USER MOD reduce.3.24.130724 H: found=0, std=0, add=613, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 611 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 11 THR OG1 : rot 180:sc= -0.319 USER MOD Set 1.2: A 14 GLN : amide:sc= -1.27! C(o=-1.6!,f=-5.1!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0617 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 8 LYS NZ :NH3+ -147:sc= -0.177 (180deg=-1.53!) USER MOD Single : A 10 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.019) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= 0.319 (180deg=0.274) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.0753 K(o=-0.075,f=-1.5) USER MOD Single : A 25 CYS SG : rot 29:sc= 0.35 USER MOD Single : A 26 GLN : amide:sc= -0.464 X(o=-0.46,f=-0.57) USER MOD Single : A 33 TYR OH : rot 122:sc= 0.00389 USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 40 THR OG1 : rot -74:sc= 1.13 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 54 THR OG1 : rot 70:sc= 0.952 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -159:sc= -0.0364 (180deg=-0.279) USER MOD Single : A 60 HIS : no HD1:sc= -4.34 X(o=-4.3,f=-4.4!) USER MOD Single : A 62 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.58) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 0.496 K(o=0.5,f=-2.7!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 6:sc= 0.368 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.599 0.886 5.387 1.00 0.00 N ATOM 2 CA GLY A 1 34.287 0.156 4.172 1.00 0.00 C ATOM 3 C GLY A 1 33.124 -0.800 4.353 1.00 0.00 C ATOM 4 O GLY A 1 33.068 -1.542 5.333 1.00 0.00 O ATOM 0 H1 GLY A 1 35.400 1.526 5.212 1.00 0.00 H new ATOM 0 H2 GLY A 1 33.770 1.442 5.681 1.00 0.00 H new ATOM 0 H3 GLY A 1 34.850 0.215 6.140 1.00 0.00 H new ATOM 0 HA2 GLY A 1 34.052 0.863 3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 1 35.166 -0.403 3.851 1.00 0.00 H new ATOM 8 N SER A 2 32.192 -0.781 3.405 1.00 0.00 N ATOM 9 CA SER A 2 31.022 -1.648 3.467 1.00 0.00 C ATOM 10 C SER A 2 31.221 -2.892 2.606 1.00 0.00 C ATOM 11 O SER A 2 32.039 -2.899 1.686 1.00 0.00 O ATOM 12 CB SER A 2 29.774 -0.891 3.008 1.00 0.00 C ATOM 13 OG SER A 2 28.646 -1.747 2.962 1.00 0.00 O ATOM 0 H SER A 2 32.225 -0.175 2.585 1.00 0.00 H new ATOM 0 HA SER A 2 30.888 -1.961 4.502 1.00 0.00 H new ATOM 0 HB2 SER A 2 29.578 -0.062 3.688 1.00 0.00 H new ATOM 0 HB3 SER A 2 29.948 -0.461 2.022 1.00 0.00 H new ATOM 0 HG SER A 2 27.861 -1.239 2.668 1.00 0.00 H new ATOM 19 N SER A 3 30.467 -3.943 2.911 1.00 0.00 N ATOM 20 CA SER A 3 30.562 -5.194 2.169 1.00 0.00 C ATOM 21 C SER A 3 29.259 -5.490 1.433 1.00 0.00 C ATOM 22 O SER A 3 29.245 -5.651 0.213 1.00 0.00 O ATOM 23 CB SER A 3 30.900 -6.348 3.114 1.00 0.00 C ATOM 24 OG SER A 3 32.238 -6.257 3.573 1.00 0.00 O ATOM 0 H SER A 3 29.783 -3.953 3.668 1.00 0.00 H new ATOM 0 HA SER A 3 31.359 -5.091 1.433 1.00 0.00 H new ATOM 0 HB2 SER A 3 30.219 -6.337 3.965 1.00 0.00 H new ATOM 0 HB3 SER A 3 30.752 -7.298 2.600 1.00 0.00 H new ATOM 0 HG SER A 3 32.428 -7.005 4.177 1.00 0.00 H new ATOM 30 N GLY A 4 28.164 -5.560 2.184 1.00 0.00 N ATOM 31 CA GLY A 4 26.871 -5.836 1.587 1.00 0.00 C ATOM 32 C GLY A 4 26.580 -7.321 1.496 1.00 0.00 C ATOM 33 O GLY A 4 27.379 -8.085 0.955 1.00 0.00 O ATOM 0 H GLY A 4 28.150 -5.430 3.196 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.092 -5.351 2.175 1.00 0.00 H new ATOM 0 HA3 GLY A 4 26.835 -5.400 0.589 1.00 0.00 H new ATOM 37 N SER A 5 25.432 -7.731 2.027 1.00 0.00 N ATOM 38 CA SER A 5 25.040 -9.135 2.008 1.00 0.00 C ATOM 39 C SER A 5 23.963 -9.384 0.957 1.00 0.00 C ATOM 40 O SER A 5 23.325 -8.449 0.472 1.00 0.00 O ATOM 41 CB SER A 5 24.532 -9.564 3.386 1.00 0.00 C ATOM 42 OG SER A 5 23.212 -9.100 3.610 1.00 0.00 O ATOM 0 H SER A 5 24.758 -7.111 2.475 1.00 0.00 H new ATOM 0 HA SER A 5 25.918 -9.728 1.752 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.557 -10.651 3.464 1.00 0.00 H new ATOM 0 HB3 SER A 5 25.194 -9.174 4.159 1.00 0.00 H new ATOM 0 HG SER A 5 22.910 -9.389 4.496 1.00 0.00 H new ATOM 48 N SER A 6 23.766 -10.652 0.609 1.00 0.00 N ATOM 49 CA SER A 6 22.769 -11.025 -0.388 1.00 0.00 C ATOM 50 C SER A 6 21.406 -10.435 -0.040 1.00 0.00 C ATOM 51 O SER A 6 20.741 -10.885 0.892 1.00 0.00 O ATOM 52 CB SER A 6 22.666 -12.548 -0.492 1.00 0.00 C ATOM 53 OG SER A 6 23.862 -13.106 -1.009 1.00 0.00 O ATOM 0 H SER A 6 24.283 -11.438 1.003 1.00 0.00 H new ATOM 0 HA SER A 6 23.085 -10.623 -1.350 1.00 0.00 H new ATOM 0 HB2 SER A 6 22.460 -12.970 0.492 1.00 0.00 H new ATOM 0 HB3 SER A 6 21.828 -12.816 -1.136 1.00 0.00 H new ATOM 0 HG SER A 6 23.771 -14.080 -1.064 1.00 0.00 H new ATOM 59 N GLY A 7 20.996 -9.422 -0.798 1.00 0.00 N ATOM 60 CA GLY A 7 19.715 -8.785 -0.556 1.00 0.00 C ATOM 61 C GLY A 7 19.239 -7.970 -1.741 1.00 0.00 C ATOM 62 O GLY A 7 19.735 -6.870 -1.988 1.00 0.00 O ATOM 0 H GLY A 7 21.529 -9.031 -1.575 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.972 -9.548 -0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 7 19.794 -8.138 0.318 1.00 0.00 H new ATOM 66 N LYS A 8 18.275 -8.509 -2.480 1.00 0.00 N ATOM 67 CA LYS A 8 17.731 -7.826 -3.647 1.00 0.00 C ATOM 68 C LYS A 8 16.720 -6.762 -3.232 1.00 0.00 C ATOM 69 O LYS A 8 15.893 -6.988 -2.348 1.00 0.00 O ATOM 70 CB LYS A 8 17.070 -8.832 -4.591 1.00 0.00 C ATOM 71 CG LYS A 8 18.060 -9.735 -5.308 1.00 0.00 C ATOM 72 CD LYS A 8 17.408 -11.031 -5.758 1.00 0.00 C ATOM 73 CE LYS A 8 16.728 -10.873 -7.109 1.00 0.00 C ATOM 74 NZ LYS A 8 15.489 -10.053 -7.014 1.00 0.00 N ATOM 0 H LYS A 8 17.854 -9.419 -2.291 1.00 0.00 H new ATOM 0 HA LYS A 8 18.555 -7.337 -4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 8 16.375 -9.449 -4.022 1.00 0.00 H new ATOM 0 HB3 LYS A 8 16.482 -8.290 -5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 8 18.469 -9.213 -6.173 1.00 0.00 H new ATOM 0 HG3 LYS A 8 18.896 -9.958 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 8 18.161 -11.817 -5.818 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.675 -11.348 -5.016 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.419 -10.407 -7.811 1.00 0.00 H new ATOM 0 HE3 LYS A 8 16.483 -11.857 -7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 14.793 -10.393 -7.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 15.091 -10.135 -6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 15.716 -9.057 -7.211 1.00 0.00 H new ATOM 88 N ARG A 9 16.790 -5.602 -3.877 1.00 0.00 N ATOM 89 CA ARG A 9 15.880 -4.504 -3.575 1.00 0.00 C ATOM 90 C ARG A 9 14.730 -4.459 -4.578 1.00 0.00 C ATOM 91 O ARG A 9 14.865 -4.911 -5.715 1.00 0.00 O ATOM 92 CB ARG A 9 16.632 -3.172 -3.587 1.00 0.00 C ATOM 93 CG ARG A 9 15.848 -2.024 -2.972 1.00 0.00 C ATOM 94 CD ARG A 9 15.757 -2.158 -1.460 1.00 0.00 C ATOM 95 NE ARG A 9 17.035 -1.883 -0.808 1.00 0.00 N ATOM 96 CZ ARG A 9 17.508 -0.659 -0.604 1.00 0.00 C ATOM 97 NH1 ARG A 9 16.812 0.399 -0.999 1.00 0.00 N ATOM 98 NH2 ARG A 9 18.679 -0.490 -0.004 1.00 0.00 N ATOM 0 H ARG A 9 17.467 -5.398 -4.612 1.00 0.00 H new ATOM 0 HA ARG A 9 15.467 -4.672 -2.581 1.00 0.00 H new ATOM 0 HB2 ARG A 9 17.571 -3.290 -3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 9 16.886 -2.917 -4.616 1.00 0.00 H new ATOM 0 HG2 ARG A 9 16.326 -1.078 -3.226 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.845 -1.998 -3.397 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.001 -1.471 -1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.429 -3.166 -1.204 1.00 0.00 H new ATOM 0 HE ARG A 9 17.595 -2.675 -0.492 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.911 0.273 -1.461 1.00 0.00 H new ATOM 0 HH12 ARG A 9 17.178 1.338 -0.841 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.217 -1.301 0.301 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.041 0.451 0.152 1.00 0.00 H new ATOM 112 N LYS A 10 13.598 -3.910 -4.148 1.00 0.00 N ATOM 113 CA LYS A 10 12.425 -3.805 -5.006 1.00 0.00 C ATOM 114 C LYS A 10 12.689 -2.863 -6.177 1.00 0.00 C ATOM 115 O LYS A 10 13.604 -2.040 -6.131 1.00 0.00 O ATOM 116 CB LYS A 10 11.221 -3.310 -4.201 1.00 0.00 C ATOM 117 CG LYS A 10 10.802 -4.256 -3.090 1.00 0.00 C ATOM 118 CD LYS A 10 10.011 -3.535 -2.012 1.00 0.00 C ATOM 119 CE LYS A 10 9.505 -4.501 -0.951 1.00 0.00 C ATOM 120 NZ LYS A 10 10.617 -5.058 -0.132 1.00 0.00 N ATOM 0 H LYS A 10 13.469 -3.531 -3.210 1.00 0.00 H new ATOM 0 HA LYS A 10 12.207 -4.797 -5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 10 11.458 -2.338 -3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 10 10.379 -3.161 -4.877 1.00 0.00 H new ATOM 0 HG2 LYS A 10 10.199 -5.063 -3.506 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.687 -4.714 -2.648 1.00 0.00 H new ATOM 0 HD2 LYS A 10 10.639 -2.776 -1.545 1.00 0.00 H new ATOM 0 HD3 LYS A 10 9.167 -3.016 -2.465 1.00 0.00 H new ATOM 0 HE2 LYS A 10 8.797 -3.988 -0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.964 -5.316 -1.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 10.225 -5.645 0.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 11.234 -5.640 -0.