USER MOD reduce.3.24.130724 H: found=0, std=0, add=750, rem=0, adj=30 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 Set 1.1: A 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 86 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 43 TYR OH : rot 18:sc= 0.148 USER MOD Set 2.2: A 78 TYR OH : rot -126:sc= 1.66 USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0775 (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= -0.0415 K(o=-0.042,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 36:sc= -0.725 USER MOD Single : A 33 SER OG : rot -35:sc= -0.211 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.222) USER MOD Single : A 42 CYS SG : rot 33:sc= 0.142 USER MOD Single : A 45 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.3) USER MOD Single : A 46 ASN : amide:sc= -0.963 K(o=-0.96,f=-6.6!) USER MOD Single : A 53 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0181) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 12:sc= 0.463 USER MOD Single : A 58 GLN : amide:sc= -2.98! C(o=-3!,f=-9.8!) USER MOD Single : A 62 MET CE :methyl -165:sc= 0 (180deg=-0.144) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 75 SER OG : rot 40:sc= 0.509 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 CYS SG : rot 91:sc= 0.381 USER MOD Single : A 85 GLN : amide:sc= -3.39! C(o=-3.4!,f=-4.5!) USER MOD Single : A 87 THR OG1 : rot 130:sc= -0.185 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 86:sc=0.000785 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 29.672 1.564 13.313 1.00 0.00 N ATOM 2 CA GLY A 1 30.751 0.617 13.524 1.00 0.00 C ATOM 3 C GLY A 1 31.902 0.824 12.560 1.00 0.00 C ATOM 4 O GLY A 1 31.743 1.465 11.521 1.00 0.00 O ATOM 0 H1 GLY A 1 29.647 2.242 14.101 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.828 2.075 12.421 1.00 0.00 H new ATOM 0 H3 GLY A 1 28.767 1.054 13.266 1.00 0.00 H new ATOM 0 HA2 GLY A 1 31.117 0.710 14.547 1.00 0.00 H new ATOM 0 HA3 GLY A 1 30.367 -0.397 13.414 1.00 0.00 H new ATOM 8 N SER A 2 33.066 0.282 12.905 1.00 0.00 N ATOM 9 CA SER A 2 34.250 0.416 12.064 1.00 0.00 C ATOM 10 C SER A 2 34.109 -0.413 10.791 1.00 0.00 C ATOM 11 O SER A 2 34.296 0.093 9.684 1.00 0.00 O ATOM 12 CB SER A 2 35.499 -0.019 12.833 1.00 0.00 C ATOM 13 OG SER A 2 36.679 0.391 12.164 1.00 0.00 O ATOM 0 H SER A 2 33.214 -0.254 13.760 1.00 0.00 H new ATOM 0 HA SER A 2 34.350 1.465 11.785 1.00 0.00 H new ATOM 0 HB2 SER A 2 35.479 0.407 13.836 1.00 0.00 H new ATOM 0 HB3 SER A 2 35.500 -1.103 12.947 1.00 0.00 H new ATOM 0 HG SER A 2 37.463 0.102 12.677 1.00 0.00 H new ATOM 19 N SER A 3 33.777 -1.689 10.957 1.00 0.00 N ATOM 20 CA SER A 3 33.615 -2.590 9.822 1.00 0.00 C ATOM 21 C SER A 3 32.310 -3.373 9.932 1.00 0.00 C ATOM 22 O SER A 3 31.832 -3.654 11.031 1.00 0.00 O ATOM 23 CB SER A 3 34.797 -3.558 9.737 1.00 0.00 C ATOM 24 OG SER A 3 34.818 -4.435 10.850 1.00 0.00 O ATOM 0 H SER A 3 33.615 -2.122 11.866 1.00 0.00 H new ATOM 0 HA SER A 3 33.583 -1.987 8.914 1.00 0.00 H new ATOM 0 HB2 SER A 3 34.732 -4.136 8.815 1.00 0.00 H new ATOM 0 HB3 SER A 3 35.730 -2.995 9.695 1.00 0.00 H new ATOM 0 HG SER A 3 35.581 -5.045 10.772 1.00 0.00 H new ATOM 30 N GLY A 4 31.737 -3.722 8.785 1.00 0.00 N ATOM 31 CA GLY A 4 30.492 -4.469 8.773 1.00 0.00 C ATOM 32 C GLY A 4 30.133 -4.976 7.391 1.00 0.00 C ATOM 33 O GLY A 4 30.439 -4.332 6.387 1.00 0.00 O ATOM 0 H GLY A 4 32.112 -3.501 7.863 1.00 0.00 H new ATOM 0 HA2 GLY A 4 30.572 -5.314 9.457 1.00 0.00 H new ATOM 0 HA3 GLY A 4 29.687 -3.834 9.144 1.00 0.00 H new ATOM 37 N SER A 5 29.483 -6.134 7.337 1.00 0.00 N ATOM 38 CA SER A 5 29.086 -6.730 6.067 1.00 0.00 C ATOM 39 C SER A 5 27.731 -6.192 5.614 1.00 0.00 C ATOM 40 O SER A 5 26.964 -5.657 6.415 1.00 0.00 O ATOM 41 CB SER A 5 29.027 -8.254 6.190 1.00 0.00 C ATOM 42 OG SER A 5 30.295 -8.834 5.940 1.00 0.00 O ATOM 0 H SER A 5 29.220 -6.678 8.159 1.00 0.00 H new ATOM 0 HA SER A 5 29.833 -6.462 5.319 1.00 0.00 H new ATOM 0 HB2 SER A 5 28.688 -8.529 7.189 1.00 0.00 H new ATOM 0 HB3 SER A 5 28.296 -8.651 5.485 1.00 0.00 H new ATOM 0 HG SER A 5 30.232 -9.808 6.026 1.00 0.00 H new ATOM 48 N SER A 6 27.445 -6.340 4.325 1.00 0.00 N ATOM 49 CA SER A 6 26.185 -5.866 3.763 1.00 0.00 C ATOM 50 C SER A 6 25.305 -7.038 3.339 1.00 0.00 C ATOM 51 O SER A 6 25.791 -8.147 3.119 1.00 0.00 O ATOM 52 CB SER A 6 26.448 -4.952 2.565 1.00 0.00 C ATOM 53 OG SER A 6 26.875 -3.668 2.988 1.00 0.00 O ATOM 0 H SER A 6 28.068 -6.784 3.650 1.00 0.00 H new ATOM 0 HA SER A 6 25.662 -5.301 4.534 1.00 0.00 H new ATOM 0 HB2 SER A 6 27.207 -5.398 1.923 1.00 0.00 H new ATOM 0 HB3 SER A 6 25.541 -4.859 1.968 1.00 0.00 H new ATOM 0 HG SER A 6 27.038 -3.103 2.204 1.00 0.00 H new ATOM 59 N GLY A 7 24.005 -6.783 3.226 1.00 0.00 N ATOM 60 CA GLY A 7 23.076 -7.826 2.830 1.00 0.00 C ATOM 61 C GLY A 7 21.956 -7.301 1.952 1.00 0.00 C ATOM 62 O GLY A 7 22.075 -6.253 1.318 1.00 0.00 O ATOM 0 H GLY A 7 23.579 -5.873 3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.617 -8.607 2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.650 -8.286 3.721 1.00 0.00 H new ATOM 66 N PRO A 8 20.839 -8.042 1.907 1.00 0.00 N ATOM 67 CA PRO A 8 19.672 -7.666 1.103 1.00 0.00 C ATOM 68 C PRO A 8 18.955 -6.441 1.660 1.00 0.00 C ATOM 69 O PRO A 8 19.385 -5.856 2.654 1.00 0.00 O ATOM 70 CB PRO A 8 18.770 -8.899 1.189 1.00 0.00 C ATOM 71 CG PRO A 8 19.157 -9.564 2.465 1.00 0.00 C ATOM 72 CD PRO A 8 20.628 -9.303 2.637 1.00 0.00 C ATOM 0 HA PRO A 8 19.949 -7.394 0.084 1.00 0.00 H new ATOM 0 HB2 PRO A 8 17.717 -8.619 1.192 1.00 0.00 H new ATOM 0 HB3 PRO A 8 18.922 -9.561 0.336 1.00 0.00 H new ATOM 0 HG2 PRO A 8 18.588 -9.161 3.303 1.00 0.00 H new ATOM 0 HG3 PRO A 8 18.952 -10.634 2.426 1.00 0.00 H new ATOM 0 HD2 PRO A 8 20.899 -9.209 3.689 1.00 0.00 H new ATOM 0 HD3 PRO A 8 21.231 -10.112 2.224 1.00 0.00 H new ATOM 80 N VAL A 9 17.859 -6.058 1.013 1.00 0.00 N ATOM 81 CA VAL A 9 17.081 -4.903 1.445 1.00 0.00 C ATOM 82 C VAL A 9 16.096 -5.284 2.545 1.00 0.00 C ATOM 83 O VAL A 9 15.079 -5.929 2.286 1.00 0.00 O ATOM 84 CB VAL A 9 16.305 -4.278 0.271 1.00 0.00 C ATOM 85 CG1 VAL A 9 15.539 -3.047 0.732 1.00 0.00 C ATOM 86 CG2 VAL A 9 17.252 -3.931 -0.868 1.00 0.00 C ATOM 0 H VAL A 9 17.490 -6.531 0.188 1.00 0.00 H new ATOM 0 HA VAL A 9 17.790 -4.171 1.833 1.00 0.00 H new ATOM 0 HB VAL A 9 15.584 -5.009 -0.096 1.00 0.00 H new ATOM 0 HG11 VAL A 9 14.997 -2.619 -0.111 1.00 0.00 H new ATOM 0 HG12 VAL A 9 14.832 -3.329 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 9 16.238 -2.309 1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.687 -3.490 -1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 9 17.998 -3.218 -0.517 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.751 -4.836 -1.215 1.00 0.00 H new ATOM 96 N ARG A 10 16.404 -4.881 3.773 1.00 0.00 N ATOM 97 CA ARG A 10 15.546 -5.180 4.913 1.00 0.00 C ATOM 98 C ARG A 10 14.317 -4.276 4.922 1.00 0.00 C ATOM 99 O ARG A 10 14.102 -3.494 3.995 1.00 0.00 O ATOM 100 CB ARG A 10 16.323 -5.015 6.221 1.00 0.00 C ATOM 101 CG ARG A 10 17.643 -5.767 6.244 1.00 0.00 C ATOM 102 CD ARG A 10 18.217 -5.844 7.650 1.00 0.00 C ATOM 103 NE ARG A 10 19.057 -4.691 7.962 1.00 0.00 N ATOM 104 CZ ARG A 10 18.578 -3.521 8.371 1.00 0.00 C ATOM 105 NH1 ARG A 10 17.272 -3.350 8.516 1.00 0.00 N ATOM 106 NH2 ARG A 10 19.408 -2.519 8.635 1.00 0.00 N ATOM 0 H ARG A 10 17.241 -4.346 4.004 1.00 0.00 H new ATOM 0 HA ARG A 10 15.214 -6.214 4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 10 16.515 -3.955 6.388 1.00 0.00 H new ATOM 0 HB3 ARG A 10 15.703 -5.361 7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 10 17.496 -6.774 5.855 1.00 0.00 H new ATOM 0 HG3 ARG A 10 18.356 -5.272 5.585 1.00 0.00 H new ATOM 0 HD2 ARG A 10 17.402 -5.905 8.371 1.00 0.00 H new ATOM 0 HD3 ARG A 10 18.803 -6.758 7.753 1.00 0.00 H new ATOM 0 HE ARG A 10 20.067 -4.789 7.860 1.00 0.00 H new ATOM 0 HH11 ARG A 10 16.632 -4.118 8.314 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.907 -2.451 8.830 1.00 0.00 H new ATOM 0 HH21 ARG A 10 20.414 -2.647 8.524 1.00 0.00 H new ATOM 0 HH22 ARG A 10 19.040 -1.621 8.949 1.00 0.00 H new ATOM 120 N PHE A 11 13.513 -4.389 5.974 1.00 0.00 N ATOM 121 CA PHE A 11 12.304 -3.583 6.102 1.00 0.00 C ATOM 122 C PHE A 11 12.305 -2.807 7.416 1.00 0.00 C ATOM 123 O PHE A 11 11.769 -3.272 8.422 1.00 0.00 O ATOM 124 CB PHE A 11 11.062 -4.472 6.022 1.00 0.00 C ATOM 125 CG PHE A 11 10.545 -4.655 4.624 1.00 0.00 C ATOM 126 CD1 PHE A 11 9.987 -3.592 3.933 1.00 0.00 C ATOM 127 CD2 PHE A 11 10.616 -5.891 4.001 1.00 0.00 C ATOM 128 CE1 PHE A 11 9.510 -3.758 2.646 1.00 0.00 C ATOM 129 CE2 PHE A 11 10.141 -6.063 2.715 1.00 0.00 C ATOM 130 CZ PHE A 11 9.588 -4.994 2.036 1.00 0.00 C ATOM 0 H PHE A 11 13.676 -5.030 6.750 1.00 0.00 H new ATOM 0 HA PHE A 11 12.284 -2.869 5.279 1.00 0.00 H new ATOM 0 HB2 PHE A 11 11.296 -5.449 6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 11 10.274 -4.038 6.638 1.00 0.00 H new ATOM 0 HD1 PHE A 11 9.924 -2.623 4.405 1.00 0.00 H new ATOM 0 HD2 PHE A 11 11.048 -6.730 4.527 1.00 0.00 H new ATOM 0 HE1 PHE A 11 9.077 -2.921 2.118 1.00 0.00 H new ATOM 0 HE2 PHE A 11 10.202 -7.032 2.241 1.00 0.00 H new ATOM 0 HZ PHE A 11 9.218 -5.125 1.030 1.00 0.00 H new ATOM 140 N GLN A 12 12.911 -1.625 7.398 1.00 0.00 N ATOM 141 CA GLN A 12 12.983 -0.785 8.589 1.00 0.00 C ATOM 142 C GLN A 12 11.589 -0.364 9.042 1.00 0.00 C ATOM 143 O GLN A 12 11.217 -0.559 10.199 1.00 0.00 O ATOM 144 CB GLN A 12 13.839 0.452 8.315 1.00 0.00 C ATOM 145 CG GLN A 12 14.231 1.211 9.573 1.00 0.00 C ATOM 146 CD GLN A 12 15.297 0.495 10.378 1.00 0.00 C ATOM 147 OE1 GLN A 12 16.145 -0.204 9.823 1.00 0.00 O ATOM 148 NE2 GLN A 12 15.261 0.666 11.694 1.00 0.00 N ATOM 0 H GLN A 12 13.359 -1.227 6.573 1.00 0.00 H new ATOM 0 HA GLN A 12 13.444 -1.367 9.387 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.743 0.148 7.787 1.00 0.00 H new ATOM 0 HB3 GLN A 12 13.292 1.122 7.652 1.00 0.00 H new ATOM 0 HG2 GLN A 12 14.593 2.201 9.297 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.348 1.357 10.195 1.00 0.00 H new ATOM 0 HE21 GLN A 12 14.540 1.254 12.112 1.00 0.00 H new ATOM 0 HE22 GLN A 12 15.954 0.209 12.287 1.00 0.00 H new ATOM 157 N GLU A 13 10.823 0.215 8.123 1.00 0.00 N ATOM 158 CA GLU A 13 9.470 0.665 8.431 1.00 0.00 C ATOM 159 C GLU A 13 8.485 0.195 7.365 1.00 0.00 C ATOM 160 O GLU A 13 8.031 0.980 6.533 1.00 0.00 O ATOM 161 CB GLU A 13 9.429 2.191 8.541 1.00 0.00 C ATOM 162 CG GLU A 13 8.317 2.707 9.438 1.00 0.00 C ATOM 163 CD GLU A 13 8.696 2.686 10.907 1.00 0.00 C ATOM 164 OE1 GLU A 13 9.862 2.999 11.224 1.00 0.00 O ATOM 165 OE2 GLU A 13 7.824 2.357 11.739 1.00 0.00 O ATOM 0 H GLU A 13 11.115 0.383 7.160 1.00 0.00 H new ATOM 0 HA GLU A 13 9.179 0.231 9.387 1.00 0.00 H new ATOM 0 HB2 GLU A 13 10.386 2.545 8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 13 9.307 2.615 7.545 1.00 0.00 H new ATOM 0 HG2 GLU A 13 8.063 3.726 9.146 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.424 2.101 9.288 1.00 0.00 H new ATOM 172 N ALA A 14 8.159 -1.093 7.396 1.00 0.00 N ATOM 173 CA ALA A 14 7.227 -1.669 6.435 1.00 0.00 C ATOM 174 C ALA A 14 5.831 -1.078 6.602 1.00 0.00 C ATOM 175 O ALA A 14 5.598 -0.247 7.481 1.00 0.00 O ATOM 176 CB ALA A 14 7.183 -3.183 6.584 1.00 0.00 C