.796 3.113 9.436 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.665 1.533 7.002 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.914 3.264 7.114 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.179 2.011 7.416 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.801 2.557 5.043 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.084 1.341 5.244 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.509 3.031 4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.418 4.267 6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.112 4.808 6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.422 4.299 8.248 1.00 0.00 H new ATOM 254 N GLU A 19 -6.283 3.773 9.459 1.00 0.00 N ATOM 255 CA GLU A 19 -7.653 4.085 9.849 1.00 0.00 C ATOM 256 C GLU A 19 -8.266 5.114 8.903 1.00 0.00 C ATOM 257 O GLU A 19 -7.761 6.229 8.768 1.00 0.00 O ATOM 258 CB GLU A 19 -7.691 4.611 11.285 1.00 0.00 C ATOM 259 CG GLU A 19 -9.087 4.643 11.885 1.00 0.00 C ATOM 260 CD GLU A 19 -9.176 5.537 13.107 1.00 0.00 C ATOM 261 OE1 GLU A 19 -8.927 6.753 12.971 1.00 0.00 O ATOM 262 OE2 GLU A 19 -9.495 5.020 14.198 1.00 0.00 O ATOM 0 H GLU A 19 -5.707 4.589 9.250 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.238 3.167 9.790 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.051 3.987 11.909 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.273 5.617 11.306 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.794 4.991 11.132 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.385 3.630 12.158 1.00 0.00 H new ATOM 269 N VAL A 20 -9.357 4.731 8.248 1.00 0.00 N ATOM 270 CA VAL A 20 -10.041 5.618 7.315 1.00 0.00 C ATOM 271 C VAL A 20 -11.513 5.247 7.181 1.00 0.00 C ATOM 272 O VAL A 20 -11.906 4.112 7.453 1.00 0.00 O ATOM 273 CB VAL A 20 -9.384 5.581 5.922 1.00 0.00 C ATOM 274 CG1 VAL A 20 -9.242 4.146 5.437 1.00 0.00 C ATOM 275 CG2 VAL A 20 -10.188 6.410 4.932 1.00 0.00 C ATOM 0 H VAL A 20 -9.787 3.811 8.346 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.960 6.627 7.720 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.387 6.014 5.998 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.776 4.139 4.452 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.621 3.586 6.136 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.227 3.684 5.376 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -9.710 6.373 3.953 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.199 6.008 4.857 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.233 7.444 5.275 1.00 0.00 H new ATOM 285 N LEU A 21 -12.324 6.211 6.759 1.00 0.00 N ATOM 286 CA LEU A 21 -13.755 5.986 6.588 1.00 0.00 C ATOM 287 C LEU A 21 -14.144 6.048 5.114 1.00 0.00 C ATOM 288 O LEU A 21 -13.617 6.864 4.358 1.00 0.00 O ATOM 289 CB LEU A 21 -14.553 7.022 7.381 1.00 0.00 C ATOM 290 CG LEU A 21 -16.064 6.795 7.452 1.00 0.00 C ATOM 291 CD1 LEU A 21 -16.630 7.369 8.741 1.00 0.00 C ATOM 292 CD2 LEU A 21 -16.752 7.413 6.243 1.00 0.00 C ATOM 0 H LEU A 21 -12.015 7.156 6.529 1.00 0.00 H new ATOM 0 HA LEU A 21 -13.988 4.990 6.965 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.162 7.052 8.398 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.373 8.003 6.942 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.252 5.721 7.444 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.706 7.198 8.774 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -16.159 6.881 9.594 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -16.431 8.440 8.780 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -17.827 7.242 6.309 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.555 8.485 6.221 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -16.367 6.955 5.332 1.00 0.00 H new ATOM 304 N GLU A 22 -15.069 5.181 4.714 1.00 0.00 N ATOM 305 CA GLU A 22 -15.529 5.140 3.331 1.00 0.00 C ATOM 306 C GLU A 22 -15.848 6.542 2.821 1.00 0.00 C ATOM 307 O GLU A 22 -16.646 7.264 3.417 1.00 0.00 O ATOM 308 CB GLU A 22 -16.765 4.246 3.208 1.00 0.00 C ATOM 309 CG GLU A 22 -17.219 4.030 1.774 1.00 0.00 C ATOM 310 CD GLU A 22 -17.509 5.331 1.051 1.00 0.00 C ATOM 311 OE1 GLU A 22 -18.146 6.217 1.659 1.00 0.00 O ATOM 312 OE2 GLU A 22 -17.101 5.463 -0.122 1.00 0.00 O ATOM 0 H GLU A 22 -15.514 4.498 5.327 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.727 4.725 2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.550 3.279 3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.582 4.690 3.776 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.449 3.481 1.232 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.115 3.409 1.770 1.00 0.00 H new ATOM 319 N GLY A 23 -15.218 6.921 1.713 1.00 0.00 N ATOM 320 CA GLY A 23 -15.447 8.235 1.142 1.00 0.00 C ATOM 321 C GLY A 23 -14.172 9.048 1.029 1.00 0.00 C ATOM 322 O GLY A 23 -14.197 10.273 1.143 1.00 0.00 O ATOM 0 H GLY A 23 -14.553 6.341 1.201 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.893 8.126 0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.166 8.775 1.758 1.00 0.00 H new ATOM 326 N GLY A 24 -13.054 8.365 0.805 1.00 0.00 N ATOM 327 CA GLY A 24 -11.779 9.047 0.682 1.00 0.00 C ATOM 328 C GLY A 24 -10.732 8.199 -0.011 1.00 0.00 C ATOM 329 O GLY A 24 -11.042 7.451 -0.938 1.00 0.00 O ATOM 0 H GLY A 24 -13.008 7.351 0.706 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.918 9.973 0.125 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.421 9.322 1.674 1.00 0.00 H new ATOM 333 N ALA A 25 -9.486 8.317 0.437 1.00 0.00 N ATOM 334 CA ALA A 25 -8.389 7.554 -0.146 1.00 0.00 C ATOM 335 C ALA A 25 -7.420 7.076 0.930 1.00 0.00 C ATOM 336 O ALA A 25 -7.345 7.656 2.013 1.00 0.00 O ATOM 337 CB ALA A 25 -7.657 8.392 -1.184 1.00 0.00 C ATOM 0 H ALA A 25 -9.211 8.934 1.202 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.810 6.675 -0.635 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.840 7.810 -1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.350 8.679 -1.975 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.255 9.288 -0.711 1.00 0.00 H new ATOM 343 N ALA A 26 -6.680 6.015 0.625 1.00 0.00 N ATOM 344 CA ALA A 26 -5.715 5.460 1.566 1.00 0.00 C ATOM 345 C ALA A 26 -4.287 5.667 1.073 1.00 0.00 C ATOM 346 O ALA A 26 -3.971 5.388 -0.084 1.00 0.00 O ATOM 347 CB ALA A 26 -5.988 3.981 1.791 1.00 0.00 C ATOM 0 H ALA A 26 -6.730 5.523 -0.267 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.825 5.987 2.514 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.260 3.580 2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -6.992 3.854 2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.908 3.448 0.844 1.00 0.00 H new ATOM 353 N THR A 27 -3.426 6.160 1.959 1.00 0.00 N ATOM 354 CA THR A 27 -2.032 6.406 1.613 1.00 0.00 C ATOM 355 C THR A 27 -1.096 5.547 2.457 1.00 0.00 C ATOM 356 O THR A 27 -0.753 5.908 3.583 1.00 0.00 O ATOM 357 CB THR A 27 -1.660 7.889 1.803 1.00 0.00 C ATOM 358 OG1 THR A 27 -2.481 8.711 0.967 1.00 0.00 O ATOM 359 CG2 THR A 27 -0.194 8.126 1.472 1.00 0.00 C ATOM 0 H THR A 27 -3.670 6.396 2.921 1.00 0.00 H new ATOM 0 HA THR A 27 -1.915 6.141 0.562 1.00 0.00 H new ATOM 0 HB THR A 27 -1.828 8.152 2.848 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.239 9.652 1.095 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.045 9.180 1.613 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.430 7.521 2.130 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.005 7.847 0.435 1.00 0.00 H new ATOM 367 N LEU A 28 -0.687 4.411 1.905 1.00 0.00 N ATOM 368 CA LEU A 28 0.211 3.500 2.607 1.00 0.00 C ATOM 369 C LEU A 28 1.662 3.947 2.464 1.00 0.00 C ATOM 370 O LEU A 28 2.153 4.149 1.353 1.00 0.00 O ATOM 371 CB LEU A 28 0.049 2.077 2.069 1.00 0.00 C ATOM 372 CG LEU A 28 -1.354 1.477 2.171 1.00 0.00 C ATOM 373 CD1 LEU A 28 -2.178 1.834 0.943 1.00 0.00 C ATOM 374 CD2 LEU A 28 -1.277 -0.033 2.343 1.00 0.00 C ATOM 0 H LEU A 28 -0.962 4.098 0.974 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.052 3.514 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.350 2.069 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.741 1.427 2.604 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.845 1.898 3.048 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.173 1.398 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.262 2.918 0.864 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.690 1.442 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.284 -0.443 2.414 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.766 -0.471 1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.725 -0.268 3.253 1.00 0.00 H new ATOM 386 N ARG A 29 2.344 4.098 3.595 1.00 0.00 N ATOM 387 CA ARG A 29 3.739 4.520 3.595 1.00 0.00 C ATOM 388 C ARG A 29 4.637 3.430 4.174 1.00 0.00 C ATOM 389 O ARG A 29 4.212 2.650 5.027 1.00 0.00 O ATOM 390 CB ARG A 29 3.903 5.811 4.400 1.00 0.00 C ATOM 391 CG ARG A 29 3.650 7.071 3.588 1.00 0.00 C ATOM 392 CD ARG A 29 4.509 7.107 2.334 1.00 0.00 C ATOM 393 NE ARG A 29 4.809 8.474 1.915 1.00 0.00 N ATOM 394 CZ ARG A 29 5.672 8.775 0.952 1.00 0.00 C ATOM 395 NH1 ARG A 29 6.318 7.811 0.311 1.00 0.00 N ATOM 396 NH2 ARG A 29 5.891 10.043 0.628 1.00 0.00 N ATOM 0 H ARG A 29 1.953 3.934 4.523 1.00 0.00 H new ATOM 0 HA ARG A 29 4.037 4.702 2.563 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.217 5.791 5.247 1.00 0.00 H new ATOM 0 HB3 ARG A 29 4.913 5.849 4.809 1.00 0.00 H new ATOM 0 HG2 ARG A 29 2.597 7.121 3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.861 7.948 