USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 583 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: P 23 ASN : amide:sc= 0.0196 K(o=0.89,f=-3.7!) USER MOD Set 1.2: P 30 THR OG1 : rot -170:sc= 0.868 USER MOD Single : P 0 SER OG : rot 180:sc= 0 USER MOD Single : P 1 GLN : amide:sc= -0.475 X(o=-0.48,f=-0.48) USER MOD Single : P 4 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : P 6 THR OG1 : rot 180:sc= 0 USER MOD Single : P 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : P 9 THR OG1 : rot 180:sc= 0.287 USER MOD Single : P -1 GLY N :NH3+ -126:sc= 0.0584 (180deg=0) USER MOD Single : P 10 SER OG : rot 180:sc= 0 USER MOD Single : P 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : P 12 GLN : amide:sc= 0.894 K(o=0.89,f=-4.7!) USER MOD Single : P 14 GLN : amide:sc= 0.836 K(o=0.84,f=-0.035) USER MOD Single : P 19 THR OG1 : rot -42:sc= 0.386 USER MOD Single : P 21 GLN : amide:sc= 0.927 K(o=0.93,f=-0.024) USER MOD Single : P 24 HIS : no HD1:sc= -0.0587 X(o=-0.059,f=0) USER MOD Single : P 25 TYR OH : rot 180:sc= 0 USER MOD Single : P 28 MET CE :methyl -122:sc= 0 (180deg=-0.0399) USER MOD Single : P 29 SER OG : rot 180:sc= 0 USER MOD Single : P 38 THR OG1 : rot -96:sc= 0.934 USER MOD Single : P 39 ASN : amide:sc= -0.0111 K(o=-0.011,f=-0.91) USER MOD Single : P 41 THR OG1 : rot 180:sc= 0 USER MOD Single : P 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 51 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : P 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : P 58 LYS NZ :NH3+ 155:sc= 0.955 (180deg=0.555) USER MOD Single : P 65 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY P -1 2.495 -6.731 22.113 1.00 0.00 N ATOM 2 CA GLY P -1 3.369 -5.571 21.831 1.00 0.00 C ATOM 3 C GLY P -1 2.577 -4.275 21.709 1.00 0.00 C ATOM 4 O GLY P -1 1.420 -4.200 22.131 1.00 0.00 O ATOM 0 H1 GLY P -1 2.836 -7.224 22.963 1.00 0.00 H new ATOM 0 H2 GLY P -1 1.521 -6.402 22.271 1.00 0.00 H new ATOM 0 H3 GLY P -1 2.513 -7.384 21.304 1.00 0.00 H new ATOM 0 HA2 GLY P -1 4.107 -5.471 22.627 1.00 0.00 H new ATOM 0 HA3 GLY P -1 3.919 -5.748 20.907 1.00 0.00 H new ATOM 10 N SER P 0 3.199 -3.238 21.138 1.00 0.00 N ATOM 11 CA SER P 0 2.596 -1.914 20.890 1.00 0.00 C ATOM 12 C SER P 0 3.198 -1.243 19.641 1.00 0.00 C ATOM 13 O SER P 0 4.206 -1.705 19.097 1.00 0.00 O ATOM 14 CB SER P 0 2.782 -1.024 22.127 1.00 0.00 C ATOM 15 OG SER P 0 1.946 0.120 22.047 1.00 0.00 O ATOM 0 H SER P 0 4.168 -3.294 20.824 1.00 0.00 H new ATOM 0 HA SER P 0 1.531 -2.051 20.702 1.00 0.00 H new ATOM 0 HB2 SER P 0 2.548 -1.590 23.028 1.00 0.00 H new ATOM 0 HB3 SER P 0 3.824 -0.715 22.207 1.00 0.00 H new ATOM 0 HG SER P 0 2.075 0.676 22.844 1.00 0.00 H new ATOM 21 N GLN P 1 2.584 -0.153 19.170 1.00 0.00 N ATOM 22 CA GLN P 1 3.016 0.595 17.983 1.00 0.00 C ATOM 23 C GLN P 1 4.295 1.411 18.258 1.00 0.00 C ATOM 24 O GLN P 1 4.463 1.985 19.340 1.00 0.00 O ATOM 25 CB GLN P 1 1.885 1.510 17.470 1.00 0.00 C ATOM 26 CG GLN P 1 0.680 0.769 16.860 1.00 0.00 C ATOM 27 CD GLN P 1 -0.178 0.023 17.883 1.00 0.00 C ATOM 28 OE1 GLN P 1 -0.188 -1.199 17.959 1.00 0.00 O ATOM 29 NE2 GLN P 1 -0.927 0.720 18.712 1.00 0.00 N ATOM 0 H GLN P 1 1.755 0.243 19.612 1.00 0.00 H new ATOM 0 HA GLN P 1 3.251 -0.133 17.206 1.00 0.00 H new ATOM 0 HB2 GLN P 1 1.533 2.127 18.297 1.00 0.00 H new ATOM 0 HB3 GLN P 1 2.296 2.186 16.720 1.00 0.00 H new ATOM 0 HG2 GLN P 1 0.054 1.489 16.332 1.00 0.00 H new ATOM 0 HG3 GLN P 1 1.042 0.058 16.118 1.00 0.00 H new ATOM 0 HE21 GLN P 1 -0.931 1.739 18.662 1.00 0.00 H new ATOM 0 HE22 GLN P 1 -1.504 0.241 19.404 1.00 0.00 H new ATOM 38 N ARG P 2 5.186 1.505 17.259 1.00 0.00 N ATOM 39 CA ARG P 2 6.469 2.241 17.347 1.00 0.00 C ATOM 40 C ARG P 2 6.329 3.762 17.161 1.00 0.00 C ATOM 41 O ARG P 2 7.240 4.506 17.528 1.00 0.00 O ATOM 42 CB ARG P 2 7.481 1.654 16.344 1.00 0.00 C ATOM 43 CG ARG P 2 7.861 0.199 16.678 1.00 0.00 C ATOM 44 CD ARG P 2 8.911 -0.366 15.710 1.00 0.00 C ATOM 45 NE ARG P 2 10.228 0.286 15.868 1.00 0.00 N ATOM 46 CZ ARG P 2 11.301 0.089 15.122 1.00 0.00 C ATOM 47 NH1 ARG P 2 11.306 -0.744 14.118 1.00 0.00 N ATOM 48 NH2 ARG P 2 12.406 0.730 15.374 1.00 0.00 N ATOM 0 H ARG P 2 5.038 1.067 16.350 1.00 0.00 H new ATOM 0 HA ARG P 2 6.836 2.105 18.364 1.00 0.00 H new ATOM 0 HB2 ARG P 2 7.059 1.695 15.340 1.00 0.00 H new ATOM 0 HB3 ARG P 2 8.381 2.269 16.337 1.00 0.00 H new ATOM 0 HG2 ARG P 2 8.246 0.151 17.697 1.00 0.00 H new ATOM 0 HG3 ARG P 2 6.967 -0.424 16.645 1.00 0.00 H new ATOM 0 HD2 ARG P 2 9.016 -1.438 15.877 1.00 0.00 H new ATOM 0 HD3 ARG P 2 8.564 -0.236 14.685 1.00 0.00 H new ATOM 0 HE ARG P 2 10.318 0.957 16.631 1.00 0.00 H new ATOM 0 HH11 ARG P 2 10.463 -1.269 13.887 1.00 0.00 H new ATOM 0 HH12 ARG P 2 12.153 -0.870 13.564 1.00 0.00 H new ATOM 0 HH21 ARG P 2 12.447 1.389 16.151 1.00 0.00 H new ATOM 0 HH22 ARG P 2 13.230 0.573 14.794 1.00 0.00 H new ATOM 62 N ARG P 3 5.200 4.222 16.606 1.00 0.00 N ATOM 63 CA ARG P 3 4.842 5.637 16.375 1.00 0.00 C ATOM 64 C ARG P 3 3.389 5.908 16.783 1.00 0.00 C ATOM 65 O ARG P 3 2.548 5.009 16.733 1.00 0.00 O ATOM 66 CB ARG P 3 5.066 6.012 14.896 1.00 0.00 C ATOM 67 CG ARG P 3 6.541 5.933 14.469 1.00 0.00 C ATOM 68 CD ARG P 3 6.712 6.386 13.013 1.00 0.00 C ATOM 69 NE ARG P 3 8.121 6.300 12.576 1.00 0.00 N ATOM 70 CZ ARG P 3 9.068 7.211 12.726 1.00 0.00 C ATOM 71 NH1 ARG P 3 8.856 8.351 13.322 1.00 0.00 N ATOM 72 NH2 ARG P 3 10.268 6.990 12.270 1.00 0.00 N ATOM 0 H ARG P 3 4.469 3.586 16.287 1.00 0.00 H new ATOM 0 HA ARG P 3 5.489 6.258 16.995 1.00 0.00 H new ATOM 0 HB2 ARG P 3 4.476 5.347 14.266 1.00 0.00 H new ATOM 0 HB3 ARG P 3 4.698 7.024 14.724 1.00 0.00 H new ATOM 0 HG2 ARG P 3 7.148 6.559 15.123 1.00 0.00 H new ATOM 0 HG3 ARG P 3 6.903 4.911 14.581 1.00 0.00 H new ATOM 0 HD2 ARG P 3 6.091 5.768 12.364 1.00 0.00 H new ATOM 0 HD3 ARG P 3 6.360 7.412 12.907 1.00 0.00 H new ATOM 0 HE ARG P 3 8.395 5.438 12.104 1.00 0.00 H new ATOM 0 HH11 ARG P 3 7.931 8.568 13.694 1.00 0.00 H new ATOM 0 HH12 ARG P 3 9.615 9.026 13.416 1.00 0.00 H new ATOM 0 HH21 ARG P 3 10.480 6.112 11.796 1.00 0.00 H new ATOM 0 HH22 ARG P 3 10.996 7.695 12.387 1.00 0.00 H new ATOM 86 N GLN P 4 3.081 7.156 17.143 1.00 0.00 N ATOM 87 CA GLN P 4 1.728 7.605 17.497 1.00 0.00 C ATOM 88 C GLN P 4 0.898 7.865 16.223 1.00 0.00 C ATOM 89 O GLN P 4 0.810 8.995 15.734 1.00 0.00 O ATOM 90 CB GLN P 4 1.836 8.819 18.442 1.00 0.00 C ATOM 91 CG GLN P 4 0.487 9.309 18.999 1.00 0.00 C ATOM 92 CD GLN P 4 -0.248 8.239 19.805 1.00 0.00 C ATOM 93 OE1 GLN P 4 -1.120 7.540 19.304 1.00 0.00 O ATOM 94 NE2 GLN P 4 0.084 8.046 21.064 1.00 0.00 N ATOM 0 H GLN P 4 3.777 7.899 17.198 1.00 0.00 H new ATOM 0 HA GLN P 4 1.187 6.829 18.039 1.00 0.00 H new ATOM 0 HB2 GLN P 4 2.487 8.559 19.276 1.00 0.00 H new ATOM 0 HB3 GLN P 4 2.315 9.639 17.908 1.00 0.00 H new ATOM 0 HG2 GLN P 4 0.656 10.181 19.631 1.00 0.00 H new ATOM 0 HG3 GLN P 4 -0.146 9.632 18.172 1.00 0.00 H new ATOM 0 HE21 GLN P 4 0.809 8.621 21.494 1.00 0.00 H new ATOM 0 HE22 GLN P 4 -0.383 7.322 21.609 1.00 0.00 H new ATOM 103 N ARG P 5 0.326 6.794 15.658 1.00 0.00 N ATOM 104 CA ARG P 5 -0.455 6.786 14.404 1.00 0.00 C ATOM 105 C ARG P 5 -1.747 5.978 14.553 1.00 0.00 C ATOM 106 O ARG P 5 -1.772 4.955 15.236 1.00 0.00 O ATOM 107 CB ARG P 5 0.399 6.213 13.255 1.00 0.00 C ATOM 108 CG ARG P 5 1.572 7.126 12.863 1.00 0.00 C ATOM 109 CD ARG P 5 2.402 6.494 11.740 1.00 0.00 C ATOM 110 NE ARG P 5 3.464 7.411 11.279 1.00 0.00 N ATOM 111 CZ ARG P 5 4.377 7.162 10.356 1.00 0.00 C ATOM 112 NH1 ARG P 5 4.458 6.010 9.755 1.00 0.00 N ATOM 113 NH2 ARG P 5 5.238 8.077 10.020 1.00 0.00 N ATOM 0 H ARG P 5 0.395 5.867 16.077 1.00 0.00 H new ATOM 0 HA ARG P 5 -0.730 7.815 14.173 1.00 0.00 H new ATOM 0 HB2 ARG P 5 0.788 5.238 13.550 1.00 0.00 H new ATOM 0 HB3 