ATOM 0 H ALA A 14 8.527 -1.758 8.077 1.00 0.00 H new ATOM 0 HA ALA A 14 7.579 -1.424 5.433 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.483 -3.600 5.860 1.00 0.00 H new ATOM 0 HB2 ALA A 14 8.176 -3.595 6.407 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.858 -3.440 7.592 1.00 0.00 H new ATOM 182 N LEU A 15 4.905 -1.511 5.753 1.00 0.00 N ATOM 183 CA LEU A 15 3.531 -1.025 5.807 1.00 0.00 C ATOM 184 C LEU A 15 2.929 -1.244 7.191 1.00 0.00 C ATOM 185 O LEU A 15 3.265 -2.206 7.881 1.00 0.00 O ATOM 186 CB LEU A 15 2.678 -1.729 4.750 1.00 0.00 C ATOM 187 CG LEU A 15 3.126 -1.550 3.298 1.00 0.00 C ATOM 188 CD1 LEU A 15 2.253 -2.376 2.366 1.00 0.00 C ATOM 189 CD2 LEU A 15 3.088 -0.081 2.906 1.00 0.00 C ATOM 0 H LEU A 15 5.081 -2.197 5.019 1.00 0.00 H new ATOM 0 HA LEU A 15 3.543 0.045 5.602 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.662 -2.795 4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.653 -1.369 4.840 1.00 0.00 H new ATOM 0 HG LEU A 15 4.154 -1.902 3.208 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.586 -2.237 1.337 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.331 -3.430 2.633 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.216 -2.054 2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.410 0.028 1.870 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.071 0.298 3.012 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.756 0.486 3.555 1.00 0.00 H new ATOM 201 N LYS A 16 2.034 -0.346 7.590 1.00 0.00 N ATOM 202 CA LYS A 16 1.381 -0.442 8.890 1.00 0.00 C ATOM 203 C LYS A 16 -0.127 -0.259 8.756 1.00 0.00 C ATOM 204 O LYS A 16 -0.601 0.427 7.850 1.00 0.00 O ATOM 205 CB LYS A 16 1.950 0.607 9.849 1.00 0.00 C ATOM 206 CG LYS A 16 3.394 0.350 10.243 1.00 0.00 C ATOM 207 CD LYS A 16 3.486 -0.476 11.516 1.00 0.00 C ATOM 208 CE LYS A 16 3.623 -1.959 11.208 1.00 0.00 C ATOM 209 NZ LYS A 16 5.049 -2.375 11.104 1.00 0.00 N ATOM 0 H LYS A 16 1.744 0.457 7.031 1.00 0.00 H new ATOM 0 HA LYS A 16 1.574 -1.436 9.293 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.879 1.590 9.383 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.336 0.635 10.749 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.906 -0.170 9.433 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.908 1.301 10.387 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.341 -0.145 12.105 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.597 -0.310 12.124 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.132 -2.539 11.989 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.110 -2.185 10.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.099 -3.392 10.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.512 -1.840 10.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.533 -2.184 12.004 1.00 0.00 H new ATOM 223 N ASP A 17 -0.876 -0.874 9.665 1.00 0.00 N ATOM 224 CA ASP A 17 -2.331 -0.777 9.649 1.00 0.00 C ATOM 225 C ASP A 17 -2.777 0.650 9.344 1.00 0.00 C ATOM 226 O ASP A 17 -2.044 1.608 9.595 1.00 0.00 O ATOM 227 CB ASP A 17 -2.908 -1.228 10.992 1.00 0.00 C ATOM 228 CG ASP A 17 -4.362 -1.646 10.886 1.00 0.00 C ATOM 229 OD1 ASP A 17 -4.621 -2.779 10.429 1.00 0.00 O ATOM 230 OD2 ASP A 17 -5.240 -0.841 11.260 1.00 0.00 O ATOM 0 H ASP A 17 -0.500 -1.445 10.422 1.00 0.00 H new ATOM 0 HA ASP A 17 -2.706 -1.432 8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -2.320 -2.062 11.375 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -2.818 -0.416 11.714 1.00 0.00 H new ATOM 235 N LEU A 18 -3.981 0.785 8.800 1.00 0.00 N ATOM 236 CA LEU A 18 -4.525 2.095 8.459 1.00 0.00 C ATOM 237 C LEU A 18 -5.990 2.200 8.869 1.00 0.00 C ATOM 238 O LEU A 18 -6.709 1.202 8.899 1.00 0.00 O ATOM 239 CB LEU A 18 -4.384 2.352 6.957 1.00 0.00 C ATOM 240 CG LEU A 18 -3.087 3.028 6.511 1.00 0.00 C ATOM 241 CD1 LEU A 18 -2.982 3.032 4.994 1.00 0.00 C ATOM 242 CD2 LEU A 18 -3.010 4.446 7.056 1.00 0.00 C ATOM 0 H LEU A 18 -4.600 0.003 8.585 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.959 2.850 9.006 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.471 1.399 6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.222 2.970 6.634 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.247 2.460 6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.053 3.517 4.695 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.991 2.006 4.626 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.827 3.576 4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.080 4.912 6.729 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.856 5.025 6.685 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.038 4.419 8.145 1.00 0.00 H new ATOM 254 N GLU A 19 -6.426 3.416 9.183 1.00 0.00 N ATOM 255 CA GLU A 19 -7.806 3.651 9.590 1.00 0.00 C ATOM 256 C GLU A 19 -8.428 4.782 8.776 1.00 0.00 C ATOM 257 O GLU A 19 -7.883 5.883 8.704 1.00 0.00 O ATOM 258 CB GLU A 19 -7.871 3.986 11.081 1.00 0.00 C ATOM 259 CG GLU A 19 -9.279 4.259 11.583 1.00 0.00 C ATOM 260 CD GLU A 19 -9.719 5.690 11.338 1.00 0.00 C ATOM 261 OE1 GLU A 19 -9.081 6.609 11.892 1.00 0.00 O ATOM 262 OE2 GLU A 19 -10.701 5.889 10.593 1.00 0.00 O ATOM 0 H GLU A 19 -5.844 4.253 9.163 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.373 2.739 9.405 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.446 3.159 11.649 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -7.249 4.860 11.276 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.974 3.580 11.090 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.328 4.046 12.651 1.00 0.00 H new ATOM 269 N VAL A 20 -9.574 4.501 8.163 1.00 0.00 N ATOM 270 CA VAL A 20 -10.272 5.493 7.354 1.00 0.00 C ATOM 271 C VAL A 20 -11.755 5.159 7.233 1.00 0.00 C ATOM 272 O VAL A 20 -12.165 4.018 7.449 1.00 0.00 O ATOM 273 CB VAL A 20 -9.663 5.595 5.943 1.00 0.00 C ATOM 274 CG1 VAL A 20 -9.515 4.214 5.324 1.00 0.00 C ATOM 275 CG2 VAL A 20 -10.514 6.496 5.060 1.00 0.00 C ATOM 0 H VAL A 20 -10.038 3.594 8.212 1.00 0.00 H new ATOM 0 HA VAL A 20 -10.159 6.451 7.861 1.00 0.00 H new ATOM 0 HB VAL A 20 -8.670 6.038 6.025 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -9.083 4.306 4.327 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -8.861 3.604 5.948 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.494 3.740 5.253 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.069 6.557 4.067 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -11.520 6.084 4.982 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -10.563 7.493 5.498 1.00 0.00 H new ATOM 285 N LEU A 21 -12.555 6.161 6.886 1.00 0.00 N ATOM 286 CA LEU A 21 -13.993 5.974 6.735 1.00 0.00 C ATOM 287 C LEU A 21 -14.394 5.995 5.263 1.00 0.00 C ATOM 288 O LEU A 21 -13.996 6.887 4.515 1.00 0.00 O ATOM 289 CB LEU A 21 -14.752 7.063 7.497 1.00 0.00 C ATOM 290 CG LEU A 21 -16.195 6.733 7.879 1.00 0.00 C ATOM 291 CD1 LEU A 21 -16.246 6.065 9.244 1.00 0.00 C ATOM 292 CD2 LEU A 21 -17.051 7.992 7.866 1.00 0.00 C ATOM 0 H LEU A 21 -12.232 7.111 6.704 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.253 5.000 7.150 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -14.200 7.293 8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -14.756 7.968 6.889 1.00 0.00 H new ATOM 0 HG LEU A 21 -16.596 6.037 7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -17.281 5.837 9.499 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -15.667 5.142 9.219 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -15.827 6.736 9.993 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -18.075 7.739 8.140 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -16.651 8.711 8.581 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -17.040 8.429 6.867 1.00 0.00 H new ATOM 304 N GLU A 22 -15.185 5.008 4.856 1.00 0.00 N ATOM 305 CA GLU A 22 -15.641 4.915 3.474 1.00 0.00 C ATOM 306 C GLU A 22 -15.942 6.298 2.906 1.00 0.00 C ATOM 307 O GLU A 22 -16.717 7.062 3.481 1.00 0.00 O ATOM 308 CB GLU A 22 -16.887 4.031 3.383 1.00 0.00 C ATOM 309 CG GLU A 22 -17.780 4.360 2.198 1.00 0.00 C ATOM 310 CD GLU A 22 -17.117 4.063 0.867 1.00 0.00 C ATOM 311 OE1 GLU A 22 -16.305 3.115 0.808 1.00 0.00 O ATOM 312 OE2 GLU A 22 -17.408 4.778 -0.114 1.00 0.00 O ATOM 0 H GLU A 22 -15.523 4.262 5.463 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.842 4.466 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.578 2.988 3.316 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -17.464 4.135 4.302 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -18.704 3.788 2.275 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -18.054 5.414 2.236 1.00 0.00 H new ATOM 319 N GLY A 23 -15.322 6.614 1.773 1.00 0.00 N ATOM 320 CA GLY A 23 -15.536 7.906 1.146 1.00 0.00 C ATOM 321 C GLY A 23 -14.298 8.779 1.181 1.00 0.00 C ATOM 322 O GLY A 23 -14.385 9.981 1.429 1.00 0.00 O ATOM 0 H GLY A 23 -14.676 5.999 1.278 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -15.843 7.758 0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -16.354 8.420 1.651 1.00 0.00 H new ATOM 326 N GLY A 24 -13.140 8.173 0.935 1.00 0.00 N ATOM 327 CA GLY A 24 -11.895 8.919 0.946 1.00 0.00 C ATOM 328 C GLY A 24 -10.784 8.203 0.205 1.00 0.00 C ATOM 329 O GLY A 24 -11.027 7.540 -0.803 1.00 0.00 O ATOM 0 H GLY A 24 -13.042 7.179 0.728 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.057 9.897 0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.587 9.091 1.977 1.00 0.00 H new ATOM 333 N ALA A 25 -9.559 8.338 0.704 1.00 0.00 N ATOM 334 CA ALA A 25 -8.406 7.699 0.083 1.00 0.00 C ATOM 335 C ALA A 25 -7.459 7.133 1.135 1.00 0.00 C ATOM 336 O ALA A 25 -7.406 7.622 2.263 1.00 0.00 O ATOM 337 CB ALA A 25 -7.674 8.687 -0.813 1.00 0.00 C ATOM 0 H ALA A 25 -9.340 8.885 1.537 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.766 6.870 -0.527 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.815 8.196 -1.270 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.349 9.039 -1.593 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.333 9.534 -0.218 1.00 0.00 H new ATOM 343 N ALA A 26 -6.713 6.100 0.759 1.00 0.00 N ATOM 344 CA ALA A 26 -5.766 5.469 1.670 1.00 0.00 C ATOM 345 C ALA A 26 -4.339 5.583 1.145 1.00 0.00 C ATOM 346 O ALA A 26 -4.064 5.267 -0.013 1.00 0.00 O ATOM 347 CB ALA A 26 -6.135 4.008 1.886 1.00 0.00 C ATOM 0 H ALA A 26 -6.746 5.682 -0.171 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.817 5.991 2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.420 3.549 2.568 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.136 3.945 2.313 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.114 3.483 0.931 1.00 0.00 H new ATOM 353 N THR A 27 -3.432 6.039 2.004 1.00 0.00 N ATOM 354 CA THR A 27 -2.034 6.198 1.627 1.00 0.00 C ATOM 355 C THR A 27 -1.122 5.394 2.546 1.00 0.00 C ATOM 356 O THR A 27 -1.191 5.518 3.770 1.00 0.00 O ATOM 357 CB THR A 27 -1.606 7.677 1.664 1.00 0.00 C ATOM 358 OG1 THR A 27 -2.525 8.472 0.906 1.00 0.00 O ATOM 359 CG2 THR A 27 -0.201 7.848 1.106 1.00 0.00 C ATOM 0 H THR A 27 -3.642 6.305 2.966 1.00 0.00 H new ATOM 0 HA THR A 27 -1.938 5.825 0.607 1.00 0.00 H new ATOM 0 HB THR A 27 -1.610 8.008 2.703 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.247 9.411 0.936 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.079 8.901 1.142 