4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.440 6.571 2.517 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.995 6.585 1.527 1.00 0.00 H new ATOM 0 HE ARG A 29 4.329 9.239 2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.153 6.835 0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.980 8.045 -0.428 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.396 10.788 1.119 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.554 10.273 -0.112 1.00 0.00 H new ATOM 410 N CYS A 30 5.878 3.383 3.703 1.00 0.00 N ATOM 411 CA CYS A 30 6.836 2.387 4.173 1.00 0.00 C ATOM 412 C CYS A 30 8.254 2.755 3.748 1.00 0.00 C ATOM 413 O CYS A 30 8.508 3.042 2.578 1.00 0.00 O ATOM 414 CB CYS A 30 6.471 1.004 3.632 1.00 0.00 C ATOM 415 SG CYS A 30 5.716 1.028 1.989 1.00 0.00 S ATOM 0 H CYS A 30 6.245 4.022 2.997 1.00 0.00 H new ATOM 0 HA CYS A 30 6.796 2.365 5.262 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.371 0.390 3.597 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.784 0.523 4.328 1.00 0.00 H new ATOM 0 HG CYS A 30 5.446 -0.188 1.618 1.00 0.00 H new ATOM 421 N VAL A 31 9.175 2.745 4.707 1.00 0.00 N ATOM 422 CA VAL A 31 10.567 3.078 4.433 1.00 0.00 C ATOM 423 C VAL A 31 11.459 1.846 4.544 1.00 0.00 C ATOM 424 O VAL A 31 11.362 1.080 5.504 1.00 0.00 O ATOM 425 CB VAL A 31 11.086 4.161 5.397 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.511 4.556 5.041 1.00 0.00 C ATOM 427 CG2 VAL A 31 10.168 5.374 5.378 1.00 0.00 C ATOM 0 H VAL A 31 8.981 2.510 5.680 1.00 0.00 H new ATOM 0 HA VAL A 31 10.605 3.461 3.413 1.00 0.00 H new ATOM 0 HB VAL A 31 11.090 3.751 6.407 1.00 0.00 H new ATOM 0 HG11 VAL A 31 12.860 5.322 5.733 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.159 3.682 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.537 4.947 4.024 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.549 6.130 6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.130 5.786 4.370 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.166 5.077 5.686 1.00 0.00 H new ATOM 437 N LEU A 32 12.327 1.661 3.556 1.00 0.00 N ATOM 438 CA LEU A 32 13.238 0.521 3.542 1.00 0.00 C ATOM 439 C LEU A 32 14.637 0.937 3.985 1.00 0.00 C ATOM 440 O LEU A 32 14.953 2.125 4.044 1.00 0.00 O ATOM 441 CB LEU A 32 13.296 -0.094 2.142 1.00 0.00 C ATOM 442 CG LEU A 32 12.009 -0.013 1.320 1.00 0.00 C ATOM 443 CD1 LEU A 32 12.243 -0.528 -0.091 1.00 0.00 C ATOM 444 CD2 LEU A 32 10.893 -0.796 1.997 1.00 0.00 C ATOM 0 H LEU A 32 12.420 2.285 2.754 1.00 0.00 H new ATOM 0 HA LEU A 32 12.860 -0.223 4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.092 0.398 1.583 1.00 0.00 H new ATOM 0 HB3 LEU A 32 13.576 -1.143 2.239 1.00 0.00 H new ATOM 0 HG LEU A 32 11.706 1.032 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.316 -0.462 -0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.010 0.075 -0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 32 12.571 -1.567 -0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.985 -0.727 1.398 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.187 -1.841 2.091 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.707 -0.381 2.988 1.00 0.00 H new ATOM 456 N SER A 33 15.472 -0.050 4.293 1.00 0.00 N ATOM 457 CA SER A 33 16.838 0.213 4.732 1.00 0.00 C ATOM 458 C SER A 33 17.574 1.087 3.722 1.00 0.00 C ATOM 459 O SER A 33 18.578 1.721 4.048 1.00 0.00 O ATOM 460 CB SER A 33 17.594 -1.102 4.933 1.00 0.00 C ATOM 461 OG SER A 33 18.762 -0.905 5.711 1.00 0.00 O ATOM 0 H SER A 33 15.227 -1.039 4.247 1.00 0.00 H new ATOM 0 HA SER A 33 16.792 0.746 5.682 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.945 -1.827 5.423 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.865 -1.521 3.964 1.00 0.00 H new ATOM 0 HG SER A 33 19.226 -1.760 5.826 1.00 0.00 H new ATOM 467 N SER A 34 17.068 1.116 2.493 1.00 0.00 N ATOM 468 CA SER A 34 17.678 1.909 1.433 1.00 0.00 C ATOM 469 C SER A 34 16.792 1.930 0.191 1.00 0.00 C ATOM 470 O SER A 34 16.081 0.967 -0.094 1.00 0.00 O ATOM 471 CB SER A 34 19.058 1.351 1.080 1.00 0.00 C ATOM 472 OG SER A 34 19.906 2.367 0.573 1.00 0.00 O ATOM 0 H SER A 34 16.237 0.599 2.207 1.00 0.00 H new ATOM 0 HA SER A 34 17.789 2.931 1.796 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.510 0.904 1.965 1.00 0.00 H new ATOM 0 HB3 SER A 34 18.954 0.557 0.340 1.00 0.00 H new ATOM 0 HG SER A 34 20.782 1.984 0.357 1.00 0.00 H new ATOM 478 N VAL A 35 16.841 3.037 -0.544 1.00 0.00 N ATOM 479 CA VAL A 35 16.045 3.184 -1.757 1.00 0.00 C ATOM 480 C VAL A 35 16.346 2.069 -2.752 1.00 0.00 C ATOM 481 O VAL A 35 17.477 1.927 -3.216 1.00 0.00 O ATOM 482 CB VAL A 35 16.300 4.544 -2.434 1.00 0.00 C ATOM 483 CG1 VAL A 35 17.790 4.845 -2.483 1.00 0.00 C ATOM 484 CG2 VAL A 35 15.697 4.565 -3.830 1.00 0.00 C ATOM 0 H VAL A 35 17.423 3.844 -0.321 1.00 0.00 H new ATOM 0 HA VAL A 35 14.999 3.126 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 35 15.816 5.321 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 35 17.951 5.810 -2.965 1.00 0.00 H new ATOM 0 HG12 VAL A 35 18.189 4.875 -1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 35 18.300 4.067 -3.051 1.00 0.00 H new ATOM 0 HG21 VAL A 35 15.886 5.533 -4.294 1.00 0.00 H new ATOM 0 HG22 VAL A 35 16.150 3.779 -4.434 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.622 4.398 -3.764 1.00 0.00 H new ATOM 494 N ALA A 36 15.326 1.281 -3.075 1.00 0.00 N ATOM 495 CA ALA A 36 15.481 0.180 -4.017 1.00 0.00 C ATOM 496 C ALA A 36 14.334 0.151 -5.022 1.00 0.00 C ATOM 497 O ALA A 36 13.168 0.283 -4.650 1.00 0.00 O ATOM 498 CB ALA A 36 15.565 -1.144 -3.272 1.00 0.00 C ATOM 0 H ALA A 36 14.384 1.385 -2.698 1.00 0.00 H new ATOM 0 HA ALA A 36 16.409 0.334 -4.568 1.00 0.00 H new ATOM 0 HB1 ALA A 36 15.681 -1.958 -3.988 1.00 0.00 H new ATOM 0 HB2 ALA A 36 16.422 -1.129 -2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 36 14.653 -1.295 -2.695 1.00 0.00 H new ATOM 504 N ALA A 37 14.673 -0.021 -6.295 1.00 0.00 N ATOM 505 CA ALA A 37 13.671 -0.067 -7.353 1.00 0.00 C ATOM 506 C ALA A 37 14.265 -0.609 -8.649 1.00 0.00 C ATOM 507 O ALA A 37 15.481 -0.723 -8.802 1.00 0.00 O ATOM 508 CB ALA A 37 13.077 1.315 -7.579 1.00 0.00 C ATOM 0 H ALA A 37 15.634 -0.131 -6.619 1.00 0.00 H new ATOM 0 HA ALA A 37 12.877 -0.744 -7.038 1.00 0.00 H new ATOM 0 HB1 ALA A 37 12.331 1.265 -8.372 1.00 0.00 H new ATOM 0 HB2 ALA A 37 12.607 1.664 -6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 37 13.867 2.008 -7.868 1.00 0.00 H new ATOM 514 N PRO A 38 13.389 -0.951 -9.605 1.00 0.00 N ATOM 515 CA PRO A 38 11.939 -0.820 -9.434 1.00 0.00 C ATOM 516 C PRO A 38 11.381 -1.821 -8.427 1.00 0.00 C ATOM 517 O PRO A 38 11.942 -2.899 -8.233 1.00 0.00 O ATOM 518 CB PRO A 38 11.389 -1.106 -10.833 1.00 0.00 C ATOM 519 CG PRO A 38 12.427 -1.955 -11.482 1.00 0.00 C ATOM 520 CD PRO A 38 13.746 -1.493 -10.926 1.00 0.00 C ATOM 0 HA PRO A 38 11.662 0.160 -9.044 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.430 -1.622 -10.784 1.00 0.00 H new ATOM 0 HB3 PRO A 38 11.227 -0.184 -11.391 1.00 0.00 H new ATOM 0 HG2 PRO A 38 12.260 -3.010 -11.265 1.00 0.00 H new ATOM 0 HG3 PRO A 38 12.400 -1.844 -12.566 1.00 0.00 H new ATOM 0 HD2 PRO A 38 14.457 -2.315 -10.844 1.00 0.00 H new ATOM 0 HD3 PRO A 38 14.206 -0.735 -11.560 1.00 0.00 H new ATOM 528 N VAL A 39 10.273 -1.457 -7.790 1.00 0.00 N ATOM 529 CA VAL A 39 9.638 -2.324 -6.805 1.00 0.00 C ATOM 530 C VAL A 39 8.437 -3.049 -7.403 1.00 0.00 C ATOM 531 O VAL A 39 8.062 -2.810 -8.551 1.00 0.00 O ATOM 532 CB VAL A 39 9.179 -1.528 -5.569 1.00 0.00 C ATOM 533 CG1 VAL A 39 10.367 -1.187 -4.682 1.00 0.00 C ATOM 534 CG2 VAL A 39 8.441 -0.267 -5.992 1.00 0.00 C ATOM 0 H VAL A 39 9.796 -0.567 -7.938 1.00 0.00 H new ATOM 0 HA VAL A 39 10.386 -3.056 -6.500 1.00 0.00 H new ATOM 0 HB VAL A 39 8.492 -2.148 -4.993 1.00 0.00 H new ATOM 0 HG11 VAL A 39 10.023 -0.625 -3.814 1.00 0.00 H new ATOM 0 HG12 VAL A 39 10.850 -2.107 -4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 39 11.080 -0.585 -5.245 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.124 0.283 -5.106 1.00 0.00 H new ATOM 0 HG22 VAL A 39 9.103 0.359 -6.590 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.566 -0.538 -6.583 1.00 0.00 H new ATOM 544 N LYS A 40 7.837 -3.936 -6.617 1.00 0.00 N ATOM 545 CA LYS A 40 6.677 -4.697 -7.066 1.00 0.00 C ATOM 546 C LYS A 40 5.496 -4.496 -6.122 1.00 0.00 C ATOM 547 O LYS A 40 5.615 -4.699 -4.914 1.00 0.00 O ATOM 548 CB LYS A 40 7.022 -6.185 -7.160 1.00 0.00 C ATOM 549 CG LYS A 40 6.036 -6.986 -7.992 1.00 0.00 C ATOM 550 CD LYS A 40 6.232 -8.481 -7.803 1.00 0.00 C ATOM 551 CE LYS A 40 5.108 -9.277 -8.448 1.00 0.00 C ATOM 552 NZ LYS A 40 5.139 -10.709 -8.043 1.00 0.00 N ATOM 0 H LYS A 40 8.135 -4.146 -5.664 1.00 0.00 H new ATOM 0 HA LYS A 40 6.395 -4.333 -8.054 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.018 -6.292 -7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.061 -6.605 -6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.018 -6.714 -7.714 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.157 -6.733 -9.045 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.186 -8.781 -8.235 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.278 -8.711 -6.739 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.148 -8.842 -8.169 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.188 -9.205 -9.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.357 -11.217 -8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.044 -11.132 -8.