ARG P 5 -0.236 6.052 12.384 1.00 0.00 H new ATOM 0 HG2 ARG P 5 1.192 8.095 12.539 1.00 0.00 H new ATOM 0 HG3 ARG P 5 2.205 7.306 13.732 1.00 0.00 H new ATOM 0 HD2 ARG P 5 2.849 5.565 12.093 1.00 0.00 H new ATOM 0 HD3 ARG P 5 1.752 6.237 10.904 1.00 0.00 H new ATOM 0 HE ARG P 5 3.496 8.331 11.718 1.00 0.00 H new ATOM 0 HH11 ARG P 5 3.804 5.264 9.992 1.00 0.00 H new ATOM 0 HH12 ARG P 5 5.176 5.853 9.047 1.00 0.00 H new ATOM 0 HH21 ARG P 5 5.211 8.992 10.469 1.00 0.00 H new ATOM 0 HH22 ARG P 5 5.940 7.879 9.307 1.00 0.00 H new ATOM 127 N THR P 6 -2.801 6.391 13.846 1.00 0.00 N ATOM 128 CA THR P 6 -4.111 5.706 13.793 1.00 0.00 C ATOM 129 C THR P 6 -4.119 4.592 12.726 1.00 0.00 C ATOM 130 O THR P 6 -4.933 4.562 11.803 1.00 0.00 O ATOM 131 CB THR P 6 -5.256 6.739 13.717 1.00 0.00 C ATOM 132 OG1 THR P 6 -6.510 6.112 13.890 1.00 0.00 O ATOM 133 CG2 THR P 6 -5.292 7.599 12.447 1.00 0.00 C ATOM 0 H THR P 6 -2.774 7.236 13.275 1.00 0.00 H new ATOM 0 HA THR P 6 -4.294 5.166 14.722 1.00 0.00 H new ATOM 0 HB THR P 6 -5.045 7.428 14.535 1.00 0.00 H new ATOM 0 HG1 THR P 6 -7.221 6.784 13.840 1.00 0.00 H new ATOM 0 HG21 THR P 6 -6.134 8.289 12.498 1.00 0.00 H new ATOM 0 HG22 THR P 6 -4.364 8.165 12.364 1.00 0.00 H new ATOM 0 HG23 THR P 6 -5.403 6.955 11.575 1.00 0.00 H new ATOM 141 N HIS P 7 -3.107 3.715 12.796 1.00 0.00 N ATOM 142 CA HIS P 7 -2.727 2.676 11.813 1.00 0.00 C ATOM 143 C HIS P 7 -2.380 3.163 10.389 1.00 0.00 C ATOM 144 O HIS P 7 -1.867 2.370 9.596 1.00 0.00 O ATOM 145 CB HIS P 7 -3.758 1.532 11.808 1.00 0.00 C ATOM 146 CG HIS P 7 -3.930 0.870 13.154 1.00 0.00 C ATOM 147 ND1 HIS P 7 -5.005 1.063 14.029 1.00 0.00 N ATOM 148 CD2 HIS P 7 -3.052 -0.006 13.724 1.00 0.00 C ATOM 149 CE1 HIS P 7 -4.748 0.298 15.105 1.00 0.00 C ATOM 150 NE2 HIS P 7 -3.581 -0.354 14.948 1.00 0.00 N ATOM 0 H HIS P 7 -2.481 3.709 13.602 1.00 0.00 H new ATOM 0 HA HIS P 7 -1.768 2.301 12.170 1.00 0.00 H new ATOM 0 HB2 HIS P 7 -4.721 1.923 11.479 1.00 0.00 H new ATOM 0 HB3 HIS P 7 -3.452 0.781 11.079 1.00 0.00 H new ATOM 0 HD2 HIS P 7 -2.124 -0.358 13.299 1.00 0.00 H new ATOM 0 HE1 HIS P 7 -5.387 0.218 15.972 1.00 0.00 H new ATOM 0 HE2 HIS P 7 -3.160 -0.996 15.620 1.00 0.00 H new ATOM 158 N PHE P 8 -2.585 4.447 10.077 1.00 0.00 N ATOM 159 CA PHE P 8 -2.265 5.091 8.800 1.00 0.00 C ATOM 160 C PHE P 8 -1.721 6.515 8.994 1.00 0.00 C ATOM 161 O PHE P 8 -1.870 7.111 10.066 1.00 0.00 O ATOM 162 CB PHE P 8 -3.519 5.143 7.913 1.00 0.00 C ATOM 163 CG PHE P 8 -4.180 3.800 7.685 1.00 0.00 C ATOM 164 CD1 PHE P 8 -3.709 2.950 6.671 1.00 0.00 C ATOM 165 CD2 PHE P 8 -5.232 3.381 8.523 1.00 0.00 C ATOM 166 CE1 PHE P 8 -4.282 1.677 6.501 1.00 0.00 C ATOM 167 CE2 PHE P 8 -5.787 2.100 8.371 1.00 0.00 C ATOM 168 CZ PHE P 8 -5.304 1.246 7.366 1.00 0.00 C ATOM 0 H PHE P 8 -3.000 5.098 10.743 1.00 0.00 H new ATOM 0 HA PHE P 8 -1.488 4.496 8.320 1.00 0.00 H new ATOM 0 HB2 PHE P 8 -4.243 5.818 8.368 1.00 0.00 H new ATOM 0 HB3 PHE P 8 -3.249 5.570 6.947 1.00 0.00 H new ATOM 0 HD1 PHE P 8 -2.908 3.273 6.023 1.00 0.00 H new ATOM 0 HD2 PHE P 8 -5.612 4.046 9.284 1.00 0.00 H new ATOM 0 HE1 PHE P 8 -3.938 1.031 5.707 1.00 0.00 H new ATOM 0 HE2 PHE P 8 -6.582 1.773 9.024 1.00 0.00 H new ATOM 0 HZ PHE P 8 -5.719 0.255 7.257 1.00 0.00 H new ATOM 178 N THR P 9 -1.140 7.082 7.934 1.00 0.00 N ATOM 179 CA THR P 9 -0.744 8.500 7.839 1.00 0.00 C ATOM 180 C THR P 9 -1.674 9.278 6.913 1.00 0.00 C ATOM 181 O THR P 9 -2.308 8.706 6.021 1.00 0.00 O ATOM 182 CB THR P 9 0.706 8.688 7.349 1.00 0.00 C ATOM 183 OG1 THR P 9 0.794 8.542 5.947 1.00 0.00 O ATOM 184 CG2 THR P 9 1.682 7.706 7.986 1.00 0.00 C ATOM 0 H THR P 9 -0.923 6.555 7.088 1.00 0.00 H new ATOM 0 HA THR P 9 -0.818 8.889 8.855 1.00 0.00 H new ATOM 0 HB THR P 9 0.982 9.699 7.648 1.00 0.00 H new ATOM 0 HG1 THR P 9 1.723 8.668 5.663 1.00 0.00 H new ATOM 0 HG21 THR P 9 2.685 7.889 7.601 1.00 0.00 H new ATOM 0 HG22 THR P 9 1.679 7.840 9.068 1.00 0.00 H new ATOM 0 HG23 THR P 9 1.381 6.686 7.745 1.00 0.00 H new ATOM 192 N SER P 10 -1.685 10.606 7.041 1.00 0.00 N ATOM 193 CA SER P 10 -2.439 11.508 6.156 1.00 0.00 C ATOM 194 C SER P 10 -2.029 11.431 4.676 1.00 0.00 C ATOM 195 O SER P 10 -2.757 11.954 3.833 1.00 0.00 O ATOM 196 CB SER P 10 -2.327 12.955 6.644 1.00 0.00 C ATOM 197 OG SER P 10 -2.587 13.047 8.040 1.00 0.00 O ATOM 0 H SER P 10 -1.166 11.095 7.770 1.00 0.00 H new ATOM 0 HA SER P 10 -3.473 11.166 6.207 1.00 0.00 H new ATOM 0 HB2 SER P 10 -1.329 13.338 6.431 1.00 0.00 H new ATOM 0 HB3 SER P 10 -3.032 13.582 6.098 1.00 0.00 H new ATOM 0 HG SER P 10 -2.507 13.981 8.327 1.00 0.00 H new ATOM 203 N GLN P 11 -0.910 10.770 4.342 1.00 0.00 N ATOM 204 CA GLN P 11 -0.469 10.490 2.970 1.00 0.00 C ATOM 205 C GLN P 11 -0.891 9.088 2.488 1.00 0.00 C ATOM 206 O GLN P 11 -1.368 8.949 1.362 1.00 0.00 O ATOM 207 CB GLN P 11 1.053 10.698 2.894 1.00 0.00 C ATOM 208 CG GLN P 11 1.583 10.651 1.453 1.00 0.00 C ATOM 209 CD GLN P 11 3.084 10.929 1.392 1.00 0.00 C ATOM 210 OE1 GLN P 11 3.912 10.027 1.338 1.00 0.00 O ATOM 211 NE2 GLN P 11 3.502 12.179 1.411 1.00 0.00 N ATOM 0 H GLN P 11 -0.267 10.404 5.044 1.00 0.00 H new ATOM 0 HA GLN P 11 -0.963 11.184 2.290 1.00 0.00 H new ATOM 0 HB2 GLN P 11 1.308 11.659 3.340 1.00 0.00 H new ATOM 0 HB3 GLN P 11 1.551 9.930 3.486 1.00 0.00 H new ATOM 0 HG2 GLN P 11 1.377 9.672 1.022 1.00 0.00 H new ATOM 0 HG3 GLN P 11 1.052 11.385 0.846 1.00 0.00 H new ATOM 0 HE21 GLN P 11 2.827 12.942 1.456 1.00 0.00 H new ATOM 0 HE22 GLN P 11 4.501 12.383 1.381 1.00 0.00 H new ATOM 220 N GLN P 12 -0.789 8.052 3.333 1.00 0.00 N ATOM 221 CA GLN P 12 -1.186 6.673 2.985 1.00 0.00 C ATOM 222 C GLN P 12 -2.676 6.583 2.636 1.00 0.00 C ATOM 223 O GLN P 12 -3.062 5.937 1.660 1.00 0.00 O ATOM 224 CB GLN P 12 -0.903 5.736 4.167 1.00 0.00 C ATOM 225 CG GLN P 12 0.595 5.517 4.388 1.00 0.00 C ATOM 226 CD GLN P 12 0.882 4.686 5.635 1.00 0.00 C ATOM 227 OE1 GLN P 12 0.176 4.730 6.629 1.00 0.00 O ATOM 228 NE2 GLN P 12 1.930 3.899 5.629 1.00 0.00 N ATOM 0 H GLN P 12 -0.428 8.144 4.282 1.00 0.00 H new ATOM 0 HA GLN P 12 -0.604 6.376 2.112 1.00 0.00 H new ATOM 0 HB2 GLN P 12 -1.344 6.153 5.072 1.00 0.00 H new ATOM 0 HB3 GLN P 12 -1.386 4.775 3.990 1.00 0.00 H new ATOM 0 HG2 GLN P 12 1.019 5.018 3.517 1.00 0.00 H new ATOM 0 HG3 GLN P 12 1.092 6.483 4.476 1.00 0.00 H new ATOM 0 HE21 GLN P 12 2.528 3.853 4.804 1.00 0.00 H new ATOM 0 HE22 GLN P 12 2.147 3.333 6.449 1.00 0.00 H new ATOM 237 N LEU P 13 -3.504 7.298 3.403 1.00 0.00 N ATOM 238 CA LEU P 13 -4.954 7.398 3.208 1.00 0.00 C ATOM 239 C LEU P 13 -5.342 7.929 1.816 1.00 0.00 C ATOM 240 O LEU P 13 -6.379 7.541 1.276 1.00 0.00 O ATOM 241 CB LEU P 13 -5.512 8.321 4.301 1.00 0.00 C ATOM 242 CG LEU P 13 -5.362 7.765 5.734 1.00 0.00 C ATOM 243 CD1 LEU P 13 -5.607 8.876 6.749 1.00 0.00 C ATOM 244 CD2 LEU P 13 -6.317 6.610 5.998 1.00 0.00 C ATOM 0 H LEU P 13 -3.174 7.840 4.201 1.00 0.00 H new ATOM 0 HA LEU P 13 -5.380 6.397 3.276 1.00 0.00 H new ATOM 0 HB2 LEU P 13 -5.005 9.284 4.242 1.00 0.00 H new ATOM 0 HB3 LEU P 13 -6.568 8.504 4.103 1.00 0.00 H new ATOM 0 HG LEU P 13 -4.345 7.386 5.836 1.00 0.00 H new ATOM 0 HD11 LEU P 13 -5.500 8.477 7.758 1.00 0.00 H new ATOM 0 HD12 LEU P 13 -4.882 9.675 6.596 1.00 0.00 H new ATOM 0 HD13 LEU P 13 -6.615 9.271 6.620 1.00 0.00 H new ATOM 0 HD21 LEU P 13 -6.178 6.249 7.017 1.00 0.00 H new ATOM 0 HD22 LEU P 13 -7.344 6.951 5.871 1.00 0.00 H new ATOM 0 HD23 LEU P 13 -6.113 5.802 5.296 1.00 0.00 H new ATOM 256 N GLN P 14 -4.497 8.773 1.216 1.00 0.00 N ATOM 257 CA GLN P 14 -4.718 9.319 -0.129 1.00 0.00 C ATOM 258 C GLN P 14 -4.523 8.248 -1.208 1.00 0.00 C ATOM 259 O GLN P 14 -5.319 8.160 -2.141 1.00 0.00 O ATOM 260 CB GLN P 14 -3.790 10.515 -0.414 1.00 0.00 C ATOM 261 CG GLN P 14 -3.717 11.561 0.706 1.00 0.00 C ATOM 262 CD GLN P 