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.501 7.265 1.702 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.175 7.501 0.073 1.00 0.00 H new ATOM 367 N LEU A 28 -0.266 4.570 1.951 1.00 0.00 N ATOM 368 CA LEU A 28 0.661 3.745 2.717 1.00 0.00 C ATOM 369 C LEU A 28 2.093 4.246 2.559 1.00 0.00 C ATOM 370 O LEU A 28 2.551 4.506 1.446 1.00 0.00 O ATOM 371 CB LEU A 28 0.567 2.286 2.270 1.00 0.00 C ATOM 372 CG LEU A 28 -0.813 1.637 2.384 1.00 0.00 C ATOM 373 CD1 LEU A 28 -1.688 2.031 1.205 1.00 0.00 C ATOM 374 CD2 LEU A 28 -0.684 0.123 2.472 1.00 0.00 C ATOM 0 H LEU A 28 -0.195 4.456 0.940 1.00 0.00 H new ATOM 0 HA LEU A 28 0.385 3.814 3.769 1.00 0.00 H new ATOM 0 HB2 LEU A 28 0.891 2.223 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.272 1.700 2.860 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.287 1.996 3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -2.666 1.559 1.304 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.808 3.114 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.219 1.702 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.675 -0.323 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.189 -0.253 1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.095 -0.142 3.350 1.00 0.00 H new ATOM 386 N ARG A 29 2.796 4.377 3.679 1.00 0.00 N ATOM 387 CA ARG A 29 4.177 4.845 3.664 1.00 0.00 C ATOM 388 C ARG A 29 5.099 3.842 4.352 1.00 0.00 C ATOM 389 O ARG A 29 4.811 3.372 5.453 1.00 0.00 O ATOM 390 CB ARG A 29 4.283 6.207 4.354 1.00 0.00 C ATOM 391 CG ARG A 29 4.087 7.383 3.412 1.00 0.00 C ATOM 392 CD ARG A 29 4.371 8.706 4.106 1.00 0.00 C ATOM 393 NE ARG A 29 3.249 9.143 4.932 1.00 0.00 N ATOM 394 CZ ARG A 29 3.055 8.739 6.182 1.00 0.00 C ATOM 395 NH1 ARG A 29 3.905 7.894 6.748 1.00 0.00 N ATOM 396 NH2 ARG A 29 2.010 9.182 6.869 1.00 0.00 N ATOM 0 H ARG A 29 2.432 4.166 4.608 1.00 0.00 H new ATOM 0 HA ARG A 29 4.489 4.946 2.624 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.539 6.261 5.149 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.262 6.290 4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.746 7.274 2.550 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.065 7.381 3.034 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.261 8.606 4.727 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.589 9.468 3.358 1.00 0.00 H new ATOM 0 HE ARG A 29 2.577 9.795 4.526 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.710 7.553 6.223 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.754 7.585 7.708 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.355 9.833 6.437 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.862 8.871 7.829 1.00 0.00 H new ATOM 410 N CYS A 30 6.207 3.518 3.694 1.00 0.00 N ATOM 411 CA CYS A 30 7.170 2.569 4.241 1.00 0.00 C ATOM 412 C CYS A 30 8.580 2.883 3.751 1.00 0.00 C ATOM 413 O CYS A 30 8.803 3.087 2.557 1.00 0.00 O ATOM 414 CB CYS A 30 6.788 1.140 3.851 1.00 0.00 C ATOM 415 SG CYS A 30 6.769 0.842 2.068 1.00 0.00 S ATOM 0 H CYS A 30 6.460 3.898 2.782 1.00 0.00 H new ATOM 0 HA CYS A 30 7.154 2.658 5.327 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.489 0.448 4.317 1.00 0.00 H new ATOM 0 HB3 CYS A 30 5.802 0.915 4.257 1.00 0.00 H new ATOM 0 HG CYS A 30 7.722 1.523 1.504 1.00 0.00 H new ATOM 421 N VAL A 31 9.529 2.922 4.680 1.00 0.00 N ATOM 422 CA VAL A 31 10.918 3.211 4.344 1.00 0.00 C ATOM 423 C VAL A 31 11.762 1.942 4.351 1.00 0.00 C ATOM 424 O VAL A 31 11.647 1.112 5.254 1.00 0.00 O ATOM 425 CB VAL A 31 11.533 4.228 5.324 1.00 0.00 C ATOM 426 CG1 VAL A 31 12.955 4.576 4.910 1.00 0.00 C ATOM 427 CG2 VAL A 31 10.670 5.479 5.403 1.00 0.00 C ATOM 0 H VAL A 31 9.361 2.757 5.672 1.00 0.00 H new ATOM 0 HA VAL A 31 10.918 3.638 3.341 1.00 0.00 H new ATOM 0 HB VAL A 31 11.570 3.776 6.315 1.00 0.00 H new ATOM 0 HG11 VAL A 31 13.373 5.296 5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 31 13.565 3.673 4.909 1.00 0.00 H new ATOM 0 HG13 VAL A 31 12.947 5.009 3.910 1.00 0.00 H new ATOM 0 HG21 VAL A 31 11.119 6.187 6.100 1.00 0.00 H new ATOM 0 HG22 VAL A 31 10.600 5.936 4.416 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.672 5.211 5.750 1.00 0.00 H new ATOM 437 N LEU A 32 12.610 1.796 3.339 1.00 0.00 N ATOM 438 CA LEU A 32 13.475 0.626 3.228 1.00 0.00 C ATOM 439 C LEU A 32 14.854 0.911 3.815 1.00 0.00 C ATOM 440 O LEU A 32 15.352 2.034 3.737 1.00 0.00 O ATOM 441 CB LEU A 32 13.608 0.203 1.764 1.00 0.00 C ATOM 442 CG LEU A 32 12.299 0.015 0.998 1.00 0.00 C ATOM 443 CD1 LEU A 32 12.564 -0.079 -0.497 1.00 0.00 C ATOM 444 CD2 LEU A 32 11.567 -1.225 1.490 1.00 0.00 C ATOM 0 H LEU A 32 12.717 2.473 2.584 1.00 0.00 H new ATOM 0 HA LEU A 32 13.021 -0.187 3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 32 14.206 0.951 1.243 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.165 -0.733 1.726 1.00 0.00 H new ATOM 0 HG LEU A 32 11.666 0.883 1.180 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.620 -0.213 -1.026 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.045 0.837 -0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.216 -0.929 -0.698 1.00 0.00 H new ATOM 0 HD21 LEU A 32 10.637 -1.343 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 32 12.195 -2.103 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 32 11.344 -1.118 2.552 1.00 0.00 H new ATOM 456 N SER A 33 15.465 -0.113 4.400 1.00 0.00 N ATOM 457 CA SER A 33 16.786 0.027 5.001 1.00 0.00 C ATOM 458 C SER A 33 17.727 0.791 4.074 1.00 0.00 C ATOM 459 O SER A 33 18.619 1.507 4.529 1.00 0.00 O ATOM 460 CB SER A 33 17.374 -1.349 5.321 1.00 0.00 C ATOM 461 OG SER A 33 18.358 -1.260 6.337 1.00 0.00 O ATOM 0 H SER A 33 15.067 -1.049 4.471 1.00 0.00 H new ATOM 0 HA SER A 33 16.678 0.592 5.927 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.578 -2.023 5.639 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.814 -1.778 4.421 1.00 0.00 H new ATOM 0 HG SER A 33 18.852 -0.419 6.241 1.00 0.00 H new ATOM 467 N SER A 34 17.521 0.632 2.770 1.00 0.00 N ATOM 468 CA SER A 34 18.352 1.303 1.778 1.00 0.00 C ATOM 469 C SER A 34 17.509 1.786 0.601 1.00 0.00 C ATOM 470 O SER A 34 16.313 1.506 0.522 1.00 0.00 O ATOM 471 CB SER A 34 19.450 0.361 1.280 1.00 0.00 C ATOM 472 OG SER A 34 20.458 0.190 2.261 1.00 0.00 O ATOM 0 H SER A 34 16.786 0.044 2.377 1.00 0.00 H new ATOM 0 HA SER A 34 18.814 2.169 2.252 1.00 0.00 H new ATOM 0 HB2 SER A 34 19.016 -0.607 1.027 1.00 0.00 H new ATOM 0 HB3 SER A 34 19.891 0.761 0.367 1.00 0.00 H new ATOM 0 HG SER A 34 21.147 -0.417 1.920 1.00 0.00 H new ATOM 478 N VAL A 35 18.143 2.514 -0.313 1.00 0.00 N ATOM 479 CA VAL A 35 17.454 3.036 -1.487 1.00 0.00 C ATOM 480 C VAL A 35 17.415 2.002 -2.607 1.00 0.00 C ATOM 481 O VAL A 35 18.363 1.876 -3.381 1.00 0.00 O ATOM 482 CB VAL A 35 18.128 4.318 -2.010 1.00 0.00 C ATOM 483 CG1 VAL A 35 17.432 4.813 -3.269 1.00 0.00 C ATOM 484 CG2 VAL A 35 18.132 5.395 -0.935 1.00 0.00 C ATOM 0 H VAL A 35 19.133 2.756 -0.263 1.00 0.00 H new ATOM 0 HA VAL A 35 16.436 3.270 -1.177 1.00 0.00 H new ATOM 0 HB VAL A 35 19.162 4.086 -2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 35 17.923 5.720 -3.623 1.00 0.00 H new ATOM 0 HG12 VAL A 35 17.487 4.045 -4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 35 16.387 5.029 -3.046 1.00 0.00 H new ATOM 0 HG21 VAL A 35 18.612 6.294 -1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 35 17.106 5.626 -0.648 1.00 0.00 H new ATOM 0 HG23 VAL A 35 18.681 5.037 -0.064 1.00 0.00 H new ATOM 494 N ALA A 36 16.312 1.265 -2.686 1.00 0.00 N ATOM 495 CA ALA A 36 16.148 0.244 -3.713 1.00 0.00 C ATOM 496 C ALA A 36 14.781 0.351 -4.381 1.00 0.00 C ATOM 497 O ALA A 36 13.754 0.418 -3.706 1.00 0.00 O ATOM 498 CB ALA A 36 16.338 -1.142 -3.114 1.00 0.00 C ATOM 0 H ALA A 36 15.519 1.356 -2.051 1.00 0.00 H new ATOM 0 HA ALA A 36 16.909 0.406 -4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 36 16.213 -1.895 -3.892 1.00 0.00 H new ATOM 0 HB2 ALA A 36 17.339 -1.221 -2.690 1.00 0.00 H new ATOM 0 HB3 ALA A 36 15.598 -1.304 -2.330 1.00 0.00 H new ATOM 504 N ALA A 37 14.777 0.368 -5.710 1.00 0.00 N ATOM 505 CA ALA A 37 13.536 0.466 -6.468 1.00 0.00 C ATOM 506 C ALA A 37 13.797 0.341 -7.965 1.00 0.00 C ATOM 507 O ALA A 37 14.934 0.416 -8.430 1.00 0.00 O ATOM 508 CB ALA A 37 12.832 1.779 -6.161 1.00 0.00 C ATOM 0 H ALA A 37 15.619 0.315 -6.283 1.00 0.00 H new ATOM 0 HA ALA A 37 12.889 -0.359 -6.168 1.00 0.00 H new ATOM 0 HB1 ALA A 37 11.907 1.838 -6.734 1.00 0.00 H new ATOM 0 HB2 ALA A 37 12.603 1.829 -5.096 1.00 0.00 H new ATOM 0 HB3 ALA A 37 13.481 2.612 -6.432 1.00 0.00 H new ATOM 514 N PRO A 38 12.720 0.145 -8.740 1.00 0.00 N ATOM 515 CA PRO A 38 11.361 0.053 -8.198 1.00 0.00 C ATOM 516 C PRO A 38 11.141 -1.227 -7.399 1.00 0.00 C ATOM 517 O PRO A 38 12.047 -2.048 -7.261 1.00 0.00 O ATOM 518 CB PRO A 38 10.478 0.061 -9.449 1.00 0.00 C ATOM 519 CG PRO A 38 11.353 -0.468 -10.532 1.00 0.00 C ATOM 520 CD PRO A 38 12.745 -0.003 -10.205 1.00 0.00 C ATOM 0 HA PRO A 38 11.145 0.863 -7.502 1.00 0.00 H new ATOM 0 HB2 PRO A 38 9.594 -0.562 -9.314 1.00 0.00 H new ATOM 0 HB3 PRO A 38 10.127 1.067 -9.679 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.305 -1.556 -10.575 1.00 0.00 H new ATOM 0 HG3 PRO A 38 11.036 -0.096 -11.506 1.00 0.00 H new ATOM 0 HD2 PRO A 38 13.495 -0.727 -10.523 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.981 0.939 -10.700 1.00 0.00 H new ATOM 528 N VAL A 39 9.930 -1.390 -6.873 1.00 0.00 N ATOM 529 CA VAL A 39 9.591 -2.571 -6.089 1.00 0.00 C ATOM 530 C VAL A 39 8.390 -3.298 -6.683 1.00 0.00 C ATOM 531 O VAL A 39 7.780 -2.831 -7.645 1.00 0.00 O ATOM 532 CB VAL A 39 9.282 -2.203 -4.625 1.00 0.00 C ATOM 533 CG1 VAL A 39 10.493 -1.555 -3.971 1.00 0.00 C ATOM 534 CG2 VAL A 39 8.071 -1.286 -4.551 1.00 0.00 C ATOM 0 H VAL A 39 9.169 -0.719 -6.976 1.00 0.00 H new ATOM 0 HA VAL A 39 10.460 -3.229 -6.115 1.00 0.00 H new ATOM 0 HB VAL A 39 9.050 -3.118 -4.079 1.00 0.00 H new ATOM 0 HG11 VAL A 39 10.256 -1.302 -2.938 1.00 0.00 H new ATOM 0 HG12 VAL A 39 11.333 -2.250 -3.991 1.00 0.00 H new ATOM 0 HG13 VAL A 39 10.759 -0.649 -4.515 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.867 -1.036 -3.510 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.272 -0.373 -5.111 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.205 -1.791 -4.979 1.00 0.00 H new ATOM 544 N LYS A 40 8.053 -4.445 -6.102 1.00 0.00 N ATOM 545 CA LYS A 40 6.923 -5.238 -6.571 1.00 0.00 C ATOM 546 C LYS A 40 5.786 -5.220 -5.555 1.00 0.00 C ATOM 547 O LYS A 40 5.967 -5.607 -4.400 1.00 0.00 O ATOM 548 CB LYS A 40 7.361 -6.680 -6.837 1.00 0.00 C ATOM 549 CG LYS A 40 6.246 -7.566 -7.366 1.00 0.00 C ATOM 550 CD LYS A 40 6.055 -7.388 -8.863 1.00 0.00 C ATOM 551 CE LYS A 40 5.540 -8.662 -9.515 1.00 0.00 C ATOM 552 NZ LYS A 40 4.389 -9.241 -8.768 1.00 0.00 N ATOM 0 H LYS A 40 8.547 -4.846 -5.305 1.00 0.00 H new ATOM 0 HA LYS A 40 6.563 -4.797 -7.500 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.181 -6.675 -7.555 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.748 -7.110 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.475 -8.609 -7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.316 -7.330 -6.849 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.353 -6.575 -9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 40 7.002 -7.101 -9.320 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.237 -8.449 -10.540 1.00 0.00 H new ATOM 0 HE3 LYS A 40 6.345 -9.395 -9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.898 -9.934 -9.