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 11.170 -4.279 0.279 1.00 0.00 H new ATOM 134 N THR A 11 11.881 -2.987 -7.225 1.00 0.00 N ATOM 135 CA THR A 11 12.027 -2.147 -8.407 1.00 0.00 C ATOM 136 C THR A 11 10.850 -1.189 -8.549 1.00 0.00 C ATOM 137 O THR A 11 9.709 -1.543 -8.255 1.00 0.00 O ATOM 138 CB THR A 11 12.143 -2.995 -9.688 1.00 0.00 C ATOM 139 OG1 THR A 11 10.907 -3.672 -9.940 1.00 0.00 O ATOM 140 CG2 THR A 11 13.268 -4.011 -9.565 1.00 0.00 C ATOM 0 H THR A 11 11.118 -3.662 -7.279 1.00 0.00 H new ATOM 0 HA THR A 11 12.945 -1.573 -8.276 1.00 0.00 H new ATOM 0 HB THR A 11 12.368 -2.328 -10.520 1.00 0.00 H new ATOM 0 HG1 THR A 11 10.988 -4.208 -10.757 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.330 -4.598 -10.482 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.212 -3.491 -9.402 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.069 -4.674 -8.723 1.00 0.00 H new ATOM 148 N LYS A 12 11.135 0.027 -9.004 1.00 0.00 N ATOM 149 CA LYS A 12 10.100 1.037 -9.188 1.00 0.00 C ATOM 150 C LYS A 12 8.807 0.406 -9.695 1.00 0.00 C ATOM 151 O LYS A 12 7.716 0.776 -9.265 1.00 0.00 O ATOM 152 CB LYS A 12 10.575 2.111 -10.170 1.00 0.00 C ATOM 153 CG LYS A 12 9.657 3.318 -10.242 1.00 0.00 C ATOM 154 CD LYS A 12 9.836 4.228 -9.039 1.00 0.00 C ATOM 155 CE LYS A 12 8.547 4.960 -8.696 1.00 0.00 C ATOM 156 NZ LYS A 12 8.231 6.021 -9.692 1.00 0.00 N ATOM 0 H LYS A 12 12.075 0.337 -9.252 1.00 0.00 H new ATOM 0 HA LYS A 12 9.903 1.499 -8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.573 2.441 -9.880 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.661 1.671 -11.163 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.861 3.877 -11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.621 2.985 -10.296 1.00 0.00 H new ATOM 0 HD2 LYS A 12 10.160 3.639 -8.181 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.624 4.953 -9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.724 4.246 -8.652 1.00 0.00 H new ATOM 0 HE3 LYS A 12 8.635 5.406 -7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.346 6.497 -9.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.004 6.716 -9.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.122 5.592 -10.633 1.00 0.00 H new ATOM 170 N GLU A 13 8.940 -0.549 -10.611 1.00 0.00 N ATOM 171 CA GLU A 13 7.782 -1.232 -11.175 1.00 0.00 C ATOM 172 C GLU A 13 7.032 -2.012 -10.098 1.00 0.00 C ATOM 173 O GLU A 13 5.868 -1.732 -9.813 1.00 0.00 O ATOM 174 CB GLU A 13 8.215 -2.178 -12.297 1.00 0.00 C ATOM 175 CG GLU A 13 8.285 -1.512 -13.661 1.00 0.00 C ATOM 176 CD GLU A 13 9.004 -2.364 -14.689 1.00 0.00 C ATOM 177 OE1 GLU A 13 10.097 -2.878 -14.373 1.00 0.00 O ATOM 178 OE2 GLU A 13 8.474 -2.516 -15.809 1.00 0.00 O ATOM 0 H GLU A 13 9.837 -0.867 -10.978 1.00 0.00 H new ATOM 0 HA GLU A 13 7.112 -0.477 -11.585 1.00 0.00 H new ATOM 0 HB2 GLU A 13 9.193 -2.593 -12.054 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.517 -3.014 -12.346 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.274 -1.302 -14.011 1.00 0.00 H new ATOM 0 HG3 GLU A 13 8.796 -0.553 -13.568 1.00 0.00 H new ATOM 185 N GLN A 14 7.708 -2.990 -9.506 1.00 0.00 N ATOM 186 CA GLN A 14 7.106 -3.811 -8.462 1.00 0.00 C ATOM 187 C GLN A 14 6.444 -2.941 -7.399 1.00 0.00 C ATOM 188 O GLN A 14 5.256 -3.092 -7.110 1.00 0.00 O ATOM 189 CB GLN A 14 8.163 -4.709 -7.817 1.00 0.00 C ATOM 190 CG GLN A 14 8.785 -5.707 -8.780 1.00 0.00 C ATOM 191 CD GLN A 14 9.972 -6.435 -8.181 1.00 0.00 C ATOM 192 OE1 GLN A 14 10.942 -5.813 -7.748 1.00 0.00 O ATOM 193 NE2 GLN A 14 9.901 -7.761 -8.154 1.00 0.00 N ATOM 0 H GLN A 14 8.673 -3.234 -9.731 1.00 0.00 H new ATOM 0 HA GLN A 14 6.341 -4.436 -8.922 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.951 -4.084 -7.396 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.709 -5.252 -6.988 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.031 -6.435 -9.080 1.00 0.00 H new ATOM 0 HG3 GLN A 14 9.102 -5.185 -9.683 1.00 0.00 H new ATOM 0 HE21 GLN A 14 9.077 -8.235 -8.524 1.00 0.00 H new ATOM 0 HE22 GLN A 14 10.670 -8.305 -7.763 1.00 0.00 H new ATOM 202 N LEU A 15 7.218 -2.030 -6.820 1.00 0.00 N ATOM 203 CA LEU A 15 6.706 -1.135 -5.788 1.00 0.00 C ATOM 204 C LEU A 15 5.445 -0.421 -6.263 1.00 0.00 C ATOM 205 O LEU A 15 4.507 -0.220 -5.494 1.00 0.00 O ATOM 206 CB LEU A 15 7.773 -0.109 -5.401 1.00 0.00 C ATOM 207 CG LEU A 15 8.711 -0.512 -4.264 1.00 0.00 C ATOM 208 CD1 LEU A 15 9.660 0.628 -3.925 1.00 0.00 C ATOM 209 CD2 LEU A 15 7.913 -0.927 -3.036 1.00 0.00 C ATOM 0 H LEU A 15 8.203 -1.891 -7.048 1.00 0.00 H new ATOM 0 HA LEU A 15 6.453 -1.735 -4.914 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.376 0.108 -6.283 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.272 0.818 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 15 9.304 -1.365 -4.593 1.00 0.00 H new ATOM 0 HD11 LEU A 15 10.320 0.323 -3.113 1.00 0.00 H new ATOM 0 HD12 LEU A 15 10.256 0.879 -4.803 1.00 0.00 H new ATOM 0 HD13 LEU A 15 9.085 1.501 -3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.597 -1.211 -2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.294 -0.093 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.275 -1.775 -3.286 1.00 0.00 H new ATOM 221 N ALA A 16 5.430 -0.042 -7.537 1.00 0.00 N ATOM 222 CA ALA A 16 4.283 0.646 -8.116 1.00 0.00 C ATOM 223 C ALA A 16 2.992 -0.119 -7.848 1.00 0.00 C ATOM 224 O ALA A 16 1.975 0.470 -7.480 1.00 0.00 O ATOM 225 CB ALA A 16 4.483 0.839 -9.612 1.00 0.00 C ATOM 0 H ALA A 16 6.200 -0.200 -8.188 1.00 0.00 H new ATOM 0 HA ALA A 16 4.200 1.624 -7.642 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.619 1.354 -10.031 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.379 1.434 -9.785 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.594 -0.133 -10.093 1.00 0.00 H new ATOM 231 N ILE A 17 3.039 -1.434 -8.035 1.00 0.00 N ATOM 232 CA ILE A 17 1.872 -2.279 -7.812 1.00 0.00 C ATOM 233 C ILE A 17 1.468 -2.282 -6.342 1.00 0.00 C ATOM 234 O ILE A 17 0.290 -2.426 -6.011 1.00 0.00 O ATOM 235 CB ILE A 17 2.132 -3.728 -8.265 1.00 0.00 C ATOM 236 CG1 ILE A 17 2.322 -3.786 -9.782 1.00 0.00 C ATOM 237 CG2 ILE A 17 0.985 -4.631 -7.834 1.00 0.00 C ATOM 238 CD1 ILE A 17 3.207 -4.924 -10.237 1.00 0.00 C ATOM 0 H ILE A 17 3.872 -1.937 -8.340 1.00 0.00 H new ATOM 0 HA ILE A 17 1.061 -1.861 -8.408 1.00 0.00 H new ATOM 0 HB ILE A 17 3.047 -4.083 -7.790 1.00 0.00 H new ATOM 0 HG12 ILE A 17 1.347 -3.882 -10.259 1.00 0.00 H new ATOM 0 HG13 ILE A 17 2.752 -2.844 -10.122 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.183 -5.652 -8.161 1.00 0.00 H new ATOM 0 HG22 ILE A 17 0.893 -4.609 -6.748 1.00 0.00 H new ATOM 0 HG23 ILE A 17 0.056 -4.279 -8.284 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.297 -4.903 -11.323 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.195 -4.818 -9.789 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.768 -5.872 -9.927 1.00 0.00 H new ATOM 250 N LEU A 18 2.451 -2.120 -5.464 1.00 0.00 N ATOM 251 CA LEU A 18 2.198 -2.102 -4.027 1.00 0.00 C ATOM 252 C LEU A 18 1.592 -0.770 -3.597 1.00 0.00 C ATOM 253 O LEU A 18 0.507 -0.727 -3.017 1.00 0.00 O ATOM 254 CB LEU A 18 3.496 -2.357 -3.258 1.00 0.00 C ATOM 255 CG LEU A 18 3.816 -3.820 -2.947 1.00 0.00 C ATOM 256 CD1 LEU A 18 5.233 -3.954 -2.411 1.00 0.00 C ATOM 257 CD2 LEU A 18 2.812 -4.386 -1.954 1.00 0.00 C ATOM 0 H LEU A 18 3.431 -1.999 -5.721 1.00 0.00 H new ATOM 0 HA LEU A 18 1.485 -2.894 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.323 -1.939 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.451 -1.808 -2.317 1.00 0.00 H new ATOM 0 HG LEU A 18 3.744 -4.392 -3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.443 -5.002 -2.195 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.940 -3.588 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.333 -3.368 -1.497 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.055 -5.428 -1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.851 -3.811 -1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.809 -4.325 -2.376 1.00 0.00 H new ATOM 269 N LYS A 19 2.300 0.317 -3.888 1.00 0.00 N ATOM 270 CA LYS A 19 1.831 1.652 -3.536 1.00 0.00 C ATOM 271 C LYS A 19 0.326 1.775 -3.751 1.00 0.00 C ATOM 272 O LYS A 19 -0.382 2.362 -2.933 1.00 0.00 O ATOM 273 CB LYS A 19 2.564 2.708 -4.367 1.00 0.00 C ATOM 274 CG LYS A 19 4.033 2.852 -4.008 1.00 0.00 C ATOM 275 CD LYS A 19 4.632 4.113 -4.609 1.00 0.00 C ATOM 276 CE LYS A 19 6.111 4.240 -4.276 1.00 0.00 C ATOM 277 NZ LYS A 19 6.665 5.553 -4.708 1.00 0.00 N ATOM 0 H LYS A 19 3.201 0.299 -4.367 1.00 0.00 H new ATOM 0 HA LYS A 19 2.044 1.818 -2.480 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.480 2.450 -5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 19 2.070 3.670 -4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.143 2.877 -2.924 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.583 1.981 -4.364 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.501 4.099 -5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.097 4.986 -4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.253 4.121 -3.202 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.663 3.435 -4.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.702 5.533 -4.