14 -5.067 12.134 1.135 1.00 0.00 C ATOM 263 OE1 GLN P 14 -5.993 12.318 0.355 1.00 0.00 O ATOM 264 NE2 GLN P 14 -5.217 12.451 2.402 1.00 0.00 N ATOM 0 H GLN P 14 -3.634 9.099 1.652 1.00 0.00 H new ATOM 0 HA GLN P 14 -5.751 9.664 -0.161 1.00 0.00 H new ATOM 0 HB2 GLN P 14 -2.785 10.138 -0.605 1.00 0.00 H new ATOM 0 HB3 GLN P 14 -4.125 11.006 -1.328 1.00 0.00 H new ATOM 0 HG2 GLN P 14 -3.237 11.110 1.574 1.00 0.00 H new ATOM 0 HG3 GLN P 14 -3.078 12.381 0.378 1.00 0.00 H new ATOM 0 HE21 GLN P 14 -4.451 12.301 3.059 1.00 0.00 H new ATOM 0 HE22 GLN P 14 -6.099 12.846 2.728 1.00 0.00 H new ATOM 273 N GLU P 15 -3.501 7.396 -1.069 1.00 0.00 N ATOM 274 CA GLU P 15 -3.240 6.298 -2.009 1.00 0.00 C ATOM 275 C GLU P 15 -4.286 5.185 -1.893 1.00 0.00 C ATOM 276 O GLU P 15 -4.674 4.589 -2.899 1.00 0.00 O ATOM 277 CB GLU P 15 -1.826 5.731 -1.806 1.00 0.00 C ATOM 278 CG GLU P 15 -0.707 6.784 -1.860 1.00 0.00 C ATOM 279 CD GLU P 15 -0.758 7.703 -3.101 1.00 0.00 C ATOM 280 OE1 GLU P 15 -1.053 7.225 -4.223 1.00 0.00 O ATOM 281 OE2 GLU P 15 -0.479 8.919 -2.963 1.00 0.00 O ATOM 0 H GLU P 15 -2.831 7.448 -0.302 1.00 0.00 H new ATOM 0 HA GLU P 15 -3.311 6.711 -3.015 1.00 0.00 H new ATOM 0 HB2 GLU P 15 -1.786 5.224 -0.842 1.00 0.00 H new ATOM 0 HB3 GLU P 15 -1.637 4.977 -2.570 1.00 0.00 H new ATOM 0 HG2 GLU P 15 -0.761 7.401 -0.963 1.00 0.00 H new ATOM 0 HG3 GLU P 15 0.256 6.275 -1.839 1.00 0.00 H new ATOM 288 N LEU P 16 -4.802 4.957 -0.681 1.00 0.00 N ATOM 289 CA LEU P 16 -5.909 4.043 -0.416 1.00 0.00 C ATOM 290 C LEU P 16 -7.209 4.522 -1.080 1.00 0.00 C ATOM 291 O LEU P 16 -7.810 3.771 -1.849 1.00 0.00 O ATOM 292 CB LEU P 16 -6.057 3.888 1.104 1.00 0.00 C ATOM 293 CG LEU P 16 -4.945 3.022 1.721 1.00 0.00 C ATOM 294 CD1 LEU P 16 -4.781 3.332 3.203 1.00 0.00 C ATOM 295 CD2 LEU P 16 -5.268 1.537 1.560 1.00 0.00 C ATOM 0 H LEU P 16 -4.451 5.415 0.160 1.00 0.00 H new ATOM 0 HA LEU P 16 -5.694 3.068 -0.854 1.00 0.00 H new ATOM 0 HB2 LEU P 16 -6.045 4.874 1.569 1.00 0.00 H new ATOM 0 HB3 LEU P 16 -7.026 3.442 1.327 1.00 0.00 H new ATOM 0 HG LEU P 16 -4.017 3.252 1.197 1.00 0.00 H new ATOM 0 HD11 LEU P 16 -3.990 2.709 3.620 1.00 0.00 H new ATOM 0 HD12 LEU P 16 -4.519 4.383 3.328 1.00 0.00 H new ATOM 0 HD13 LEU P 16 -5.717 3.127 3.723 1.00 0.00 H new ATOM 0 HD21 LEU P 16 -4.470 0.941 2.003 1.00 0.00 H new ATOM 0 HD22 LEU P 16 -6.209 1.313 2.062 1.00 0.00 H new ATOM 0 HD23 LEU P 16 -5.356 1.296 0.500 1.00 0.00 H new ATOM 307 N GLU P 17 -7.622 5.780 -0.879 1.00 0.00 N ATOM 308 CA GLU P 17 -8.844 6.281 -1.531 1.00 0.00 C ATOM 309 C GLU P 17 -8.703 6.551 -3.037 1.00 0.00 C ATOM 310 O GLU P 17 -9.708 6.536 -3.750 1.00 0.00 O ATOM 311 CB GLU P 17 -9.487 7.439 -0.757 1.00 0.00 C ATOM 312 CG GLU P 17 -8.911 8.845 -0.965 1.00 0.00 C ATOM 313 CD GLU P 17 -9.791 9.917 -0.279 1.00 0.00 C ATOM 314 OE1 GLU P 17 -10.571 9.585 0.652 1.00 0.00 O ATOM 315 OE2 GLU P 17 -9.731 11.100 -0.690 1.00 0.00 O ATOM 0 H GLU P 17 -7.143 6.457 -0.285 1.00 0.00 H new ATOM 0 HA GLU P 17 -9.550 5.452 -1.485 1.00 0.00 H new ATOM 0 HB2 GLU P 17 -10.545 7.469 -1.017 1.00 0.00 H new ATOM 0 HB3 GLU P 17 -9.426 7.206 0.306 1.00 0.00 H new ATOM 0 HG2 GLU P 17 -7.899 8.889 -0.563 1.00 0.00 H new ATOM 0 HG3 GLU P 17 -8.840 9.058 -2.032 1.00 0.00 H new ATOM 322 N ALA P 18 -7.478 6.718 -3.545 1.00 0.00 N ATOM 323 CA ALA P 18 -7.195 6.761 -4.980 1.00 0.00 C ATOM 324 C ALA P 18 -7.258 5.362 -5.621 1.00 0.00 C ATOM 325 O ALA P 18 -7.930 5.185 -6.639 1.00 0.00 O ATOM 326 CB ALA P 18 -5.837 7.432 -5.211 1.00 0.00 C ATOM 0 H ALA P 18 -6.647 6.828 -2.964 1.00 0.00 H new ATOM 0 HA ALA P 18 -7.968 7.353 -5.470 1.00 0.00 H new ATOM 0 HB1 ALA P 18 -5.624 7.465 -6.280 1.00 0.00 H new ATOM 0 HB2 ALA P 18 -5.860 8.447 -4.814 1.00 0.00 H new ATOM 0 HB3 ALA P 18 -5.059 6.862 -4.704 1.00 0.00 H new ATOM 332 N THR P 19 -6.630 4.340 -5.024 1.00 0.00 N ATOM 333 CA THR P 19 -6.664 2.977 -5.589 1.00 0.00 C ATOM 334 C THR P 19 -8.043 2.313 -5.452 1.00 0.00 C ATOM 335 O THR P 19 -8.411 1.479 -6.276 1.00 0.00 O ATOM 336 CB THR P 19 -5.520 2.096 -5.070 1.00 0.00 C ATOM 337 OG1 THR P 19 -5.302 1.049 -5.999 1.00 0.00 O ATOM 338 CG2 THR P 19 -5.783 1.483 -3.697 1.00 0.00 C ATOM 0 H THR P 19 -6.097 4.425 -4.159 1.00 0.00 H new ATOM 0 HA THR P 19 -6.494 3.086 -6.660 1.00 0.00 H new ATOM 0 HB THR P 19 -4.649 2.742 -4.962 1.00 0.00 H new ATOM 0 HG1 THR P 19 -6.164 0.702 -6.309 1.00 0.00 H new ATOM 0 HG21 THR P 19 -4.929 0.875 -3.400 1.00 0.00 H new ATOM 0 HG22 THR P 19 -5.934 2.278 -2.966 1.00 0.00 H new ATOM 0 HG23 THR P 19 -6.675 0.858 -3.742 1.00 0.00 H new ATOM 346 N PHE P 20 -8.857 2.757 -4.490 1.00 0.00 N ATOM 347 CA PHE P 20 -10.274 2.406 -4.343 1.00 0.00 C ATOM 348 C PHE P 20 -11.112 2.789 -5.581 1.00 0.00 C ATOM 349 O PHE P 20 -12.135 2.160 -5.845 1.00 0.00 O ATOM 350 CB PHE P 20 -10.784 3.081 -3.055 1.00 0.00 C ATOM 351 CG PHE P 20 -12.261 2.963 -2.702 1.00 0.00 C ATOM 352 CD1 PHE P 20 -12.950 1.740 -2.826 1.00 0.00 C ATOM 353 CD2 PHE P 20 -12.939 4.085 -2.181 1.00 0.00 C ATOM 354 CE1 PHE P 20 -14.302 1.643 -2.448 1.00 0.00 C ATOM 355 CE2 PHE P 20 -14.291 3.989 -1.802 1.00 0.00 C ATOM 356 CZ PHE P 20 -14.973 2.767 -1.936 1.00 0.00 C ATOM 0 H PHE P 20 -8.535 3.396 -3.763 1.00 0.00 H new ATOM 0 HA PHE P 20 -10.381 1.324 -4.265 1.00 0.00 H new ATOM 0 HB2 PHE P 20 -10.212 2.676 -2.221 1.00 0.00 H new ATOM 0 HB3 PHE P 20 -10.544 4.142 -3.121 1.00 0.00 H new ATOM 0 HD1 PHE P 20 -12.437 0.872 -3.213 1.00 0.00 H new ATOM 0 HD2 PHE P 20 -12.417 5.024 -2.072 1.00 0.00 H new ATOM 0 HE1 PHE P 20 -14.825 0.704 -2.551 1.00 0.00 H new ATOM 0 HE2 PHE P 20 -14.804 4.854 -1.408 1.00 0.00 H new ATOM 0 HZ PHE P 20 -16.011 2.692 -1.646 1.00 0.00 H new ATOM 366 N GLN P 21 -10.664 3.762 -6.389 1.00 0.00 N ATOM 367 CA GLN P 21 -11.350 4.154 -7.627 1.00 0.00 C ATOM 368 C GLN P 21 -11.099 3.175 -8.791 1.00 0.00 C ATOM 369 O GLN P 21 -12.023 2.884 -9.555 1.00 0.00 O ATOM 370 CB GLN P 21 -10.943 5.578 -8.043 1.00 0.00 C ATOM 371 CG GLN P 21 -11.074 6.655 -6.954 1.00 0.00 C ATOM 372 CD GLN P 21 -12.396 6.605 -6.194 1.00 0.00 C ATOM 373 OE1 GLN P 21 -13.482 6.611 -6.760 1.00 0.00 O ATOM 374 NE2 GLN P 21 -12.352 6.545 -4.881 1.00 0.00 N ATOM 0 H GLN P 21 -9.817 4.298 -6.202 1.00 0.00 H new ATOM 0 HA GLN P 21 -12.418 4.126 -7.409 1.00 0.00 H new ATOM 0 HB2 GLN P 21 -9.908 5.555 -8.383 1.00 0.00 H new ATOM 0 HB3 GLN P 21 -11.552 5.875 -8.897 1.00 0.00 H new ATOM 0 HG2 GLN P 21 -10.254 6.543 -6.245 1.00 0.00 H new ATOM 0 HG3 GLN P 21 -10.967 7.638 -7.413 1.00 0.00 H new ATOM 0 HE21 GLN P 21 -11.452 6.539 -4.401 1.00 0.00 H new ATOM 0 HE22 GLN P 21 -13.218 6.504 -4.343 1.00 0.00 H new ATOM 383 N ARG P 22 -9.870 2.646 -8.918 1.00 0.00 N ATOM 384 CA ARG P 22 -9.483 1.641 -9.936 1.00 0.00 C ATOM 385 C ARG P 22 -9.834 0.207 -9.526 1.00 0.00 C ATOM 386 O ARG P 22 -10.033 -0.643 -10.394 1.00 0.00 O ATOM 387 CB ARG P 22 -7.990 1.768 -10.312 1.00 0.00 C ATOM 388 CG ARG P 22 -7.031 1.624 -9.117 1.00 0.00 C ATOM 389 CD ARG P 22 -5.544 1.665 -9.486 1.00 0.00 C ATOM 390 NE ARG P 22 -5.071 0.389 -10.065 1.00 0.00 N ATOM 391 CZ ARG P 22 -4.356 -0.550 -9.462 1.00 0.00 C ATOM 392 NH1 ARG P 22 -4.042 -0.542 -8.199 1.00 0.00 N ATOM 393 NH2 ARG P 22 -3.907 -1.573 -10.124 1.00 0.00 N ATOM 0 H ARG P 22 -9.098 2.908 -8.305 1.00 0.00 H new ATOM 0 HA ARG P 22 -10.077 1.860 -10.823 1.00 0.00 H new ATOM 0 HB2 ARG P 22 -7.747 1.008 -11.054 1.00 0.00 H new ATOM 0 HB3 ARG P 22 -7.825 2.737 -10.783 1.00 0.00 H new ATOM 0 HG2 ARG P 22 -7.237 2.422 -8.404 1.00 0.00 H new ATOM 0 HG3 ARG P 22 -7.241 0.682 -8.611 1.00 0.00 H new ATOM 0 HD2 ARG P 22 -5.372 2.471 -10.200 1.00 0.00 H new ATOM 0 HD3 ARG P 22 -4.958 1.896 -8.597 1.00 0.00 H new ATOM 0 HE ARG P 22 -5.323 0.212 -11.037 1.00 0.00 H new ATOM 0 HH11 ARG P 22 -4.351 0.225 -7.602 1.00 0.00 H new ATOM 0 HH12 ARG P 22 -3.487 -1.303 -7.807 1.00 0.00 H new ATOM 0 HH21 ARG P 22 -4.103 -1.661 -11.121 1.00 0.00 H new ATOM 0 HH22 ARG P 22 -3.358 -2.288 -9.647 1.00 0.00 H new ATOM 407 N ASN P 23 -9.923 -0.057 -8.221 1.00 0.00 N ATOM 408 CA ASN P 23 -10.207 -1.370 -7.653 1.00 0.00 C ATOM 409 C ASN P 23 -11.146 -1.238 -6.446 1.00 0.00 C ATOM 410 O ASN P 23 -10.734 -0.794 -5.379 1.00 0.00 O ATOM 411 CB ASN P 23 -8.867 -2.031 -7.276 1.00 0.00 C ATOM 412 CG ASN P 23 -9.030 -3.495 -6.901 1.00 0.00 C ATOM 413 OD1 ASN P 23 -10.119 -4.000 -6.668 1.00 0.00 O ATOM 414 ND2 ASN P 23 -7.945 -4.230 -6.862 1.00 0.00 N ATOM 0 H ASN P 23 -9.795 0.663 -7.510 1.00 0.00 H new ATOM 0 HA ASN P 23 -10.719 -2.001 -8.379 1.00 0.00 H new ATOM 0 HB2 ASN P 23 -8.175 -1.948 -8.114 1.00 0.00 H new ATOM 0 HB3 ASN P 23 -8.421 -1.492 -6.440 1.00 0.00 H new ATOM 0 HD21 ASN P 23 -8.009 -5.223 -6.637 1.00 0.00 H new ATOM 0 HD22 ASN P 23 -7.037 -3.809 -7.056 1.00 0.00 H new ATOM 421 N HIS P 24 -12.408 -1.645 -6.605 1.00 0.00 N ATOM 422 CA HIS P 24 -13.432 -1.556 -5.551 1.00 0.00 C ATOM 423 C HIS P 24 -13.452 -2.790 -4.625 1.00 0.00 C ATOM 424 O HIS P 24 -14.195 -2.805 -3.640 1.00 0.00 O ATOM 425 CB HIS P 24 -14.803 -1.299 -6.203 1.00 0.00 C ATOM 426 CG HIS P 24 -14.993 0.087 -6.791 1.00 0.00 C ATOM 427 ND1 HIS P 24 -16.015 0.975 -6.436 1.00 0.00 N ATOM 428 CD2 HIS P 24 -14.244 0.663 -7.780 1.00 0.00 C ATOM 429 CE1 HIS P 24 -15.846 2.066 -7.204 1.00 0.00 C ATOM 430 NE2 HIS P 24 -14.791 1.904 -8.019 1.00 0.00 N ATOM 0 H HIS P 24 -12.755 -2.050 -7.475 1.00 0.00 H new ATOM 0 HA HIS P 24 -13.181 -0.719 -4.900 1.00 0.00 H new ATOM 0 HB2 HIS P 24 -14.955 -2.035 -6.993 1.00 0.00 H new ATOM 0 HB3 HIS P 24 -15.579 -1.468 -5.457 1.00 0.00 H new ATOM 0 HD2 HIS P 24 -13.389 0.229 -8.277 1.00 0.00 H new ATOM 0 HE1 HIS P 24 -16.470 2.947 -7.170 1.00 0.00 H new ATOM 0 HE2 HIS P 24 -14.452 2.584 -8.699 1.00 0.00 H new ATOM 438 N TYR P 25 -12.681 -3.838 -4.935 1.00 0.00 N ATOM 439 CA TYR P 25 -12.692 -5.136 -4.239 1.00 0.00 C ATOM 440 C TYR P 25 -11.328 -5.866 -4.350 1.00 0.00 C ATOM 441 O TYR P 25 -11.237 -6.928 -4.973 1.00 0.00 O ATOM 442 CB TYR P 25 -13.889 -5.982 -4.743 1.00 0.00 C ATOM 443 CG TYR P 25 -14.134 -6.000 -6.248 1.00 0.00 C ATOM 444 CD1 TYR P 25 -14.979 -5.032 -6.830 1.00 0.00 C ATOM 445 CD2 TYR P 25 -13.548 -6.987 -7.066 1.00 0.00 C ATOM 446 CE1 TYR P 25 -15.203 -5.021 -8.221 1.00 0.00 C ATOM 447 CE2 TYR P 25 -13.771 -6.984 -8.458 1.00 0.00 C ATOM 448 CZ TYR P 25 -14.595 -5.997 -9.040 1.00 0.00 C ATOM 449 OH TYR P 25 -14.804 -6.000 -10.386 1.00 0.00 O ATOM 0 H TYR P 25 -12.009 -3.808 -5.702 1.00 0.00 H new ATOM 0 HA TYR P 25 -12.833 -4.970 -3.171 1.00 0.00 H new ATOM 0 HB2 TYR P 25 -13.742 -7.010 -4.411 1.00 0.00 H new ATOM 0 HB3 TYR P 25 -14.793 -5.615 -4.256 1.00 0.00 H new ATOM 0 HD1 TYR P 25 -15.458 -4.293 -6.204 1.00 0.00 H new ATOM 0 HD2 TYR P 25 -12.925 -7.750 -6.624 1.00 0.00 H new ATOM 0 HE1 TYR P 25 -15.839 -4.267 -8.660 1.00 0.00 H new ATOM 0 HE2 TYR P 25 -13.311 -7.738 -9.080 1.00 0.00 H new ATOM 0 HH TYR P 25 -14.307 -6.741 -10.792 1.00 0.00 H new ATOM 459 N PRO P 26 -10.240 -5.321 -3.765 1.00 0.00 N ATOM 460 CA PRO P 26 -8.911 -5.920 -3.869 1.00 0.00 C ATOM 461 C PRO P 26 -8.809 -7.262 -3.126 1.00 0.00 C ATOM 462 O PRO P 26 -9.525 -7.533 -2.156 1.00 0.00 O ATOM 463 CB PRO P 26 -7.941 -4.862 -3.337 1.00 0.00 C ATOM 464 CG PRO P 26 -8.787 -4.128 -2.303 1.00 0.00 C ATOM 465 CD PRO P 26 -10.175 -4.114 -2.950 1.00 0.00 C ATOM 0 HA PRO P 26 -8.672 -6.181 -4.900 1.00 0.00 H new ATOM 0 HB2 PRO P 26 -7.055 -5.312 -2.890 1.00 0.00 H new ATOM 0 HB3 PRO P 26 -7.596 -4.194 -4.127 1.00 0.00 H new ATOM 0 HG2 PRO P 26 -8.793 -4.646 -1.344 1.00 0.00 H new ATOM 0 HG3 PRO P 26 -8.416 -3.120 -2.119 1.00 0.00 H new ATOM 0 HD2 PRO P 26 -10.960 -4.109 -2.194 1.00 0.00 H new ATOM 0 HD3 PRO P 26 -10.314 -3.221 -3.560 1.00 0.00 H new ATOM 473 N ASP P 27 -7.873 -8.091 -3.580 1.00 0.00 N ATOM 474 CA ASP P 27 -7.595 -9.464 -3.125 1.00 0.00 C ATOM 475 C ASP P 27 -6.172 -9.556 -2.558 1.00 0.00 C ATOM 476 O ASP P 27 -5.431 -8.583 -2.628 1.00 0.00 O ATOM 477 CB ASP P 27 -7.798 -10.428 -4.308 1.00 0.00 C ATOM 478 CG ASP P 27 -7.839 -11.920 -3.925 1.00 0.00 C ATOM 479 OD1 ASP P 27 -8.024 -12.247 -2.728 1.00 0.00 O ATOM 480 OD2 ASP P 27 -7.677 -12.772 -4.830 1.00 0.00 O ATOM 0 H ASP P 27 -7.240 -7.808 -4.328 1.00 0.00 H new ATOM 0 HA ASP P 27 -8.281 -9.742 -2.325 1.00 0.00 H new ATOM 0 HB2 ASP P 27 -8.729 -10.171 -4.812 1.00 0.00 H new ATOM 0 HB3 ASP P 27 -6.993 -10.274 -5.027 1.00 0.00 H new ATOM 485 N MET P 28 -5.738 -10.705 -2.037 1.00 0.00 N ATOM 486 CA MET P 28 -4.381 -10.881 -1.481 1.00 0.00 C ATOM 487 C MET P 28 -3.257 -10.355 -2.398 1.00 0.00 C ATOM 488 O MET P 28 -2.266 -9.821 -1.905 1.00 0.00 O ATOM 489 CB MET P 28 -4.132 -12.357 -1.127 1.00 0.00 C ATOM 490 CG MET P 28 -4.161 -13.308 -2.335 1.00 0.00 C ATOM 491 SD MET P 28 -3.537 -14.979 -2.007 1.00 0.00 S ATOM 492 CE MET P 28 -1.755 -14.622 -2.016 1.00 0.00 C ATOM 0 H MET P 28 -6.313 -11.546 -1.985 1.00 0.00 H new ATOM 0 HA MET P 28 -4.346 -10.272 -0.578 1.00 0.00 H new ATOM 0 HB2 MET P 28 -3.163 -12.443 -0.635 1.00 0.00 H new ATOM 0 HB3 MET P 28 -4.885 -12.679 -0.407 1.00 0.00 H new ATOM 0 HG2 MET P 28 -5.187 -13.383 -2.695 1.00 0.00 H new ATOM 0 HG3 MET P 28 -3.572 -12.868 -3.140 1.00 0.00 H new ATOM 0 HE1 MET P 28 -1.265 -15.233 -2.774 1.00 0.00 H new ATOM 0 HE2 MET P 28 -1.596 -13.567 -2.242 1.00 0.00 H new ATOM 0 HE3 MET P 28 -1.333 -14.851 -1.037 1.00 0.00 H new ATOM 502 N SER P 29 -3.428 -10.434 -3.722 1.00 0.00 N ATOM 503 CA SER P 29 -2.427 -9.971 -4.695 1.00 0.00 C ATOM 504 C SER P 29 -2.470 -8.451 -4.897 1.00 0.00 C ATOM 505 O SER P 29 -1.427 -7.798 -4.945 1.00 0.00 O ATOM 506 CB SER P 29 -2.617 -10.681 -6.041 1.00 0.00 C ATOM 507 OG SER P 29 -2.559 -12.092 -5.875 1.00 0.00 O ATOM 0 H SER P 29 -4.267 -10.822 -4.153 1.00 0.00 H new ATOM 0 HA SER P 29 -1.448 -10.222 -4.286 1.00 0.00 H new ATOM 0 HB2 SER P 29 -3.577 -10.400 -6.474 1.00 0.00 H new ATOM 0 HB3 SER P 29 -1.845 -10.360 -6.740 1.00 0.00 H new ATOM 0 HG SER P 29 -2.684 -12.529 -6.743 1.00 0.00 H new ATOM 513 N THR P 30 -3.670 -7.864 -4.983 1.00 0.00 N ATOM 514 CA THR P 30 -3.868 -6.419 -5.199 1.00 0.00 C ATOM 515 C THR P 30 -3.760 -5.600 -3.913 1.00 0.00 C ATOM 516 O THR P 30 -3.217 -4.502 -3.942 1.00 0.00 O ATOM 517 CB THR P 30 -5.182 -6.109 -5.931 1.00 0.00 C ATOM 518 OG1 THR P 30 -6.189 -7.057 -5.661 1.00 0.00 O ATOM 519 CG2 THR P 30 -4.979 -6.105 -7.445 1.00 0.00 C ATOM 0 H THR P 30 -4.544 -8.383 -4.904 1.00 0.00 H new ATOM 0 HA THR P 30 -3.045 -6.113 -5.845 1.00 0.00 H new ATOM 0 HB THR P 30 -5.490 -5.128 -5.568 1.00 0.00 H new ATOM 0 HG1 THR P 30 -6.947 -6.910 -6.264 1.00 0.00 H new ATOM 0 HG21 THR P 30 -5.925 -5.883 -7.938 1.00 0.00 H new ATOM 0 HG22 THR P 30 -4.244 -5.346 -7.712 1.00 0.00 H new ATOM 0 HG23 THR P 30 -4.623 -7.084 -7.767 1.00 0.00 H new ATOM 527 N ARG P 31 -4.178 -6.132 -2.761 1.00 0.00 N ATOM 528 CA ARG P 31 -3.921 -5.536 -1.440 1.00 0.00 C ATOM 529 C ARG P 31 -2.420 -5.357 -1.197 1.00 0.00 C ATOM 530 O ARG P 31 -1.995 -4.285 -0.776 1.00 0.00 O ATOM 531 CB ARG P 31 -4.519 -6.430 -0.337 1.00 0.00 C ATOM 532 CG ARG P 31 -6.055 -6.477 -0.325 1.00 0.00 C ATOM 533 CD ARG P 31 -6.570 -7.529 0.668 1.00 0.00 C ATOM 534 NE ARG P 31 -7.920 -7.997 0.298 1.00 0.00 N ATOM 535 CZ ARG P 31 -8.419 -9.206 0.467 1.00 0.00 C ATOM 536 NH1 ARG P 31 -7.794 -10.143 1.122 1.00 0.00 N ATOM 537 NH2 ARG P 31 -9.574 -9.495 -0.052 1.00 0.00 N ATOM 0 H ARG P 31 -4.712 -7.000 -2.715 1.00 0.00 H new ATOM 0 HA ARG P 31 -4.393 -4.554 -1.414 1.00 0.00 H new ATOM 0 HB2 ARG P 31 -4.137 -7.443 -0.460 1.00 0.00 H new ATOM 0 HB3 ARG P 31 -4.170 -6.073 0.632 1.00 0.00 H new ATOM 0 HG2 