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.037 -10.780 -7.010 1.00 0.00 H new ATOM 566 N TRP A 41 4.359 -4.099 -6.681 1.00 0.00 N ATOM 567 CA TRP A 41 3.156 -3.874 -5.888 1.00 0.00 C ATOM 568 C TRP A 41 2.027 -4.797 -6.335 1.00 0.00 C ATOM 569 O TRP A 41 1.417 -4.582 -7.383 1.00 0.00 O ATOM 570 CB TRP A 41 2.712 -2.414 -6.001 1.00 0.00 C ATOM 571 CG TRP A 41 3.324 -1.525 -4.961 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.486 -0.816 -5.070 1.00 0.00 C ATOM 573 CD2 TRP A 41 2.807 -1.253 -3.654 1.00 0.00 C ATOM 574 NE1 TRP A 41 4.722 -0.119 -3.909 1.00 0.00 N ATOM 575 CE2 TRP A 41 3.706 -0.370 -3.025 1.00 0.00 C ATOM 576 CE3 TRP A 41 1.671 -1.668 -2.954 1.00 0.00 C ATOM 577 CZ2 TRP A 41 3.503 0.103 -1.731 1.00 0.00 C ATOM 578 CZ3 TRP A 41 1.471 -1.198 -1.670 1.00 0.00 C ATOM 579 CH2 TRP A 41 2.382 -0.319 -1.070 1.00 0.00 C ATOM 0 H TRP A 41 4.245 -3.926 -7.680 1.00 0.00 H new ATOM 0 HA TRP A 41 3.391 -4.097 -4.847 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.974 -2.038 -6.990 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.626 -2.364 -5.918 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.125 -0.805 -5.940 1.00 0.00 H new ATOM 0 HE1 TRP A 41 5.524 0.487 -3.734 1.00 0.00 H new ATOM 0 HE3 TRP A 41 0.962 -2.344 -3.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.205 0.779 -1.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 0.597 -1.514 -1.119 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.196 0.032 -0.066 1.00 0.00 H new ATOM 590 N CYS A 42 1.756 -5.822 -5.536 1.00 0.00 N ATOM 591 CA CYS A 42 0.700 -6.778 -5.851 1.00 0.00 C ATOM 592 C CYS A 42 -0.233 -6.970 -4.659 1.00 0.00 C ATOM 593 O CYS A 42 0.194 -6.900 -3.507 1.00 0.00 O ATOM 594 CB CYS A 42 1.306 -8.121 -6.261 1.00 0.00 C ATOM 595 SG CYS A 42 2.147 -8.993 -4.918 1.00 0.00 S ATOM 0 H CYS A 42 2.252 -6.013 -4.666 1.00 0.00 H new ATOM 0 HA CYS A 42 0.119 -6.380 -6.683 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.515 -8.759 -6.655 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.015 -7.955 -7.072 1.00 0.00 H new ATOM 0 HG CYS A 42 1.748 -8.518 -3.775 1.00 0.00 H new ATOM 601 N TYR A 43 -1.507 -7.211 -4.946 1.00 0.00 N ATOM 602 CA TYR A 43 -2.502 -7.408 -3.898 1.00 0.00 C ATOM 603 C TYR A 43 -3.280 -8.701 -4.123 1.00 0.00 C ATOM 604 O TYR A 43 -4.257 -8.730 -4.870 1.00 0.00 O ATOM 605 CB TYR A 43 -3.466 -6.222 -3.850 1.00 0.00 C ATOM 606 CG TYR A 43 -4.825 -6.568 -3.285 1.00 0.00 C ATOM 607 CD1 TYR A 43 -4.954 -7.092 -2.005 1.00 0.00 C ATOM 608 CD2 TYR A 43 -5.980 -6.369 -4.032 1.00 0.00 C ATOM 609 CE1 TYR A 43 -6.194 -7.410 -1.485 1.00 0.00 C ATOM 610 CE2 TYR A 43 -7.224 -6.683 -3.519 1.00 0.00 C ATOM 611 CZ TYR A 43 -7.325 -7.204 -2.246 1.00 0.00 C ATOM 612 OH TYR A 43 -8.562 -7.518 -1.731 1.00 0.00 O ATOM 0 H TYR A 43 -1.875 -7.275 -5.895 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.979 -7.480 -2.945 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.023 -5.429 -3.248 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -3.591 -5.825 -4.858 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.070 -7.254 -1.406 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -5.904 -5.962 -5.030 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -6.277 -7.818 -0.488 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -8.112 -6.521 -4.112 1.00 0.00 H new ATOM 0 HH TYR A 43 -9.254 -7.312 -2.394 1.00 0.00 H new ATOM 622 N GLY A 44 -2.839 -9.771 -3.468 1.00 0.00 N ATOM 623 CA GLY A 44 -3.505 -11.053 -3.608 1.00 0.00 C ATOM 624 C GLY A 44 -2.797 -11.970 -4.586 1.00 0.00 C ATOM 625 O GLY A 44 -1.781 -12.578 -4.253 1.00 0.00 O ATOM 0 H GLY A 44 -2.033 -9.773 -2.843 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.560 -11.539 -2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.530 -10.892 -3.942 1.00 0.00 H new ATOM 629 N ASN A 45 -3.337 -12.072 -5.796 1.00 0.00 N ATOM 630 CA ASN A 45 -2.752 -12.924 -6.825 1.00 0.00 C ATOM 631 C ASN A 45 -2.174 -12.085 -7.961 1.00 0.00 C ATOM 632 O ASN A 45 -1.001 -12.217 -8.308 1.00 0.00 O ATOM 633 CB ASN A 45 -3.802 -13.891 -7.374 1.00 0.00 C ATOM 634 CG ASN A 45 -5.063 -13.180 -7.826 1.00 0.00 C ATOM 635 OD1 ASN A 45 -5.829 -12.671 -7.008 1.00 0.00 O ATOM 636 ND2 ASN A 45 -5.285 -13.143 -9.135 1.00 0.00 N ATOM 0 H ASN A 45 -4.179 -11.575 -6.088 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.943 -13.496 -6.371 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.379 -14.444 -8.213 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.056 -14.622 -6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.118 -12.679 -9.498 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.623 -13.578 -9.777 1.00 0.00 H new ATOM 643 N ASN A 46 -3.006 -11.223 -8.536 1.00 0.00 N ATOM 644 CA ASN A 46 -2.577 -10.363 -9.633 1.00 0.00 C ATOM 645 C ASN A 46 -1.685 -9.235 -9.123 1.00 0.00 C ATOM 646 O ASN A 46 -1.589 -9.001 -7.918 1.00 0.00 O ATOM 647 CB ASN A 46 -3.793 -9.779 -10.356 1.00 0.00 C ATOM 648 CG ASN A 46 -3.426 -9.141 -11.681 1.00 0.00 C ATOM 649 OD1 ASN A 46 -2.866 -9.792 -12.563 1.00 0.00 O ATOM 650 ND2 ASN A 46 -3.742 -7.859 -11.828 1.00 0.00 N ATOM 0 H ASN A 46 -3.981 -11.101 -8.261 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.002 -10.969 -10.333 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -4.525 -10.569 -10.526 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.269 -9.035 -9.717 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.521 -7.376 -12.699 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.206 -7.358 -11.070 1.00 0.00 H new ATOM 657 N VAL A 47 -1.035 -8.538 -10.049 1.00 0.00 N ATOM 658 CA VAL A 47 -0.152 -7.433 -9.695 1.00 0.00 C ATOM 659 C VAL A 47 -0.780 -6.091 -10.052 1.00 0.00 C ATOM 660 O VAL A 47 -1.403 -5.945 -11.105 1.00 0.00 O ATOM 661 CB VAL A 47 1.211 -7.554 -10.403 1.00 0.00 C ATOM 662 CG1 VAL A 47 1.082 -7.194 -11.875 1.00 0.00 C ATOM 663 CG2 VAL A 47 2.246 -6.674 -9.719 1.00 0.00 C ATOM 0 H VAL A 47 -1.103 -8.719 -11.051 1.00 0.00 H new ATOM 0 HA VAL A 47 0.001 -7.484 -8.617 1.00 0.00 H new ATOM 0 HB VAL A 47 1.546 -8.589 -10.335 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.055 -7.285 -12.358 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.374 -7.870 -12.354 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.725 -6.168 -11.969 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.203 -6.772 -10.232 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.920 -5.634 -9.754 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.358 -6.984 -8.680 1.00 0.00 H new ATOM 673 N LEU A 48 -0.613 -5.112 -9.169 1.00 0.00 N ATOM 674 CA LEU A 48 -1.163 -3.779 -9.391 1.00 0.00 C ATOM 675 C LEU A 48 -0.281 -2.977 -10.342 1.00 0.00 C ATOM 676 O LEU A 48 0.939 -3.142 -10.361 1.00 0.00 O ATOM 677 CB LEU A 48 -1.306 -3.037 -8.061 1.00 0.00 C ATOM 678 CG LEU A 48 -2.212 -3.694 -7.020 1.00 0.00 C ATOM 679 CD1 LEU A 48 -1.874 -3.191 -5.625 1.00 0.00 C ATOM 680 CD2 LEU A 48 -3.675 -3.430 -7.343 1.00 0.00 C ATOM 0 H LEU A 48 -0.101 -5.216 -8.293 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.147 -3.890 -9.846 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.314 -2.918 -7.626 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.687 -2.036 -8.265 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.043 -4.770 -7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.529 -3.670 -4.897 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.837 -3.432 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.014 -2.111 -5.584 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.305 -3.905 -6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.859 -2.356 -7.344 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.910 -3.840 -8.325 1.00 0.00 H new ATOM 692 N ARG A 49 -0.906 -2.107 -11.129 1.00 0.00 N ATOM 693 CA ARG A 49 -0.178 -1.279 -12.082 1.00 0.00 C ATOM 694 C ARG A 49 -0.506 0.198 -11.881 1.00 0.00 C ATOM 695 O ARG A 49 -1.632 0.569 -11.548 1.00 0.00 O ATOM 696 CB ARG A 49 -0.514 -1.696 -13.515 1.00 0.00 C ATOM 697 CG ARG A 49 -0.054 -3.102 -13.863 1.00 0.00 C ATOM 698 CD ARG A 49 0.267 -3.233 -15.344 1.00 0.00 C ATOM 699 NE ARG A 49 1.429 -2.434 -15.724 1.00 0.00 N ATOM 700 CZ ARG A 49 2.674 -2.731 -15.368 1.00 0.00 C ATOM 701 NH1 ARG A 49 2.917 -3.803 -14.627 1.00 0.00 N ATOM 702 NH2 ARG A 49 3.679 -1.955 -15.753 1.00 0.00 N ATOM 0 H ARG A 49 -1.915 -1.958 -11.125 1.00 0.00 H new ATOM 0 HA ARG A 49 0.888 -1.424 -11.909 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.592 -1.629 -13.661 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.054 -0.991 -14.207 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.829 -3.353 -13.275 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.831 -3.817 -13.593 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.453 -4.280 -15.584 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.596 -2.920 -15.931 1.00 0.00 H new ATOM 0 HE ARG A 49 1.276 -1.602 -16.294 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.147 -4.402 -14.329 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.874 -4.029 -14.355 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.496 -1.129 -16.323 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.634 -2.184 -15.479 1.00 0.00 H new ATOM 716 N PRO A 50 0.500 1.061 -12.086 1.00 0.00 N ATOM 717 CA PRO A 50 0.342 2.511 -11.933 1.00 0.00 C ATOM 718 C PRO A 50 -0.532 3.117 -13.025 1.00 0.00 C ATOM 719 O PRO A 50 -0.627 2.581 -14.128 1.00 0.00 O ATOM 720 CB PRO A 