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 6.389 5.739 -5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.291 6.306 -4.096 1.00 0.00 H new ATOM 291 N SER A 20 -0.157 1.216 -4.856 1.00 0.00 N ATOM 292 CA SER A 20 -1.578 1.265 -5.180 1.00 0.00 C ATOM 293 C SER A 20 -2.387 0.415 -4.205 1.00 0.00 C ATOM 294 O SER A 20 -3.487 0.792 -3.800 1.00 0.00 O ATOM 295 CB SER A 20 -1.813 0.782 -6.612 1.00 0.00 C ATOM 296 OG SER A 20 -3.197 0.729 -6.911 1.00 0.00 O ATOM 0 H SER A 20 0.415 0.724 -5.542 1.00 0.00 H new ATOM 0 HA SER A 20 -1.910 2.300 -5.094 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.312 1.451 -7.312 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.371 -0.206 -6.743 1.00 0.00 H new ATOM 0 HG SER A 20 -3.321 0.419 -7.832 1.00 0.00 H new ATOM 302 N PHE A 21 -1.833 -0.734 -3.832 1.00 0.00 N ATOM 303 CA PHE A 21 -2.503 -1.640 -2.906 1.00 0.00 C ATOM 304 C PHE A 21 -2.582 -1.029 -1.510 1.00 0.00 C ATOM 305 O PHE A 21 -3.648 -0.997 -0.893 1.00 0.00 O ATOM 306 CB PHE A 21 -1.766 -2.980 -2.847 1.00 0.00 C ATOM 307 CG PHE A 21 -2.644 -4.129 -2.442 1.00 0.00 C ATOM 308 CD1 PHE A 21 -2.899 -4.386 -1.104 1.00 0.00 C ATOM 309 CD2 PHE A 21 -3.213 -4.954 -3.399 1.00 0.00 C ATOM 310 CE1 PHE A 21 -3.706 -5.443 -0.728 1.00 0.00 C ATOM 311 CE2 PHE A 21 -4.022 -6.012 -3.029 1.00 0.00 C ATOM 312 CZ PHE A 21 -4.268 -6.257 -1.692 1.00 0.00 C ATOM 0 H PHE A 21 -0.922 -1.060 -4.156 1.00 0.00 H new ATOM 0 HA PHE A 21 -3.517 -1.807 -3.269 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -1.333 -3.191 -3.825 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -0.938 -2.900 -2.142 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.462 -3.753 -0.346 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -3.022 -4.768 -4.446 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.897 -5.632 0.318 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -4.461 -6.646 -3.785 1.00 0.00 H new ATOM 0 HZ PHE A 21 -4.899 -7.084 -1.401 1.00 0.00 H new ATOM 322 N PHE A 22 -1.447 -0.544 -1.017 1.00 0.00 N ATOM 323 CA PHE A 22 -1.387 0.065 0.307 1.00 0.00 C ATOM 324 C PHE A 22 -2.496 1.099 0.481 1.00 0.00 C ATOM 325 O PHE A 22 -3.242 1.067 1.460 1.00 0.00 O ATOM 326 CB PHE A 22 -0.023 0.722 0.527 1.00 0.00 C ATOM 327 CG PHE A 22 0.146 1.307 1.900 1.00 0.00 C ATOM 328 CD1 PHE A 22 0.207 0.485 3.015 1.00 0.00 C ATOM 329 CD2 PHE A 22 0.244 2.677 2.077 1.00 0.00 C ATOM 330 CE1 PHE A 22 0.361 1.021 4.279 1.00 0.00 C ATOM 331 CE2 PHE A 22 0.399 3.219 3.339 1.00 0.00 C ATOM 332 CZ PHE A 22 0.458 2.389 4.442 1.00 0.00 C ATOM 0 H PHE A 22 -0.557 -0.561 -1.514 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.528 -0.721 1.048 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.759 -0.018 0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.116 1.509 -0.214 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.133 -0.586 2.894 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.199 3.330 1.218 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.406 0.370 5.140 1.00 0.00 H new ATOM 0 HE2 PHE A 22 0.474 4.289 3.463 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.580 2.809 5.429 1.00 0.00 H new ATOM 342 N LEU A 23 -2.598 2.015 -0.476 1.00 0.00 N ATOM 343 CA LEU A 23 -3.615 3.060 -0.430 1.00 0.00 C ATOM 344 C LEU A 23 -4.998 2.463 -0.193 1.00 0.00 C ATOM 345 O LEU A 23 -5.701 2.853 0.739 1.00 0.00 O ATOM 346 CB LEU A 23 -3.609 3.862 -1.732 1.00 0.00 C ATOM 347 CG LEU A 23 -2.275 4.498 -2.123 1.00 0.00 C ATOM 348 CD1 LEU A 23 -2.153 4.594 -3.636 1.00 0.00 C ATOM 349 CD2 LEU A 23 -2.131 5.872 -1.486 1.00 0.00 C ATOM 0 H LEU A 23 -1.989 2.055 -1.293 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.380 3.726 0.400 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.926 3.205 -2.542 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.356 4.652 -1.652 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.470 3.863 -1.753 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.197 5.049 -3.896 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.209 3.596 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.965 5.206 -4.028 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.175 6.309 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.942 6.517 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.172 5.776 -0.401 1.00 0.00 H new ATOM 361 N GLN A 24 -5.380 1.513 -1.040 1.00 0.00 N ATOM 362 CA GLN A 24 -6.679 0.861 -0.922 1.00 0.00 C ATOM 363 C GLN A 24 -6.826 0.185 0.437 1.00 0.00 C ATOM 364 O GLN A 24 -7.911 0.171 1.020 1.00 0.00 O ATOM 365 CB GLN A 24 -6.862 -0.167 -2.039 1.00 0.00 C ATOM 366 CG GLN A 24 -6.754 0.426 -3.435 1.00 0.00 C ATOM 367 CD GLN A 24 -7.872 1.403 -3.742 1.00 0.00 C ATOM 368 OE1 GLN A 24 -8.890 1.437 -3.050 1.00 0.00 O ATOM 369 NE2 GLN A 24 -7.687 2.205 -4.784 1.00 0.00 N ATOM 0 H GLN A 24 -4.809 1.178 -1.815 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.451 1.625 -1.013 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -6.112 -0.950 -1.927 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -7.837 -0.641 -1.929 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.795 0.934 -3.537 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.768 -0.379 -4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -6.827 2.142 -5.330 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.404 2.884 -5.039 1.00 0.00 H new ATOM 378 N CYS A 25 -5.730 -0.376 0.935 1.00 0.00 N ATOM 379 CA CYS A 25 -5.737 -1.056 2.226 1.00 0.00 C ATOM 380 C CYS A 25 -4.343 -1.065 2.843 1.00 0.00 C ATOM 381 O CYS A 25 -3.407 -1.628 2.277 1.00 0.00 O ATOM 382 CB CYS A 25 -6.247 -2.489 2.067 1.00 0.00 C ATOM 383 SG CYS A 25 -8.038 -2.660 2.251 1.00 0.00 S ATOM 0 H CYS A 25 -4.825 -0.374 0.465 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.406 -0.512 2.893 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.957 -2.860 1.084 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -5.755 -3.122 2.805 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.619 -1.557 1.883 1.00 0.00 H new ATOM 389 N GLN A 26 -4.213 -0.435 4.007 1.00 0.00 N ATOM 390 CA GLN A 26 -2.931 -0.369 4.700 1.00 0.00 C ATOM 391 C GLN A 26 -2.470 -1.759 5.126 1.00 0.00 C ATOM 392 O GLN A 26 -1.272 -2.020 5.231 1.00 0.00 O ATOM 393 CB GLN A 26 -3.036 0.544 5.923 1.00 0.00 C ATOM 394 CG GLN A 26 -3.171 2.017 5.572 1.00 0.00 C ATOM 395 CD GLN A 26 -4.595 2.406 5.227 1.00 0.00 C ATOM 396 OE1 GLN A 26 -5.452 2.514 6.105 1.00 0.00 O ATOM 397 NE2 GLN A 26 -4.856 2.620 3.943 1.00 0.00 N ATOM 0 H GLN A 26 -4.978 0.036 4.489 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.194 0.042 4.010 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -3.896 0.241 6.520 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -2.152 0.407 6.546 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.827 2.620 6.412 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.521 2.247 4.728 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -4.116 2.519 3.248 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -5.797 2.885 3.651 1.00 0.00 H new ATOM 406 N TRP A 27 -3.429 -2.645 5.370 1.00 0.00 N ATOM 407 CA TRP A 27 -3.121 -4.009 5.785 1.00 0.00 C ATOM 408 C TRP A 27 -3.785 -5.023 4.861 1.00 0.00 C ATOM 409 O TRP A 27 -4.993 -4.969 4.631 1.00 0.00 O ATOM 410 CB TRP A 27 -3.575 -4.240 7.227 1.00 0.00 C ATOM 411 CG TRP A 27 -3.148 -3.152 8.166 1.00 0.00 C ATOM 412 CD1 TRP A 27 -3.590 -1.860 8.179 1.00 0.00 C ATOM 413 CD2 TRP A 27 -2.194 -3.263 9.227 1.00 0.00 C ATOM 414 NE1 TRP A 27 -2.968 -1.160 9.184 1.00 0.00 N ATOM 415 CE2 TRP A 27 -2.107 -1.998 9.843 1.00 0.00 C ATOM 416 CE3 TRP A 27 -1.405 -4.306 9.719 1.00 0.00 C ATOM 417 CZ2 TRP A 27 -1.262 -1.753 10.922 1.00 0.00 C ATOM 418 CZ3 TRP A 27 -0.567 -4.061 10.790 1.00 0.00 C ATOM 419 CH2 TRP A 27 -0.502 -2.793 11.383 1.00 0.00 C ATOM 0 H TRP A 27 -4.426 -2.444 5.288 1.00 0.00 H new ATOM 0 HA TRP A 27 -2.041 -4.145 5.725 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -4.662 -4.324 7.249 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -3.175 -5.191 7.578 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -4.321 -1.449 7.499 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -3.122 -0.176 9.404 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -1.449 -5.287 9.270 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -1.208 -0.776 11.379 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 0.048 -4.860 11.177 1.00 0.00 H new ATOM 0 HH2 TRP A 27 0.161 -2.634 12.220 1.00 0.00 H new ATOM 430 N ALA A 28 -2.989 -5.947 4.333 1.00 0.00 N ATOM 431 CA ALA A 28 -3.502 -6.974 3.435 1.00 0.00 C ATOM 432 C ALA A 28 -3.525 -8.338 4.117 1.00 0.00 C ATOM 433 O ALA A 28 -2.748 -8.595 5.038 1.00 0.00 O ATOM 434 CB ALA A 28 -2.665 -7.031 2.165 1.00 0.00 C ATOM 0 H ALA A 28 -1.986 -6.005 4.512 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.526 -6.712 3.171 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.059 -7.802 1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.704 -6.066 1.660 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.632 -7.266 2.420 1.00 0.00 H new ATOM 440 N ARG A 29 -4.420 -9.208 3.661 1.00 0.00 N ATOM 441 CA ARG A 29 -4.544 -10.545 4.229 1.00 0.00 C ATOM 442 C ARG A 29 -3.830 -11.574 3.359 1.00 0.00 C ATOM 443 O ARG A 29 -3.427 -11.278 2.234 1.00 0.00 O ATOM 444 CB ARG A 29 -6.019 -10.923 4.379 1.00 0.00 C ATOM 445 CG ARG A 29 -6.739 -10.149 5.472 1.00 0.00 C ATOM 446 CD ARG A 29 -6.617 -10.844 6.819 1.00 0.00 C ATOM 447 NE ARG A 29 -7.443 -10.207 7.840 1.00 0.00 N ATOM 