ARG P 31 -6.449 -5.497 -0.058 1.00 0.00 H new ATOM 0 HG3 ARG P 31 -6.422 -6.706 -1.325 1.00 0.00 H new ATOM 0 HD2 ARG P 31 -5.883 -8.375 0.694 1.00 0.00 H new ATOM 0 HD3 ARG P 31 -6.592 -7.105 1.672 1.00 0.00 H new ATOM 0 HE ARG P 31 -8.535 -7.309 -0.137 1.00 0.00 H new ATOM 0 HH11 ARG P 31 -6.878 -9.956 1.530 1.00 0.00 H new ATOM 0 HH12 ARG P 31 -8.221 -11.064 1.227 1.00 0.00 H new ATOM 0 HH21 ARG P 31 -10.085 -8.790 -0.584 1.00 0.00 H new ATOM 0 HH22 ARG P 31 -9.970 -10.427 0.072 1.00 0.00 H new ATOM 551 N GLU P 32 -1.603 -6.366 -1.515 1.00 0.00 N ATOM 552 CA GLU P 32 -0.143 -6.234 -1.468 1.00 0.00 C ATOM 553 C GLU P 32 0.379 -5.227 -2.503 1.00 0.00 C ATOM 554 O GLU P 32 1.218 -4.399 -2.162 1.00 0.00 O ATOM 555 CB GLU P 32 0.555 -7.589 -1.665 1.00 0.00 C ATOM 556 CG GLU P 32 0.447 -8.497 -0.436 1.00 0.00 C ATOM 557 CD GLU P 32 1.409 -9.699 -0.554 1.00 0.00 C ATOM 558 OE1 GLU P 32 1.178 -10.608 -1.390 1.00 0.00 O ATOM 559 OE2 GLU P 32 2.431 -9.732 0.177 1.00 0.00 O ATOM 0 H GLU P 32 -1.929 -7.287 -1.809 1.00 0.00 H new ATOM 0 HA GLU P 32 0.097 -5.858 -0.474 1.00 0.00 H new ATOM 0 HB2 GLU P 32 0.118 -8.096 -2.525 1.00 0.00 H new ATOM 0 HB3 GLU P 32 1.607 -7.420 -1.895 1.00 0.00 H new ATOM 0 HG2 GLU P 32 0.679 -7.927 0.464 1.00 0.00 H new ATOM 0 HG3 GLU P 32 -0.577 -8.855 -0.332 1.00 0.00 H new ATOM 566 N GLU P 33 -0.141 -5.237 -3.736 1.00 0.00 N ATOM 567 CA GLU P 33 0.283 -4.321 -4.814 1.00 0.00 C ATOM 568 C GLU P 33 0.265 -2.845 -4.386 1.00 0.00 C ATOM 569 O GLU P 33 1.201 -2.117 -4.715 1.00 0.00 O ATOM 570 CB GLU P 33 -0.614 -4.513 -6.056 1.00 0.00 C ATOM 571 CG GLU P 33 -0.272 -3.614 -7.255 1.00 0.00 C ATOM 572 CD GLU P 33 -1.384 -3.670 -8.318 1.00 0.00 C ATOM 573 OE1 GLU P 33 -2.355 -2.877 -8.224 1.00 0.00 O ATOM 574 OE2 GLU P 33 -1.290 -4.487 -9.266 1.00 0.00 O ATOM 0 H GLU P 33 -0.875 -5.885 -4.021 1.00 0.00 H new ATOM 0 HA GLU P 33 1.316 -4.574 -5.054 1.00 0.00 H new ATOM 0 HB2 GLU P 33 -0.550 -5.554 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU P 33 -1.649 -4.330 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU P 33 -0.137 -2.586 -6.917 1.00 0.00 H new ATOM 0 HG3 GLU P 33 0.673 -3.931 -7.695 1.00 0.00 H new ATOM 581 N ILE P 34 -0.750 -2.400 -3.636 1.00 0.00 N ATOM 582 CA ILE P 34 -0.833 -1.009 -3.151 1.00 0.00 C ATOM 583 C ILE P 34 0.008 -0.805 -1.881 1.00 0.00 C ATOM 584 O ILE P 34 0.588 0.262 -1.683 1.00 0.00 O ATOM 585 CB ILE P 34 -2.300 -0.511 -3.027 1.00 0.00 C ATOM 586 CG1 ILE P 34 -2.972 -0.754 -1.658 1.00 0.00 C ATOM 587 CG2 ILE P 34 -3.190 -1.133 -4.121 1.00 0.00 C ATOM 588 CD1 ILE P 34 -2.746 0.384 -0.652 1.00 0.00 C ATOM 0 H ILE P 34 -1.534 -2.986 -3.348 1.00 0.00 H new ATOM 0 HA ILE P 34 -0.386 -0.366 -3.909 1.00 0.00 H new ATOM 0 HB ILE P 34 -2.216 0.569 -3.146 1.00 0.00 H new ATOM 0 HG12 ILE P 34 -4.043 -0.888 -1.807 1.00 0.00 H new ATOM 0 HG13 ILE P 34 -2.590 -1.683 -1.235 1.00 0.00 H new ATOM 0 HG21 ILE P 34 -4.211 -0.768 -4.011 1.00 0.00 H new ATOM 0 HG22 ILE P 34 -2.808 -0.853 -5.103 1.00 0.00 H new ATOM 0 HG23 ILE P 34 -3.181 -2.219 -4.024 1.00 0.00 H new ATOM 0 HD11 ILE P 34 -3.246 0.145 0.286 1.00 0.00 H new ATOM 0 HD12 ILE P 34 -1.678 0.505 -0.473 1.00 0.00 H new ATOM 0 HD13 ILE P 34 -3.153 1.312 -1.054 1.00 0.00 H new ATOM 600 N ALA P 35 0.124 -1.832 -1.032 1.00 0.00 N ATOM 601 CA ALA P 35 0.841 -1.774 0.243 1.00 0.00 C ATOM 602 C ALA P 35 2.371 -1.693 0.066 1.00 0.00 C ATOM 603 O ALA P 35 3.079 -1.117 0.897 1.00 0.00 O ATOM 604 CB ALA P 35 0.438 -3.005 1.062 1.00 0.00 C ATOM 0 H ALA P 35 -0.288 -2.746 -1.218 1.00 0.00 H new ATOM 0 HA ALA P 35 0.564 -0.859 0.766 1.00 0.00 H new ATOM 0 HB1 ALA P 35 0.957 -2.990 2.020 1.00 0.00 H new ATOM 0 HB2 ALA P 35 -0.639 -2.992 1.232 1.00 0.00 H new ATOM 0 HB3 ALA P 35 0.708 -3.909 0.517 1.00 0.00 H new ATOM 610 N VAL P 36 2.868 -2.250 -1.043 1.00 0.00 N ATOM 611 CA VAL P 36 4.286 -2.454 -1.377 1.00 0.00 C ATOM 612 C VAL P 36 5.099 -1.159 -1.474 1.00 0.00 C ATOM 613 O VAL P 36 6.283 -1.157 -1.131 1.00 0.00 O ATOM 614 CB VAL P 36 4.334 -3.294 -2.679 1.00 0.00 C ATOM 615 CG1 VAL P 36 5.486 -3.011 -3.647 1.00 0.00 C ATOM 616 CG2 VAL P 36 4.360 -4.785 -2.325 1.00 0.00 C ATOM 0 H VAL P 36 2.253 -2.593 -1.781 1.00 0.00 H new ATOM 0 HA VAL P 36 4.772 -2.988 -0.560 1.00 0.00 H new ATOM 0 HB VAL P 36 3.433 -2.994 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL P 36 5.401 -3.665 -4.515 1.00 0.00 H new ATOM 0 HG12 VAL P 36 5.442 -1.971 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL P 36 6.436 -3.195 -3.145 1.00 0.00 H new ATOM 0 HG21 VAL P 36 4.394 -5.376 -3.240 1.00 0.00 H new ATOM 0 HG22 VAL P 36 5.242 -5.000 -1.721 1.00 0.00 H new ATOM 0 HG23 VAL P 36 3.463 -5.041 -1.761 1.00 0.00 H new ATOM 626 N TRP P 37 4.476 -0.054 -1.893 1.00 0.00 N ATOM 627 CA TRP P 37 5.114 1.264 -2.049 1.00 0.00 C ATOM 628 C TRP P 37 4.549 2.334 -1.102 1.00 0.00 C ATOM 629 O TRP P 37 4.940 3.501 -1.174 1.00 0.00 O ATOM 630 CB TRP P 37 5.067 1.687 -3.523 1.00 0.00 C ATOM 631 CG TRP P 37 3.734 1.535 -4.178 1.00 0.00 C ATOM 632 CD1 TRP P 37 3.268 0.390 -4.717 1.00 0.00 C ATOM 633 CD2 TRP P 37 2.657 2.507 -4.312 1.00 0.00 C ATOM 634 NE1 TRP P 37 1.964 0.565 -5.119 1.00 0.00 N ATOM 635 CE2 TRP P 37 1.525 1.853 -4.886 1.00 0.00 C ATOM 636 CE3 TRP P 37 2.524 3.870 -3.983 1.00 0.00 C ATOM 637 CZ2 TRP P 37 0.304 2.514 -5.090 1.00 0.00 C ATOM 638 CZ3 TRP P 37 1.310 4.548 -4.203 1.00 0.00 C ATOM 639 CH2 TRP P 37 0.199 3.873 -4.742 1.00 0.00 C ATOM 0 H TRP P 37 3.487 -0.047 -2.141 1.00 0.00 H new ATOM 0 HA TRP P 37 6.158 1.167 -1.750 1.00 0.00 H new ATOM 0 HB2 TRP P 37 5.375 2.730 -3.597 1.00 0.00 H new ATOM 0 HB3 TRP P 37 5.798 1.099 -4.078 1.00 0.00 H new ATOM 0 HD1 TRP P 37 3.833 -0.525 -4.818 1.00 0.00 H new ATOM 0 HE1 TRP P 37 1.391 -0.168 -5.538 1.00 0.00 H new ATOM 0 HE3 TRP P 37 3.363 4.401 -3.557 1.00 0.00 H new ATOM 0 HZ2 TRP P 37 -0.542 1.988 -5.508 1.00 0.00 H new ATOM 0 HZ3 TRP P 37 1.231 5.596 -3.956 1.00 0.00 H new ATOM 0 HH2 TRP P 37 -0.733 4.398 -4.888 1.00 0.00 H new ATOM 650 N THR P 38 3.658 1.939 -0.188 1.00 0.00 N ATOM 651 CA THR P 38 3.014 2.828 0.799 1.00 0.00 C ATOM 652 C THR P 38 3.412 2.514 2.242 1.00 0.00 C ATOM 653 O THR P 38 2.923 3.167 3.160 1.00 0.00 O ATOM 654 CB THR P 38 1.486 2.836 0.636 1.00 0.00 C ATOM 655 OG1 THR P 38 0.969 1.537 0.773 1.00 0.00 O ATOM 656 CG2 THR P 38 1.081 3.348 -0.745 1.00 0.00 C ATOM 0 H THR P 38 3.353 0.969 -0.107 1.00 0.00 H new ATOM 0 HA THR P 38 3.386 3.831 0.588 1.00 0.00 H new ATOM 0 HB THR P 38 1.087 3.493 1.409 1.00 0.00 H new ATOM 0 HG1 THR P 38 0.853 1.136 -0.114 1.00 0.00 H new ATOM 0 HG21 THR P 38 -0.006 3.342 -0.831 1.00 0.00 H new ATOM 0 HG22 THR P 38 1.450 4.365 -0.879 1.00 0.00 H new ATOM 0 HG23 THR P 38 1.509 2.703 -1.512 1.00 0.00 H new ATOM 664 N ASN P 39 4.327 1.561 2.461 1.00 0.00 N ATOM 665 CA ASN P 39 4.764 1.079 3.781 1.00 0.00 C ATOM 666 C ASN P 39 3.609 0.532 4.656 1.00 0.00 C ATOM 667 O ASN P 39 3.497 0.834 5.848 1.00 0.00 O ATOM 668 CB ASN P 39 5.636 2.151 4.466 1.00 0.00 C ATOM 669 CG ASN P 39 6.488 1.615 5.610 1.00 0.00 C ATOM 670 OD1 ASN P 39 6.666 0.419 5.806 1.00 0.00 O ATOM 671 ND2 ASN P 39 7.083 2.492 6.387 1.00 0.00 N ATOM 0 H ASN P 39 4.803 1.085 1.695 1.00 0.00 H new ATOM 0 HA ASN P 39 5.391 0.200 3.634 1.00 0.00 H new ATOM 0 HB2 ASN P 39 6.290 2.604 3.721 1.00 0.00 H new ATOM 0 HB3 ASN P 39 4.990 2.942 4.847 1.00 0.00 H new ATOM 0 HD21 ASN P 39 7.687 2.175 7.145 1.00 0.00 H new ATOM 0 HD22 ASN P 39 6.941 3.490 6.232 1.00 0.00 H new ATOM 678 N LEU P 40 2.733 -0.261 4.035 1.00 0.00 N ATOM 679 CA LEU P 40 1.623 -0.992 4.663 1.00 0.00 C ATOM 680 C LEU P 40 1.800 -2.518 4.509 1.00 0.00 C ATOM 681 O LEU P 40 2.791 -2.997 3.951 1.00 0.00 O ATOM 682 CB LEU P 40 0.298 -0.501 4.034 1.00 0.00 C ATOM 683 CG LEU P 40 -0.063 