50 1.776 3.037 -12.042 1.00 0.00 C ATOM 721 CG PRO A 50 2.497 2.007 -12.842 1.00 0.00 C ATOM 722 CD PRO A 50 1.868 0.689 -12.485 1.00 0.00 C ATOM 0 HA PRO A 50 -0.152 2.771 -10.997 1.00 0.00 H new ATOM 0 HB2 PRO A 50 1.805 4.010 -12.532 1.00 0.00 H new ATOM 0 HB3 PRO A 50 2.228 3.162 -11.058 1.00 0.00 H new ATOM 0 HG2 PRO A 50 2.404 2.207 -13.909 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.562 2.007 -12.609 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.867 0.002 -13.331 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.403 0.195 -11.674 1.00 0.00 H new ATOM 730 N GLY A 51 -1.170 4.241 -12.711 1.00 0.00 N ATOM 731 CA GLY A 51 -2.028 4.902 -13.676 1.00 0.00 C ATOM 732 C GLY A 51 -2.899 5.969 -13.043 1.00 0.00 C ATOM 733 O GLY A 51 -2.459 6.685 -12.143 1.00 0.00 O ATOM 0 H GLY A 51 -1.107 4.705 -11.805 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.413 5.354 -14.454 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.662 4.160 -14.161 1.00 0.00 H new ATOM 737 N ASP A 52 -4.136 6.077 -13.514 1.00 0.00 N ATOM 738 CA ASP A 52 -5.071 7.065 -12.989 1.00 0.00 C ATOM 739 C ASP A 52 -5.687 6.587 -11.678 1.00 0.00 C ATOM 740 O ASP A 52 -5.565 7.246 -10.645 1.00 0.00 O ATOM 741 CB ASP A 52 -6.173 7.350 -14.010 1.00 0.00 C ATOM 742 CG ASP A 52 -5.649 8.058 -15.244 1.00 0.00 C ATOM 743 OD1 ASP A 52 -4.708 7.533 -15.875 1.00 0.00 O ATOM 744 OD2 ASP A 52 -6.182 9.136 -15.580 1.00 0.00 O ATOM 0 H ASP A 52 -4.515 5.492 -14.259 1.00 0.00 H new ATOM 0 HA ASP A 52 -4.519 7.985 -12.797 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -6.643 6.412 -14.305 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -6.946 7.961 -13.545 1.00 0.00 H new ATOM 749 N LYS A 53 -6.351 5.437 -11.726 1.00 0.00 N ATOM 750 CA LYS A 53 -6.986 4.869 -10.544 1.00 0.00 C ATOM 751 C LYS A 53 -6.005 4.801 -9.378 1.00 0.00 C ATOM 752 O LYS A 53 -6.332 5.187 -8.255 1.00 0.00 O ATOM 753 CB LYS A 53 -7.526 3.470 -10.851 1.00 0.00 C ATOM 754 CG LYS A 53 -7.921 2.684 -9.613 1.00 0.00 C ATOM 755 CD LYS A 53 -9.213 3.207 -9.009 1.00 0.00 C ATOM 756 CE LYS A 53 -9.461 2.618 -7.628 1.00 0.00 C ATOM 757 NZ LYS A 53 -8.442 3.069 -6.641 1.00 0.00 N ATOM 0 H LYS A 53 -6.463 4.880 -12.573 1.00 0.00 H new ATOM 0 HA LYS A 53 -7.815 5.518 -10.262 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.393 3.560 -11.506 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -6.769 2.910 -11.400 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.039 1.632 -9.871 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -7.123 2.743 -8.873 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.170 4.294 -8.940 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.048 2.962 -9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.454 2.907 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.450 1.530 -7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.904 3.265 -5.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.728 2.324 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -7.981 3.934 -6.988 1.00 0.00 H new ATOM 771 N TYR A 54 -4.801 4.310 -9.652 1.00 0.00 N ATOM 772 CA TYR A 54 -3.773 4.192 -8.625 1.00 0.00 C ATOM 773 C TYR A 54 -2.707 5.270 -8.794 1.00 0.00 C ATOM 774 O TYR A 54 -2.754 6.063 -9.736 1.00 0.00 O ATOM 775 CB TYR A 54 -3.125 2.807 -8.680 1.00 0.00 C ATOM 776 CG TYR A 54 -4.020 1.700 -8.170 1.00 0.00 C ATOM 777 CD1 TYR A 54 -4.591 1.768 -6.905 1.00 0.00 C ATOM 778 CD2 TYR A 54 -4.294 0.585 -8.953 1.00 0.00 C ATOM 779 CE1 TYR A 54 -5.409 0.759 -6.435 1.00 0.00 C ATOM 780 CE2 TYR A 54 -5.112 -0.428 -8.492 1.00 0.00 C ATOM 781 CZ TYR A 54 -5.667 -0.337 -7.232 1.00 0.00 C ATOM 782 OH TYR A 54 -6.481 -1.345 -6.769 1.00 0.00 O ATOM 0 H TYR A 54 -4.513 3.988 -10.576 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.249 4.326 -7.654 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.841 2.588 -9.709 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.207 2.821 -8.092 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.392 2.625 -6.278 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -3.860 0.509 -9.939 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.844 0.828 -5.449 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.316 -1.287 -9.114 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.561 -2.042 -7.454 1.00 0.00 H new ATOM 792 N SER A 55 -1.747 5.294 -7.876 1.00 0.00 N ATOM 793 CA SER A 55 -0.671 6.276 -7.920 1.00 0.00 C ATOM 794 C SER A 55 0.537 5.796 -7.121 1.00 0.00 C ATOM 795 O SER A 55 0.523 5.799 -5.889 1.00 0.00 O ATOM 796 CB SER A 55 -1.156 7.620 -7.373 1.00 0.00 C ATOM 797 OG SER A 55 -1.932 8.312 -8.335 1.00 0.00 O ATOM 0 H SER A 55 -1.692 4.644 -7.092 1.00 0.00 H new ATOM 0 HA SER A 55 -0.370 6.401 -8.960 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.748 7.457 -6.472 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.299 8.230 -7.085 1.00 0.00 H new ATOM 0 HG SER A 55 -2.224 7.687 -9.031 1.00 0.00 H new ATOM 803 N LEU A 56 1.581 5.382 -7.831 1.00 0.00 N ATOM 804 CA LEU A 56 2.799 4.897 -7.190 1.00 0.00 C ATOM 805 C LEU A 56 3.890 5.962 -7.220 1.00 0.00 C ATOM 806 O LEU A 56 4.325 6.390 -8.289 1.00 0.00 O ATOM 807 CB LEU A 56 3.291 3.625 -7.882 1.00 0.00 C ATOM 808 CG LEU A 56 2.476 2.359 -7.620 1.00 0.00 C ATOM 809 CD1 LEU A 56 1.230 2.336 -8.492 1.00 0.00 C ATOM 810 CD2 LEU A 56 3.323 1.119 -7.864 1.00 0.00 C ATOM 0 H LEU A 56 1.609 5.372 -8.851 1.00 0.00 H new ATOM 0 HA LEU A 56 2.568 4.670 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.310 3.805 -8.957 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.320 3.441 -7.571 1.00 0.00 H new ATOM 0 HG LEU A 56 2.164 2.361 -6.576 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.662 1.427 -8.292 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.613 3.206 -8.268 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.521 2.358 -9.542 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.726 0.227 -7.672 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.666 1.111 -8.898 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.184 1.129 -7.196 1.00 0.00 H new ATOM 822 N ARG A 57 4.331 6.383 -6.039 1.00 0.00 N ATOM 823 CA ARG A 57 5.373 7.397 -5.930 1.00 0.00 C ATOM 824 C ARG A 57 6.452 6.964 -4.941 1.00 0.00 C ATOM 825 O ARG A 57 6.169 6.721 -3.768 1.00 0.00 O ATOM 826 CB ARG A 57 4.771 8.733 -5.492 1.00 0.00 C ATOM 827 CG ARG A 57 5.808 9.815 -5.238 1.00 0.00 C ATOM 828 CD ARG A 57 6.152 10.568 -6.514 1.00 0.00 C ATOM 829 NE ARG A 57 6.671 11.905 -6.237 1.00 0.00 N ATOM 830 CZ ARG A 57 6.772 12.858 -7.156 1.00 0.00 C ATOM 831 NH1 ARG A 57 6.392 12.623 -8.405 1.00 0.00 N ATOM 832 NH2 ARG A 57 7.255 14.050 -6.828 1.00 0.00 N ATOM 0 H ARG A 57 3.983 6.038 -5.145 1.00 0.00 H new ATOM 0 HA ARG A 57 5.831 7.518 -6.912 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.078 9.079 -6.259 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.189 8.579 -4.583 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.430 10.514 -4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.711 9.365 -4.825 1.00 0.00 H new ATOM 0 HD2 ARG A 57 6.891 10.002 -7.081 1.00 0.00 H new ATOM 0 HD3 ARG A 57 5.263 10.647 -7.140 1.00 0.00 H new ATOM 0 HE ARG A 57 6.972 12.118 -5.286 1.00 0.00 H new ATOM 0 HH11 ARG A 57 6.021 11.708 -8.662 1.00 0.00 H new ATOM 0 HH12 ARG A 57 6.471 13.357 -9.109 1.00 0.00 H new ATOM 0 HH21 ARG A 57 7.549 14.235 -5.869 1.00 0.00 H new ATOM 0 HH22 ARG A 57 7.332 14.781 -7.535 1.00 0.00 H new ATOM 846 N GLN A 58 7.687 6.870 -5.423 1.00 0.00 N ATOM 847 CA GLN A 58 8.806 6.465 -4.581 1.00 0.00 C ATOM 848 C GLN A 58 9.723 7.649 -4.288 1.00 0.00 C ATOM 849 O GLN A 58 10.307 8.233 -5.200 1.00 0.00 O ATOM 850 CB GLN A 58 9.600 5.345 -5.255 1.00 0.00 C ATOM 851 CG GLN A 58 10.728 4.797 -4.397 1.00 0.00 C ATOM 852 CD GLN A 58 11.361 3.553 -4.988 1.00 0.00 C ATOM 853 OE1 GLN A 58 11.639 3.494 -6.187 1.00 0.00 O ATOM 854 NE2 GLN A 58 11.592 2.550 -4.150 1.00 0.00 N ATOM 0 H GLN A 58 7.938 7.069 -6.392 1.00 0.00 H new ATOM 0 HA GLN A 58 8.403 6.098 -3.637 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.920 4.532 -5.509 1.00 0.00 H new ATOM 0 HB3 GLN A 58 10.015 5.718 -6.191 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.492 5.565 -4.274 1.00 0.00 H new ATOM 0 HG3 GLN A 58 10.344 4.567 -3.403 1.00 0.00 H new ATOM 0 HE21 GLN A 58 11.346 2.642 -3.164 1.00 0.00 H new ATOM 0 HE22 GLN A 58 12.016 1.687 -4.492 1.00 0.00 H new ATOM 863 N GLU A 59 9.843 7.996 -3.011 1.00 0.00 N ATOM 864 CA GLU A 59 10.688 9.111 -2.600 1.00 0.00 C ATOM 865 C GLU A 59 11.904 8.614 -1.822 1.00 0.00 C ATOM 866 O GLU A 59 11.908 8.609 -0.592 1.00 0.00 O ATOM 867 CB GLU A 59 9.890 10.097 -1.744 1.00 0.00 C ATOM 868 CG GLU A 59 10.695 11.304 -1.294 1.00 0.00 C ATOM 869 CD GLU A 59 9.863 12.303 -0.515 1.00 0.00 C ATOM 870 OE1 GLU A 59 9.088 13.050 -1.148 1.00 0.00 O ATOM 871 OE2 GLU A 59 9.987 12.339 0.728 1.00 0.00 O ATOM 0 H GLU A 59 9.367 7.522 -2.244 1.00 0.00 H new ATOM 0 HA GLU A 59 11.036 9.620 -3.499 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.024 10.439 -2.311 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.510 9.577 -0.865 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.528 10.970 -0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.123 11.796 -2.167 1.00 0.00 H new ATOM 878 N GLY A 60 12.934 8.196 -2.551 1.00 0.00 N ATOM 879 CA GLY A 60 14.141 7.702 -1.914 1.00 0.00 C ATOM 880 C GLY A 60 13.846 6.814 -0.722 1.00 0.00 C ATOM 