448 CZ ARG A 29 -7.259 -10.376 9.145 1.00 0.00 C ATOM 449 NH1 ARG A 29 -6.283 -11.157 9.585 1.00 0.00 N ATOM 450 NH2 ARG A 29 -8.053 -9.762 10.013 1.00 0.00 N ATOM 0 H ARG A 29 -5.070 -9.011 2.900 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.075 -10.540 5.213 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -6.527 -10.752 3.430 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.092 -11.989 4.593 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -6.324 -9.144 5.541 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -7.792 -10.042 5.211 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -6.910 -11.889 6.716 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.575 -10.835 7.138 1.00 0.00 H new ATOM 0 HE ARG A 29 -8.203 -9.599 7.535 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.670 -11.631 8.921 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.145 -11.285 10.587 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.805 -9.160 9.679 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.911 -9.892 11.015 1.00 0.00 H new ATOM 464 N ARG A 30 -3.676 -12.784 3.888 1.00 0.00 N ATOM 465 CA ARG A 30 -3.009 -13.857 3.160 1.00 0.00 C ATOM 466 C ARG A 30 -3.671 -14.088 1.805 1.00 0.00 C ATOM 467 O ARG A 30 -3.005 -14.433 0.829 1.00 0.00 O ATOM 468 CB ARG A 30 -3.033 -15.149 3.979 1.00 0.00 C ATOM 469 CG ARG A 30 -4.433 -15.604 4.357 1.00 0.00 C ATOM 470 CD ARG A 30 -4.395 -16.765 5.338 1.00 0.00 C ATOM 471 NE ARG A 30 -5.641 -17.528 5.332 1.00 0.00 N ATOM 472 CZ ARG A 30 -6.049 -18.260 4.302 1.00 0.00 C ATOM 473 NH1 ARG A 30 -5.314 -18.330 3.201 1.00 0.00 N ATOM 474 NH2 ARG A 30 -7.195 -18.926 4.373 1.00 0.00 N ATOM 0 H ARG A 30 -4.004 -13.045 4.818 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.974 -13.560 2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.545 -15.940 3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.449 -15.004 4.888 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.981 -14.771 4.798 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -4.975 -15.902 3.459 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.565 -17.425 5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -4.207 -16.385 6.342 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.230 -17.497 6.164 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.432 -17.821 3.143 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -5.630 -18.893 2.412 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.763 -18.876 5.219 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.508 -19.488 3.582 1.00 0.00 H new ATOM 488 N GLU A 31 -4.986 -13.897 1.754 1.00 0.00 N ATOM 489 CA GLU A 31 -5.737 -14.086 0.518 1.00 0.00 C ATOM 490 C GLU A 31 -5.337 -13.049 -0.527 1.00 0.00 C ATOM 491 O GLU A 31 -5.452 -13.286 -1.729 1.00 0.00 O ATOM 492 CB GLU A 31 -7.240 -13.998 0.791 1.00 0.00 C ATOM 493 CG GLU A 31 -7.733 -15.003 1.818 1.00 0.00 C ATOM 494 CD GLU A 31 -9.202 -15.339 1.648 1.00 0.00 C ATOM 495 OE1 GLU A 31 -9.979 -14.433 1.279 1.00 0.00 O ATOM 496 OE2 GLU A 31 -9.574 -16.507 1.884 1.00 0.00 O ATOM 0 H GLU A 31 -5.552 -13.612 2.553 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.503 -15.077 0.128 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -7.480 -12.992 1.136 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.780 -14.152 -0.143 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -7.144 -15.917 1.739 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.569 -14.604 2.819 1.00 0.00 H new ATOM 503 N ASP A 32 -4.866 -11.898 -0.059 1.00 0.00 N ATOM 504 CA ASP A 32 -4.448 -10.823 -0.952 1.00 0.00 C ATOM 505 C ASP A 32 -2.964 -10.942 -1.287 1.00 0.00 C ATOM 506 O ASP A 32 -2.564 -10.785 -2.441 1.00 0.00 O ATOM 507 CB ASP A 32 -4.732 -9.462 -0.315 1.00 0.00 C ATOM 508 CG ASP A 32 -6.136 -8.969 -0.603 1.00 0.00 C ATOM 509 OD1 ASP A 32 -6.419 -8.634 -1.773 1.00 0.00 O ATOM 510 OD2 ASP A 32 -6.953 -8.920 0.340 1.00 0.00 O ATOM 0 H ASP A 32 -4.764 -11.685 0.933 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.019 -10.909 -1.876 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -4.589 -9.532 0.763 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -4.011 -8.733 -0.686 1.00 0.00 H new ATOM 515 N TYR A 33 -2.154 -11.219 -0.272 1.00 0.00 N ATOM 516 CA TYR A 33 -0.714 -11.355 -0.458 1.00 0.00 C ATOM 517 C TYR A 33 -0.402 -12.298 -1.617 1.00 0.00 C ATOM 518 O TYR A 33 0.374 -11.962 -2.511 1.00 0.00 O ATOM 519 CB TYR A 33 -0.059 -11.871 0.824 1.00 0.00 C ATOM 520 CG TYR A 33 0.049 -10.826 1.912 1.00 0.00 C ATOM 521 CD1 TYR A 33 0.526 -9.551 1.632 1.00 0.00 C ATOM 522 CD2 TYR A 33 -0.325 -11.113 3.218 1.00 0.00 C ATOM 523 CE1 TYR A 33 0.627 -8.593 2.622 1.00 0.00 C ATOM 524 CE2 TYR A 33 -0.229 -10.160 4.214 1.00 0.00 C ATOM 525 CZ TYR A 33 0.248 -8.902 3.911 1.00 0.00 C ATOM 526 OH TYR A 33 0.347 -7.951 4.901 1.00 0.00 O ATOM 0 H TYR A 33 -2.470 -11.354 0.688 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.309 -10.371 -0.694 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -0.634 -12.717 1.200 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.938 -12.243 0.588 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.823 -9.305 0.623 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.697 -12.098 3.459 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.001 -7.607 2.388 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.526 -10.399 5.224 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.533 -7.810 5.309 1.00 0.00 H new ATOM 536 N GLN A 34 -1.013 -13.478 -1.592 1.00 0.00 N ATOM 537 CA GLN A 34 -0.800 -14.470 -2.640 1.00 0.00 C ATOM 538 C GLN A 34 -0.920 -13.836 -4.022 1.00 0.00 C ATOM 539 O GLN A 34 -0.251 -14.252 -4.968 1.00 0.00 O ATOM 540 CB GLN A 34 -1.806 -15.613 -2.500 1.00 0.00 C ATOM 541 CG GLN A 34 -3.238 -15.204 -2.804 1.00 0.00 C ATOM 542 CD GLN A 34 -4.182 -16.388 -2.873 1.00 0.00 C ATOM 543 OE1 GLN A 34 -3.904 -17.451 -2.316 1.00 0.00 O ATOM 544 NE2 GLN A 34 -5.306 -16.211 -3.557 1.00 0.00 N ATOM 0 H GLN A 34 -1.659 -13.770 -0.859 1.00 0.00 H new ATOM 0 HA GLN A 34 0.209 -14.868 -2.530 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -1.518 -16.423 -3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -1.757 -16.007 -1.485 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.585 -14.512 -2.036 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -3.265 -14.667 -3.752 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -5.496 -15.313 -4.003 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.980 -16.973 -3.637 1.00 0.00 H new ATOM 553 N LYS A 35 -1.778 -12.827 -4.132 1.00 0.00 N ATOM 554 CA LYS A 35 -1.987 -12.134 -5.397 1.00 0.00 C ATOM 555 C LYS A 35 -0.846 -11.161 -5.679 1.00 0.00 C ATOM 556 O LYS A 35 -0.313 -11.118 -6.789 1.00 0.00 O ATOM 557 CB LYS A 35 -3.320 -11.383 -5.378 1.00 0.00 C ATOM 558 CG LYS A 35 -3.540 -10.502 -6.595 1.00 0.00 C ATOM 559 CD LYS A 35 -4.394 -9.291 -6.261 1.00 0.00 C ATOM 560 CE LYS A 35 -5.874 -9.581 -6.461 1.00 0.00 C ATOM 561 NZ LYS A 35 -6.681 -8.331 -6.517 1.00 0.00 N ATOM 0 H LYS A 35 -2.340 -12.471 -3.359 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.010 -12.880 -6.191 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.133 -12.106 -5.311 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.367 -10.766 -4.480 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.577 -10.173 -6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.022 -11.082 -7.382 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -4.217 -8.993 -5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.098 -8.451 -6.890 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -6.012 -10.144 -7.384 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.234 -10.210 -5.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -7.684 -8.571 -6.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.569 -7.806 -5.