0.970 4.303 1.00 0.00 C ATOM 684 CD1 LEU P 40 -1.352 1.320 3.560 1.00 0.00 C ATOM 685 CD2 LEU P 40 -0.291 1.219 5.792 1.00 0.00 C ATOM 0 H LEU P 40 2.779 -0.421 3.029 1.00 0.00 H new ATOM 0 HA LEU P 40 1.608 -0.793 5.735 1.00 0.00 H new ATOM 0 HB2 LEU P 40 0.351 -0.652 2.956 1.00 0.00 H new ATOM 0 HB3 LEU P 40 -0.513 -1.129 4.404 1.00 0.00 H new ATOM 0 HG LEU P 40 0.767 1.588 3.959 1.00 0.00 H new ATOM 0 HD11 LEU P 40 -1.610 2.362 3.749 1.00 0.00 H new ATOM 0 HD12 LEU P 40 -1.207 1.171 2.490 1.00 0.00 H new ATOM 0 HD13 LEU P 40 -2.160 0.677 3.910 1.00 0.00 H new ATOM 0 HD21 LEU P 40 -0.544 2.267 5.951 1.00 0.00 H new ATOM 0 HD22 LEU P 40 -1.109 0.590 6.145 1.00 0.00 H new ATOM 0 HD23 LEU P 40 0.617 0.977 6.345 1.00 0.00 H new ATOM 697 N THR P 41 0.818 -3.289 4.986 1.00 0.00 N ATOM 698 CA THR P 41 0.674 -4.734 4.724 1.00 0.00 C ATOM 699 C THR P 41 -0.757 -5.036 4.269 1.00 0.00 C ATOM 700 O THR P 41 -1.657 -4.223 4.483 1.00 0.00 O ATOM 701 CB THR P 41 1.105 -5.573 5.940 1.00 0.00 C ATOM 702 OG1 THR P 41 1.083 -6.942 5.604 1.00 0.00 O ATOM 703 CG2 THR P 41 0.215 -5.379 7.167 1.00 0.00 C ATOM 0 H THR P 41 0.078 -2.920 5.583 1.00 0.00 H new ATOM 0 HA THR P 41 1.346 -5.020 3.915 1.00 0.00 H new ATOM 0 HB THR P 41 2.108 -5.232 6.198 1.00 0.00 H new ATOM 0 HG1 THR P 41 1.359 -7.474 6.379 1.00 0.00 H new ATOM 0 HG21 THR P 41 0.580 -6.002 7.984 1.00 0.00 H new ATOM 0 HG22 THR P 41 0.237 -4.332 7.471 1.00 0.00 H new ATOM 0 HG23 THR P 41 -0.808 -5.664 6.923 1.00 0.00 H new ATOM 711 N GLU P 42 -1.004 -6.191 3.647 1.00 0.00 N ATOM 712 CA GLU P 42 -2.313 -6.523 3.055 1.00 0.00 C ATOM 713 C GLU P 42 -3.477 -6.474 4.058 1.00 0.00 C ATOM 714 O GLU P 42 -4.594 -6.118 3.684 1.00 0.00 O ATOM 715 CB GLU P 42 -2.258 -7.886 2.345 1.00 0.00 C ATOM 716 CG GLU P 42 -2.007 -9.087 3.270 1.00 0.00 C ATOM 717 CD GLU P 42 -2.070 -10.416 2.492 1.00 0.00 C ATOM 718 OE1 GLU P 42 -3.187 -10.834 2.103 1.00 0.00 O ATOM 719 OE2 GLU P 42 -1.011 -11.062 2.298 1.00 0.00 O ATOM 0 H GLU P 42 -0.306 -6.926 3.537 1.00 0.00 H new ATOM 0 HA GLU P 42 -2.519 -5.744 2.321 1.00 0.00 H new ATOM 0 HB2 GLU P 42 -3.199 -8.043 1.817 1.00 0.00 H new ATOM 0 HB3 GLU P 42 -1.471 -7.855 1.591 1.00 0.00 H new ATOM 0 HG2 GLU P 42 -1.030 -8.986 3.743 1.00 0.00 H new ATOM 0 HG3 GLU P 42 -2.749 -9.095 4.068 1.00 0.00 H new ATOM 726 N ALA P 43 -3.214 -6.758 5.339 1.00 0.00 N ATOM 727 CA ALA P 43 -4.202 -6.681 6.413 1.00 0.00 C ATOM 728 C ALA P 43 -4.662 -5.236 6.681 1.00 0.00 C ATOM 729 O ALA P 43 -5.860 -4.999 6.832 1.00 0.00 O ATOM 730 CB ALA P 43 -3.612 -7.337 7.668 1.00 0.00 C ATOM 0 H ALA P 43 -2.292 -7.052 5.660 1.00 0.00 H new ATOM 0 HA ALA P 43 -5.099 -7.220 6.110 1.00 0.00 H new ATOM 0 HB1 ALA P 43 -4.338 -7.288 8.480 1.00 0.00 H new ATOM 0 HB2 ALA P 43 -3.375 -8.380 7.456 1.00 0.00 H new ATOM 0 HB3 ALA P 43 -2.704 -6.810 7.961 1.00 0.00 H new ATOM 736 N ARG P 44 -3.746 -4.254 6.654 1.00 0.00 N ATOM 737 CA ARG P 44 -4.076 -2.816 6.750 1.00 0.00 C ATOM 738 C ARG P 44 -5.003 -2.408 5.609 1.00 0.00 C ATOM 739 O ARG P 44 -6.030 -1.784 5.850 1.00 0.00 O ATOM 740 CB ARG P 44 -2.804 -1.946 6.706 1.00 0.00 C ATOM 741 CG ARG P 44 -1.841 -2.118 7.889 1.00 0.00 C ATOM 742 CD ARG P 44 -2.345 -1.406 9.149 1.00 0.00 C ATOM 743 NE ARG P 44 -1.456 -1.684 10.296 1.00 0.00 N ATOM 744 CZ ARG P 44 -0.420 -0.977 10.708 1.00 0.00 C ATOM 745 NH1 ARG P 44 -0.135 0.206 10.241 1.00 0.00 N ATOM 746 NH2 ARG P 44 0.368 -1.455 11.627 1.00 0.00 N ATOM 0 H ARG P 44 -2.746 -4.434 6.564 1.00 0.00 H new ATOM 0 HA ARG P 44 -4.576 -2.656 7.705 1.00 0.00 H new ATOM 0 HB2 ARG P 44 -2.264 -2.170 5.786 1.00 0.00 H new ATOM 0 HB3 ARG P 44 -3.103 -0.899 6.654 1.00 0.00 H new ATOM 0 HG2 ARG P 44 -1.712 -3.180 8.100 1.00 0.00 H new ATOM 0 HG3 ARG P 44 -0.861 -1.725 7.618 1.00 0.00 H new ATOM 0 HD2 ARG P 44 -2.393 -0.332 8.971 1.00 0.00 H new ATOM 0 HD3 ARG P 44 -3.358 -1.736 9.379 1.00 0.00 H new ATOM 0 HE ARG P 44 -1.668 -2.524 10.835 1.00 0.00 H new ATOM 0 HH11 ARG P 44 -0.725 0.627 9.523 1.00 0.00 H new ATOM 0 HH12 ARG P 44 0.678 0.711 10.593 1.00 0.00 H new ATOM 0 HH21 ARG P 44 0.185 -2.375 12.028 1.00 0.00 H new ATOM 0 HH22 ARG P 44 1.169 -0.910 11.946 1.00 0.00 H new ATOM 760 N VAL P 45 -4.681 -2.822 4.381 1.00 0.00 N ATOM 761 CA VAL P 45 -5.505 -2.533 3.195 1.00 0.00 C ATOM 762 C VAL P 45 -6.886 -3.187 3.315 1.00 0.00 C ATOM 763 O VAL P 45 -7.897 -2.517 3.115 1.00 0.00 O ATOM 764 CB VAL P 45 -4.792 -2.955 1.896 1.00 0.00 C ATOM 765 CG1 VAL P 45 -5.543 -2.444 0.663 1.00 0.00 C ATOM 766 CG2 VAL P 45 -3.365 -2.396 1.848 1.00 0.00 C ATOM 0 H VAL P 45 -3.843 -3.367 4.176 1.00 0.00 H new ATOM 0 HA VAL P 45 -5.651 -1.454 3.146 1.00 0.00 H new ATOM 0 HB VAL P 45 -4.767 -4.045 1.888 1.00 0.00 H new ATOM 0 HG11 VAL P 45 -5.017 -2.757 -0.239 1.00 0.00 H new ATOM 0 HG12 VAL P 45 -6.552 -2.855 0.655 1.00 0.00 H new ATOM 0 HG13 VAL P 45 -5.595 -1.356 0.694 1.00 0.00 H new ATOM 0 HG21 VAL P 45 -2.883 -2.708 0.921 1.00 0.00 H new ATOM 0 HG22 VAL P 45 -3.399 -1.307 1.891 1.00 0.00 H new ATOM 0 HG23 VAL P 45 -2.797 -2.775 2.698 1.00 0.00 H new ATOM 776 N ARG P 46 -6.957 -4.460 3.729 1.00 0.00 N ATOM 777 CA ARG P 46 -8.223 -5.187 3.938 1.00 0.00 C ATOM 778 C ARG P 46 -9.120 -4.498 4.971 1.00 0.00 C ATOM 779 O ARG P 46 -10.303 -4.279 4.713 1.00 0.00 O ATOM 780 CB ARG P 46 -7.913 -6.639 4.344 1.00 0.00 C ATOM 781 CG ARG P 46 -9.087 -7.574 4.030 1.00 0.00 C ATOM 782 CD ARG P 46 -8.742 -9.017 4.414 1.00 0.00 C ATOM 783 NE ARG P 46 -9.739 -9.958 3.871 1.00 0.00 N ATOM 784 CZ ARG P 46 -10.039 -11.160 4.334 1.00 0.00 C ATOM 785 NH1 ARG P 46 -9.421 -11.686 5.355 1.00 0.00 N ATOM 786 NH2 ARG P 46 -10.972 -11.872 3.769 1.00 0.00 N ATOM 0 H ARG P 46 -6.130 -5.022 3.931 1.00 0.00 H new ATOM 0 HA ARG P 46 -8.781 -5.186 3.001 1.00 0.00 H new ATOM 0 HB2 ARG P 46 -7.022 -6.983 3.818 1.00 0.00 H new ATOM 0 HB3 ARG P 46 -7.689 -6.680 5.410 1.00 0.00 H new ATOM 0 HG2 ARG P 46 -9.974 -7.249 4.574 1.00 0.00 H new ATOM 0 HG3 ARG P 46 -9.327 -7.522 2.968 1.00 0.00 H new ATOM 0 HD2 ARG P 46 -7.752 -9.272 4.036 1.00 0.00 H new ATOM 0 HD3 ARG P 46 -8.702 -9.109 5.499 1.00 0.00 H new ATOM 0 HE ARG P 46 -10.254 -9.648 3.047 1.00 0.00 H new ATOM 0 HH11 ARG P 46 -8.679 -11.167 5.824 1.00 0.00 H new ATOM 0 HH12 ARG P 46 -9.680 -12.616 5.684 1.00 0.00 H new ATOM 0 HH21 ARG P 46 -11.477 -11.503 2.963 1.00 0.00 H new ATOM 0 HH22 ARG P 46 -11.197 -12.798 4.132 1.00 0.00 H new ATOM 800 N VAL P 47 -8.548 -4.101 6.108 1.00 0.00 N ATOM 801 CA VAL P 47 -9.230 -3.359 7.184 1.00 0.00 C ATOM 802 C VAL P 47 -9.710 -1.992 6.698 1.00 0.00 C ATOM 803 O VAL P 47 -10.853 -1.614 6.966 1.00 0.00 O ATOM 804 CB VAL P 47 -8.292 -3.214 8.400 1.00 0.00 C ATOM 805 CG1 VAL P 47 -8.802 -2.230 9.459 1.00 0.00 C ATOM 806 CG2 VAL P 47 -8.122 -4.575 9.084 1.00 0.00 C ATOM 0 H VAL P 47 -7.568 -4.290 6.318 1.00 0.00 H new ATOM 0 HA VAL P 47 -10.111 -3.924 7.486 1.00 0.00 H new ATOM 0 HB VAL P 47 -7.352 -2.829 8.005 1.00 0.00 H new ATOM 0 HG11 VAL P 47 -8.090 -2.181 10.283 1.00 0.00 H new ATOM 0 HG12 VAL P 47 -8.911 -1.241 9.014 1.00 0.00 H new ATOM 0 HG13 VAL P 47 -9.768 -2.567 9.834 1.00 0.00 H new ATOM 0 HG21 VAL P 47 -7.459 -4.470 9.943 1.00 0.00 H new ATOM 0 HG22 VAL P 47 -9.094 -4.938 9.418 1.00 0.00 H new ATOM 0 HG23 VAL P 47 -7.692 -5.286 8.378 1.00 0.00 H new ATOM 816 N TRP P 48 -8.878 -1.263 5.950 1.00 0.00 N ATOM 817 CA TRP P 48 -9.231 0.055 5.430 1.00 0.00 C ATOM 818 C TRP P 48 -10.396 -0.017 4.444 1.00 0.00 C ATOM 819 O TRP P 48 -11.384 0.689 4.621 1.00 0.00 O ATOM 820 CB TRP P 48 -8.014 0.710 4.780 1.00 0.00 C ATOM 821 CG TRP P 48 -8.233 2.153 4.461 1.00 0.00 C ATOM 822 CD1 TRP P 48 -7.910 3.188 5.269 1.00 0.00 C ATOM 823 CD2 TRP P 48 -8.861 2.745 3.282 1.00 0.00 C ATOM 824 NE1 TRP P 48 -8.270 4.373 4.663 1.00 0.00 N ATOM 825 