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.735 -9.712 -7.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.729 -8.482 -8.505 1.00 0.00 H new ATOM 566 N TRP A 41 4.615 -4.769 -5.991 1.00 0.00 N ATOM 567 CA TRP A 41 3.449 -4.702 -5.119 1.00 0.00 C ATOM 568 C TRP A 41 2.520 -5.887 -5.360 1.00 0.00 C ATOM 569 O TRP A 41 2.580 -6.531 -6.409 1.00 0.00 O ATOM 570 CB TRP A 41 2.693 -3.392 -5.343 1.00 0.00 C ATOM 571 CG TRP A 41 3.289 -2.229 -4.608 1.00 0.00 C ATOM 572 CD1 TRP A 41 4.298 -1.417 -5.041 1.00 0.00 C ATOM 573 CD2 TRP A 41 2.913 -1.751 -3.312 1.00 0.00 C ATOM 574 NE1 TRP A 41 4.573 -0.462 -4.091 1.00 0.00 N ATOM 575 CE2 TRP A 41 3.736 -0.645 -3.022 1.00 0.00 C ATOM 576 CE3 TRP A 41 1.961 -2.147 -2.370 1.00 0.00 C ATOM 577 CZ2 TRP A 41 3.635 0.065 -1.828 1.00 0.00 C ATOM 578 CZ3 TRP A 41 1.861 -1.442 -1.186 1.00 0.00 C ATOM 579 CH2 TRP A 41 2.693 -0.345 -0.924 1.00 0.00 C ATOM 0 H TRP A 41 4.448 -4.444 -6.943 1.00 0.00 H new ATOM 0 HA TRP A 41 3.796 -4.741 -4.087 1.00 0.00 H new ATOM 0 HB2 TRP A 41 2.676 -3.168 -6.410 1.00 0.00 H new ATOM 0 HB3 TRP A 41 1.657 -3.520 -5.028 1.00 0.00 H new ATOM 0 HD1 TRP A 41 4.805 -1.511 -5.990 1.00 0.00 H new ATOM 0 HE1 TRP A 41 5.285 0.265 -4.169 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.314 -2.990 -2.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 4.277 0.909 -1.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 1.129 -1.741 -0.450 1.00 0.00 H new ATOM 0 HH2 TRP A 41 2.589 0.187 0.010 1.00 0.00 H new ATOM 590 N CYS A 42 1.662 -6.169 -4.386 1.00 0.00 N ATOM 591 CA CYS A 42 0.721 -7.278 -4.493 1.00 0.00 C ATOM 592 C CYS A 42 -0.532 -7.010 -3.665 1.00 0.00 C ATOM 593 O CYS A 42 -0.458 -6.836 -2.448 1.00 0.00 O ATOM 594 CB CYS A 42 1.380 -8.580 -4.037 1.00 0.00 C ATOM 595 SG CYS A 42 0.350 -10.049 -4.266 1.00 0.00 S ATOM 0 H CYS A 42 1.599 -5.645 -3.513 1.00 0.00 H new ATOM 0 HA CYS A 42 0.429 -7.375 -5.539 1.00 0.00 H new ATOM 0 HB2 CYS A 42 2.312 -8.714 -4.585 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.640 -8.493 -2.982 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.390 -9.899 -5.324 1.00 0.00 H new ATOM 601 N TYR A 43 -1.680 -6.977 -4.332 1.00 0.00 N ATOM 602 CA TYR A 43 -2.948 -6.726 -3.658 1.00 0.00 C ATOM 603 C TYR A 43 -4.084 -7.488 -4.333 1.00 0.00 C ATOM 604 O TYR A 43 -4.473 -7.178 -5.458 1.00 0.00 O ATOM 605 CB TYR A 43 -3.258 -5.228 -3.650 1.00 0.00 C ATOM 606 CG TYR A 43 -4.721 -4.913 -3.434 1.00 0.00 C ATOM 607 CD1 TYR A 43 -5.416 -5.451 -2.358 1.00 0.00 C ATOM 608 CD2 TYR A 43 -5.408 -4.077 -4.306 1.00 0.00 C ATOM 609 CE1 TYR A 43 -6.753 -5.167 -2.158 1.00 0.00 C ATOM 610 CE2 TYR A 43 -6.744 -3.786 -4.113 1.00 0.00 C ATOM 611 CZ TYR A 43 -7.413 -4.334 -3.038 1.00 0.00 C ATOM 612 OH TYR A 43 -8.744 -4.047 -2.841 1.00 0.00 O ATOM 0 H TYR A 43 -1.759 -7.121 -5.339 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.859 -7.077 -2.630 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -2.672 -4.749 -2.866 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -2.938 -4.794 -4.597 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -4.902 -6.102 -1.666 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.888 -3.647 -5.149 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -7.279 -5.595 -1.317 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -7.262 -3.133 -4.800 1.00 0.00 H new ATOM 0 HH TYR A 43 -8.993 -4.265 -1.918 1.00 0.00 H new ATOM 622 N GLY A 44 -4.614 -8.489 -3.635 1.00 0.00 N ATOM 623 CA GLY A 44 -5.700 -9.281 -4.182 1.00 0.00 C ATOM 624 C GLY A 44 -5.582 -9.471 -5.681 1.00 0.00 C ATOM 625 O GLY A 44 -6.584 -9.467 -6.394 1.00 0.00 O ATOM 0 H GLY A 44 -4.310 -8.765 -2.701 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.715 -10.256 -3.695 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.649 -8.796 -3.954 1.00 0.00 H new ATOM 629 N ASN A 45 -4.353 -9.635 -6.160 1.00 0.00 N ATOM 630 CA ASN A 45 -4.108 -9.825 -7.585 1.00 0.00 C ATOM 631 C ASN A 45 -2.652 -10.203 -7.840 1.00 0.00 C ATOM 632 O ASN A 45 -1.851 -10.292 -6.911 1.00 0.00 O ATOM 633 CB ASN A 45 -4.459 -8.552 -8.358 1.00 0.00 C ATOM 634 CG ASN A 45 -4.751 -8.826 -9.821 1.00 0.00 C ATOM 635 OD1 ASN A 45 -5.615 -9.638 -10.152 1.00 0.00 O ATOM 636 ND2 ASN A 45 -4.028 -8.148 -10.705 1.00 0.00 N ATOM 0 H ASN A 45 -3.512 -9.640 -5.583 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.743 -10.640 -7.933 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.328 -8.079 -7.899 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.633 -7.844 -8.281 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.179 -8.291 -11.704 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.322 -7.485 -10.385 1.00 0.00 H new ATOM 643 N ASN A 46 -2.318 -10.425 -9.108 1.00 0.00 N ATOM 644 CA ASN A 46 -0.958 -10.794 -9.486 1.00 0.00 C ATOM 645 C ASN A 46 -0.008 -9.612 -9.321 1.00 0.00 C ATOM 646 O ASN A 46 0.921 -9.657 -8.514 1.00 0.00 O ATOM 647 CB ASN A 46 -0.926 -11.290 -10.933 1.00 0.00 C ATOM 648 CG ASN A 46 -1.872 -10.516 -11.831 1.00 0.00 C ATOM 649 OD1 ASN A 46 -1.507 -9.483 -12.392 1.00 0.00 O ATOM 650 ND2 ASN A 46 -3.096 -11.014 -11.969 1.00 0.00 N ATOM 0 H ASN A 46 -2.969 -10.356 -9.890 1.00 0.00 H new ATOM 0 HA ASN A 46 -0.629 -11.597 -8.826 1.00 0.00 H new ATOM 0 HB2 ASN A 46 0.089 -11.206 -11.321 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -1.190 -12.347 -10.958 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.777 -10.537 -12.559 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -3.354 -11.874 -11.485 1.00 0.00 H new ATOM 657 N VAL A 47 -0.248 -8.555 -10.090 1.00 0.00 N ATOM 658 CA VAL A 47 0.585 -7.359 -10.028 1.00 0.00 C ATOM 659 C VAL A 47 -0.248 -6.098 -10.227 1.00 0.00 C ATOM 660 O VAL A 47 -1.154 -6.065 -11.060 1.00 0.00 O ATOM 661 CB VAL A 47 1.701 -7.397 -11.089 1.00 0.00 C ATOM 662 CG1 VAL A 47 1.114 -7.266 -12.486 1.00 0.00 C ATOM 663 CG2 VAL A 47 2.723 -6.302 -10.826 1.00 0.00 C ATOM 0 H VAL A 47 -1.012 -8.502 -10.763 1.00 0.00 H new ATOM 0 HA VAL A 47 1.037 -7.339 -9.036 1.00 0.00 H new ATOM 0 HB VAL A 47 2.209 -8.359 -11.023 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.917 -7.295 -13.222 1.00 0.00 H new ATOM 0 HG12 VAL A 47 0.424 -8.090 -12.669 1.00 0.00 H new ATOM 0 HG13 VAL A 47 0.580 -6.320 -12.569 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.504 -6.344 -11.585 1.00 0.00 H new ATOM 0 HG22 VAL A 47 2.232 -5.330 -10.863 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.166 -6.447 -9.841 1.00 0.00 H new ATOM 673 N LEU A 48 0.065 -5.062 -9.457 1.00 0.00 N ATOM 674 CA LEU A 48 -0.655 -3.796 -9.549 1.00 0.00 C ATOM 675 C LEU A 48 -0.021 -2.884 -10.594 1.00 0.00 C ATOM 676 O LEU A 48 1.196 -2.891 -10.783 1.00 0.00 O ATOM 677 CB LEU A 48 -0.672 -3.097 -8.188 1.00 0.00 C ATOM 678 CG LEU A 48 -1.664 -3.648 -7.163 1.00 0.00 C ATOM 679 CD1 LEU A 48 -1.341 -3.122 -5.773 1.00 0.00 C ATOM 680 CD2 LEU A 48 -3.090 -3.287 -7.553 1.00 0.00 C ATOM 0 H LEU A 48 0.812 -5.073 -8.762 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.679 -4.010 -9.854 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.329 -3.152 -7.761 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.893 -2.041 -8.347 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.577 -4.734 -7.148 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.057 -3.524 -5.056 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.334 -3.431 -5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.400 -2.034 -5.773 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.782 -3.687 -6.812 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.192 -2.203 -7.596 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.319 -3.712 -8.530 1.00 0.00 H new ATOM 692 N ARG A 49 -0.854 -2.098 -11.269 1.00 0.00 N ATOM 693 CA ARG A 49 -0.374 -1.180 -12.295 1.00 0.00 C ATOM 694 C ARG A 49 -0.815 0.250 -11.993 1.00 0.00 C ATOM 695 O ARG A 49 -1.911 0.494 -11.487 1.00 0.00 O ATOM 696 CB ARG A 49 -0.890 -1.604 -13.671 1.00 0.00 C ATOM 697 CG ARG A 49 -0.114 -2.760 -14.282 1.00 0.00 C ATOM 698 CD ARG A 49 -0.786 -3.276 -15.545 1.00 0.00 C ATOM 699 NE ARG A 49 -1.044 -2.206 -16.504 1.00 0.00 N ATOM 700 CZ ARG A 49 -1.422 -2.419 -17.760 1.00 0.00 C ATOM 701 NH1 ARG A 49 -1.585 -3.658 -18.205 1.00 0.00 N ATOM 702 NH2 ARG A 49 -1.637 -1.393 -18.573 1.00 0.00 N ATOM 0 H ARG A 49 -1.863 -2.079 -11.124 1.00 0.00 H new ATOM 0 HA ARG A 49 0.715 -1.214 -12.297 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.939 -1.887 -13.585 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -0.844 -0.749 -14.346 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.900 -2.436 -14.515 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -0.032 -3.569 -13.556 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -0.154 -4.033 -16.008 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.726 -3.762 -15.283 1.00 0.00 H new ATOM 0 HE ARG A 49 -0.928 -1.242 -16.193 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -1.420 -4.449 -17.583 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.875 -3.819 -19.169 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.512 -0.439 -18.234 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.927 -1.558 -19.537 1.00 0.00 H new ATOM 716 N PRO A 50 0.057 1.218 -12.311 1.00 0.00 N ATOM 717 CA PRO A 50 -0.221 2.639 -12.083 1.00 0.00 C ATOM 718 C PRO A 50 -1.304 3.175 -13.013 1.00 0.00 C ATOM 719 O PRO A 50 -1.405 2.761 -14.167 1.00 0.00 O ATOM 720 CB PRO A 50 1.121 3.314 -12.379 1.00 0.00 C ATOM 721 CG PRO A 50 1.815 2.384 -13.313 1.00 0.00 C ATOM 722 CD PRO A 50 1.381 1.000 -12.917 1.00 0.00 C ATOM 0 HA PRO A 50 -0.595 2.825 -11.076 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.979 4.296 -12.831 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.699 3.463 -11.467 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.545 2.597 -14.348 1.00 0.00 H new ATOM 0 HG3 PRO A 50 2.897 2.490 -13.237 1.00 0.00 H new ATOM 0 HD2 PRO A 50 1.324 0.335 -13.779 1.00 0.00 H new ATOM 0 HD3 PRO A 50 2.077 0.547 -12.210 1.00 0.00 H new ATOM 730 N GLY A 51 -2.112 4.099 -12.502 1.00 0.00 N ATOM 731 CA GLY A 51 -3.177 4.676 -13.301 1.00 0.00 C ATOM 732 C GLY A 51 -3.978 5.712 -12.538 1.00 0.00 C ATOM 733 O GLY A 51 -3.438 6.424 -11.691 1.00 0.00 O ATOM 0 H GLY A 51 -2.048 4.458 -11.549 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.750 5.136 -14.192 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.844 3.883 -13.639 1.00 0.00 H new ATOM 737 N ASP A 52 -5.269 5.799 -12.839 1.00 0.00 N ATOM 738 CA ASP A 52 -6.146 6.757 -12.176 1.00 0.00 C ATOM 739 C ASP A 52 -6.589 6.235 -10.812 1.00 0.00 C ATOM 740 O ASP A 52 -6.549 6.957 -9.816 1.00 0.00 O ATOM 741 CB ASP A 52 -7.369 7.049 -13.046 1.00 0.00 C ATOM 742 CG ASP A 52 -7.103 8.127 -14.077 1.00 0.00 C ATOM 743 OD1 ASP A 52 -6.198 8.956 -13.847 1.00 0.00 O ATOM 744 OD2 ASP A 52 -7.800 8.143 -15.114 1.00 0.00 O ATOM 0 H ASP A 52 -5.731 5.218 -13.538 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.587 7.681 -12.027 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -7.677 6.134 -13.552 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.199 7.356 -12.409 1.00 0.00 H new ATOM 749 N LYS A 53 -7.011 4.976 -10.776 1.00 0.00 N ATOM 750 CA LYS A 53 -7.462 4.355 -9.536 1.00 0.00 C ATOM 751 C LYS A 53 -6.338 4.321 -8.505 1.00 0.00 C ATOM 752 O LYS A 53 -6.547 4.640 -7.334 1.00 0.00 O ATOM 753 CB LYS A 53 -7.965 2.935 -9.805 1.00 0.00 C ATOM 754 CG LYS A 53 -8.662 2.300 -8.614 1.00 0.00 C ATOM 755 CD LYS A 53 -10.102 2.771 -8.495 1.00 0.00 C ATOM 756 CE LYS A 53 -10.948 1.782 -7.708 1.00 0.00 C ATOM 757 NZ LYS A 53 -12.404 2.042 -7.875 1.00 0.00 N ATOM 0 H LYS A 53 -7.050 4.365 -11.592 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.281 4.953 -9.136 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.654 2.957 -10.649 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.122 2.309 -10.098 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.640 1.215 -8.714 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.121 2.546 -7.701 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.128 3.744 -8.005 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -10.526 2.903 -9.490 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.720 0.768 -8.036 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.687 1.841 -6.