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -6.354 -7.742 -7.310 1.00 0.00 H new ATOM 575 N LEU A 36 -0.476 -10.382 -4.669 1.00 0.00 N ATOM 576 CA LEU A 36 0.603 -9.410 -4.808 1.00 0.00 C ATOM 577 C LEU A 36 1.874 -10.077 -5.324 1.00 0.00 C ATOM 578 O LEU A 36 2.577 -9.523 -6.168 1.00 0.00 O ATOM 579 CB LEU A 36 0.879 -8.731 -3.466 1.00 0.00 C ATOM 580 CG LEU A 36 -0.189 -7.752 -2.976 1.00 0.00 C ATOM 581 CD1 LEU A 36 -0.009 -7.462 -1.494 1.00 0.00 C ATOM 582 CD2 LEU A 36 -0.140 -6.462 -3.783 1.00 0.00 C ATOM 0 H LEU A 36 -0.907 -10.404 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 36 0.290 -8.658 -5.532 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.008 -9.505 -2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.826 -8.197 -3.540 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.167 -8.211 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.778 -6.764 -1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.095 -8.390 -0.929 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.975 -7.024 -1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.907 -5.777 -3.421 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.841 -6.000 -3.672 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.319 -6.684 -4.835 1.00 0.00 H new ATOM 594 N GLU A 37 2.160 -11.270 -4.812 1.00 0.00 N ATOM 595 CA GLU A 37 3.345 -12.013 -5.224 1.00 0.00 C ATOM 596 C GLU A 37 3.234 -12.452 -6.681 1.00 0.00 C ATOM 597 O GLU A 37 4.190 -12.967 -7.259 1.00 0.00 O ATOM 598 CB GLU A 37 3.546 -13.235 -4.325 1.00 0.00 C ATOM 599 CG GLU A 37 4.669 -14.150 -4.784 1.00 0.00 C ATOM 600 CD GLU A 37 4.210 -15.169 -5.808 1.00 0.00 C ATOM 601 OE1 GLU A 37 3.022 -15.552 -5.774 1.00 0.00 O ATOM 602 OE2 GLU A 37 5.040 -15.584 -6.644 1.00 0.00 O ATOM 0 H GLU A 37 1.588 -11.742 -4.112 1.00 0.00 H new ATOM 0 HA GLU A 37 4.207 -11.354 -5.127 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.755 -12.898 -3.310 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.617 -13.804 -4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.471 -13.548 -5.210 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.085 -14.670 -3.921 1.00 0.00 H new ATOM 609 N GLN A 38 2.060 -12.244 -7.267 1.00 0.00 N ATOM 610 CA GLN A 38 1.823 -12.619 -8.656 1.00 0.00 C ATOM 611 C GLN A 38 1.919 -11.404 -9.573 1.00 0.00 C ATOM 612 O GLN A 38 2.231 -11.531 -10.757 1.00 0.00 O ATOM 613 CB GLN A 38 0.449 -13.275 -8.802 1.00 0.00 C ATOM 614 CG GLN A 38 0.217 -13.906 -10.166 1.00 0.00 C ATOM 615 CD GLN A 38 -0.793 -15.035 -10.122 1.00 0.00 C ATOM 616 OE1 GLN A 38 -1.865 -14.902 -9.530 1.00 0.00 O ATOM 617 NE2 GLN A 38 -0.458 -16.155 -10.752 1.00 0.00 N ATOM 0 H GLN A 38 1.258 -11.818 -6.802 1.00 0.00 H new ATOM 0 HA GLN A 38 2.592 -13.334 -8.949 1.00 0.00 H new ATOM 0 HB2 GLN A 38 0.337 -14.040 -8.034 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -0.323 -12.527 -8.621 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.128 -13.141 -10.862 1.00 0.00 H new ATOM 0 HG3 GLN A 38 1.163 -14.285 -10.553 1.00 0.00 H new ATOM 0 HE21 GLN A 38 0.441 -16.222 -11.230 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.099 -16.948 -10.758 1.00 0.00 H new ATOM 626 N ILE A 39 1.648 -10.227 -9.017 1.00 0.00 N ATOM 627 CA ILE A 39 1.705 -8.990 -9.785 1.00 0.00 C ATOM 628 C ILE A 39 3.066 -8.316 -9.642 1.00 0.00 C ATOM 629 O ILE A 39 3.574 -7.710 -10.585 1.00 0.00 O ATOM 630 CB ILE A 39 0.607 -8.003 -9.345 1.00 0.00 C ATOM 631 CG1 ILE A 39 0.254 -8.223 -7.872 1.00 0.00 C ATOM 632 CG2 ILE A 39 -0.627 -8.159 -10.220 1.00 0.00 C ATOM 633 CD1 ILE A 39 -0.620 -7.134 -7.291 1.00 0.00 C ATOM 0 H ILE A 39 1.387 -10.105 -8.039 1.00 0.00 H new ATOM 0 HA ILE A 39 1.543 -9.259 -10.829 1.00 0.00 H new ATOM 0 HB ILE A 39 0.984 -6.987 -9.461 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -0.256 -9.181 -7.768 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.175 -8.287 -7.292 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.394 -7.455 -9.897 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.364 -7.958 -11.259 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -1.009 -9.176 -10.133 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.830 -7.356 -6.245 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.104 -6.176 -7.363 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -1.557 -7.084 -7.846 1.00 0.00 H new ATOM 645 N THR A 40 3.653 -8.427 -8.454 1.00 0.00 N ATOM 646 CA THR A 40 4.955 -7.830 -8.186 1.00 0.00 C ATOM 647 C THR A 40 6.077 -8.841 -8.393 1.00 0.00 C ATOM 648 O THR A 40 7.223 -8.469 -8.638 1.00 0.00 O ATOM 649 CB THR A 40 5.035 -7.277 -6.751 1.00 0.00 C ATOM 650 OG1 THR A 40 4.658 -8.292 -5.813 1.00 0.00 O ATOM 651 CG2 THR A 40 4.130 -6.066 -6.586 1.00 0.00 C ATOM 0 H THR A 40 3.247 -8.925 -7.662 1.00 0.00 H new ATOM 0 HA THR A 40 5.077 -7.008 -8.891 1.00 0.00 H new ATOM 0 HB THR A 40 6.064 -6.970 -6.561 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.687 -8.421 -5.843 1.00 0.00 H new ATOM 0 HG21 THR A 40 4.204 -5.693 -5.564 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.438 -5.284 -7.281 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.099 -6.351 -6.795 1.00 0.00 H new ATOM 659 N GLY A 41 5.738 -10.123 -8.292 1.00 0.00 N ATOM 660 CA GLY A 41 6.728 -11.168 -8.472 1.00 0.00 C ATOM 661 C GLY A 41 7.688 -11.264 -7.303 1.00 0.00 C ATOM 662 O GLY A 41 8.763 -11.855 -7.418 1.00 0.00 O ATOM 0 H GLY A 41 4.796 -10.456 -8.089 1.00 0.00 H new ATOM 0 HA2 GLY A 41 6.222 -12.125 -8.603 1.00 0.00 H new ATOM 0 HA3 GLY A 41 7.291 -10.978 -9.386 1.00 0.00 H new ATOM 666 N LEU A 42 7.302 -10.681 -6.173 1.00 0.00 N ATOM 667 CA LEU A 42 8.138 -10.701 -4.977 1.00 0.00 C ATOM 668 C LEU A 42 7.551 -11.630 -3.919 1.00 0.00 C ATOM 669 O LEU A 42 6.335 -11.729 -3.750 1.00 0.00 O ATOM 670 CB LEU A 42 8.283 -9.289 -4.409 1.00 0.00 C ATOM 671 CG LEU A 42 9.019 -8.282 -5.293 1.00 0.00 C ATOM 672 CD1 LEU A 42 8.554 -6.866 -4.990 1.00 0.00 C ATOM 673 CD2 LEU A 42 10.524 -8.403 -5.102 1.00 0.00 C ATOM 0 H LEU A 42 6.416 -10.189 -6.060 1.00 0.00 H new ATOM 0 HA LEU A 42 9.123 -11.076 -5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 42 7.287 -8.899 -4.200 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.806 -9.355 -3.455 1.00 0.00 H new ATOM 0 HG LEU A 42 8.786 -8.504 -6.334 1.00 0.00 H new ATOM 0 HD11 LEU A 42 9.089 -6.163 -5.629 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.484 -6.786 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.756 -6.633 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 42 11.031 -7.678 -5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 42 10.775 -8.208 -4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 42 10.845 -9.409 -5.370 1.00 0.00 H new ATOM 685 N PRO A 43 8.433 -12.326 -3.187 1.00 0.00 N ATOM 686 CA PRO A 43 8.025 -13.256 -2.130 1.00 0.00 C ATOM 687 C PRO A 43 7.017 -12.636 -1.169 1.00 0.00 C ATOM 688 O PRO A 43 7.034 -11.428 -0.931 1.00 0.00 O ATOM 689 CB PRO A 43 9.337 -13.565 -1.404 1.00 0.00 C ATOM 690 CG PRO A 43 10.398 -13.328 -2.422 1.00 0.00 C ATOM 691 CD PRO A 43 9.897 -12.257 -3.334 1.00 0.00 C ATOM 0 HA PRO A 43 7.527 -14.138 -2.533 1.00 0.00 H new ATOM 0 HB2 PRO A 43 9.470 -12.920 -0.536 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.357 -14.593 -1.043 1.00 0.00 H new ATOM 0 HG2 PRO A 43 11.329 -13.023 -1.945 1.00 0.00 H new ATOM 0 HG3 PRO A 43 10.609 -14.241 -2.979 1.00 0.00 H new ATOM 0 HD2 PRO A 43 10.282 -11.278 -3.050 1.00 0.00 H new ATOM 0 HD3 PRO A 43 10.204 -12.433 -4.365 1.00 0.00 H new ATOM 699 N ARG A 44 6.142 -13.470 -0.617 1.00 0.00 N ATOM 700 CA ARG A 44 5.126 -13.003 0.318 1.00 0.00 C ATOM 701 C ARG A 44 5.768 -12.298 1.510 1.00 0.00 C ATOM 702 O ARG A 44 5.323 -11.236 1.947 1.00 0.00 O ATOM 703 CB ARG A 44 4.273 -14.176 0.805 1.00 0.00 C ATOM 704 CG ARG A 44 4.151 -15.303 -0.207 1.00 0.00 C ATOM 705 CD ARG A 44 2.923 -16.159 0.056 1.00 0.00 C ATOM 706 NE ARG A 44 2.470 -16.853 -1.147 1.00 0.00 N ATOM 707 CZ ARG A 44 3.078 -17.921 -1.651 1.00 0.00 C ATOM 708 NH1 ARG A 44 4.157 -18.415 -1.059 1.00 0.00 N ATOM 709 NH2 ARG A 44 2.606 -18.497 -2.749 1.00 0.00 N ATOM 0 H ARG A 44 6.116 -14.473 -0.801 1.00 0.00 H new ATOM 0 HA ARG A 44 4.487 -12.290 -0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.705 -14.571 1.725 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.276 -13.811 1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.096 -14.886 -1.213 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.045 -15.926 -0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.150 -16.890 0.832 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.118 -15.530 0.436 1.00 0.00 H new ATOM 0 HE ARG A 44 1.642 -16.498 -1.626 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.522 -17.975 -0.214 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.622 -19.235 -1.448 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.776 -18.120 -3.206 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.073 -19.317 -3.136 1.00 0.00 H new ATOM 723 N PRO A 45 6.838 -12.901 2.049 1.00 0.00 N ATOM 724 CA PRO A 45 7.563 -12.348 3.196 1.00 0.00 C ATOM 725 C PRO A 45 8.205 -11.001 2.883 1.00 0.00 C ATOM 726 O PRO A 45 8.476 -10.208 3.784 1.00 0.00 O ATOM 727 CB PRO A 45 8.639 -13.401 3.476 1.00 0.00 C ATOM 728 CG PRO A 45 8.150 -14.633 2.796 1.00 0.00 C ATOM 729 CD PRO A 45 7.422 -14.168 1.579 1.00 0.00 C ATOM 0 HA PRO A 45 6.902 -12.157 4.042 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.608 -13.091 3.084 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.765 -13.563 4.546 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.980 -15.287 2.528 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.492 -15.205 3.450 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.092 -14.021 0.732 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.658 -14.878 1.262 1.00 0.00 H new ATOM 737 N GLU A 46 8.444 -10.749 1.600 1.00 0.00 N ATOM 738 CA GLU A 46 9.054 -9.497 1.169 1.00 0.00 C ATOM 739 C GLU A 46 8.009 -8.390 1.065 1.00 0.00 C ATOM 740 O GLU A 46 8.303 -7.219 1.309 1.00 0.00 O ATOM 741 CB GLU A 46 9.753 -9.682 -0.180 1.00 0.00 C ATOM 742 CG GLU A 46 10.953 -8.770 -0.374 1.00 0.00 C ATOM 743 CD GLU A 46 12.220 -9.334 0.241 1.00 0.00 C ATOM 744 OE1 GLU A 46 12.112 -10.101 1.221 1.00 0.00 O ATOM 745 OE2 GLU A 46 13.317 -9.009 -0.257 1.00 0.00 O ATOM 0 H GLU A 46 8.225 -11.395 0.842 1.00 0.00 H new ATOM 0 HA GLU A 46 9.793 -9.207 1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.076 -10.719 -0.273 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.035 -9.499 -0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.112 -8.607 -1.440 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.741 -7.797 0.069 1.00 0.00 H new ATOM 752 N ILE A 47 6.789 -8.769 0.700 1.00 0.00 N ATOM 753 CA ILE A 47 5.700 -7.809 0.564 1.00 0.00 C ATOM 754 C ILE A 47 5.075 -7.492 1.918 1.00 0.00 C ATOM 755 O ILE A 47 4.896 -6.326 2.273 1.00 0.00 O ATOM 756 CB ILE A 47 4.605 -8.330 -0.386 1.00 0.00 C ATOM 757 CG1 ILE A 47 5.225 -8.807 -1.701 1.00 0.00 C ATOM 758 CG2 ILE A 47 3.568 -7.248 -0.644 1.00 0.00 C ATOM 759 CD1 ILE A 47 4.216 -9.376 -2.673 1.00 0.00 C ATOM 0 H ILE A 47 6.530 -9.734 0.493 1.00 0.00 H new ATOM 0 HA ILE A 47 6.131 -6.900 0.144 1.00 0.00 H new ATOM 0 HB ILE A 47 4.107 -9.176 0.087 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.742 -7.972 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 47 5.977 -9.566 -1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.801 -7.632 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.108 -6.952 0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.050 -6.383 -1.099 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.726 -9.694 -3.582 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.716 -10.232 -2.219 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.477 -8.613 -2.919 1.00 0.00 H new ATOM 771 N ILE A 48 4.745 -8.536 2.670 1.00 0.00 N ATOM 772 CA ILE A 48 4.142 -8.369 3.987 1.00 0.00 C ATOM 773 C ILE A 48 4.933 -7.376 4.831 1.00 0.00 C ATOM 774 O ILE A 48 4.369 -6.434 5.388 1.00 0.00 O ATOM 775 CB ILE A 48 4.053 -9.710 4.740 1.00 0.00 C ATOM 776 CG1 ILE A 48 3.230 -10.718 3.936 1.00 0.00 C ATOM 777 CG2 ILE A 48 3.447 -9.503 6.120 1.00 0.00 C ATOM 778 CD1 ILE A 48 3.647 -12.154 4.160 1.00 0.00 C ATOM 0 H ILE A 48 4.885 -9.507 2.390 1.00 0.00 H new ATOM 0 HA ILE A 48 3.135 -7.985 3.827 1.00 0.00 H new ATOM 0 HB ILE A 48 5.060 -10.108 4.863 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.178 -10.608 4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.319 -10.484 2.875 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.391 -10.459 6.640 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.070 -8.815 6.692 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.445 -9.086 6.019 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.021 -12.813 3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.690 -12.280 3.869 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.531 -12.406 5.214 1.00 0.00 H new ATOM 790 N GLN A 49 6.241 -7.592 4.919 1.00 0.00 N ATOM 791 CA GLN A 49 7.109 -6.714 5.695 1.00 0.00 C ATOM 792 C GLN A 49 7.046 -5.284 5.171 1.00 0.00 C ATOM 793 O GLN A 49 7.044 -4.328 5.947 1.00 0.00 O ATOM 794 CB GLN A 49 8.552 -7.222 5.653 1.00 0.00 C ATOM 795 CG GLN A 49 9.413 -6.702 6.792 1.00 0.00 C ATOM 796 CD GLN A 49 10.809 -7.293 6.785 1.00 0.00 C ATOM 797 OE1 GLN A 49 11.003 -8.453 6.423 1.00 0.00 O ATOM 798 NE2 GLN A 49 11.792 -6.495 7.186 1.00 0.00 N ATOM 0 H GLN A 49 6.723 -8.367 4.463 1.00 0.00 H new ATOM 0 HA GLN A 49 6.759 -6.719 6.727 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.546 -8.312 5.681 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.004 -6.930 4.705 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.482 -5.616 6.724 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.930 -6.932 7.742 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.586 -5.540 7.478 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.753 -6.838 7.202 1.00 0.00 H new ATOM 807 N TRP A 50 6.995 -5.145 3.851 1.00 0.00 N ATOM 808 CA TRP A 50 6.931 -3.830 3.223 1.00 0.00 C ATOM 809 C TRP A 50 5.749 -3.028 3.756 1.00 0.00 C ATOM 810 O TRP A 50 5.870 -1.835 4.034 1.00 0.00 O ATOM 811 CB TRP A 50 6.824 -3.972 1.704 1.00 0.00 C ATOM 812 CG TRP A 50 6.759 -2.657 0.988 1.00 0.00 C ATOM 813 CD1 TRP A 50 7.814 -1.920 0.530 1.00 0.00 C ATOM 814 CD2 TRP A 50 5.577 -1.923 0.650 1.00 0.00 C ATOM 815 NE1 TRP A 50 7.358 -0.772 -0.073 1.00 0.00 N ATOM 816 CE2 TRP A 50 5.990 -0.751 -0.013 1.00 0.00 C ATOM 817 CE3 TRP A 50 4.210 -2.143 0.840 1.00 0.00 C ATOM 818 CZ2 TRP A 50 5.085 0.197 -0.484 1.00 0.00 C ATOM 819 CZ3 TRP A 50 3.313 -1.202 0.373 1.00 0.00 C ATOM 820 CH2 TRP A 50 3.752 -0.044 -0.283 1.00 0.00 C ATOM 0 H TRP A 50 6.997 -5.926 3.195 1.00 0.00 H new ATOM 0 HA TRP A 50 7.848 -3.294 3.467 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.682 -4.535 1.338 1.00 0.00 H new ATOM 0 HB3 TRP A 50 5.934 -4.554 1.462 1.00 0.00 H new ATOM 0 HD1 TRP A 50 8.853 -2.198 0.627 1.00 0.00 H new ATOM 0 HE1 TRP A 50 7.944 -0.052 -0.497 1.00 0.00 H new ATOM 0 HE3 TRP A 50 3.861 -3.033 1.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 5.422 1.090 -0.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 2.254 -1.362 0.516 1.00 0.00 H new ATOM 0 HH2 TRP A 50 3.025 0.672 -0.637 1.00 0.00 H new ATOM 831 N PHE A 51 4.606 -3.691 3.897 1.00 0.00 N ATOM 832 CA PHE A 51 3.400 -3.039 4.396 1.00 0.00 C ATOM 833 C PHE A 51 3.619 -2.498 5.806 1.00 0.00 C ATOM 834 O PHE A 51 3.173 -1.400 6.137 1.00 0.00 O ATOM 835 CB PHE A 51 2.225 -4.019 4.391 1.00 0.00 C ATOM 836 CG PHE A 51 1.510 -4.090 3.072 1.00 0.00 C ATOM 837 CD1 PHE A 51 0.453 -3.239 2.795 1.00 0.00 C ATOM 838 CD2 PHE A 51 1.896 -5.008 2.108 1.00 0.00 C ATOM 839 CE1 PHE A 51 -0.207 -3.303 1.583 1.00 0.00 C ATOM 840 CE2 PHE A 51 1.240 -5.076 0.893 1.00 0.00 C ATOM 841 CZ PHE A 51 0.187 -4.221 0.630 1.00 0.00 C ATOM 0 H PHE A 51 4.489 -4.679 3.673 1.00 0.00 H new ATOM 0 HA PHE A 51 3.169 -2.203 3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 51 2.590 -5.013 4.652 1.00 0.00 H new ATOM 0 HB3 PHE A 51 1.515 -3.727 5.165 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.141 -2.517 3.535 1.00 0.00 H new ATOM 0 HD2 PHE A 51 2.719 -5.678 2.308 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -1.031 -2.635 1.381 1.00 0.00 H new ATOM 0 HE2 PHE A 51 1.550 -5.796 0.151 1.00 0.00 H new ATOM 0 HZ PHE A 51 -0.327 -4.271 -0.319 1.00 0.00 H new ATOM 851 N GLY A 52 4.309 -3.278 6.633 1.00 0.00 N ATOM 852 CA GLY A 52 4.575 -2.861 7.997 1.00 0.00 C ATOM 853 C GLY A 52 5.419 -1.604 8.066 1.00 0.00 C ATOM 854 O GLY A 52 5.110 -0.681 8.818 1.00 0.00 O ATOM 0 H GLY A 52 4.688 -4.191 6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.630 -2.689 8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.084 -3.666 8.527 1.00 0.00 H new ATOM 858 N ASP A 53 6.489 -1.569 7.279 1.00 0.00 N ATOM 859 CA ASP A 53 7.382 -0.416 7.254 1.00 0.00 C ATOM 860 C ASP A 53 6.703 0.783 6.600 1.00 0.00 C ATOM 861 O ASP A 53 6.846 1.918 7.057 1.00 0.00 O ATOM 862 CB ASP A 53 8.671 -0.759 6.505 1.00 0.00 C ATOM 863 CG ASP A 53 9.840 0.102 6.942 1.00 0.00 C ATOM 864 OD1 ASP A 53 9.603 1.248 7.376 1.00 0.00 O ATOM 865 OD2 ASP A 53 10.993 -0.371 6.849 1.00 0.00 O ATOM 0 H ASP A 53 6.759 -2.325 6.650 1.00 0.00 H new ATOM 0 HA ASP A 53 7.627 -0.155 8.283 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.915 -1.809 6.669 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.510 -0.633 5.434 1.00 0.00 H new ATOM 870 N THR A 54 5.962 0.525 5.526 1.00 0.00 N ATOM 871 CA THR A 54 5.262 1.582 4.808 1.00 0.00 C ATOM 872 C THR A 54 4.424 2.430 5.758 1.00 0.00 C ATOM 873 O THR A 54 4.354 3.651 5.617 1.00 0.00 O ATOM 874 CB THR A 54 4.348 1.006 3.710 1.00 0.00 C ATOM 875 OG1 THR A 54 5.122 0.238 2.782 1.00 0.00 O ATOM 876 CG2 THR A 54 3.620 2.119 2.973 1.00 0.00 C ATOM 0 H THR A 54 5.832 -0.408 5.135 1.00 0.00 H new ATOM 0 HA THR A 54 6.025 2.207 4.344 1.00 0.00 H new ATOM 0 HB THR A 54 3.608 0.362 4.185 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.426 -0.588 3.214 1.00 0.00 H new ATOM 0 HG21 THR A 54 2.981 1.688 2.203 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.009 2.683 3.678 1.00 0.00 H new ATOM 0 HG23 THR A 54 4.348 2.785 2.510 1.00 0.00 H new ATOM 884 N ARG A 55 3.791 1.776 6.726 1.00 0.00 N ATOM 885 CA ARG A 55 2.957 2.471 7.699 1.00 0.00 C ATOM 886 C ARG A 55 3.787 3.446 8.528 1.00 0.00 C ATOM 887 O ARG A 55 3.415 4.608 8.694 1.00 0.00 O ATOM 888 CB ARG A 55 2.263 1.464 8.618 1.00 0.00 C ATOM 889 CG ARG A 55 1.275 0.562 7.898 1.00 0.00 C ATOM 890 CD ARG A 55 0.642 -0.443 8.849 1.00 0.00 C ATOM 891 NE ARG A 55 1.625 -1.378 9.390 1.00 0.00 N ATOM 892 CZ ARG A 55 2.372 -1.122 10.458 1.00 0.00 C ATOM 893 NH1 ARG A 55 2.250 0.034 11.096 1.00 0.00 N ATOM 894 NH2 ARG A 55 3.245 -2.024 10.890 1.00 0.00 N ATOM 0 H ARG A 55 3.840 0.766 6.857 1.00 0.00 H new ATOM 0 HA ARG A 55 2.201 3.037 7.155 1.00 0.00 H new ATOM 0 HB2 ARG A 55 3.019 0.846 9.103 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.740 2.005 9.406 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.496 1.169 7.437 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.784 0.032 7.093 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.158 0.088 9.668 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.136 -0.998 8.325 1.00 0.00 H new ATOM 0 HE ARG A 55 1.744 -2.276 8.922 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.581 0.730 10.767 1.00 0.00 H new ATOM 0 HH12 ARG A 55 2.825 0.227 11.916 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.342 -2.914 10.402 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.818 -1.827 11.710 1.00 0.00 H new ATOM 908 N TYR A 56 4.911 2.965 9.047 1.00 0.00 N ATOM 909 CA TYR A 56 5.792 3.793 9.861 1.00 0.00 C ATOM 910 C TYR A 56 6.052 