CE2 TRP P 48 -8.852 4.162 3.433 1.00 0.00 C ATOM 826 CE3 TRP P 48 -9.427 2.230 2.097 1.00 0.00 C ATOM 827 CZ2 TRP P 48 -9.362 5.025 2.455 1.00 0.00 C ATOM 828 CZ3 TRP P 48 -9.972 3.081 1.120 1.00 0.00 C ATOM 829 CH2 TRP P 48 -9.948 4.473 1.303 1.00 0.00 C ATOM 0 H TRP P 48 -7.942 -1.572 5.689 1.00 0.00 H new ATOM 0 HA TRP P 48 -9.556 0.668 6.271 1.00 0.00 H new ATOM 0 HB2 TRP P 48 -7.157 0.616 5.447 1.00 0.00 H new ATOM 0 HB3 TRP P 48 -7.765 0.174 3.864 1.00 0.00 H new ATOM 0 HD1 TRP P 48 -7.443 3.100 6.239 1.00 0.00 H new ATOM 0 HE1 TRP P 48 -8.123 5.294 5.076 1.00 0.00 H new ATOM 0 HE3 TRP P 48 -9.442 1.162 1.937 1.00 0.00 H new ATOM 0 HZ2 TRP P 48 -9.306 6.096 2.584 1.00 0.00 H new ATOM 0 HZ3 TRP P 48 -10.411 2.663 0.226 1.00 0.00 H new ATOM 0 HH2 TRP P 48 -10.381 5.122 0.556 1.00 0.00 H new ATOM 840 N PHE P 49 -10.337 -0.915 3.456 1.00 0.00 N ATOM 841 CA PHE P 49 -11.406 -1.111 2.469 1.00 0.00 C ATOM 842 C PHE P 49 -12.713 -1.604 3.111 1.00 0.00 C ATOM 843 O PHE P 49 -13.796 -1.201 2.682 1.00 0.00 O ATOM 844 CB PHE P 49 -10.918 -2.071 1.370 1.00 0.00 C ATOM 845 CG PHE P 49 -10.188 -1.384 0.228 1.00 0.00 C ATOM 846 CD1 PHE P 49 -8.878 -0.888 0.386 1.00 0.00 C ATOM 847 CD2 PHE P 49 -10.838 -1.219 -1.009 1.00 0.00 C ATOM 848 CE1 PHE P 49 -8.227 -0.230 -0.673 1.00 0.00 C ATOM 849 CE2 PHE P 49 -10.181 -0.577 -2.068 1.00 0.00 C ATOM 850 CZ PHE P 49 -8.882 -0.075 -1.903 1.00 0.00 C ATOM 0 H PHE P 49 -9.538 -1.533 3.317 1.00 0.00 H new ATOM 0 HA PHE P 49 -11.638 -0.145 2.021 1.00 0.00 H new ATOM 0 HB2 PHE P 49 -10.256 -2.812 1.817 1.00 0.00 H new ATOM 0 HB3 PHE P 49 -11.775 -2.611 0.967 1.00 0.00 H new ATOM 0 HD1 PHE P 49 -8.369 -1.015 1.330 1.00 0.00 H new ATOM 0 HD2 PHE P 49 -11.844 -1.587 -1.143 1.00 0.00 H new ATOM 0 HE1 PHE P 49 -7.227 0.154 -0.539 1.00 0.00 H new ATOM 0 HE2 PHE P 49 -10.680 -0.468 -3.020 1.00 0.00 H new ATOM 0 HZ PHE P 49 -8.388 0.429 -2.720 1.00 0.00 H new ATOM 860 N LYS P 50 -12.630 -2.405 4.185 1.00 0.00 N ATOM 861 CA LYS P 50 -13.801 -2.853 4.963 1.00 0.00 C ATOM 862 C LYS P 50 -14.487 -1.675 5.658 1.00 0.00 C ATOM 863 O LYS P 50 -15.696 -1.486 5.517 1.00 0.00 O ATOM 864 CB LYS P 50 -13.372 -3.936 5.962 1.00 0.00 C ATOM 865 CG LYS P 50 -14.590 -4.638 6.581 1.00 0.00 C ATOM 866 CD LYS P 50 -14.214 -5.524 7.774 1.00 0.00 C ATOM 867 CE LYS P 50 -13.141 -6.563 7.424 1.00 0.00 C ATOM 868 NZ LYS P 50 -12.875 -7.477 8.568 1.00 0.00 N ATOM 0 H LYS P 50 -11.744 -2.763 4.542 1.00 0.00 H new ATOM 0 HA LYS P 50 -14.536 -3.285 4.284 1.00 0.00 H new ATOM 0 HB2 LYS P 50 -12.744 -4.670 5.458 1.00 0.00 H new ATOM 0 HB3 LYS P 50 -12.768 -3.487 6.751 1.00 0.00 H new ATOM 0 HG2 LYS P 50 -15.313 -3.888 6.903 1.00 0.00 H new ATOM 0 HG3 LYS P 50 -15.080 -5.247 5.821 1.00 0.00 H new ATOM 0 HD2 LYS P 50 -13.854 -4.896 8.589 1.00 0.00 H new ATOM 0 HD3 LYS P 50 -15.105 -6.036 8.136 1.00 0.00 H new ATOM 0 HE2 LYS P 50 -13.463 -7.144 6.560 1.00 0.00 H new ATOM 0 HE3 LYS P 50 -12.219 -6.055 7.141 1.00 0.00 H new ATOM 0 HZ1 LYS P 50 -12.145 -8.167 8.299 1.00 0.00 H new ATOM 0 HZ2 LYS P 50 -12.544 -6.924 9.384 1.00 0.00 H new ATOM 0 HZ3 LYS P 50 -13.750 -7.979 8.822 1.00 0.00 H new ATOM 882 N ASN P 51 -13.703 -0.839 6.343 1.00 0.00 N ATOM 883 CA ASN P 51 -14.202 0.388 6.970 1.00 0.00 C ATOM 884 C ASN P 51 -14.712 1.392 5.922 1.00 0.00 C ATOM 885 O ASN P 51 -15.750 2.019 6.128 1.00 0.00 O ATOM 886 CB ASN P 51 -13.105 1.003 7.858 1.00 0.00 C ATOM 887 CG ASN P 51 -13.004 0.317 9.207 1.00 0.00 C ATOM 888 OD1 ASN P 51 -13.647 0.704 10.173 1.00 0.00 O ATOM 889 ND2 ASN P 51 -12.216 -0.725 9.318 1.00 0.00 N ATOM 0 H ASN P 51 -12.704 -0.993 6.479 1.00 0.00 H new ATOM 0 HA ASN P 51 -15.055 0.134 7.599 1.00 0.00 H new ATOM 0 HB2 ASN P 51 -12.145 0.935 7.346 1.00 0.00 H new ATOM 0 HB3 ASN P 51 -13.313 2.063 8.006 1.00 0.00 H new ATOM 0 HD21 ASN P 51 -12.139 -1.213 10.210 1.00 0.00 H new ATOM 0 HD22 ASN P 51 -11.680 -1.047 8.512 1.00 0.00 H new ATOM 896 N ARG P 52 -14.039 1.515 4.772 1.00 0.00 N ATOM 897 CA ARG P 52 -14.415 2.468 3.721 1.00 0.00 C ATOM 898 C ARG P 52 -15.730 2.109 3.048 1.00 0.00 C ATOM 899 O ARG P 52 -16.529 3.007 2.823 1.00 0.00 O ATOM 900 CB ARG P 52 -13.280 2.628 2.693 1.00 0.00 C ATOM 901 CG ARG P 52 -13.487 3.841 1.754 1.00 0.00 C ATOM 902 CD ARG P 52 -13.608 5.188 2.490 1.00 0.00 C ATOM 903 NE ARG P 52 -13.732 6.335 1.567 1.00 0.00 N ATOM 904 CZ ARG P 52 -12.855 7.302 1.365 1.00 0.00 C ATOM 905 NH1 ARG P 52 -11.670 7.323 1.892 1.00 0.00 N ATOM 906 NH2 ARG P 52 -13.131 8.325 0.622 1.00 0.00 N ATOM 0 H ARG P 52 -13.217 0.956 4.544 1.00 0.00 H new ATOM 0 HA ARG P 52 -14.573 3.431 4.207 1.00 0.00 H new ATOM 0 HB2 ARG P 52 -12.332 2.740 3.220 1.00 0.00 H new ATOM 0 HB3 ARG P 52 -13.207 1.720 2.095 1.00 0.00 H new ATOM 0 HG2 ARG P 52 -12.652 3.894 1.056 1.00 0.00 H new ATOM 0 HG3 ARG P 52 -14.388 3.680 1.162 1.00 0.00 H new ATOM 0 HD2 ARG P 52 -14.477 5.161 3.148 1.00 0.00 H new ATOM 0 HD3 ARG P 52 -12.733 5.330 3.124 1.00 0.00 H new ATOM 0 HE ARG P 52 -14.594 6.386 1.023 1.00 0.00 H new ATOM 0 HH11 ARG P 52 -11.370 6.563 2.502 1.00 0.00 H new ATOM 0 HH12 ARG P 52 -11.039 8.100 1.696 1.00 0.00 H new ATOM 0 HH21 ARG P 52 -14.045 8.399 0.175 1.00 0.00 H new ATOM 0 HH22 ARG P 52 -12.435 9.057 0.483 1.00 0.00 H new ATOM 920 N ARG P 53 -16.014 0.824 2.814 1.00 0.00 N ATOM 921 CA ARG P 53 -17.331 0.357 2.336 1.00 0.00 C ATOM 922 C ARG P 53 -18.449 0.662 3.334 1.00 0.00 C ATOM 923 O ARG P 53 -19.508 1.153 2.950 1.00 0.00 O ATOM 924 CB ARG P 53 -17.252 -1.145 2.044 1.00 0.00 C ATOM 925 CG ARG P 53 -16.570 -1.400 0.695 1.00 0.00 C ATOM 926 CD ARG P 53 -16.278 -2.892 0.535 1.00 0.00 C ATOM 927 NE ARG P 53 -16.092 -3.240 -0.888 1.00 0.00 N ATOM 928 CZ ARG P 53 -16.996 -3.744 -1.711 1.00 0.00 C ATOM 929 NH1 ARG P 53 -18.187 -4.102 -1.320 1.00 0.00 N ATOM 930 NH2 ARG P 53 -16.711 -3.889 -2.969 1.00 0.00 N ATOM 0 H ARG P 53 -15.339 0.072 2.949 1.00 0.00 H new ATOM 0 HA ARG P 53 -17.578 0.897 1.422 1.00 0.00 H new ATOM 0 HB2 ARG P 53 -16.698 -1.646 2.838 1.00 0.00 H new ATOM 0 HB3 ARG P 53 -18.255 -1.572 2.037 1.00 0.00 H new ATOM 0 HG2 ARG P 53 -17.211 -1.057 -0.117 1.00 0.00 H new ATOM 0 HG3 ARG P 53 -15.643 -0.830 0.633 1.00 0.00 H new ATOM 0 HD2 ARG P 53 -15.382 -3.154 1.098 1.00 0.00 H new ATOM 0 HD3 ARG P 53 -17.099 -3.475 0.952 1.00 0.00 H new ATOM 0 HE ARG P 53 -15.165 -3.073 -1.279 1.00 0.00 H new ATOM 0 HH11 ARG P 53 -18.455 -3.998 -0.341 1.00 0.00 H new ATOM 0 HH12 ARG P 53 -18.851 -4.486 -1.993 1.00 0.00 H new ATOM 0 HH21 ARG P 53 -15.793 -3.615 -3.319 1.00 0.00 H new ATOM 0 HH22 ARG P 53 -17.405 -4.277 -3.608 1.00 0.00 H new ATOM 944 N ALA P 54 -18.188 0.451 4.622 1.00 0.00 N ATOM 945 CA ALA P 54 -19.145 0.773 5.686 1.00 0.00 C ATOM 946 C ALA P 54 -19.408 2.283 5.835 1.00 0.00 C ATOM 947 O ALA P 54 -20.533 2.670 6.159 1.00 0.00 O ATOM 948 CB ALA P 54 -18.640 0.168 7.001 1.00 0.00 C ATOM 0 H ALA P 54 -17.312 0.054 4.960 1.00 0.00 H new ATOM 0 HA ALA P 54 -20.107 0.338 5.414 1.00 0.00 H new ATOM 0 HB1 ALA P 54 -19.342 0.400 7.802 1.00 0.00 H new ATOM 0 HB2 ALA P 54 -18.555 -0.913 6.895 1.00 0.00 H new ATOM 0 HB3 ALA P 54 -17.663 0.587 7.243 1.00 0.00 H new ATOM 954 N LYS P 55 -18.407 3.133 5.570 1.00 0.00 N ATOM 955 CA LYS P 55 -18.518 4.605 5.584 1.00 0.00 C ATOM 956 C LYS P 55 -19.092 5.179 4.281 1.00 0.00 C ATOM 957 O LYS P 55 -19.859 6.141 4.319 1.00 0.00 O ATOM 958 CB LYS P 55 -17.138 5.214 5.890 1.00 0.00 C ATOM 959 CG LYS P 55 -16.703 4.962 7.342 1.00 0.00 C ATOM 960 CD LYS P 55 -15.249 5.406 7.557 1.00 0.00 C ATOM 961 CE LYS P 55 -14.736 5.036 8.955 1.00 0.00 C ATOM 962 NZ LYS P 55 -15.380 5.835 10.033 1.00 0.00 N ATOM 0 H LYS P 55 -17.469 2.810 5.333 1.00 0.00 H new ATOM 0 HA LYS P 55 -19.227 4.875 6.366 1.00 0.00 H new ATOM 0 HB2 LYS P 55 -16.397 4.791 5.212 