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.945 1.391 -7.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -12.615 3.023 -7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.671 1.894 -8.869 1.00 0.00 H new ATOM 771 N TYR A 54 -5.147 3.933 -8.948 1.00 0.00 N ATOM 772 CA TYR A 54 -3.991 3.857 -8.063 1.00 0.00 C ATOM 773 C TYR A 54 -2.957 4.918 -8.425 1.00 0.00 C ATOM 774 O TYR A 54 -3.082 5.602 -9.440 1.00 0.00 O ATOM 775 CB TYR A 54 -3.357 2.466 -8.137 1.00 0.00 C ATOM 776 CG TYR A 54 -4.307 1.348 -7.769 1.00 0.00 C ATOM 777 CD1 TYR A 54 -4.623 1.088 -6.441 1.00 0.00 C ATOM 778 CD2 TYR A 54 -4.887 0.552 -8.748 1.00 0.00 C ATOM 779 CE1 TYR A 54 -5.489 0.067 -6.100 1.00 0.00 C ATOM 780 CE2 TYR A 54 -5.755 -0.470 -8.417 1.00 0.00 C ATOM 781 CZ TYR A 54 -6.053 -0.709 -7.091 1.00 0.00 C ATOM 782 OH TYR A 54 -6.916 -1.727 -6.757 1.00 0.00 O ATOM 0 H TYR A 54 -4.957 3.666 -9.914 1.00 0.00 H new ATOM 0 HA TYR A 54 -4.333 4.041 -7.044 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.986 2.298 -9.148 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -2.495 2.433 -7.471 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.184 1.694 -5.662 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -4.655 0.735 -9.787 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -5.723 -0.123 -5.063 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -6.198 -1.079 -9.191 1.00 0.00 H new ATOM 0 HH TYR A 54 -7.224 -2.175 -7.572 1.00 0.00 H new ATOM 792 N SER A 55 -1.934 5.050 -7.586 1.00 0.00 N ATOM 793 CA SER A 55 -0.879 6.030 -7.814 1.00 0.00 C ATOM 794 C SER A 55 0.423 5.590 -7.152 1.00 0.00 C ATOM 795 O SER A 55 0.536 5.576 -5.925 1.00 0.00 O ATOM 796 CB SER A 55 -1.300 7.399 -7.276 1.00 0.00 C ATOM 797 OG SER A 55 -2.238 8.019 -8.139 1.00 0.00 O ATOM 0 H SER A 55 -1.814 4.490 -6.742 1.00 0.00 H new ATOM 0 HA SER A 55 -0.713 6.105 -8.889 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.735 7.285 -6.283 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.423 8.037 -7.169 1.00 0.00 H new ATOM 0 HG SER A 55 -2.558 7.367 -8.797 1.00 0.00 H new ATOM 803 N LEU A 56 1.404 5.230 -7.972 1.00 0.00 N ATOM 804 CA LEU A 56 2.700 4.789 -7.468 1.00 0.00 C ATOM 805 C LEU A 56 3.759 5.869 -7.670 1.00 0.00 C ATOM 806 O LEU A 56 4.177 6.139 -8.796 1.00 0.00 O ATOM 807 CB LEU A 56 3.130 3.499 -8.168 1.00 0.00 C ATOM 808 CG LEU A 56 2.305 2.253 -7.846 1.00 0.00 C ATOM 809 CD1 LEU A 56 0.899 2.384 -8.413 1.00 0.00 C ATOM 810 CD2 LEU A 56 2.987 1.006 -8.389 1.00 0.00 C ATOM 0 H LEU A 56 1.327 5.235 -8.989 1.00 0.00 H new ATOM 0 HA LEU A 56 2.601 4.599 -6.399 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.095 3.665 -9.245 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.170 3.298 -7.910 1.00 0.00 H new ATOM 0 HG LEU A 56 2.231 2.159 -6.763 1.00 0.00 H new ATOM 0 HD11 LEU A 56 0.326 1.488 -8.175 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.410 3.255 -7.976 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.953 2.503 -9.495 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.385 0.129 -8.150 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.092 1.091 -9.471 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.973 0.904 -7.936 1.00 0.00 H new ATOM 822 N ARG A 57 4.190 6.480 -6.571 1.00 0.00 N ATOM 823 CA ARG A 57 5.201 7.529 -6.628 1.00 0.00 C ATOM 824 C ARG A 57 6.369 7.209 -5.700 1.00 0.00 C ATOM 825 O ARG A 57 6.207 7.153 -4.481 1.00 0.00 O ATOM 826 CB ARG A 57 4.589 8.879 -6.248 1.00 0.00 C ATOM 827 CG ARG A 57 5.389 10.072 -6.745 1.00 0.00 C ATOM 828 CD ARG A 57 4.842 11.378 -6.191 1.00 0.00 C ATOM 829 NE ARG A 57 5.083 11.509 -4.757 1.00 0.00 N ATOM 830 CZ ARG A 57 4.814 12.610 -4.063 1.00 0.00 C ATOM 831 NH1 ARG A 57 4.296 13.669 -4.670 1.00 0.00 N ATOM 832 NH2 ARG A 57 5.062 12.652 -2.760 1.00 0.00 N ATOM 0 H ARG A 57 3.855 6.267 -5.631 1.00 0.00 H new ATOM 0 HA ARG A 57 5.575 7.583 -7.650 1.00 0.00 H new ATOM 0 HB2 ARG A 57 3.578 8.937 -6.652 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.503 8.937 -5.163 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.433 9.960 -6.451 1.00 0.00 H new ATOM 0 HG3 ARG A 57 5.365 10.099 -7.834 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.304 12.215 -6.714 1.00 0.00 H new ATOM 0 HD3 ARG A 57 3.771 11.433 -6.385 1.00 0.00 H new ATOM 0 HE ARG A 57 5.480 10.711 -4.260 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.103 13.639 -5.671 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.090 14.513 -4.136 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.460 11.839 -2.290 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.855 13.498 -2.228 1.00 0.00 H new ATOM 846 N GLN A 58 7.544 7.001 -6.285 1.00 0.00 N ATOM 847 CA GLN A 58 8.738 6.686 -5.510 1.00 0.00 C ATOM 848 C GLN A 58 9.426 7.959 -5.027 1.00 0.00 C ATOM 849 O GLN A 58 9.548 8.929 -5.773 1.00 0.00 O ATOM 850 CB GLN A 58 9.710 5.853 -6.347 1.00 0.00 C ATOM 851 CG GLN A 58 11.002 5.512 -5.621 1.00 0.00 C ATOM 852 CD GLN A 58 10.903 4.224 -4.828 1.00 0.00 C ATOM 853 OE1 GLN A 58 10.155 3.315 -5.188 1.00 0.00 O ATOM 854 NE2 GLN A 58 11.660 4.139 -3.740 1.00 0.00 N ATOM 0 H GLN A 58 7.695 7.045 -7.293 1.00 0.00 H new ATOM 0 HA GLN A 58 8.432 6.107 -4.638 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.217 4.928 -6.648 1.00 0.00 H new ATOM 0 HB3 GLN A 58 9.949 6.398 -7.260 1.00 0.00 H new ATOM 0 HG2 GLN A 58 11.810 5.426 -6.347 1.00 0.00 H new ATOM 0 HG3 GLN A 58 11.263 6.329 -4.949 1.00 0.00 H new ATOM 0 HE21 GLN A 58 12.266 4.917 -3.478 1.00 0.00 H new ATOM 0 HE22 GLN A 58 11.635 3.296 -3.166 1.00 0.00 H new ATOM 863 N GLU A 59 9.872 7.946 -3.775 1.00 0.00 N ATOM 864 CA GLU A 59 10.546 9.101 -3.193 1.00 0.00 C ATOM 865 C GLU A 59 11.817 8.678 -2.463 1.00 0.00 C ATOM 866 O GLU A 59 11.818 8.508 -1.244 1.00 0.00 O ATOM 867 CB GLU A 59 9.610 9.833 -2.229 1.00 0.00 C ATOM 868 CG GLU A 59 9.977 11.292 -2.016 1.00 0.00 C ATOM 869 CD GLU A 59 11.260 11.462 -1.225 1.00 0.00 C ATOM 870 OE1 GLU A 59 12.348 11.313 -1.819 1.00 0.00 O ATOM 871 OE2 GLU A 59 11.174 11.744 -0.012 1.00 0.00 O ATOM 0 H GLU A 59 9.779 7.149 -3.145 1.00 0.00 H new ATOM 0 HA GLU A 59 10.821 9.776 -4.004 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.591 9.775 -2.611 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.619 9.320 -1.267 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.084 11.781 -2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.163 11.795 -1.494 1.00 0.00 H new ATOM 878 N GLY A 60 12.898 8.509 -3.218 1.00 0.00 N ATOM 879 CA GLY A 60 14.161 8.106 -2.626 1.00 0.00 C ATOM 880 C GLY A 60 14.141 6.672 -2.138 1.00 0.00 C ATOM 881 O GLY A 60 14.342 5.741 -2.917 1.00 0.00 O ATOM 0 H GLY A 60 12.922 8.644 -4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 60 14.957 8.225 -3.360 1.00 0.00 H new ATOM 0 HA3 GLY A 60 14.395 8.767 -1.792 1.00 0.00 H new ATOM 885 N ALA A 61 13.900 6.492 -0.843 1.00 0.00 N ATOM 886 CA ALA A 61 13.854 5.160 -0.252 1.00 0.00 C ATOM 887 C ALA A 61 12.523 4.916 0.451 1.00 0.00 C ATOM 888 O ALA A 61 12.459 4.194 1.445 1.00 0.00 O ATOM 889 CB ALA A 61 15.009 4.975 0.721 1.00 0.00 C ATOM 0 H ALA A 61 13.734 7.252 -0.183 1.00 0.00 H new ATOM 0 HA ALA A 61 13.949 4.430 -1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 61 14.963 3.976 1.155 1.00 0.00 H new ATOM 0 HB2 ALA A 61 15.954 5.097 0.192 1.00 0.00 H new ATOM 0 HB3 ALA A 61 14.939 5.719 1.514 1.00 0.00 H new ATOM 895 N MET A 62 11.463 5.525 -0.071 1.00 0.00 N ATOM 896 CA MET A 62 10.133 5.373 0.507 1.00 0.00 C ATOM 897 C MET A 62 9.093 5.119 -0.579 1.00 0.00 C ATOM 898 O MET A 62 9.107 5.763 -1.629 1.00 0.00 O ATOM 899 CB MET A 62 9.757 6.621 1.308 1.00 0.00 C ATOM 900 CG MET A 62 8.477 6.464 2.113 1.00 0.00 C ATOM 901 SD MET A 62 6.995 6.716 1.117 1.00 0.00 S ATOM 902 CE MET A 62 6.993 8.500 0.959 1.00 0.00 C ATOM 0 H MET A 62 11.499 6.128 -0.893 1.00 0.00 H new ATOM 0 HA MET A 62 10.151 4.512 1.175 1.00 0.00 H new ATOM 0 HB2 MET A 62 10.574 6.868 1.985 1.00 0.00 H new ATOM 0 HB3 MET A 62 9.645 7.462 0.624 1.00 0.00 H new ATOM 0 HG2 MET A 62 8.449 5.467 2.553 1.00 0.00 H new ATOM 0 HG3 MET A 62 8.481 7.177 2.938 1.00 0.00 H new ATOM 0 HE1 MET A 62 6.017 8.833 0.607 1.00 0.00 H new ATOM 0 HE2 MET A 62 7.203 8.951 1.929 1.00 0.00 H new ATOM 0 HE3 MET A 62 7.759 8.803 0.245 1.00 0.00 H new ATOM 912 N LEU A 63 8.193 4.176 -0.321 1.00 0.00 N ATOM 913 CA LEU A 63 7.146 3.836 -1.278 1.00 0.00 C ATOM 914 C LEU A 63 5.817 4.469 -0.878 1.00 0.00 C ATOM 915 O LEU A 63 5.460 4.492 0.300 1.00 0.00 O ATOM 916 CB LEU A 63 6.992 2.318 -1.378 1.00 0.00 C ATOM 917 CG LEU A 63 8.130 1.572 -2.074 1.00 0.00 C ATOM 918 CD1 LEU A 63 8.596 2.336 -3.304 1.00 0.00 C ATOM 919 CD2 LEU A 63 9.289 1.349 -1.112 1.00 0.00 C ATOM 0 H LEU A 63 8.167 3.634 0.542 1.00 0.00 H new ATOM 0 HA LEU A 63 7.436 4.230 -2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.884 1.917 -0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.065 2.101 -1.908 1.00 0.00 H new ATOM 0 HG LEU A 63 7.758 0.599 -2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 63 9.406 1.790 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 63 7.765 2.444 -4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 63 8.950 3.323 -3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 63 10.090 0.817 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.660 2.312 -0.760 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.948 0.759 -0.261 1.00 0.00 H new ATOM 931 N GLU A 64 5.088 4.979 -1.866 1.00 0.00 N ATOM 932 CA GLU A 64 3.798 5.610 -1.616 1.00 0.00 C ATOM 933 C GLU A 64 2.721 5.027 -2.527 1.00 0.00 C ATOM 934 O GLU A 64 2.882 4.983 -3.747 1.00 0.00 O ATOM 935 CB GLU A 64 3.895 7.122 -1.826 1.00 0.00 C ATOM 936 CG GLU A 64 2.678 7.885 -1.331 1.00 0.00 C ATOM 937 CD GLU A 64 1.621 8.058 -2.404 1.00 0.00 C ATOM 938 OE1 GLU A 64 1.289 7.058 -3.075 1.00 0.00 O ATOM 939 OE2 GLU A 64 1.127 9.192 -2.574 1.00 