881 O GLY A 60 13.731 7.294 0.405 1.00 0.00 O ATOM 0 H GLY A 60 12.954 8.191 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.730 7.144 -2.642 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.750 8.547 -1.592 1.00 0.00 H new ATOM 885 N ALA A 61 13.722 5.514 -0.971 1.00 0.00 N ATOM 886 CA ALA A 61 13.438 4.557 0.091 1.00 0.00 C ATOM 887 C ALA A 61 12.128 4.891 0.796 1.00 0.00 C ATOM 888 O ALA A 61 12.083 5.009 2.020 1.00 0.00 O ATOM 889 CB ALA A 61 14.584 4.523 1.091 1.00 0.00 C ATOM 0 H ALA A 61 13.814 5.100 -1.899 1.00 0.00 H new ATOM 0 HA ALA A 61 13.335 3.571 -0.361 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.358 3.804 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.502 4.228 0.583 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.714 5.513 1.529 1.00 0.00 H new ATOM 895 N MET A 62 11.063 5.043 0.015 1.00 0.00 N ATOM 896 CA MET A 62 9.751 5.363 0.566 1.00 0.00 C ATOM 897 C MET A 62 8.663 5.200 -0.491 1.00 0.00 C ATOM 898 O MET A 62 8.579 5.986 -1.436 1.00 0.00 O ATOM 899 CB MET A 62 9.739 6.793 1.111 1.00 0.00 C ATOM 900 CG MET A 62 8.732 7.007 2.230 1.00 0.00 C ATOM 901 SD MET A 62 8.522 8.748 2.651 1.00 0.00 S ATOM 902 CE MET A 62 8.623 8.679 4.438 1.00 0.00 C ATOM 0 H MET A 62 11.083 4.950 -1.001 1.00 0.00 H new ATOM 0 HA MET A 62 9.547 4.669 1.381 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.735 7.042 1.477 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.517 7.482 0.296 1.00 0.00 H new ATOM 0 HG2 MET A 62 7.770 6.590 1.932 1.00 0.00 H new ATOM 0 HG3 MET A 62 9.056 6.460 3.115 1.00 0.00 H new ATOM 0 HE1 MET A 62 8.511 9.683 4.848 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.829 8.039 4.823 1.00 0.00 H new ATOM 0 HE3 MET A 62 9.591 8.273 4.732 1.00 0.00 H new ATOM 912 N LEU A 63 7.833 4.176 -0.325 1.00 0.00 N ATOM 913 CA LEU A 63 6.750 3.910 -1.266 1.00 0.00 C ATOM 914 C LEU A 63 5.456 4.574 -0.807 1.00 0.00 C ATOM 915 O LEU A 63 5.253 4.802 0.385 1.00 0.00 O ATOM 916 CB LEU A 63 6.538 2.403 -1.416 1.00 0.00 C ATOM 917 CG LEU A 63 7.671 1.630 -2.092 1.00 0.00 C ATOM 918 CD1 LEU A 63 8.287 2.455 -3.211 1.00 0.00 C ATOM 919 CD2 LEU A 63 8.730 1.236 -1.072 1.00 0.00 C ATOM 0 H LEU A 63 7.889 3.517 0.451 1.00 0.00 H new ATOM 0 HA LEU A 63 7.029 4.329 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.376 1.979 -0.425 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.623 2.240 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 63 7.256 0.720 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.091 1.889 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.524 2.686 -3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.687 3.382 -2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 63 9.529 0.687 -1.570 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.141 2.133 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.280 0.606 -0.305 1.00 0.00 H new ATOM 931 N GLU A 64 4.583 4.880 -1.763 1.00 0.00 N ATOM 932 CA GLU A 64 3.307 5.517 -1.456 1.00 0.00 C ATOM 933 C GLU A 64 2.229 5.078 -2.442 1.00 0.00 C ATOM 934 O GLU A 64 2.239 5.475 -3.608 1.00 0.00 O ATOM 935 CB GLU A 64 3.452 7.040 -1.486 1.00 0.00 C ATOM 936 CG GLU A 64 2.207 7.778 -1.024 1.00 0.00 C ATOM 937 CD GLU A 64 2.258 9.261 -1.339 1.00 0.00 C ATOM 938 OE1 GLU A 64 3.157 9.949 -0.813 1.00 0.00 O ATOM 939 OE2 GLU A 64 1.398 9.732 -2.113 1.00 0.00 O ATOM 0 H GLU A 64 4.736 4.697 -2.755 1.00 0.00 H new ATOM 0 HA GLU A 64 3.007 5.208 -0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.291 7.329 -0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.695 7.354 -2.501 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.331 7.339 -1.501 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.086 7.642 0.051 1.00 0.00 H new ATOM 946 N LEU A 65 1.300 4.255 -1.967 1.00 0.00 N ATOM 947 CA LEU A 65 0.214 3.761 -2.806 1.00 0.00 C ATOM 948 C LEU A 65 -1.108 4.423 -2.432 1.00 0.00 C ATOM 949 O LEU A 65 -1.642 4.198 -1.346 1.00 0.00 O ATOM 950 CB LEU A 65 0.092 2.242 -2.673 1.00 0.00 C ATOM 951 CG LEU A 65 -1.256 1.640 -3.070 1.00 0.00 C ATOM 952 CD1 LEU A 65 -1.382 1.562 -4.583 1.00 0.00 C ATOM 953 CD2 LEU A 65 -1.429 0.262 -2.447 1.00 0.00 C ATOM 0 H LEU A 65 1.277 3.916 -1.005 1.00 0.00 H new ATOM 0 HA LEU A 65 0.445 4.012 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.868 1.780 -3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.298 1.970 -1.638 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.046 2.289 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.348 1.131 -4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.304 2.563 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.584 0.936 -4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.394 -0.151 -2.740 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.632 -0.396 -2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.385 0.346 -1.361 1.00 0.00 H new ATOM 965 N VAL A 66 -1.632 5.240 -3.340 1.00 0.00 N ATOM 966 CA VAL A 66 -2.894 5.933 -3.107 1.00 0.00 C ATOM 967 C VAL A 66 -4.046 5.230 -3.816 1.00 0.00 C ATOM 968 O VAL A 66 -3.987 4.976 -5.019 1.00 0.00 O ATOM 969 CB VAL A 66 -2.828 7.396 -3.585 1.00 0.00 C ATOM 970 CG1 VAL A 66 -4.151 8.101 -3.331 1.00 0.00 C ATOM 971 CG2 VAL A 66 -1.683 8.128 -2.901 1.00 0.00 C ATOM 0 H VAL A 66 -1.202 5.438 -4.244 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.069 5.918 -2.031 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.642 7.402 -4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.085 9.133 -3.675 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.946 7.588 -3.872 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.371 8.088 -2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.651 9.160 -3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.836 8.115 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.741 7.634 -3.140 1.00 0.00 H new ATOM 981 N VAL A 67 -5.095 4.917 -3.062 1.00 0.00 N ATOM 982 CA VAL A 67 -6.263 4.244 -3.618 1.00 0.00 C ATOM 983 C VAL A 67 -7.508 5.115 -3.498 1.00 0.00 C ATOM 984 O VAL A 67 -8.054 5.289 -2.408 1.00 0.00 O ATOM 985 CB VAL A 67 -6.522 2.898 -2.916 1.00 0.00 C ATOM 986 CG1 VAL A 67 -7.767 2.231 -3.481 1.00 0.00 C ATOM 987 CG2 VAL A 67 -5.312 1.986 -3.049 1.00 0.00 C ATOM 0 H VAL A 67 -5.160 5.119 -2.064 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.051 4.061 -4.671 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.690 3.088 -1.856 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.934 1.281 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.629 2.881 -3.328 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.632 2.053 -4.548 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.513 1.040 -2.547 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.110 1.802 -4.104 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.445 2.463 -2.591 1.00 0.00 H new ATOM 997 N ARG A 68 -7.953 5.660 -4.625 1.00 0.00 N ATOM 998 CA ARG A 68 -9.134 6.514 -4.647 1.00 0.00 C ATOM 999 C ARG A 68 -10.410 5.678 -4.614 1.00 0.00 C ATOM 1000 O ARG A 68 -10.411 4.513 -5.008 1.00 0.00 O ATOM 1001 CB ARG A 68 -9.125 7.402 -5.893 1.00 0.00 C ATOM 1002 CG ARG A 68 -8.030 8.456 -5.882 1.00 0.00 C ATOM 1003 CD ARG A 68 -8.373 9.605 -4.946 1.00 0.00 C ATOM 1004 NE ARG A 68 -7.515 10.766 -5.168 1.00 0.00 N ATOM 1005 CZ ARG A 68 -7.802 11.986 -4.730 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -8.919 12.204 -4.049 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -6.971 12.992 -4.972 1.00 0.00 N ATOM 0 H ARG A 68 -7.513 5.525 -5.535 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.111 7.146 -3.759 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -9.004 6.774 -6.776 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.092 7.896 -5.984 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.089 8.001 -5.572 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.882 8.839 -6.892 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.415 9.891 -5.090 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.274 9.273 -3.913 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.648 10.632 -5.688 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.560 11.433 -3.861 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.137 13.142 -3.714 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.111 12.828 -5.495 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.193 13.929 -4.635 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.495 6.283 -4.140 1.00 0.00 N ATOM 1022 CA ASN A 69 -12.778 5.594 -4.054 1.00 0.00 C ATOM 1023 C ASN A 69 -12.697 4.412 -3.093 1.00 0.00 C ATOM 1024 O ASN A 69 -13.020 3.279 -3.455 1.00 0.00 O ATOM 1025 CB ASN A 69 -13.215 5.111 -5.438 1.00 0.00 C ATOM 1026 CG ASN A 69 -13.998 6.165 -6.198 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -14.214 7.271 -5.702 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -14.427 5.825 -7.408 1.00 0.00 N ATOM 0 H ASN A 69 -11.511 7.248 -3.810 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.516 6.300 -3.673 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.335 4.829 -6.016 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -13.826 4.215 -5.331 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -14.959 6.492 -7.967 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.224 4.897 -7.779 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.265 4.682 -1.866 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.142 3.641 -0.851 1.00 0.00 C ATOM 