5.138 9.189 1.00 0.00 C ATOM 911 O TYR A 56 5.737 6.192 9.741 1.00 0.00 O ATOM 912 CB TYR A 56 7.117 3.071 10.112 1.00 0.00 C ATOM 913 CG TYR A 56 8.286 4.007 10.325 1.00 0.00 C ATOM 914 CD1 TYR A 56 8.250 4.980 11.316 1.00 0.00 C ATOM 915 CD2 TYR A 56 9.426 3.917 9.536 1.00 0.00 C ATOM 916 CE1 TYR A 56 9.315 5.838 11.514 1.00 0.00 C ATOM 917 CE2 TYR A 56 10.497 4.769 9.728 1.00 0.00 C ATOM 918 CZ TYR A 56 10.436 5.728 10.718 1.00 0.00 C ATOM 919 OH TYR A 56 11.500 6.579 10.912 1.00 0.00 O ATOM 0 H TYR A 56 5.233 2.006 8.918 1.00 0.00 H new ATOM 0 HA TYR A 56 5.298 3.974 10.816 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.012 2.430 10.987 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.333 2.421 9.264 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.375 5.067 11.942 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.476 3.168 8.759 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.270 6.590 12.288 1.00 0.00 H new ATOM 0 HE2 TYR A 56 11.376 4.685 9.107 1.00 0.00 H new ATOM 0 HH TYR A 56 12.209 6.368 10.269 1.00 0.00 H new ATOM 929 N ALA A 57 6.629 5.092 7.992 1.00 0.00 N ATOM 930 CA ALA A 57 6.929 6.305 7.242 1.00 0.00 C ATOM 931 C ALA A 57 5.696 7.194 7.119 1.00 0.00 C ATOM 932 O ALA A 57 5.743 8.386 7.426 1.00 0.00 O ATOM 933 CB ALA A 57 7.468 5.953 5.863 1.00 0.00 C ATOM 0 H ALA A 57 6.898 4.228 7.522 1.00 0.00 H new ATOM 0 HA ALA A 57 7.692 6.860 7.788 1.00 0.00 H new ATOM 0 HB1 ALA A 57 7.688 6.868 5.314 1.00 0.00 H new ATOM 0 HB2 ALA A 57 8.380 5.365 5.968 1.00 0.00 H new ATOM 0 HB3 ALA A 57 6.723 5.373 5.318 1.00 0.00 H new ATOM 939 N LEU A 58 4.593 6.607 6.667 1.00 0.00 N ATOM 940 CA LEU A 58 3.346 7.346 6.502 1.00 0.00 C ATOM 941 C LEU A 58 2.990 8.105 7.777 1.00 0.00 C ATOM 942 O LEU A 58 3.000 9.336 7.803 1.00 0.00 O ATOM 943 CB LEU A 58 2.210 6.392 6.129 1.00 0.00 C ATOM 944 CG LEU A 58 0.794 6.962 6.231 1.00 0.00 C ATOM 945 CD1 LEU A 58 0.443 7.747 4.976 1.00 0.00 C ATOM 946 CD2 LEU A 58 -0.214 5.846 6.463 1.00 0.00 C ATOM 0 H LEU A 58 4.537 5.622 6.408 1.00 0.00 H new ATOM 0 HA LEU A 58 3.484 8.068 5.698 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.370 6.051 5.106 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.274 5.514 6.772 1.00 0.00 H new ATOM 0 HG LEU A 58 0.757 7.642 7.082 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.568 8.145 5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.147 8.570 4.853 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.498 7.089 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.216 6.269 6.533 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.175 5.142 5.632 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.026 5.326 7.391 1.00 0.00 H new ATOM 958 N LYS A 59 2.677 7.362 8.833 1.00 0.00 N ATOM 959 CA LYS A 59 2.321 7.963 10.113 1.00 0.00 C ATOM 960 C LYS A 59 3.178 9.193 10.394 1.00 0.00 C ATOM 961 O LYS A 59 2.683 10.209 10.882 1.00 0.00 O ATOM 962 CB LYS A 59 2.488 6.944 11.242 1.00 0.00 C ATOM 963 CG LYS A 59 2.352 7.546 12.630 1.00 0.00 C ATOM 964 CD LYS A 59 3.687 8.051 13.152 1.00 0.00 C ATOM 965 CE LYS A 59 4.435 6.966 13.913 1.00 0.00 C ATOM 966 NZ LYS A 59 3.781 6.650 15.213 1.00 0.00 N ATOM 0 H LYS A 59 2.663 6.342 8.828 1.00 0.00 H new ATOM 0 HA LYS A 59 1.277 8.273 10.062 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.744 6.156 11.122 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.467 6.474 11.154 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.637 8.368 12.603 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.952 6.798 13.314 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.297 8.398 12.318 1.00 0.00 H new ATOM 0 HD3 LYS A 59 3.523 8.908 13.805 1.00 0.00 H new ATOM 0 HE2 LYS A 59 4.486 6.064 13.303 1.00 0.00 H new ATOM 0 HE3 LYS A 59 5.461 7.289 14.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.470 6.197 15.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.434 7.528 15.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.982 6.004 15.052 1.00 0.00 H new ATOM 980 N HIS A 60 4.467 9.095 10.081 1.00 0.00 N ATOM 981 CA HIS A 60 5.392 10.201 10.298 1.00 0.00 C ATOM 982 C HIS A 60 5.214 11.276 9.230 1.00 0.00 C ATOM 983 O HIS A 60 5.338 12.468 9.508 1.00 0.00 O ATOM 984 CB HIS A 60 6.835 9.695 10.292 1.00 0.00 C ATOM 985 CG HIS A 60 7.256 9.074 11.589 1.00 0.00 C ATOM 986 ND1 HIS A 60 8.074 9.711 12.498 1.00 0.00 N ATOM 987 CD2 HIS A 60 6.967 7.866 12.127 1.00 0.00 C ATOM 988 CE1 HIS A 60 8.271 8.922 13.538 1.00 0.00 C ATOM 989 NE2 HIS A 60 7.610 7.796 13.339 1.00 0.00 N ATOM 0 H HIS A 60 4.894 8.261 9.677 1.00 0.00 H new ATOM 0 HA HIS A 60 5.172 10.640 11.271 1.00 0.00 H new ATOM 0 HB2 HIS A 60 6.952 8.963 9.493 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.502 10.526 10.063 1.00 0.00 H new ATOM 0 HD2 HIS A 60 6.347 7.100 11.686 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.871 9.157 14.405 1.00 0.00 H new ATOM 0 HE2 HIS A 60 7.582 7.004 13.981 1.00 0.00 H new ATOM 998 N GLY A 61 4.924 10.845 8.006 1.00 0.00 N ATOM 999 CA GLY A 61 4.734 11.783 6.914 1.00 0.00 C ATOM 1000 C GLY A 61 5.842 11.704 5.883 1.00 0.00 C ATOM 1001 O GLY A 61 6.294 12.727 5.369 1.00 0.00 O ATOM 0 H GLY A 61 4.817 9.863 7.751 1.00 0.00 H new ATOM 0 HA2 GLY A 61 3.777 11.584 6.431 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.685 12.796 7.313 1.00 0.00 H new ATOM 1005 N GLN A 62 6.282 10.487 5.581 1.00 0.00 N ATOM 1006 CA GLN A 62 7.346 10.279 4.606 1.00 0.00 C ATOM 1007 C GLN A 62 6.769 9.975 3.227 1.00 0.00 C ATOM 1008 O GLN A 62 7.177 10.567 2.227 1.00 0.00 O ATOM 1009 CB GLN A 62 8.260 9.137 5.052 1.00 0.00 C ATOM 1010 CG GLN A 62 9.290 9.553 6.090 1.00 0.00 C ATOM 1011 CD GLN A 62 9.940 10.884 5.766 1.00 0.00 C ATOM 1012 OE1 GLN A 62 10.689 11.003 4.796 1.00 0.00 O ATOM 1013 NE2 GLN A 62 9.657 11.895 6.579 1.00 0.00 N ATOM 0 H GLN A 62 5.918 9.630 5.997 1.00 0.00 H new ATOM 0 HA GLN A 62 7.929 11.197 4.542 1.00 0.00 H new ATOM 0 HB2 GLN A 62 7.649 8.332 5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 62 8.776 8.734 4.181 1.00 0.00 H new ATOM 0 HG2 GLN A 62 8.811 9.615 7.067 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.060 8.785 6.161 1.00 0.00 H new ATOM 0 HE21 GLN A 62 9.031 11.752 7.371 1.00 0.00 H new ATOM 0 HE22 GLN A 62 10.066 12.814 6.411 1.00 0.00 H new ATOM 1022 N LEU A 63 5.818 9.048 3.181 1.00 0.00 N ATOM 1023 CA LEU A 63 5.184 8.665 1.924 1.00 0.00 C ATOM 1024 C LEU A 63 4.829 9.895 1.095 1.00 0.00 C ATOM 1025 O LEU A 63 3.893 10.627 1.419 1.00 0.00 O ATOM 1026 CB LEU A 63 3.926 7.838 2.196 1.00 0.00 C ATOM 1027 CG LEU A 63 4.124 6.325 2.286 1.00 0.00 C ATOM 1028 CD1 LEU A 63 5.179 5.985 3.327 1.00 0.00 C ATOM 1029 CD2 LEU A 63 2.808 5.634 2.613 1.00 0.00 C ATOM 0 H LEU A 63 5.469 8.548 3.999 1.00 0.00 H new ATOM 0 HA LEU A 63 5.893 8.061 1.358 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.484 8.183 3.131 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.203 8.043 1.407 1.00 0.00 H new ATOM 0 HG LEU A 63 4.470 5.965 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.306 4.904 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.126 6.449 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.863 6.358 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.967 4.557 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.433 5.999 3.569 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.080 5.850 1.831 1.00 0.00 H new ATOM 1041 N LYS A 64 5.581 10.117 0.023 1.00 0.00 N ATOM 1042 CA LYS A 64 5.344 11.256 -0.856 1.00 0.00 C ATOM 1043 C LYS A 64 4.128 11.015 -1.744 1.00 0.00 C ATOM 1044 O LYS A 64 3.520 11.959 -2.250 1.00 0.00 O ATOM 1045 CB LYS A 64 6.577 11.522 -1.723 1.00 0.00 C ATOM 1046 CG LYS A 64 6.411 12.695 -2.673 1.00 0.00 C ATOM 1047 CD LYS A 64 5.826 12.256 -4.005 1.00 0.00 C ATOM 1048 CE LYS A 64 5.078 13.391 -4.687 1.00 0.00 C ATOM 1049 NZ LYS A 64 5.993 14.494 -5.093 1.00 0.00 N ATOM 0 H LYS A 64 6.361 9.523 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 64 5.149 12.129 -0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.433 11.709 -1.075 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.804 10.626 -2.301 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.762 13.443 -2.218 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.378 13.170 -2.838 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.626 11.903 -4.656 1.00 0.00 H new ATOM 0 HD3 LYS A 64 5.149 11.416 -3.847 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.559 13.008 -5.566 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.316 13.781 -4.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.445 15.248 -5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.469 14.877 -4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.705 14.128 -5.757 1.00 0.00 H new ATOM 1063 N TRP A 65 3.777 9.747 -1.927 1.00 0.00 N ATOM 1064 CA TRP A 65 2.631 9.384 -2.753 1.00 0.00 C ATOM 1065 C TRP A 65 1.353 9.343 -1.923 1.00 0.00 C ATOM 1066 O TRP A 65 0.276 9.692 -2.407 1.00 0.00 O ATOM 1067 CB TRP A 65 2.866 8.026 -3.418 1.00 0.00 C ATOM 1068 CG TRP A 65 3.528 7.029 -2.515 1.00 0.00 C ATOM 1069 CD1 TRP A 65 4.858 6.954 -2.213 1.00 0.00 C ATOM 1070 CD2 TRP A 65 2.891 5.965 -1.800 1.00 0.00 C ATOM 1071 NE1 TRP A 65 5.085 5.907 -1.353 1.00 0.00 N ATOM 1072 CE2 TRP A 65 3.895 5.285 -1.084 1.00 0.00 C ATOM 1073 CE3 TRP A 65 1.570 5.522 -1.694 1.00 0.00 C ATOM 1074 CZ2 TRP A 65 3.617 4.186 -0.275 1.00 0.00 C ATOM 1075 CZ3 TRP A 65 1.296 4.431 -0.891 1.00 0.00 C ATOM 1076 CH2 TRP A 65 2.315 3.774 -0.189 1.00 0.00 C ATOM 0 H TRP A 65 4.269 8.954 -1.515 1.00 0.00 H new ATOM 0 HA TRP A 65 2.516 10.144 -3.526 1.00 0.00 H new ATOM 0 HB2 TRP A 65 1.910 7.623 -3.753 1.00 0.00 H new ATOM 0 HB3 TRP A 65 3.482 8.166 -4.306 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.619 7.619 -2.594 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.993 5.637 -0.976 1.00 0.00 H new ATOM 0 HE3 TRP A 65 0.777 6.023 -2.