0.00 O ATOM 0 H GLU A 64 5.369 4.967 -2.846 1.00 0.00 H new ATOM 0 HA GLU A 64 3.520 5.412 -0.581 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.781 7.495 -1.312 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.033 7.325 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.245 7.358 -0.481 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.990 8.866 -0.972 1.00 0.00 H new ATOM 946 N LEU A 65 1.624 4.580 -1.925 1.00 0.00 N ATOM 947 CA LEU A 65 0.520 3.999 -2.681 1.00 0.00 C ATOM 948 C LEU A 65 -0.813 4.600 -2.247 1.00 0.00 C ATOM 949 O LEU A 65 -1.173 4.555 -1.071 1.00 0.00 O ATOM 950 CB LEU A 65 0.492 2.480 -2.495 1.00 0.00 C ATOM 951 CG LEU A 65 -0.684 1.747 -3.141 1.00 0.00 C ATOM 952 CD1 LEU A 65 -0.434 1.541 -4.626 1.00 0.00 C ATOM 953 CD2 LEU A 65 -0.925 0.413 -2.449 1.00 0.00 C ATOM 0 H LEU A 65 1.475 4.609 -0.916 1.00 0.00 H new ATOM 0 HA LEU A 65 0.675 4.227 -3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.417 2.067 -2.898 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.486 2.265 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.577 2.361 -3.026 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.282 1.018 -5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.311 2.509 -5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.470 0.948 -4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.765 -0.095 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.032 -0.207 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.150 0.585 -1.396 1.00 0.00 H new ATOM 965 N VAL A 66 -1.543 5.161 -3.206 1.00 0.00 N ATOM 966 CA VAL A 66 -2.838 5.769 -2.925 1.00 0.00 C ATOM 967 C VAL A 66 -3.971 4.964 -3.552 1.00 0.00 C ATOM 968 O VAL A 66 -3.798 4.341 -4.600 1.00 0.00 O ATOM 969 CB VAL A 66 -2.903 7.217 -3.445 1.00 0.00 C ATOM 970 CG1 VAL A 66 -4.323 7.756 -3.349 1.00 0.00 C ATOM 971 CG2 VAL A 66 -1.935 8.103 -2.675 1.00 0.00 C ATOM 0 H VAL A 66 -1.259 5.207 -4.185 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.956 5.774 -1.841 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.608 7.221 -4.494 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -4.349 8.780 -3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -4.989 7.135 -3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -4.649 7.739 -2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.994 9.123 -3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -2.197 8.095 -1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.920 7.727 -2.800 1.00 0.00 H new ATOM 981 N VAL A 67 -5.131 4.981 -2.903 1.00 0.00 N ATOM 982 CA VAL A 67 -6.294 4.254 -3.398 1.00 0.00 C ATOM 983 C VAL A 67 -7.559 5.097 -3.282 1.00 0.00 C ATOM 984 O VAL A 67 -8.097 5.280 -2.190 1.00 0.00 O ATOM 985 CB VAL A 67 -6.498 2.933 -2.631 1.00 0.00 C ATOM 986 CG1 VAL A 67 -7.677 2.161 -3.203 1.00 0.00 C ATOM 987 CG2 VAL A 67 -5.230 2.094 -2.670 1.00 0.00 C ATOM 0 H VAL A 67 -5.290 5.490 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.105 4.031 -4.448 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.719 3.167 -1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.806 1.231 -2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.582 2.763 -3.118 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.489 1.935 -4.253 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.392 1.165 -2.124 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.976 1.867 -3.705 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.413 2.648 -2.209 1.00 0.00 H new ATOM 997 N ARG A 68 -8.029 5.607 -4.415 1.00 0.00 N ATOM 998 CA ARG A 68 -9.231 6.432 -4.442 1.00 0.00 C ATOM 999 C ARG A 68 -10.484 5.564 -4.500 1.00 0.00 C ATOM 1000 O ARG A 68 -10.438 4.420 -4.951 1.00 0.00 O ATOM 1001 CB ARG A 68 -9.198 7.381 -5.641 1.00 0.00 C ATOM 1002 CG ARG A 68 -8.232 8.543 -5.473 1.00 0.00 C ATOM 1003 CD ARG A 68 -8.643 9.736 -6.321 1.00 0.00 C ATOM 1004 NE ARG A 68 -9.834 10.398 -5.794 1.00 0.00 N ATOM 1005 CZ ARG A 68 -10.546 11.284 -6.481 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -10.191 11.612 -7.716 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -11.617 11.844 -5.933 1.00 0.00 N ATOM 0 H ARG A 68 -7.596 5.464 -5.327 1.00 0.00 H new ATOM 0 HA ARG A 68 -9.259 7.020 -3.524 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.923 6.817 -6.532 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -10.200 7.775 -5.810 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -8.194 8.837 -4.424 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.227 8.226 -5.752 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -7.821 10.450 -6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -8.833 9.406 -7.342 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.135 10.167 -4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.369 11.183 -8.141 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.740 12.293 -8.241 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.894 11.594 -4.984 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -12.163 12.524 -6.461 1.00 0.00 H new ATOM 1021 N ASN A 69 -11.602 6.116 -4.041 1.00 0.00 N ATOM 1022 CA ASN A 69 -12.868 5.392 -4.040 1.00 0.00 C ATOM 1023 C ASN A 69 -12.799 4.177 -3.120 1.00 0.00 C ATOM 1024 O ASN A 69 -13.173 3.069 -3.508 1.00 0.00 O ATOM 1025 CB ASN A 69 -13.229 4.951 -5.460 1.00 0.00 C ATOM 1026 CG ASN A 69 -14.727 4.839 -5.668 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -15.266 3.740 -5.799 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -15.407 5.979 -5.699 1.00 0.00 N ATOM 0 H ASN A 69 -11.657 7.062 -3.665 1.00 0.00 H new ATOM 0 HA ASN A 69 -13.642 6.064 -3.668 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.818 5.664 -6.174 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -12.763 3.988 -5.668 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -16.418 5.966 -5.836 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -14.919 6.867 -5.586 1.00 0.00 H new ATOM 1035 N LEU A 70 -12.320 4.392 -1.900 1.00 0.00 N ATOM 1036 CA LEU A 70 -12.202 3.314 -0.923 1.00 0.00 C ATOM 1037 C LEU A 70 -13.535 2.597 -0.740 1.00 0.00 C ATOM 1038 O LEU A 70 -14.599 3.185 -0.933 1.00 0.00 O ATOM 1039 CB LEU A 70 -11.718 3.867 0.419 1.00 0.00 C ATOM 1040 CG LEU A 70 -10.268 4.350 0.462 1.00 0.00 C ATOM 1041 CD1 LEU A 70 -9.988 5.080 1.767 1.00 0.00 C ATOM 1042 CD2 LEU A 70 -9.311 3.180 0.288 1.00 0.00 C ATOM 0 H LEU A 70 -12.007 5.302 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 70 -11.473 2.595 -1.297 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.365 4.697 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -11.845 3.092 1.175 1.00 0.00 H new ATOM 0 HG LEU A 70 -10.112 5.047 -0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -8.951 5.417 1.780 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -10.650 5.941 1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.161 4.406 2.606 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.284 3.542 0.321 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.468 2.459 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.495 2.699 -0.673 1.00 0.00 H new ATOM 1054 N ARG A 71 -13.470 1.324 -0.365 1.00 0.00 N ATOM 1055 CA ARG A 71 -14.672 0.526 -0.155 1.00 0.00 C ATOM 1056 C ARG A 71 -14.486 -0.442 1.009 1.00 0.00 C ATOM 1057 O ARG A 71 -13.375 -0.875 1.317 1.00 0.00 O ATOM 1058 CB ARG A 71 -15.024 -0.249 -1.426 1.00 0.00 C ATOM 1059 CG ARG A 71 -15.395 0.642 -2.600 1.00 0.00 C ATOM 1060 CD ARG A 71 -15.849 -0.176 -3.799 1.00 0.00 C ATOM 1061 NE ARG A 71 -14.725 -0.789 -4.501 1.00 0.00 N ATOM 1062 CZ ARG A 71 -14.866 -1.644 -5.508 1.00 0.00 C ATOM 1063 NH1 ARG A 71 -16.076 -1.985 -5.928 1.00 0.00 N ATOM 1064 NH2 ARG A 71 -13.794 -2.160 -6.097 1.00 0.00 N ATOM 0 H ARG A 71 -12.597 0.823 -0.200 1.00 0.00 H new ATOM 0 HA ARG A 71 -15.490 1.204 0.087 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -14.175 -0.872 -1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -15.856 -0.920 -1.213 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -16.190 1.325 -2.302 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -14.537 1.254 -2.879 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -16.537 -0.954 -3.468 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -16.400 0.465 -4.487 1.00 0.00 H new ATOM 0 HE ARG A 71 -13.780 -0.548 -4.202 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -16.902 -1.591 -5.478 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -16.181 -2.642 -6.701 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -12.861 -1.900 -5.776 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -13.903 -2.816 -6.870 1.00 0.00 H new ATOM 1078 N PRO A 72 -15.598 -0.790 1.674 1.00 0.00 N ATOM 1079 CA PRO A 72 -15.583 -1.710 2.815 1.00 0.00 C ATOM 1080 C PRO A 72 -15.265 -3.142 2.400 1.00 0.00 C ATOM 1081 O PRO A 72 -15.169 -4.035 3.242 1.00 0.00 O ATOM 1082 CB PRO A 72 -17.008 -1.616 3.365 1.00 0.00 C ATOM 1083 CG PRO A 72 -17.837 -1.196 2.200 1.00 0.00 C ATOM 1084 CD PRO A 72 -16.955 -0.311 1.363 1.00 0.00 C ATOM 0 HA PRO A 72 -14.814 -1.447 3.541 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -17.342 -2.574 3.764 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.072 -0.892 4.178 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -18.176 -2.061 1.630 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -18.728 -0.661 2.528 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -17.181 -0.407 0.301 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.079 0.741 1.622 1.00 0.00 H new ATOM 1092 N GLN A 73 -15.103 -3.354 1.098 1.00 0.00 N ATOM 1093 CA GLN A 73 -14.797 -4.680 0.572 1.00 0.00 C ATOM 1094 C GLN A 73 -13.339 -4.767 0.133 1.00 0.00 C ATOM 1095 O GLN A 73 -12.747 -5.846 0.120 1.00 0.00 O ATOM 1096 CB GLN A 73 -15.717 -5.011 -0.603 1.00 0.00 C ATOM 1097 CG GLN A 73 -17.192 -5.021 -0.237 1.00 0.00 C ATOM 1098 CD GLN A 73 -18.077 -5.456 -1.389 1.00 0.00 C ATOM 1099 OE1 GLN A 73 -17.746 -5.243 -2.555 1.00 0.00 O ATOM 1100 NE2 GLN A 73 -19.209 -6.071 -1.067 1.00 0.00 N ATOM 0 H GLN A 73 -15.178 -2.625 0.388 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.962 -5.406 1.368 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -15.553 -4.283 -1.398 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.444 -5.987 -1.004 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -17.348 -5.691 0.609 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -17.489 -4.024 0.087 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -19.444 -6.227 -0.087 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -19.844 -6.388 -1.800 1.00 0.00 H new ATOM 1109 N ASP A 74 -12.766 -3.624 -0.228 1.00 0.00 N ATOM 1110 CA ASP A 74 -11.377 -3.571 -0.669 1.00 0.00 C ATOM 1111 C ASP A 74 -10.440 -4.067 0.428 1.00 0.00 C ATOM 1112 O ASP A 74 -9.468 -4.773 0.156 1.00 0.00 O ATOM 1113 CB ASP A 74 -11.001 -2.144 -1.070 1.00 0.00 C ATOM 1114 CG ASP A 74 -11.365 -1.832 -2.509 1.00 0.00 C ATOM 1115 OD1 ASP A 74 -12.515 -2.116 -2.904 1.00 0.00 O ATOM 1116 OD2 ASP A 74 -10.500 -1.305 -3.239 1.00 0.00 O ATOM 0 H ASP A 74 -13.242 -2.722 -0.224 1.00 0.00 H new ATOM 0 HA ASP A 74 -11.272 -4.224 -1.536 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.506 -1.439 -0.410 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.930 -2.001 -0.930 1.00 0.00 H new ATOM 1121 N SER A 75 -10.737 -3.693 1.668 1.00 0.00 N ATOM 1122 CA SER A 75 -9.919 -4.096 2.806 1.00 0.00 C ATOM 1123 C SER A 75 -9.579 -5.581 2.731 1.00 0.00 C ATOM 1124 O SER A 75 -10.404 -6.435 3.054 1.00 0.00 O ATOM 1125 CB SER A 75 -10.646 -3.792 4.117 1.00 0.00 C ATOM 1126 OG SER A 75 -11.933 -4.386 4.136 1.00 0.00 O ATOM 0 H SER A 75 -11.539 -3.111 1.911 1.00 0.00 H new ATOM 0 HA SER A 75 -8.990 -3.527 2.775 1.00 0.00 H new ATOM 0 HB2 SER A 75 -10.058 -4.163 4.957 1.00 0.00 H new ATOM 0 HB3 SER A 75 -10.738 -2.713 4.244 1.00 0.00 H new ATOM 0 HG SER A 75 -11.888 -5.277 3.730 1.00 0.00 H new ATOM 1132 N GLY A 76 -8.356 -5.881 2.304 1.00 0.00 N ATOM 1133 CA GLY A 76 -7.927 -7.263 2.194 1.00 0.00 C ATOM 1134 C GLY A 76 -6.557 -7.495 2.799 1.00 0.00 C ATOM 1135 O GLY A 76 -6.349 -7.257 3.989 1.00 0.00 O ATOM 0 H GLY A 76 -7.655 -5.192 2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.654 -7.906 2.690 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -7.910 -7.552 1.143 1.00 0.00 H new ATOM 1139 N ARG A 77 -5.621 -7.961 1.979 1.00 0.00 N ATOM 1140 CA ARG A 77 -4.264 -8.227 2.441 1.00 0.00 C ATOM 1141 C ARG A 77 -3.238 -7.558 1.532 1.00 0.00 C ATOM 1142 O ARG A 77 -2.839 -8.118 0.511 1.00 0.00 O ATOM 1143 CB ARG A 77 -4.007 -9.735 2.495 1.00 0.00 C ATOM 1144 CG ARG A 77 -2.630 -10.100 3.023 1.00 0.00 C ATOM 1145 CD ARG A 77 -2.628 -11.476 3.671 1.00 0.00 C ATOM 1146 NE ARG A 77 -3.446 -11.513 4.880 1.00 0.00 N ATOM 1147 CZ ARG A 77 -3.349 -12.461 5.804 1.00 0.00 C ATOM 1148 NH1 ARG A 77 -2.472 -13.445 5.659 1.00 0.00 N ATOM 1149 NH2 ARG A 77 -4.128 -12.426 6.878 1.00 0.00 N ATOM 0 H ARG A 77 -5.777 -8.162 0.991 1.00 0.00 H new ATOM 0 HA ARG A 77 -4.161 -7.811 3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -4.764 -10.202 3.126 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -4.125 -10.151 1.494 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -1.909 -10.081 2.206 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -2.308 -9.354 3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -3.000 -12.213 2.959 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -1.605 -11.759 3.917 1.00 0.00 H new ATOM 0 HE ARG A 77 -4.130 -10.769 5.022 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -1.870 -13.475 4.836 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -2.399 -14.172 6.370 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -4.803 -11.670 6.994 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -4.052 -13.155 7.587 1.00 0.00 H new ATOM 1163 N TYR A 78 -2.816 -6.356 1.909 1.00 0.00 N ATOM 1164 CA TYR A 78 -1.839 -5.609 1.126 1.00 0.00 C ATOM 1165 C TYR A 78 -0.416 -5.973 1.539 1.00 0.00 C ATOM 1166 O TYR A 78 0.071 -5.537 2.582 1.00 0.00 O ATOM 1167 CB TYR A 78 -2.061 -4.105 1.296 1.00 0.00 C ATOM 1168 CG TYR A 78 -3.286 -3.589 0.575 1.00 0.00 C ATOM 1169 CD1 TYR A 78 -4.531 -3.586 1.193 1.00 0.00 C ATOM 1170 CD2 TYR A 78 -3.199 -3.103 -0.724 1.00 0.00 C ATOM 1171 CE1 TYR A 78 -5.653 -3.117 0.538 1.00 0.00 C ATOM 1172 CE2 TYR A 78 -4.315 -2.630 -1.386 1.00 0.00 C ATOM 1173 CZ TYR A 78 -5.540 -2.639 -0.751 1.00 0.00 C ATOM 1174 OH TYR A 78 -6.655 -2.169 -1.407 1.00 0.00 O ATOM 0 H TYR A 78 -3.135 -5.878 2.752 1.00 0.00 H new ATOM 0 HA TYR A 78 -1.973 -5.874 0.077 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -2.152 -3.877 2.358 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -1.183 -3.573 0.930 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -4.623 -3.957 2.203 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -2.242 -3.095 -1.225 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -6.613 -3.124 1.032 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -4.229 -2.255 -2.395 1.00 0.00 H new ATOM 0 HH TYR A 78 -6.748 -2.631 -2.266 1.00 0.00 H new ATOM 1184 N SER A 79 0.245 -6.776 0.711 1.00 0.00 N ATOM 1185 CA SER A 79 1.612 -7.203 0.990 1.00 0.00 C ATOM 1186 C SER A 79 2.568 -6.700 -0.087 1.00 0.00 C ATOM 1187 O SER A 79 2.209 -6.615 -1.262 1.00 0.00 O ATOM 1188 CB SER A 79 1.683 -8.729 1.080 1.00 0.00 C ATOM 1189 OG SER A 79 1.477 -9.324 -0.189 1.00 0.00 O ATOM 0 H SER A 79 -0.143 -7.144 -0.158 1.00 0.00 H new ATOM 0 HA SER A 79 1.913 -6.775 1.946 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.655 -9.029 1.472 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.931 -9.091 1.781 1.00 0.00 H new ATOM 0 HG SER A 79 1.529 -10.299 -0.105 1.00 0.00 H new ATOM 1195 N CYS A 80 3.788 -6.368 0.323 1.00 0.00 N ATOM 1196 CA CYS A 80 4.797 -5.872 -0.606 1.00 0.00 C ATOM 1197 C CYS A 80 6.001 -6.807 -0.650 1.00 0.00 C ATOM 1198 O CYS A 80 6.760 -6.906 0.315 1.00 0.00 O ATOM 1199 CB CYS A 80 5.244 -4.466 -0.203 1.00 0.00 C ATOM 1200 SG CYS A 80 5.789 -3.440 -1.588 1.00 0.00 S ATOM 0 H CYS A 80 4.102 -6.433 1.291 1.00 0.00 H new ATOM 0 HA CYS A 80 4.352 -5.833 -1.600 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.419 -3.965 0.304 1.00 0.00 H new ATOM 0 HB3 CYS A 80 6.058 -4.548 0.517 1.00 0.00 H new ATOM 0 HG CYS A 80 4.779 -2.768 -2.054 1.00 0.00 H new ATOM 1206 N SER A 81 6.169 -7.494 -1.776 1.00 0.00 N ATOM 1207 CA SER A 81 7.278 -8.426 -1.944 1.00 0.00 C ATOM 1208 C SER A 81 8.430 -7.770 -2.699 1.00 0.00 C ATOM 1209 O SER A 81 8.239 -7.205 -3.776 1.00 0.00 O ATOM 1210 CB SER A 81 6.811 -9.678 -2.690 1.00 0.00 C ATOM 1211 OG SER A 81 5.822 -10.373 -1.951 1.00 0.00 O ATOM 0 H SER A 81 5.552 -7.423 -2.585 1.00 0.00 H new ATOM 0 HA SER A 81 7.633 -8.713 -0.954 1.00 0.00 H new ATOM 0 HB2 SER A 81 6.411 -9.397 -3.664 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.662 -10.335 -2.873 1.00 0.00 H new ATOM 0 HG SER A 81 5.539 -11.168 -2.450 1.00 0.00 H new ATOM 1217 N PHE A 82 9.626 -7.849 -2.126 1.00 0.00 N ATOM 1218 CA PHE A 82 10.810 -7.262 -2.743 1.00 0.00 C ATOM 1219 C PHE A 82 12.084 -7.839 -2.132 1.00 0.00 C ATOM 1220 O PHE A 82 12.414 -7.560 -0.980 1.00 0.00 O ATOM 1221 CB PHE A 82 10.795 -5.741 -2.580 1.00 0.00 C ATOM 1222 CG PHE A 82 12.014 -5.066 -3.142 1.00 0.00 C ATOM 1223 CD1 PHE A 82 12.272 -5.094 -4.502 1.00 0.00 C ATOM 1224 CD2 PHE A 82 12.901 -4.404 -2.308 1.00 0.00 C ATOM 1225 CE1 PHE A 82 13.393 -4.474 -5.023 1.00 0.00 C ATOM 1226 CE2 PHE A 82 14.023 -3.782 -2.823 1.00 0.00 C ATOM 1227 CZ PHE A 82 14.270 -3.818 -4.182 1.00 0.00 C ATOM 0 H PHE A 82 9.801 -8.314 -1.235 1.00 0.00 H new ATOM 0 HA PHE A 82 10.795 -7.506 -3.805 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.908 -5.340 -3.071 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.711 -5.498 -1.521 1.00 0.00 H new ATOM 0 HD1 PHE A 82 11.590 -5.606 -5.164 1.00 0.00 H new ATOM 0 HD2 PHE A 82 12.714 -4.374 -1.245 1.00 0.00 H new ATOM 0 HE1 PHE A 82 13.582 -4.503 -6.086 1.00 0.00 H new ATOM 0 HE2 PHE A 82 14.706 -3.268 -2.163 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.147 -3.334 -4.586 1.00 0.00 H new ATOM 1237 N GLY A 83 12.796 -8.646 -2.913 1.00 0.00 N ATOM 1238 CA GLY A 83 14.025 -9.249 -2.433 1.00 0.00 C ATOM 1239 C GLY A 83 13.796 -10.612 -1.809 1.00 0.00 C ATOM 1240 O GLY A 83 13.573 -11.596 -2.515 1.00 0.00 O ATOM 0 H GLY A 83 12.543 -8.893 -3.870 1.00 0.00 H new ATOM 0 HA2 GLY A 83 14.727 -9.345 -3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 83 14.487 -8.589 -1.699 1.00 0.00 H new ATOM 1244 N ASP A 84 13.853 -10.671 -0.483 1.00 0.00 N ATOM 1245 CA ASP A 84 13.651 -11.924 0.236 1.00 0.00 C ATOM 1246 C ASP A 84 12.569 -11.771 1.300 1.00 0.00 C ATOM 1247 O ASP A 84 11.737 -12.659 1.485 1.00 0.00 O ATOM 1248 CB ASP A 84 14.959 -12.382 0.883 1.00 0.00 C ATOM 1249 CG ASP A 84 14.845 -13.759 1.506 1.00 0.00 C ATOM 1250 OD1 ASP A 84 14.308 -13.859 2.629 1.00 0.00 O ATOM 1251 OD2 ASP A 84 15.293 -14.737 0.872 1.00 0.00 O ATOM 0 H ASP A 84 14.037 -9.866 0.116 1.00 0.00 H new ATOM 0 HA ASP A 84 13.326 -12.678 -0.481 1.00 0.00 H new ATOM 0 HB2 ASP A 84 15.749 -12.390 0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 84 15.254 -11.664 1.648 1.00 0.00 H new ATOM 1256 N GLN A 85 12.587 -10.639 1.997 1.00 0.00 N ATOM 1257 CA GLN A 85 11.608 -10.371 3.044 1.00 0.00 C ATOM 1258 C GLN A 85 10.330 -9.782 2.456 1.00 0.00 C ATOM 1259 O GLN A 85 10.355 -9.137 1.408 1.00 0.00 O ATOM 1260 CB GLN A 85 12.192 -9.416 4.086 1.00 0.00 C ATOM 1261 CG GLN A 85 13.312 -10.028 4.912 1.00 0.00 C ATOM 1262 CD GLN A 85 14.413 -10.620 4.054 1.00 0.00 C ATOM 1263 OE1 GLN A 85 14.629 -11.832 4.050 1.00 0.00 O ATOM 1264 NE2 GLN A 85 15.117 -9.765 3.321 1.00 0.00 N ATOM 0 H GLN A 85 13.268 -9.893 1.856 1.00 0.00 H new ATOM 0 HA GLN A 85 11.362 -11.317 3.527 1.00 0.00 H new ATOM 0 HB2 GLN A 85 12.569 -8.527 3.581 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.395 -9.090 4.755 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.736 -9.265 5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.901 -10.805 5.556 1.00 0.00 H new ATOM 0 HE21 GLN A 85 14.904 -8.768 3.355 1.00 0.00 H new ATOM 0 HE22 GLN A 85 15.871 -10.105 2.724 1.00 0.00 H new ATOM 1273 N THR A 86 9.211 -10.008 3.139 1.00 0.00 N ATOM 1274 CA THR A 86 7.923 -9.501 2.684 1.00 0.00 C ATOM 1275 C THR A 86 7.042 -9.102 3.862 1.00 0.00 C ATOM 1276 O THR A 86 6.954 -9.822 4.858 1.00 0.00 O ATOM 1277 CB THR A 86 7.178 -10.544 1.830 1.00 0.00 C ATOM 1278 OG1 THR A 86 7.986 -10.930 0.713 1.00 0.00 O ATOM 1279 CG2 THR A 86 5.850 -9.990 1.336 1.00 0.00 C ATOM 0 H THR A 86 9.172 -10.539 4.009 1.00 0.00 H new ATOM 0 HA THR A 86 8.128 -8.622 2.073 1.00 0.00 H new ATOM 0 HB THR A 86 6.980 -11.417 2.452 1.00 0.00 H new ATOM 0 HG1 THR A 86 7.506 -11.594 0.176 1.00 0.00 H new ATOM 0 HG21 THR A 86 5.342 -10.744 0.735 1.00 0.00 H new ATOM 0 HG22 THR A 86 5.226 -9.725 2.190 1.00 0.00 H new ATOM 0 HG23 THR A 86 6.029 -9.103 0.729 1.00 0.00 H new ATOM 1287 N THR A 87 6.389 -7.950 3.744 1.00 0.00 N ATOM 1288 CA THR A 87 5.514 -7.455 4.800 1.00 0.00 C ATOM 1289 C THR A 87 4.072 -7.356 4.318 1.00 0.00 C ATOM 1290 O THR A 87 3.809 -7.341 3.115 1.00 0.00 O ATOM 1291 CB THR A 87 5.971 -6.074 5.306 1.00 0.00 C ATOM 1292 OG1 THR A 87 5.111 -5.631 6.362 1.00 0.00 O ATOM 1293 CG2 THR A 87 5.963 -5.054 4.177 1.00 0.00 C ATOM 0 H THR A 87 6.450 -7.342 2.927 1.00 0.00 H new ATOM 0 HA THR A 87 5.571 -8.171 5.620 1.00 0.00 H new ATOM 0 HB THR A 87 6.990 -6.168 5.682 1.00 0.00 H new ATOM 0 HG1 THR A 87 5.653 -5.345 7.127 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.289 -4.086 4.558 1.00 0.00 H new ATOM 0 HG22 THR A 87 6.640 -5.380 3.387 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.954 -4.964 3.775 1.00 0.00 H new ATOM 1301 N SER A 88 3.140 -7.287 5.263 1.00 0.00 N ATOM 1302 CA SER A 88 1.722 -7.192 4.934 1.00 0.00 C ATOM 1303 C SER A 88 1.003 -6.251 5.896 1.00 0.00 C ATOM 1304 O SER A 88 1.409 -6.094 7.047 1.00 0.00 O ATOM 1305 CB SER A 88 1.073 -8.577 4.976 1.00 0.00 C ATOM 1306 OG SER A 88 1.223 -9.171 6.254 1.00 0.00 O ATOM 0 H SER A 88 3.341 -7.295 6.263 1.00 0.00 H new ATOM 0 HA SER A 88 1.634 -6.788 3.925 1.00 0.00 H new ATOM 0 HB2 SER A 88 0.014 -8.494 4.732 1.00 0.00 H new ATOM 0 HB3 SER A 88 1.525 -9.217 4.218 1.00 0.00 H new ATOM 0 HG SER A 88 0.799 -10.054 6.256 1.00 0.00 H new ATOM 1312 N ALA A 89 -0.067 -5.628 5.414 1.00 0.00 N ATOM 1313 CA ALA A 89 -0.845 -4.704 6.231 1.00 0.00 C ATOM 1314 C ALA A 89 -2.337 -4.850 5.954 1.00 0.00 C ATOM 1315 O ALA A 89 -2.745 -5.595 5.062 1.00 0.00 O ATOM 1316 CB ALA A 89 -0.397 -3.272 5.979 1.00 0.00 C ATOM 0 H ALA A 89 -0.415 -5.746 4.463 1.00 0.00 H new ATOM 0 HA ALA A 89 -0.671 -4.949 7.279 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -0.986 -2.593 6.595 1.00 0.00 H new ATOM 0 HB2 ALA A 89 0.658 -3.171 6.234 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.542 -3.025 4.927 1.00 0.00 H new ATOM 1322 N THR A 90 -3.150 -4.135 6.726 1.00 0.00 N ATOM 1323 CA THR A 90 -4.598 -4.187 6.565 1.00 0.00 C ATOM 1324 C THR A 90 -5.205 -2.789 6.595 1.00 0.00 C ATOM 1325 O THR A 90 -4.671 -1.883 7.237 1.00 0.00 O ATOM 1326 CB THR A 90 -5.255 -5.043 7.665 1.00 0.00 C ATOM 1327 OG1 THR A 90 -4.565 -6.291 7.792 1.00 0.00 O ATOM 1328 CG2 THR A 90 -6.721 -5.298 7.348 1.00 0.00 C ATOM 0 H THR A 90 -2.830 -3.513 7.469 1.00 0.00 H new ATOM 0 HA THR A 90 -4.792 -4.644 5.595 1.00 0.00 H new ATOM 0 HB THR A 90 -5.193 -4.497 8.606 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.988 -6.829 8.494 1.00 0.00 H new ATOM 0 HG21 THR A 90 -7.164 -5.904 8.138 1.00 0.00 H new ATOM 0 HG22 THR A 90 -7.249 -4.347 7.281 1.00 0.00 H new ATOM 0 HG23 THR A 90 -6.801 -5.826 6.398 1.00 0.00 H new ATOM 1336 N LEU A 91 -6.323 -2.619 5.899 1.00 0.00 N ATOM 1337 CA LEU A 91 -7.003 -1.330 5.846 1.00 0.00 C ATOM 1338 C LEU A 91 -8.384 -1.416 6.490 1.00 0.00 C ATOM 1339 O LEU A 91 -9.127 -2.371 6.265 1.00 0.00 O ATOM 1340 CB LEU A 91 -7.133 -0.858 4.397 1.00 0.00 C ATOM 1341 CG LEU A 91 -7.808 0.499 4.190 1.00 0.00 C ATOM 1342 CD1 LEU A 91 -6.960 1.613 4.784 1.00 0.00 C ATOM 1343 CD2 LEU A 91 -8.060 0.749 2.711 1.00 0.00 C ATOM 0 H LEU A 91 -6.778 -3.358 5.363 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.406 -0.609 6.404 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.136 -0.816 3.959 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -7.694 -1.609 3.840 1.00 0.00 H new ATOM 0 HG LEU A 91 -8.769 0.488 4.705 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -7.456 2.571 4.627 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -6.831 1.442 5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -5.984 1.626 4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -8.541 1.719 2.583 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -7.112 0.740 2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -8.709 -0.033 2.315 1.00 0.00 H new ATOM 1355 N THR A 92 -8.721 -0.410 7.291 1.00 0.00 N ATOM 1356 CA THR A 92 -10.012 -0.371 7.966 1.00 0.00 C ATOM 1357 C THR A 92 -10.961 0.608 7.284 1.00 0.00 C ATOM 1358 O THR A 92 -10.747 1.820 7.316 1.00 0.00 O ATOM 1359 CB THR A 92 -9.860 0.027 9.447 1.00 0.00 C ATOM 1360 OG1 THR A 92 -8.923 -0.842 10.093 1.00 0.00 O ATOM 1361 CG2 THR A 92 -11.199 -0.038 10.165 1.00 0.00 C ATOM 0 H THR A 92 -8.118 0.388 7.488 1.00 0.00 H new ATOM 0 HA THR A 92 -10.429 -1.377 7.908 1.00 0.00 H new ATOM 0 HB THR A 92 -9.493 1.053 9.490 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.014 -0.504 9.953 1.00 0.00 H new ATOM 0 HG21 THR A 92 -11.066 0.247 11.209 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.901 0.646 9.688 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.591 -1.054 10.113 1.00 0.00 H new ATOM 1369 N VAL A 93 -12.010 0.075 6.666 1.00 0.00 N ATOM 1370 CA VAL A 93 -12.993 0.902 5.977 1.00 0.00 C ATOM 1371 C VAL A 93 -14.395 0.666 6.529 1.00 0.00 C ATOM 1372 O VAL A 93 -14.993 -0.387 6.306 1.00 0.00 O ATOM 1373 CB VAL A 93 -12.997 0.625 4.462 1.00 0.00 C ATOM 1374 CG1 VAL A 93 -13.999 1.526 3.757 1.00 0.00 C ATOM 1375 CG2 VAL A 93 -11.602 0.811 3.884 1.00 0.00 C ATOM 0 H VAL A 93 -12.201 -0.926 6.628 1.00 0.00 H new ATOM 0 HA VAL A 93 -12.708 1.940 6.149 1.00 0.00 H new ATOM 0 HB VAL A 93 -13.299 -0.410 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -13.988 1.316 2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -14.997 1.340 4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -13.731 2.569 3.925 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -11.622 0.611 2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -11.270 1.835 4.056 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -10.912 0.120 4.369 1.00 0.00 H new ATOM 1385 N THR A 94 -14.914 1.653 7.252 1.00 0.00 N ATOM 1386 CA THR A 94 -16.245 1.553 7.838 1.00 0.00 C ATOM 1387 C THR A 94 -17.306 2.094 6.886 1.00 0.00 C ATOM 1388 O THR A 94 -17.129 3.151 6.280 1.00 0.00 O ATOM 1389 CB THR A 94 -16.331 2.316 9.172 1.00 0.00 C ATOM 1390 OG1 THR A 94 -15.268 1.907 10.040 1.00 0.00 O ATOM 1391 CG2 THR A 94 -17.670 2.071 9.851 1.00 0.00 C ATOM 0 H THR A 94 -14.433 2.531 7.446 1.00 0.00 H new ATOM 0 HA THR A 94 -16.431 0.495 8.022 1.00 0.00 H new ATOM 0 HB THR A 94 -16.238 3.382 8.962 1.00 0.00 H new ATOM 0 HG1 THR A 94 -15.329 2.398 10.886 1.00 0.00 H new ATOM 0 HG21 THR A 94 -17.707 2.621 10.792 1.00 0.00 H new ATOM 0 HG22 THR A 94 -18.476 2.411 9.200 1.00 0.00 H new ATOM 0 HG23 THR A 94 -17.788 1.006 10.048 1.00 0.00 H new ATOM 1399 N ALA A 95 -18.410 1.365 6.761 1.00 0.00 N ATOM 1400 CA ALA A 95 -19.501 1.774 5.885 1.00 0.00 C ATOM 1401 C ALA A 95 -20.089 3.109 6.328 1.00 0.00 C ATOM 1402 O ALA A 95 -20.554 3.250 7.460 1.00 0.00 O ATOM 1403 CB ALA A 95 -20.582 0.704 5.854 1.00 0.00 C ATOM 0 H ALA A 95 -18.573 0.488 7.256 1.00 0.00 H new ATOM 0 HA ALA A 95 -19.099 1.899 4.879 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -21.391 1.023 5.196 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -20.159 -0.230 5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -20.972 0.551 6.860 1.00 0.00 H new ATOM 1409 N LEU A 96 -20.064 4.088 5.430 1.00 0.00 N ATOM 1410 CA LEU A 96 -20.594 5.414 5.729 1.00 0.00 C ATOM 1411 C LEU A 96 -21.886 5.315 6.534 1.00 0.00 C ATOM 1412 O LEU A 96 -22.625 4.334 6.450 1.00 0.00 O ATOM 1413 CB LEU A 96 -20.845 6.188 4.433 1.00 0.00 C ATOM 1414 CG LEU A 96 -19.660 6.984 3.887 1.00 0.00 C ATOM 1415 CD1 LEU A 96 -19.955 7.484 2.482 1.00 0.00 C ATOM 1416 CD2 LEU A 96 -19.328 8.148 4.810 1.00 0.00 C ATOM 0 H LEU A 96 -19.683 3.989 4.489 1.00 0.00 H new ATOM 0 HA LEU A 96 -19.855 5.948 6.327 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -21.166 5.481 3.668 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -21.674 6.876 4.599 1.00 0.00 H new ATOM 0 HG LEU A 96 -18.794 6.324 3.842 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -19.100 8.048 2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -20.143 6.634 1.825 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -20.834 8.128 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -18.482 8.703 4.405 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -20.192 8.808 4.888 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -19.072 7.767 5.799 1.00 0.00 H new ATOM 1428 N PRO A 97 -22.168 6.356 7.331 1.00 0.00 N ATOM 1429 CA PRO A 97 -23.372 6.411 8.165 1.00 0.00 C ATOM 1430 C PRO A 97 -24.643 6.576 7.337 1.00 0.00 C ATOM 1431 O PRO A 97 -25.740 6.687 7.883 1.00 0.00 O ATOM 1432 CB PRO A 97 -23.141 7.645 9.040 1.00 0.00 C ATOM 1433 CG PRO A 97 -22.214 8.503 8.250 1.00 0.00 C ATOM 1434 CD PRO A 97 -21.332 7.559 7.480 1.00 0.00 C ATOM 0 HA PRO A 97 -23.518 5.491 8.731 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -24.077 8.162 9.249 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -22.705 7.372 10.001 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -22.767 9.158 7.576 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -21.623 9.144 8.904 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -21.048 7.973 6.513 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.409 7.343 8.018 1.00 0.00 H new ATOM 1442 N SER A 98 -24.486 6.590 6.017 1.00 0.00 N ATOM 1443 CA SER A 98 -25.621 6.745 5.115 1.00 0.00 C ATOM 1444 C SER A 98 -26.861 6.057 5.678 1.00 0.00 C ATOM 1445 O SER A 98 -26.887 4.839 5.845 1.00 0.00 O ATOM 1446 CB SER A 98 -25.286 6.169 3.738 1.00 0.00 C ATOM 1447 OG SER A 98 -26.156 6.683 2.744 1.00 0.00 O ATOM 0 H SER A 98 -23.585 6.496 5.549 1.00 0.00 H new ATOM 0 HA SER A 98 -25.832 7.810 5.015 1.00 0.00 H new ATOM 0 HB2 SER A 98 -24.254 6.409 3.482 1.00 0.00 H new ATOM 0 HB3 SER A 98 -25.363 5.082 3.766 1.00 0.00 H new ATOM 0 HG SER A 98 -25.920 6.301 1.873 1.00 0.00 H new ATOM 1453 N GLY A 99 -27.888 6.850 5.970 1.00 0.00 N ATOM 1454 CA GLY A 99 -29.117 6.301 6.512 1.00 0.00 C ATOM 1455 C GLY A 99 -29.896 7.316 7.325 1.00 0.00 C ATOM 1456 O GLY A 99 -29.707 8.525 7.193 1.00 0.00 O ATOM 0 H GLY A 99 -27.891 7.862 5.841 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -29.741 5.939 5.695 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -28.882 5.441 7.139 1.00 0.00 H new ATOM 1460 N PRO A 100 -30.798 6.823 8.187 1.00 0.00 N ATOM 1461 CA PRO A 100 -31.628 7.679 9.040 1.00 0.00 C ATOM 1462 C PRO A 100 -30.817 8.370 10.131 1.00 0.00 C ATOM 1463 O PRO A 100 -30.342 7.726 11.066 1.00 0.00 O ATOM 1464 CB PRO A 100 -32.630 6.700 9.657 1.00 0.00 C ATOM 1465 CG PRO A 100 -31.938 5.381 9.628 1.00 0.00 C ATOM 1466 CD PRO A 100 -31.077 5.392 8.395 1.00 0.00 C ATOM 0 HA PRO A 100 -32.093 8.488 8.477 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -32.889 6.989 10.676 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -33.559 6.672 9.087 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -31.334 5.237 10.524 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -32.658 4.563 9.594 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -30.160 4.821 8.540 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -31.593 4.955 7.540 1.00 0.00 H new ATOM 1474 N SER A 101 -30.664 9.684 10.005 1.00 0.00 N ATOM 1475 CA SER A 101 -29.907 10.462 10.979 1.00 0.00 C ATOM 1476 C SER A 101 -30.709 11.673 11.448 1.00 0.00 C ATOM 1477 O SER A 101 -31.447 12.281 10.673 1.00 0.00 O ATOM 1478 CB SER A 101 -28.577 10.919 10.377 1.00 0.00 C ATOM 1479 OG SER A 101 -27.812 9.813 9.931 1.00 0.00 O ATOM 0 H SER A 101 -31.054 10.232 9.238 1.00 0.00 H new ATOM 0 HA SER A 101 -29.707 9.824 11.840 1.00 0.00 H new ATOM 0 HB2 SER A 101 -28.765 11.595 9.543 1.00 0.00 H new ATOM 0 HB3 SER A 101 -28.011 11.480 11.121 1.00 0.00 H new ATOM 0 HG SER A 101 -26.968 10.132 9.549 1.00 0.00 H new ATOM 1485 N SER A 102 -30.558 12.016 12.723 1.00 0.00 N ATOM 1486 CA SER A 102 -31.270 13.152 13.298 1.00 0.00 C ATOM 1487 C SER A 102 -30.453 14.432 13.160 1.00 0.00 C ATOM 1488 O SER A 102 -29.438 14.610 13.832 1.00 0.00 O ATOM 1489 CB SER A 102 -31.584 12.890 14.773 1.00 0.00 C ATOM 1490 OG SER A 102 -32.561 13.797 15.255 1.00 0.00 O ATOM 0 H SER A 102 -29.950 11.524 13.377 1.00 0.00 H new ATOM 0 HA SER A 102 -32.205 13.278 12.751 1.00 0.00 H new ATOM 0 HB2 SER A 102 -31.940 11.867 14.896 1.00 0.00 H new ATOM 0 HB3 SER A 102 -30.673 12.984 15.364 1.00 0.00 H new ATOM 0 HG SER A 102 -32.746 13.608 16.199 1.00 0.00 H new ATOM 1496 N GLY A 103 -30.904 15.323 12.282 1.00 0.00 N ATOM 1497 CA GLY A 103 -30.204 16.577 12.070 1.00 0.00 C ATOM 1498 C GLY A 103 -29.689 16.721 10.652 1.00 0.00 C ATOM 1499 O GLY A 103 -28.711 17.427 10.408 1.00 0.00 O ATOM 0 H GLY A 103 -31.742 15.199 11.714 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -30.874 17.406 12.296 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -29.368 16.645 12.766 1.00 0.00 H new TER 1503 GLY A 103