1037 C LEU A 70 -13.486 2.965 -0.600 1.00 0.00 C ATOM 1038 O LEU A 70 -14.538 3.508 -0.936 1.00 0.00 O ATOM 1039 CB LEU A 70 -11.604 4.233 0.452 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.083 4.352 0.558 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -9.695 5.168 1.782 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -9.443 2.972 0.610 1.00 0.00 C ATOM 0 H LEU A 70 -11.994 5.613 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.442 2.891 -1.218 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.036 5.225 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.959 3.620 1.280 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.715 4.868 -0.329 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.609 5.242 1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.123 6.167 1.704 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.075 4.680 2.680 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.361 3.076 0.685 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.817 2.430 1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.693 2.421 -0.297 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.443 1.778 -0.004 1.00 0.00 N ATOM 1055 CA ARG A 71 -14.657 1.028 0.294 1.00 0.00 C ATOM 1056 C ARG A 71 -14.365 -0.118 1.258 1.00 0.00 C ATOM 1057 O ARG A 71 -13.256 -0.650 1.312 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.273 0.480 -0.995 1.00 0.00 C ATOM 1059 CG ARG A 71 -14.267 -0.200 -1.909 1.00 0.00 C ATOM 1060 CD ARG A 71 -13.621 0.793 -2.863 1.00 0.00 C ATOM 1061 NE ARG A 71 -13.024 0.132 -4.020 1.00 0.00 N ATOM 1062 CZ ARG A 71 -13.729 -0.522 -4.937 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -15.048 -0.602 -4.832 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -13.113 -1.098 -5.962 1.00 0.00 N ATOM 0 H ARG A 71 -12.580 1.315 0.282 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.366 1.707 0.768 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -16.058 -0.232 -0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.749 1.298 -1.537 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.496 -0.683 -1.308 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -14.764 -0.984 -2.480 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -14.369 1.510 -3.201 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -12.854 1.358 -2.333 1.00 0.00 H new ATOM 0 HE ARG A 71 -12.011 0.175 -4.130 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -15.525 -0.161 -4.046 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -15.586 -1.105 -5.538 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.098 -1.039 -6.046 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.654 -1.600 -6.666 1.00 0.00 H new ATOM 1078 N PRO A 72 -15.383 -0.509 2.039 1.00 0.00 N ATOM 1079 CA PRO A 72 -15.261 -1.595 3.015 1.00 0.00 C ATOM 1080 C PRO A 72 -15.119 -2.960 2.349 1.00 0.00 C ATOM 1081 O PRO A 72 -14.770 -3.944 3.000 1.00 0.00 O ATOM 1082 CB PRO A 72 -16.573 -1.517 3.800 1.00 0.00 C ATOM 1083 CG PRO A 72 -17.538 -0.879 2.862 1.00 0.00 C ATOM 1084 CD PRO A 72 -16.733 0.080 2.028 1.00 0.00 C ATOM 0 HA PRO A 72 -14.371 -1.487 3.635 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.912 -2.507 4.104 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -16.456 -0.927 4.709 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.026 -1.626 2.236 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -18.325 -0.357 3.407 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.128 0.161 1.015 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -16.737 1.084 2.453 1.00 0.00 H new ATOM 1092 N GLN A 73 -15.392 -3.010 1.050 1.00 0.00 N ATOM 1093 CA GLN A 73 -15.295 -4.255 0.297 1.00 0.00 C ATOM 1094 C GLN A 73 -13.860 -4.510 -0.151 1.00 0.00 C ATOM 1095 O GLN A 73 -13.541 -5.583 -0.664 1.00 0.00 O ATOM 1096 CB GLN A 73 -16.222 -4.214 -0.920 1.00 0.00 C ATOM 1097 CG GLN A 73 -17.685 -4.005 -0.563 1.00 0.00 C ATOM 1098 CD GLN A 73 -18.311 -5.230 0.074 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -18.817 -6.114 -0.617 1.00 0.00 O ATOM 1100 NE2 GLN A 73 -18.280 -5.288 1.401 1.00 0.00 N ATOM 0 H GLN A 73 -15.682 -2.204 0.497 1.00 0.00 H new ATOM 0 HA GLN A 73 -15.602 -5.070 0.952 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -15.901 -3.412 -1.584 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -16.122 -5.147 -1.475 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -17.771 -3.161 0.121 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -18.241 -3.744 -1.463 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -17.850 -4.532 1.935 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -18.686 -6.088 1.886 1.00 0.00 H new ATOM 1109 N ASP A 74 -12.999 -3.517 0.046 1.00 0.00 N ATOM 1110 CA ASP A 74 -11.597 -3.634 -0.337 1.00 0.00 C ATOM 1111 C ASP A 74 -10.766 -4.202 0.809 1.00 0.00 C ATOM 1112 O ASP A 74 -9.740 -4.845 0.586 1.00 0.00 O ATOM 1113 CB ASP A 74 -11.046 -2.271 -0.757 1.00 0.00 C ATOM 1114 CG ASP A 74 -9.756 -2.386 -1.545 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -9.520 -3.456 -2.145 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -8.981 -1.406 -1.562 1.00 0.00 O ATOM 0 H ASP A 74 -13.248 -2.623 0.469 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.533 -4.319 -1.182 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.791 -1.751 -1.359 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.873 -1.663 0.131 1.00 0.00 H new ATOM 1121 N SER A 75 -11.215 -3.959 2.036 1.00 0.00 N ATOM 1122 CA SER A 75 -10.511 -4.441 3.218 1.00 0.00 C ATOM 1123 C SER A 75 -9.986 -5.857 2.998 1.00 0.00 C ATOM 1124 O SER A 75 -10.738 -6.828 3.071 1.00 0.00 O ATOM 1125 CB SER A 75 -11.435 -4.412 4.437 1.00 0.00 C ATOM 1126 OG SER A 75 -11.627 -3.086 4.900 1.00 0.00 O ATOM 0 H SER A 75 -12.064 -3.431 2.237 1.00 0.00 H new ATOM 0 HA SER A 75 -9.663 -3.781 3.399 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.398 -4.853 4.178 1.00 0.00 H new ATOM 0 HB3 SER A 75 -11.009 -5.021 5.235 1.00 0.00 H new ATOM 0 HG SER A 75 -12.222 -3.094 5.678 1.00 0.00 H new ATOM 1132 N GLY A 76 -8.689 -5.965 2.726 1.00 0.00 N ATOM 1133 CA GLY A 76 -8.084 -7.264 2.499 1.00 0.00 C ATOM 1134 C GLY A 76 -6.701 -7.375 3.107 1.00 0.00 C ATOM 1135 O GLY A 76 -6.489 -6.992 4.258 1.00 0.00 O ATOM 0 H GLY A 76 -8.047 -5.176 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.725 -8.038 2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -8.022 -7.450 1.427 1.00 0.00 H new ATOM 1139 N ARG A 77 -5.756 -7.901 2.334 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.386 -8.063 2.805 1.00 0.00 C ATOM 1141 C ARG A 77 -3.394 -7.472 1.807 1.00 0.00 C ATOM 1142 O ARG A 77 -3.156 -8.042 0.742 1.00 0.00 O ATOM 1143 CB ARG A 77 -4.075 -9.543 3.034 1.00 0.00 C ATOM 1144 CG ARG A 77 -2.810 -9.782 3.842 1.00 0.00 C ATOM 1145 CD ARG A 77 -2.468 -11.262 3.918 1.00 0.00 C ATOM 1146 NE ARG A 77 -1.971 -11.775 2.645 1.00 0.00 N ATOM 1147 CZ ARG A 77 -1.746 -13.063 2.409 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -1.974 -13.963 3.355 1.00 0.00 N ATOM 1149 NH2 ARG A 77 -1.293 -13.452 1.224 1.00 0.00 N ATOM 0 H ARG A 77 -5.914 -8.222 1.379 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.287 -7.527 3.749 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.917 -10.007 3.548 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -3.978 -10.039 2.068 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.980 -9.239 3.390 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.940 -9.385 4.849 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -1.716 -11.421 4.691 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -3.354 -11.824 4.214 1.00 0.00 H new ATOM 0 HE ARG A 77 -1.786 -11.108 1.896 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -2.323 -13.667 4.267 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -1.800 -14.951 3.171 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -1.117 -12.762 0.494 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -1.120 -14.441 1.044 1.00 0.00 H new ATOM 1163 N TYR A 78 -2.820 -6.327 2.159 1.00 0.00 N ATOM 1164 CA TYR A 78 -1.857 -5.658 1.293 1.00 0.00 C ATOM 1165 C TYR A 78 -0.428 -6.025 1.681 1.00 0.00 C ATOM 1166 O TYR A 78 -0.003 -5.799 2.814 1.00 0.00 O ATOM 1167 CB TYR A 78 -2.043 -4.141 1.365 1.00 0.00 C ATOM 1168 CG TYR A 78 -3.442 -3.685 1.015 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -3.788 -3.383 -0.296 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -4.417 -3.555 1.997 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.064 -2.966 -0.620 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -5.696 -3.140 1.682 1.00 0.00 C ATOM 1173 CZ TYR A 78 -6.015 -2.846 0.372 1.00 0.00 C ATOM 1174 OH TYR A 78 -7.288 -2.431 0.055 1.00 0.00 O ATOM 0 H TYR A 78 -3.005 -5.843 3.038 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.033 -5.991 0.270 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -1.800 -3.801 2.372 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.334 -3.664 0.688 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -3.046 -3.476 -1.075 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -4.170 -3.782 3.024 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -5.316 -2.735 -1.644 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -6.443 -3.046 2.457 1.00 0.00 H new ATOM 0 HH TYR A 78 -7.287 -2.024 -0.837 1.00 0.00 H new ATOM 1184 N SER A 79 0.309 -6.592 0.731 1.00 0.00 N ATOM 1185 CA SER A 79 1.689 -6.994 0.973 1.00 0.00 C