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 4.401 3.677 0.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 0.279 4.079 -0.803 1.00 0.00 H new ATOM 0 HH2 TRP A 65 2.068 2.926 0.432 1.00 0.00 H new ATOM 1087 N PHE A 66 1.479 8.915 -0.671 1.00 0.00 N ATOM 1088 CA PHE A 66 0.332 8.828 0.226 1.00 0.00 C ATOM 1089 C PHE A 66 -0.102 10.215 0.690 1.00 0.00 C ATOM 1090 O PHE A 66 0.732 11.083 0.951 1.00 0.00 O ATOM 1091 CB PHE A 66 0.670 7.955 1.436 1.00 0.00 C ATOM 1092 CG PHE A 66 -0.518 7.238 2.009 1.00 0.00 C ATOM 1093 CD1 PHE A 66 -1.579 7.948 2.548 1.00 0.00 C ATOM 1094 CD2 PHE A 66 -0.575 5.854 2.009 1.00 0.00 C ATOM 1095 CE1 PHE A 66 -2.675 7.291 3.076 1.00 0.00 C ATOM 1096 CE2 PHE A 66 -1.669 5.191 2.535 1.00 0.00 C ATOM 1097 CZ PHE A 66 -2.719 5.911 3.070 1.00 0.00 C ATOM 0 H PHE A 66 2.363 8.623 -0.255 1.00 0.00 H new ATOM 0 HA PHE A 66 -0.493 8.373 -0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 66 1.422 7.221 1.146 1.00 0.00 H new ATOM 0 HB3 PHE A 66 1.116 8.579 2.211 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.549 9.028 2.556 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.244 5.286 1.593 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -3.495 7.856 3.493 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.702 4.112 2.527 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.573 5.395 3.483 1.00 0.00 H new ATOM 1107 N ARG A 67 -1.411 10.416 0.789 1.00 0.00 N ATOM 1108 CA ARG A 67 -1.957 11.698 1.219 1.00 0.00 C ATOM 1109 C ARG A 67 -1.336 12.136 2.542 1.00 0.00 C ATOM 1110 O ARG A 67 -0.562 11.398 3.151 1.00 0.00 O ATOM 1111 CB ARG A 67 -3.477 11.607 1.363 1.00 0.00 C ATOM 1112 CG ARG A 67 -4.178 11.101 0.113 1.00 0.00 C ATOM 1113 CD ARG A 67 -5.587 10.617 0.420 1.00 0.00 C ATOM 1114 NE ARG A 67 -6.157 9.852 -0.686 1.00 0.00 N ATOM 1115 CZ ARG A 67 -6.564 10.400 -1.825 1.00 0.00 C ATOM 1116 NH1 ARG A 67 -6.465 11.710 -2.008 1.00 0.00 N ATOM 1117 NH2 ARG A 67 -7.072 9.638 -2.785 1.00 0.00 N ATOM 0 H ARG A 67 -2.114 9.708 0.577 1.00 0.00 H new ATOM 0 HA ARG A 67 -1.715 12.441 0.459 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.716 10.946 2.196 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.869 12.592 1.616 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -4.220 11.898 -0.630 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.600 10.287 -0.325 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -5.570 9.999 1.318 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.226 11.474 0.635 1.00 0.00 H new ATOM 0 HE ARG A 67 -6.247 8.842 -0.578 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.075 12.300 -1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -6.779 12.128 -2.884 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -7.150 8.630 -2.648 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -7.384 10.060 -3.660 1.00 0.00 H new ATOM 1131 N ASP A 68 -1.680 13.342 2.980 1.00 0.00 N ATOM 1132 CA ASP A 68 -1.157 13.880 4.231 1.00 0.00 C ATOM 1133 C ASP A 68 -2.258 13.980 5.282 1.00 0.00 C ATOM 1134 O ASP A 68 -2.056 13.624 6.442 1.00 0.00 O ATOM 1135 CB ASP A 68 -0.531 15.256 3.998 1.00 0.00 C ATOM 1136 CG ASP A 68 0.679 15.194 3.087 1.00 0.00 C ATOM 1137 OD1 ASP A 68 1.791 14.935 3.594 1.00 0.00 O ATOM 1138 OD2 ASP A 68 0.515 15.405 1.868 1.00 0.00 O ATOM 0 H ASP A 68 -2.319 13.966 2.487 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.390 13.198 4.598 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.276 15.922 3.563 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.239 15.686 4.956 1.00 0.00 H new ATOM 1143 N ASN A 69 -3.423 14.467 4.867 1.00 0.00 N ATOM 1144 CA ASN A 69 -4.556 14.615 5.774 1.00 0.00 C ATOM 1145 C ASN A 69 -5.122 13.253 6.164 1.00 0.00 C ATOM 1146 O ASN A 69 -5.802 12.602 5.372 1.00 0.00 O ATOM 1147 CB ASN A 69 -5.648 15.466 5.123 1.00 0.00 C ATOM 1148 CG ASN A 69 -5.806 15.172 3.644 1.00 0.00 C ATOM 1149 OD1 ASN A 69 -4.961 15.546 2.831 1.00 0.00 O ATOM 1150 ND2 ASN A 69 -6.894 14.499 3.288 1.00 0.00 N ATOM 0 H ASN A 69 -3.607 14.766 3.909 1.00 0.00 H new ATOM 0 HA ASN A 69 -4.205 15.114 6.677 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -6.596 15.285 5.630 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.411 16.521 5.257 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -7.055 14.273 2.307 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -7.568 14.209 3.996 1.00 0.00 H new ATOM 1157 N ALA A 70 -4.837 12.829 7.391 1.00 0.00 N ATOM 1158 CA ALA A 70 -5.320 11.547 7.888 1.00 0.00 C ATOM 1159 C ALA A 70 -6.838 11.550 8.031 1.00 0.00 C ATOM 1160 O ALA A 70 -7.366 11.690 9.134 1.00 0.00 O ATOM 1161 CB ALA A 70 -4.662 11.215 9.219 1.00 0.00 C ATOM 0 H ALA A 70 -4.274 13.355 8.059 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.052 10.779 7.162 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.032 10.255 9.578 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.581 11.161 9.087 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.900 11.991 9.946 1.00 0.00 H new ATOM 1167 N SER A 71 -7.534 11.395 6.910 1.00 0.00 N ATOM 1168 CA SER A 71 -8.992 11.384 6.911 1.00 0.00 C ATOM 1169 C SER A 71 -9.525 9.997 7.256 1.00 0.00 C ATOM 1170 O SER A 71 -10.344 9.842 8.161 1.00 0.00 O ATOM 1171 CB SER A 71 -9.527 11.823 5.546 1.00 0.00 C ATOM 1172 OG SER A 71 -10.934 11.672 5.477 1.00 0.00 O ATOM 0 H SER A 71 -7.112 11.275 5.989 1.00 0.00 H new ATOM 0 HA SER A 71 -9.335 12.085 7.671 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.261 12.864 5.365 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.056 11.233 4.760 1.00 0.00 H new ATOM 0 HG SER A 71 -11.251 11.961 4.596 1.00 0.00 H new ATOM 1178 N GLY A 72 -9.053 8.990 6.528 1.00 0.00 N ATOM 1179 CA GLY A 72 -9.493 7.629 6.771 1.00 0.00 C ATOM 1180 C GLY A 72 -9.763 6.868 5.488 1.00 0.00 C ATOM 1181 O GLY A 72 -10.208 7.433 4.489 1.00 0.00 O ATOM 0 H GLY A 72 -8.374 9.093 5.774 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.733 7.103 7.349 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.399 7.646 7.377 1.00 0.00 H new ATOM 1185 N PRO A 73 -9.490 5.555 5.505 1.00 0.00 N ATOM 1186 CA PRO A 73 -9.697 4.688 4.341 1.00 0.00 C ATOM 1187 C PRO A 73 -11.175 4.476 4.033 1.00 0.00 C ATOM 1188 O PRO A 73 -12.046 4.923 4.780 1.00 0.00 O ATOM 1189 CB PRO A 73 -9.044 3.369 4.760 1.00 0.00 C ATOM 1190 CG PRO A 73 -9.097 3.376 6.249 1.00 0.00 C ATOM 1191 CD PRO A 73 -8.957 4.815 6.662 1.00 0.00 C ATOM 0 HA PRO A 73 -9.276 5.118 3.432 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.580 2.514 4.349 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.017 3.304 4.401 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.037 2.957 6.608 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.296 2.769 6.671 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.520 5.029 7.570 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -7.918 5.076 6.862 1.00 0.00 H new ATOM 1199 N SER A 74 -11.452 3.792 2.927 1.00 0.00 N ATOM 1200 CA SER A 74 -12.826 3.523 2.519 1.00 0.00 C ATOM 1201 C SER A 74 -12.903 2.258 1.669 1.00 0.00 C ATOM 1202 O SER A 74 -12.092 2.054 0.766 1.00 0.00 O ATOM 1203 CB SER A 74 -13.389 4.712 1.736 1.00 0.00 C ATOM 1204 OG SER A 74 -13.596 5.828 2.584 1.00 0.00 O ATOM 0 H SER A 74 -10.743 3.414 2.298 1.00 0.00 H new ATOM 0 HA SER A 74 -13.423 3.372 3.418 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.701 4.983 0.935 1.00 0.00 H new ATOM 0 HB3 SER A 74 -14.331 4.429 1.266 1.00 0.00 H new ATOM 0 HG SER A 74 -13.241 5.631 3.476 1.00 0.00 H new ATOM 1210 N SER A 75 -13.884 1.413 1.966 1.00 0.00 N ATOM 1211 CA SER A 75 -14.066 0.165 1.232 1.00 0.00 C ATOM 1212 C SER A 75 -15.431 0.129 0.552 1.00 0.00 C ATOM 1213 O SER A 75 -16.346 0.859 0.931 1.00 0.00 O ATOM 1214 CB SER A 75 -13.922 -1.031 2.175 1.00 0.00 C ATOM 1215 OG SER A 75 -15.081 -1.194 2.974 1.00 0.00 O ATOM 0 H SER A 75 -14.565 1.569 2.709 1.00 0.00 H new ATOM 0 HA SER A 75 -13.295 0.108 0.464 1.00 0.00 H new ATOM 0 HB2 SER A 75 -13.747 -1.937 1.594 1.00 0.00 H new ATOM 0 HB3 SER A 75 -13.052 -0.890 2.816 1.00 0.00 H new ATOM 0 HG SER A 75 -14.964 -1.966 3.566 1.00 0.00 H new ATOM 1221 N GLY A 76 -15.560 -0.728 -0.457 1.00 0.00 N ATOM 1222 CA GLY A 76 -16.816 -0.844 -1.175 1.00 0.00 C ATOM 1223 C GLY A 76 -16.714 -0.350 -2.604 1.00 0.00 C ATOM 1224 O GLY A 76 -17.046 0.800 -2.895 1.00 0.00 O ATOM 0 H GLY A 76 -14.818 -1.343 -0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.136 -1.886 -1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.584 -0.275 -0.651 1.00 0.00 H new TER 1228 GLY A 76