ATOM 1186 C SER A 79 2.596 -6.534 -0.164 1.00 0.00 C ATOM 1187 O SER A 79 2.362 -6.858 -1.329 1.00 0.00 O ATOM 1188 CB SER A 79 1.780 -8.514 1.130 1.00 0.00 C ATOM 1189 OG SER A 79 1.180 -9.177 0.031 1.00 0.00 O ATOM 0 H SER A 79 -0.027 -6.783 -0.213 1.00 0.00 H new ATOM 0 HA SER A 79 2.023 -6.520 1.896 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.825 -8.812 1.212 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.288 -8.817 2.054 1.00 0.00 H new ATOM 0 HG SER A 79 1.333 -8.659 -0.787 1.00 0.00 H new ATOM 1195 N CYS A 80 3.632 -5.778 0.183 1.00 0.00 N ATOM 1196 CA CYS A 80 4.575 -5.272 -0.808 1.00 0.00 C ATOM 1197 C CYS A 80 5.774 -6.205 -0.944 1.00 0.00 C ATOM 1198 O CYS A 80 6.544 -6.383 -0.001 1.00 0.00 O ATOM 1199 CB CYS A 80 5.046 -3.869 -0.424 1.00 0.00 C ATOM 1200 SG CYS A 80 6.225 -3.142 -1.587 1.00 0.00 S ATOM 0 H CYS A 80 3.840 -5.502 1.143 1.00 0.00 H new ATOM 0 HA CYS A 80 4.064 -5.225 -1.769 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.178 -3.214 -0.346 1.00 0.00 H new ATOM 0 HB3 CYS A 80 5.504 -3.909 0.564 1.00 0.00 H new ATOM 0 HG CYS A 80 6.563 -1.955 -1.178 1.00 0.00 H new ATOM 1206 N SER A 81 5.925 -6.799 -2.124 1.00 0.00 N ATOM 1207 CA SER A 81 7.027 -7.718 -2.382 1.00 0.00 C ATOM 1208 C SER A 81 8.266 -6.962 -2.852 1.00 0.00 C ATOM 1209 O SER A 81 8.211 -6.191 -3.809 1.00 0.00 O ATOM 1210 CB SER A 81 6.619 -8.755 -3.430 1.00 0.00 C ATOM 1211 OG SER A 81 7.715 -9.581 -3.784 1.00 0.00 O ATOM 0 H SER A 81 5.298 -6.660 -2.916 1.00 0.00 H new ATOM 0 HA SER A 81 7.267 -8.230 -1.450 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.807 -9.370 -3.041 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.239 -8.249 -4.318 1.00 0.00 H new ATOM 0 HG SER A 81 7.428 -10.236 -4.454 1.00 0.00 H new ATOM 1217 N PHE A 82 9.384 -7.190 -2.170 1.00 0.00 N ATOM 1218 CA PHE A 82 10.638 -6.530 -2.516 1.00 0.00 C ATOM 1219 C PHE A 82 11.827 -7.275 -1.917 1.00 0.00 C ATOM 1220 O PHE A 82 11.778 -7.730 -0.775 1.00 0.00 O ATOM 1221 CB PHE A 82 10.629 -5.081 -2.025 1.00 0.00 C ATOM 1222 CG PHE A 82 12.002 -4.517 -1.799 1.00 0.00 C ATOM 1223 CD1 PHE A 82 12.878 -4.344 -2.859 1.00 0.00 C ATOM 1224 CD2 PHE A 82 12.417 -4.159 -0.527 1.00 0.00 C ATOM 1225 CE1 PHE A 82 14.142 -3.825 -2.654 1.00 0.00 C ATOM 1226 CE2 PHE A 82 13.680 -3.638 -0.316 1.00 0.00 C ATOM 1227 CZ PHE A 82 14.544 -3.472 -1.381 1.00 0.00 C ATOM 0 H PHE A 82 9.447 -7.826 -1.375 1.00 0.00 H new ATOM 0 HA PHE A 82 10.736 -6.537 -3.602 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.106 -4.462 -2.754 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.064 -5.024 -1.095 1.00 0.00 H new ATOM 0 HD1 PHE A 82 12.569 -4.618 -3.857 1.00 0.00 H new ATOM 0 HD2 PHE A 82 11.746 -4.288 0.310 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.815 -3.696 -3.489 1.00 0.00 H new ATOM 0 HE2 PHE A 82 13.991 -3.361 0.681 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.532 -3.067 -1.218 1.00 0.00 H new ATOM 1237 N GLY A 83 12.897 -7.396 -2.698 1.00 0.00 N ATOM 1238 CA GLY A 83 14.084 -8.087 -2.229 1.00 0.00 C ATOM 1239 C GLY A 83 13.814 -9.540 -1.891 1.00 0.00 C ATOM 1240 O GLY A 83 13.528 -10.347 -2.775 1.00 0.00 O ATOM 0 H GLY A 83 12.963 -7.028 -3.647 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.858 -8.033 -2.994 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.472 -7.578 -1.347 1.00 0.00 H new ATOM 1244 N ASP A 84 13.906 -9.874 -0.608 1.00 0.00 N ATOM 1245 CA ASP A 84 13.670 -11.240 -0.156 1.00 0.00 C ATOM 1246 C ASP A 84 12.560 -11.282 0.890 1.00 0.00 C ATOM 1247 O ASP A 84 11.815 -12.257 0.979 1.00 0.00 O ATOM 1248 CB ASP A 84 14.954 -11.838 0.421 1.00 0.00 C ATOM 1249 CG ASP A 84 15.516 -11.011 1.561 1.00 0.00 C ATOM 1250 OD1 ASP A 84 15.648 -9.781 1.392 1.00 0.00 O ATOM 1251 OD2 ASP A 84 15.826 -11.594 2.621 1.00 0.00 O ATOM 0 H ASP A 84 14.142 -9.218 0.136 1.00 0.00 H new ATOM 0 HA ASP A 84 13.357 -11.832 -1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 84 14.754 -12.850 0.774 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.701 -11.918 -0.369 1.00 0.00 H new ATOM 1256 N GLN A 85 12.457 -10.217 1.680 1.00 0.00 N ATOM 1257 CA GLN A 85 11.440 -10.134 2.721 1.00 0.00 C ATOM 1258 C GLN A 85 10.099 -9.701 2.137 1.00 0.00 C ATOM 1259 O GLN A 85 10.039 -9.120 1.053 1.00 0.00 O ATOM 1260 CB GLN A 85 11.875 -9.154 3.812 1.00 0.00 C ATOM 1261 CG GLN A 85 12.970 -9.697 4.715 1.00 0.00 C ATOM 1262 CD GLN A 85 12.970 -9.051 6.086 1.00 0.00 C ATOM 1263 OE1 GLN A 85 13.099 -7.832 6.211 1.00 0.00 O ATOM 1264 NE2 GLN A 85 12.824 -9.865 7.125 1.00 0.00 N ATOM 0 H GLN A 85 13.065 -9.401 1.618 1.00 0.00 H new ATOM 0 HA GLN A 85 11.322 -11.125 3.159 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.224 -8.234 3.344 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.009 -8.893 4.421 1.00 0.00 H new ATOM 0 HG2 GLN A 85 12.844 -10.774 4.825 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.939 -9.536 4.242 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.720 -10.869 6.976 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.816 -9.487 8.072 1.00 0.00 H new ATOM 1273 N THR A 86 9.023 -9.988 2.864 1.00 0.00 N ATOM 1274 CA THR A 86 7.682 -9.630 2.418 1.00 0.00 C ATOM 1275 C THR A 86 6.839 -9.107 3.575 1.00 0.00 C ATOM 1276 O THR A 86 6.679 -9.780 4.594 1.00 0.00 O ATOM 1277 CB THR A 86 6.964 -10.832 1.777 1.00 0.00 C ATOM 1278 OG1 THR A 86 7.823 -11.465 0.823 1.00 0.00 O ATOM 1279 CG2 THR A 86 5.677 -10.393 1.094 1.00 0.00 C ATOM 0 H THR A 86 9.054 -10.467 3.764 1.00 0.00 H new ATOM 0 HA THR A 86 7.797 -8.844 1.671 1.00 0.00 H new ATOM 0 HB THR A 86 6.715 -11.540 2.567 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.359 -12.229 0.421 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.188 -11.259 0.649 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.012 -9.938 1.828 1.00 0.00 H new ATOM 0 HG23 THR A 86 5.908 -9.666 0.315 1.00 0.00 H new ATOM 1287 N THR A 87 6.301 -7.902 3.412 1.00 0.00 N ATOM 1288 CA THR A 87 5.475 -7.289 4.444 1.00 0.00 C ATOM 1289 C THR A 87 3.992 -7.489 4.152 1.00 0.00 C ATOM 1290 O THR A 87 3.604 -7.755 3.015 1.00 0.00 O ATOM 1291 CB THR A 87 5.762 -5.781 4.571 1.00 0.00 C ATOM 1292 OG1 THR A 87 4.956 -5.214 5.609 1.00 0.00 O ATOM 1293 CG2 THR A 87 5.485 -5.064 3.258 1.00 0.00 C ATOM 0 H THR A 87 6.423 -7.332 2.575 1.00 0.00 H new ATOM 0 HA THR A 87 5.727 -7.780 5.384 1.00 0.00 H new ATOM 0 HB THR A 87 6.816 -5.655 4.820 1.00 0.00 H new ATOM 0 HG1 THR A 87 4.453 -4.451 5.253 1.00 0.00 H new ATOM 0 HG21 THR A 87 5.695 -4.001 3.373 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.122 -5.477 2.476 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.439 -5.200 2.983 1.00 0.00 H new ATOM 1301 N SER A 88 3.167 -7.358 5.186 1.00 0.00 N ATOM 1302 CA SER A 88 1.726 -7.528 5.040 1.00 0.00 C ATOM 1303 C SER A 88 0.974 -6.697 6.076 1.00 0.00 C ATOM 1304 O SER A 88 1.306 -6.713 7.261 1.00 0.00 O ATOM 1305 CB SER A 88 1.348 -9.003 5.181 1.00 0.00 C ATOM 1306 OG SER A 88 1.412 -9.420 6.534 1.00 0.00 O ATOM 0 H SER A 88 3.472 -7.135 6.134 1.00 0.00 H new ATOM 0 HA SER A 88 1.443 -7.182 4.046 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.341 -9.162 4.796 1.00 0.00 H new ATOM 0 HB3 SER A 88 2.020 -9.613 4.577 1.00 0.00 H new ATOM 0 HG SER A 88 1.164 -10.366 6.597 1.00 0.00 H new ATOM 1312 N ALA A 89 -0.042 -5.973 5.620 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.844 -5.137 6.505 1.00 0.00 C ATOM 1314 C ALA A 89 -2.314 -5.163 6.102 1.00 0.00 C ATOM 1315 O ALA A 89 -2.676 -5.722 5.067 1.00 0.00 O ATOM 1316 CB ALA A 89 -0.318 -3.709 6.503 1.00 0.00 C ATOM 0 H ALA A 89 -0.330 -5.948 4.642 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.765 -5.540 7.515 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.926 -3.096 7.168 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.716 -3.702 6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.366 -3.305 5.492 1.00 0.00 H new ATOM 1322 N THR A 90 -3.160 -4.553 6.928 1.00 0.00 N ATOM 1323 CA THR A 90 -4.591 -4.508 6.658 1.00 0.00 C ATOM 1324 C THR A 90 -5.144 -3.101 6.856 1.00 0.00 C ATOM 1325 O THR A 90 -4.717 -2.376 7.757 1.00 0.00 O ATOM 1326 CB THR A 90 -5.365 -5.483 7.566 1.00 0.00 C ATOM 1327 OG1 THR A 90 -4.793 -6.793 7.477 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.834 -5.538 7.173 1.00 0.00 C ATOM 0 H THR A 90 -2.878 -4.084 7.789 1.00 0.00 H new ATOM 0 HA THR A 90 -4.726 -4.806 5.618 1.00 0.00 H new ATOM 0 HB THR A 90 -5.293 -5.124 8.593 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.289 -7.407 8.058 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.360 -6.233 7.828 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.274 -4.545 7.269 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.922 -5.876 6.140 1.00 0.00 H new ATOM 1336 N LEU A 91 -6.094 -2.719 6.011 1.00 0.00 N ATOM 1337 CA LEU A 91 -6.706 -1.397 6.093 1.00 0.00 C ATOM 1338 C LEU A 91 -8.049 -1.463 6.814 1.00 0.00 C ATOM 1339 O LEU A 91 -8.810 -2.417 6.648 1.00 0.00 O ATOM 1340 CB LEU A 91 -6.895 -0.813 4.693 1.00 0.00 C ATOM 1341 CG LEU A 91 -7.455 0.609 4.629 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -6.510 1.586 5.311 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -7.700 1.021 3.184 1.00 0.00 C ATOM 0 H LEU A 91 -6.458 -3.306 5.260 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.039 -0.750 6.663 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -5.932 -0.826 4.183 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.561 -1.470 4.134 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.408 0.628 5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.925 2.592 5.256 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.385 1.302 6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.542 1.565 4.811 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.098 2.035 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -6.761 0.985 2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.416 0.338 2.727 1.00 0.00 H new ATOM 1355 N THR A 92 -8.336 -0.442 7.615 1.00 0.00 N ATOM 1356 CA THR A 92 -9.587 -0.382 8.361 1.00 0.00 C ATOM 1357 C THR A 92 -10.527 0.664 7.774 1.00 0.00 C ATOM 1358 O THR A 92 -10.379 1.859 8.030 1.00 0.00 O ATOM 1359 CB THR A 92 -9.340 -0.060 9.847 1.00 0.00 C ATOM 1360 OG1 THR A 92 -8.520 -1.073 10.438 1.00 0.00 O ATOM 1361 CG2 THR A 92 -10.656 0.041 10.604 1.00 0.00 C ATOM 0 H THR A 92 -7.718 0.356 7.764 1.00 0.00 H new ATOM 0 HA THR A 92 -10.050 -1.366 8.283 1.00 0.00 H new ATOM 0 HB THR A 92 -8.829 0.901 9.908 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.366 -0.860 11.382 1.00 0.00 H new ATOM 0 HG21 THR A 92 -10.457 0.269 11.651 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.266 0.833 10.170 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.190 -0.907 10.534 1.00 0.00 H new ATOM 1369 N VAL A 93 -11.496 0.208 6.987 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.462 1.105 6.365 1.00 0.00 C ATOM 1371 C VAL A 93 -13.852 0.915 6.963 1.00 0.00 C ATOM 1372 O VAL A 93 -14.422 -0.175 6.905 1.00 0.00 O ATOM 1373 CB VAL A 93 -12.536 0.884 4.843 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -13.509 1.865 4.207 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.154 1.011 4.219 1.00 0.00 C ATOM 0 H VAL A 93 -11.633 -0.778 6.765 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.121 2.122 6.560 1.00 0.00 H new ATOM 0 HB VAL A 93 -12.903 -0.126 4.657 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.548 1.693 3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.502 1.721 4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.176 2.885 4.400 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.225 0.852 3.143 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -10.757 2.007 4.413 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.489 0.265 4.653 1.00 0.00 H new ATOM 1385 N THR A 94 -14.394 1.984 7.538 1.00 0.00 N ATOM 1386 CA THR A 94 -15.718 1.936 8.147 1.00 0.00 C ATOM 1387 C THR A 94 -16.812 2.096 7.098 1.00 0.00 C ATOM 1388 O THR A 94 -16.746 2.984 6.249 1.00 0.00 O ATOM 1389 CB THR A 94 -15.884 3.032 9.217 1.00 0.00 C ATOM 1390 OG1 THR A 94 -14.813 2.957 10.165 1.00 0.00 O ATOM 1391 CG2 THR A 94 -17.216 2.888 9.937 1.00 0.00 C ATOM 0 H THR A 94 -13.936 2.894 7.595 1.00 0.00 H new ATOM 0 HA THR A 94 -15.813 0.959 8.620 1.00 0.00 H new ATOM 0 HB THR A 94 -15.861 4.001 8.719 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.925 3.658 10.841 1.00 0.00 H new ATOM 0 HG21 THR A 94 -17.311 3.673 10.688 1.00 0.00 H new ATOM 0 HG22 THR A 94 -18.030 2.974 9.217 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.263 1.913 10.423 1.00 0.00 H new ATOM 1399 N ALA A 95 -17.819 1.231 7.163 1.00 0.00 N ATOM 1400 CA ALA A 95 -18.929 1.278 6.221 1.00 0.00 C ATOM 1401 C ALA A 95 -19.767 2.536 6.423 1.00 0.00 C ATOM 1402 O ALA A 95 -20.492 2.659 7.411 1.00 0.00 O ATOM 1403 CB ALA A 95 -19.796 0.036 6.362 1.00 0.00 C ATOM 0 H ALA A 95 -17.888 0.489 7.859 1.00 0.00 H new ATOM 0 HA ALA A 95 -18.516 1.306 5.213 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -20.621 0.086 5.652 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.196 -0.851 6.160 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -20.193 -0.018 7.376 1.00 0.00 H new ATOM 1409 N LEU A 96 -19.664 3.468 5.482 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.413 4.718 5.557 1.00 0.00 C ATOM 1411 C LEU A 96 -21.837 4.471 6.042 1.00 0.00 C ATOM 1412 O LEU A 96 -22.462 3.460 5.721 1.00 0.00 O ATOM 1413 CB LEU A 96 -20.439 5.402 4.189 1.00 0.00 C ATOM 1414 CG LEU A 96 -21.614 5.040 3.280 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -22.899 5.676 3.789 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -21.334 5.472 1.848 1.00 0.00 C ATOM 0 H LEU A 96 -19.069 3.382 4.658 1.00 0.00 H new ATOM 0 HA LEU A 96 -19.913 5.370 6.273 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -20.445 6.481 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -19.513 5.160 3.667 1.00 0.00 H new ATOM 0 HG LEU A 96 -21.738 3.957 3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -23.724 5.407 3.129 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -23.108 5.317 4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -22.786 6.760 3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -22.181 5.206 1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -21.182 6.551 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -20.438 4.969 1.485 1.00 0.00 H new ATOM 1428 N PRO A 97 -22.365 5.416 6.834 1.00 0.00 N ATOM 1429 CA PRO A 97 -23.723 5.325 7.378 1.00 0.00 C ATOM 1430 C PRO A 97 -24.791 5.490 6.303 1.00 0.00 C ATOM 1431 O PRO A 97 -25.194 6.608 5.981 1.00 0.00 O ATOM 1432 CB PRO A 97 -23.784 6.485 8.375 1.00 0.00 C ATOM 1433 CG PRO A 97 -22.776 7.464 7.880 1.00 0.00 C ATOM 1434 CD PRO A 97 -21.677 6.647 7.257 1.00 0.00 C ATOM 0 HA PRO A 97 -23.918 4.350 7.825 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -24.780 6.926 8.409 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -23.549 6.151 9.386 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -23.217 8.144 7.152 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -22.393 8.076 8.696 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -21.222 7.164 6.412 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.879 6.437 7.969 1.00 0.00 H new ATOM 1442 N SER A 98 -25.246 4.371 5.750 1.00 0.00 N ATOM 1443 CA SER A 98 -26.266 4.392 4.707 1.00 0.00 C ATOM 1444 C SER A 98 -27.291 5.491 4.973 1.00 0.00 C ATOM 1445 O SER A 98 -27.960 5.494 6.005 1.00 0.00 O ATOM 1446 CB SER A 98 -26.967 3.035 4.622 1.00 0.00 C ATOM 1447 OG SER A 98 -26.032 1.991 4.412 1.00 0.00 O ATOM 0 H SER A 98 -24.925 3.438 6.006 1.00 0.00 H new ATOM 0 HA SER A 98 -25.775 4.599 3.756 1.00 0.00 H new ATOM 0 HB2 SER A 98 -27.522 2.851 5.542 1.00 0.00 H new ATOM 0 HB3 SER A 98 -27.692 3.047 3.809 1.00 0.00 H new ATOM 0 HG SER A 98 -26.504 1.134 4.363 1.00 0.00 H new ATOM 1453 N GLY A 99 -27.407 6.423 4.032 1.00 0.00 N ATOM 1454 CA GLY A 99 -28.352 7.514 4.181 1.00 0.00 C ATOM 1455 C GLY A 99 -28.704 8.162 2.857 1.00 0.00 C ATOM 1456 O GLY A 99 -28.558 7.564 1.791 1.00 0.00 O ATOM 0 H GLY A 99 -26.863 6.442 3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -29.261 7.141 4.652 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -27.932 8.266 4.849 1.00 0.00 H new ATOM 1460 N PRO A 100 -29.182 9.414 2.915 1.00 0.00 N ATOM 1461 CA PRO A 100 -29.568 10.170 1.719 1.00 0.00 C ATOM 1462 C PRO A 100 -28.364 10.564 0.869 1.00 0.00 C ATOM 1463 O PRO A 100 -28.506 11.247 -0.145 1.00 0.00 O ATOM 1464 CB PRO A 100 -30.249 11.415 2.292 1.00 0.00 C ATOM 1465 CG PRO A 100 -29.660 11.579 3.650 1.00 0.00 C ATOM 1466 CD PRO A 100 -29.382 10.188 4.151 1.00 0.00 C ATOM 0 HA PRO A 100 -30.205 9.586 1.055 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -30.061 12.290 1.671 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -31.330 11.287 2.342 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -28.745 12.170 3.610 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -30.348 12.103 4.313 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -28.499 10.160 4.790 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -30.213 9.799 4.739 1.00 0.00 H new ATOM 1474 N SER A 101 -27.181 10.128 1.289 1.00 0.00 N ATOM 1475 CA SER A 101 -25.952 10.438 0.568 1.00 0.00 C ATOM 1476 C SER A 101 -25.880 9.658 -0.742 1.00 0.00 C ATOM 1477 O SER A 101 -25.314 8.566 -0.796 1.00 0.00 O ATOM 1478 CB SER A 101 -24.733 10.117 1.434 1.00 0.00 C ATOM 1479 OG SER A 101 -23.542 10.599 0.836 1.00 0.00 O ATOM 0 H SER A 101 -27.047 9.559 2.125 1.00 0.00 H new ATOM 0 HA SER A 101 -25.954 11.503 0.337 1.00 0.00 H new ATOM 0 HB2 SER A 101 -24.856 10.565 2.420 1.00 0.00 H new ATOM 0 HB3 SER A 101 -24.660 9.039 1.580 1.00 0.00 H new ATOM 0 HG SER A 101 -22.777 10.383 1.409 1.00 0.00 H new ATOM 1485 N SER A 102 -26.456 10.228 -1.795 1.00 0.00 N ATOM 1486 CA SER A 102 -26.461 9.586 -3.104 1.00 0.00 C ATOM 1487 C SER A 102 -25.057 9.129 -3.491 1.00 0.00 C ATOM 1488 O SER A 102 -24.857 7.993 -3.917 1.00 0.00 O ATOM 1489 CB SER A 102 -27.008 10.544 -4.164 1.00 0.00 C ATOM 1490 OG SER A 102 -27.549 9.833 -5.264 1.00 0.00 O ATOM 0 H SER A 102 -26.925 11.133 -1.767 1.00 0.00 H new ATOM 0 HA SER A 102 -27.107 8.710 -3.049 1.00 0.00 H new ATOM 0 HB2 SER A 102 -27.777 11.178 -3.723 1.00 0.00 H new ATOM 0 HB3 SER A 102 -26.211 11.203 -4.509 1.00 0.00 H new ATOM 0 HG SER A 102 -27.893 10.468 -5.926 1.00 0.00 H new ATOM 1496 N GLY A 103 -24.087 10.026 -3.338 1.00 0.00 N ATOM 1497 CA GLY A 103 -22.714 9.698 -3.675 1.00 0.00 C ATOM 1498 C GLY A 103 -21.962 10.879 -4.256 1.00 0.00 C ATOM 1499 O GLY A 103 -20.824 11.149 -3.871 1.00 0.00 O ATOM 0 H GLY A 103 -24.228 10.973 -2.987 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -22.198 9.346 -2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -22.705 8.877 -4.392 1.00 0.00 H new TER 1503 GLY A 103