1.00 0.00 H new ATOM 0 HB3 LYS P 55 -17.166 6.287 5.702 1.00 0.00 H new ATOM 0 HG2 LYS P 55 -17.359 5.505 8.023 1.00 0.00 H new ATOM 0 HG3 LYS P 55 -16.804 3.903 7.579 1.00 0.00 H new ATOM 0 HD2 LYS P 55 -14.613 4.942 6.803 1.00 0.00 H new ATOM 0 HD3 LYS P 55 -15.175 6.484 7.417 1.00 0.00 H new ATOM 0 HE2 LYS P 55 -14.918 3.977 9.136 1.00 0.00 H new ATOM 0 HE3 LYS P 55 -13.657 5.185 8.993 1.00 0.00 H new ATOM 0 HZ1 LYS P 55 -14.998 5.545 10.956 1.00 0.00 H new ATOM 0 HZ2 LYS P 55 -15.186 6.845 9.880 1.00 0.00 H new ATOM 0 HZ3 LYS P 55 -16.407 5.674 10.018 1.00 0.00 H new ATOM 976 N TRP P 56 -18.787 4.561 3.138 1.00 0.00 N ATOM 977 CA TRP P 56 -19.268 4.940 1.803 1.00 0.00 C ATOM 978 C TRP P 56 -20.794 4.988 1.766 1.00 0.00 C ATOM 979 O TRP P 56 -21.367 5.938 1.245 1.00 0.00 O ATOM 980 CB TRP P 56 -18.732 3.941 0.758 1.00 0.00 C ATOM 981 CG TRP P 56 -19.592 3.750 -0.457 1.00 0.00 C ATOM 982 CD1 TRP P 56 -19.931 4.717 -1.333 1.00 0.00 C ATOM 983 CD2 TRP P 56 -20.324 2.558 -0.882 1.00 0.00 C ATOM 984 NE1 TRP P 56 -20.826 4.219 -2.261 1.00 0.00 N ATOM 985 CE2 TRP P 56 -21.129 2.901 -2.008 1.00 0.00 C ATOM 986 CE3 TRP P 56 -20.426 1.238 -0.400 1.00 0.00 C ATOM 987 CZ2 TRP P 56 -22.010 1.993 -2.610 1.00 0.00 C ATOM 988 CZ3 TRP P 56 -21.286 0.303 -1.013 1.00 0.00 C ATOM 989 CH2 TRP P 56 -22.082 0.679 -2.112 1.00 0.00 C ATOM 0 H TRP P 56 -18.172 3.748 3.114 1.00 0.00 H new ATOM 0 HA TRP P 56 -18.898 5.938 1.567 1.00 0.00 H new ATOM 0 HB2 TRP P 56 -17.746 4.275 0.434 1.00 0.00 H new ATOM 0 HB3 TRP P 56 -18.598 2.974 1.242 1.00 0.00 H new ATOM 0 HD1 TRP P 56 -19.558 5.731 -1.313 1.00 0.00 H new ATOM 0 HE1 TRP P 56 -21.213 4.760 -3.035 1.00 0.00 H new ATOM 0 HE3 TRP P 56 -19.836 0.937 0.453 1.00 0.00 H new ATOM 0 HZ2 TRP P 56 -22.625 2.297 -3.444 1.00 0.00 H new ATOM 0 HZ3 TRP P 56 -21.334 -0.708 -0.637 1.00 0.00 H new ATOM 0 HH2 TRP P 56 -22.746 -0.039 -2.571 1.00 0.00 H new ATOM 1000 N ARG P 57 -21.456 4.012 2.387 1.00 0.00 N ATOM 1001 CA ARG P 57 -22.922 3.889 2.423 1.00 0.00 C ATOM 1002 C ARG P 57 -23.652 5.036 3.139 1.00 0.00 C ATOM 1003 O ARG P 57 -24.816 5.295 2.831 1.00 0.00 O ATOM 1004 CB ARG P 57 -23.259 2.523 3.042 1.00 0.00 C ATOM 1005 CG ARG P 57 -22.953 1.398 2.046 1.00 0.00 C ATOM 1006 CD ARG P 57 -23.097 0.013 2.687 1.00 0.00 C ATOM 1007 NE ARG P 57 -24.496 -0.306 3.044 1.00 0.00 N ATOM 1008 CZ ARG P 57 -25.449 -0.744 2.238 1.00 0.00 C ATOM 1009 NH1 ARG P 57 -25.252 -0.942 0.965 1.00 0.00 N ATOM 1010 NH2 ARG P 57 -26.639 -0.994 2.704 1.00 0.00 N ATOM 0 H ARG P 57 -20.981 3.264 2.893 1.00 0.00 H new ATOM 0 HA ARG P 57 -23.288 3.960 1.399 1.00 0.00 H new ATOM 0 HB2 ARG P 57 -22.681 2.377 3.955 1.00 0.00 H new ATOM 0 HB3 ARG P 57 -24.312 2.493 3.323 1.00 0.00 H new ATOM 0 HG2 ARG P 57 -23.627 1.475 1.193 1.00 0.00 H new ATOM 0 HG3 ARG P 57 -21.939 1.517 1.663 1.00 0.00 H new ATOM 0 HD2 ARG P 57 -22.720 -0.743 1.998 1.00 0.00 H new ATOM 0 HD3 ARG P 57 -22.477 -0.035 3.583 1.00 0.00 H new ATOM 0 HE ARG P 57 -24.755 -0.173 4.022 1.00 0.00 H new ATOM 0 HH11 ARG P 57 -24.336 -0.758 0.556 1.00 0.00 H new ATOM 0 HH12 ARG P 57 -26.014 -1.281 0.378 1.00 0.00 H new ATOM 0 HH21 ARG P 57 -26.839 -0.852 3.694 1.00 0.00 H new ATOM 0 HH22 ARG P 57 -27.371 -1.332 2.079 1.00 0.00 H new ATOM 1024 N LYS P 58 -22.974 5.753 4.046 1.00 0.00 N ATOM 1025 CA LYS P 58 -23.481 6.986 4.694 1.00 0.00 C ATOM 1026 C LYS P 58 -23.201 8.245 3.856 1.00 0.00 C ATOM 1027 O LYS P 58 -23.976 9.202 3.903 1.00 0.00 O ATOM 1028 CB LYS P 58 -22.873 7.161 6.102 1.00 0.00 C ATOM 1029 CG LYS P 58 -23.392 6.202 7.187 1.00 0.00 C ATOM 1030 CD LYS P 58 -22.974 4.743 6.969 1.00 0.00 C ATOM 1031 CE LYS P 58 -23.147 3.913 8.244 1.00 0.00 C ATOM 1032 NZ LYS P 58 -22.751 2.501 8.008 1.00 0.00 N ATOM 0 H LYS P 58 -22.039 5.493 4.361 1.00 0.00 H new ATOM 0 HA LYS P 58 -24.561 6.868 4.776 1.00 0.00 H new ATOM 0 HB2 LYS P 58 -21.792 7.041 6.026 1.00 0.00 H new ATOM 0 HB3 LYS P 58 -23.058 8.184 6.431 1.00 0.00 H new ATOM 0 HG2 LYS P 58 -23.027 6.534 8.159 1.00 0.00 H new ATOM 0 HG3 LYS P 58 -24.480 6.258 7.219 1.00 0.00 H new ATOM 0 HD2 LYS P 58 -23.571 4.308 6.167 1.00 0.00 H new ATOM 0 HD3 LYS P 58 -21.933 4.706 6.648 1.00 0.00 H new ATOM 0 HE2 LYS P 58 -22.541 4.337 9.045 1.00 0.00 H new ATOM 0 HE3 LYS P 58 -24.185 3.955 8.573 1.00 0.00 H new ATOM 0 HZ1 LYS P 58 -22.466 2.065 8.908 1.00 0.00 H new ATOM 0 HZ2 LYS P 58 -23.556 1.977 7.609 1.00 0.00 H new ATOM 0 HZ3 LYS P 58 -21.953 2.471 7.341 1.00 0.00 H new ATOM 1046 N ARG P 59 -22.096 8.244 3.102 1.00 0.00 N ATOM 1047 CA ARG P 59 -21.575 9.379 2.308 1.00 0.00 C ATOM 1048 C ARG P 59 -22.089 9.407 0.859 1.00 0.00 C ATOM 1049 O ARG P 59 -22.112 10.466 0.235 1.00 0.00 O ATOM 1050 CB ARG P 59 -20.038 9.316 2.343 1.00 0.00 C ATOM 1051 CG ARG P 59 -19.461 9.637 3.734 1.00 0.00 C ATOM 1052 CD ARG P 59 -17.984 9.239 3.866 1.00 0.00 C ATOM 1053 NE ARG P 59 -17.109 9.876 2.860 1.00 0.00 N ATOM 1054 CZ ARG P 59 -16.663 11.116 2.817 1.00 0.00 C ATOM 1055 NH1 ARG P 59 -16.950 12.010 3.720 1.00 0.00 N ATOM 1056 NH2 ARG P 59 -15.899 11.457 1.824 1.00 0.00 N ATOM 0 H ARG P 59 -21.507 7.415 3.020 1.00 0.00 H new ATOM 0 HA ARG P 59 -21.941 10.303 2.756 1.00 0.00 H new ATOM 0 HB2 ARG P 59 -19.712 8.321 2.040 1.00 0.00 H new ATOM 0 HB3 ARG P 59 -19.633 10.019 1.615 1.00 0.00 H new ATOM 0 HG2 ARG P 59 -19.565 10.704 3.929 1.00 0.00 H new ATOM 0 HG3 ARG P 59 -20.043 9.116 4.494 1.00 0.00 H new ATOM 0 HD2 ARG P 59 -17.632 9.505 4.863 1.00 0.00 H new ATOM 0 HD3 ARG P 59 -17.898 8.156 3.777 1.00 0.00 H new ATOM 0 HE ARG P 59 -16.809 9.274 2.094 1.00 0.00 H new ATOM 0 HH11 ARG P 59 -17.547 11.764 4.509 1.00 0.00 H new ATOM 0 HH12 ARG P 59 -16.577 12.956 3.638 1.00 0.00 H new ATOM 0 HH21 ARG P 59 -15.660 10.773 1.106 1.00 0.00 H new ATOM 0 HH22 ARG P 59 -15.538 12.409 1.762 1.00 0.00 H new ATOM 1070 N GLU P 60 -22.487 8.248 0.338 1.00 0.00 N ATOM 1071 CA GLU P 60 -22.875 7.967 -1.054 1.00 0.00 C ATOM 1072 C GLU P 60 -21.833 8.473 -2.077 1.00 0.00 C ATOM 1073 O GLU P 60 -22.157 9.123 -3.071 1.00 0.00 O ATOM 1074 CB GLU P 60 -24.326 8.409 -1.322 1.00 0.00 C ATOM 1075 CG GLU P 60 -25.323 7.577 -0.500 1.00 0.00 C ATOM 1076 CD GLU P 60 -26.773 8.022 -0.770 1.00 0.00 C ATOM 1077 OE1 GLU P 60 -27.221 9.040 -0.186 1.00 0.00 O ATOM 1078 OE2 GLU P 60 -27.485 7.355 -1.560 1.00 0.00 O ATOM 0 H GLU P 60 -22.554 7.412 0.919 1.00 0.00 H new ATOM 0 HA GLU P 60 -22.869 6.887 -1.201 1.00 0.00 H new ATOM 0 HB2 GLU P 60 -24.439 9.465 -1.074 1.00 0.00 H new ATOM 0 HB3 GLU P 60 -24.550 8.305 -2.384 1.00 0.00 H new ATOM 0 HG2 GLU P 60 -25.211 6.521 -0.748 1.00 0.00 H new ATOM 0 HG3 GLU P 60 -25.099 7.681 0.562 1.00 0.00 H new ATOM 1085 N GLU P 61 -20.554 8.179 -1.805 1.00 0.00 N ATOM 1086 CA GLU P 61 -19.390 8.675 -2.574 1.00 0.00 C ATOM 1087 C GLU P 61 -19.435 8.295 -4.065 1.00 0.00 C ATOM 1088 O GLU P 61 -19.074 9.093 -4.933 1.00 0.00 O ATOM 1089 CB GLU P 61 -18.078 8.129 -1.980 1.00 0.00 C ATOM 1090 CG GLU P 61 -17.929 8.400 -0.480 1.00 0.00 C ATOM 1091 CD GLU P 61 -16.508 8.100 0.018 1.00 0.00 C ATOM 1092 OE1 GLU P 61 -16.094 6.922 0.084 1.00 0.00 O ATOM 1093 OE2 GLU P 61 -15.803 9.056 0.418 1.00 0.00 O ATOM 0 H GLU P 61 -20.287 7.576 -1.027 1.00 0.00 H new ATOM 0 HA GLU P 61 -19.432 9.762 -2.500 1.00 0.00 H new ATOM 0 HB2 GLU P 61 -18.029 7.054 -2.154 1.00 0.00 H new ATOM 0 HB3 GLU P 61 -17.235 8.576 -2.508 1.00 0.00 H new ATOM 0 HG2 GLU P 61 -18.174 9.442 -0.273 1.00 0.00 H new ATOM 0 HG3 GLU P 61 -18.644 7.789 0.072 1.00 0.00 H new ATOM 1100 N PHE P 62 -19.911 7.081 -4.353 1.00 0.00 N ATOM 1101 CA PHE P 62 -20.234 6.570 -5.682 1.00 0.00 C ATOM 1102 C PHE P 62 -21.625 5.921 -5.678 1.00 0.00 C ATOM 1103 O PHE P 62 -21.962 5.182 -4.750 1.00 0.00 O ATOM 1104 CB PHE P 62 -19.160 5.564 -6.109 1.00 0.00 C ATOM 1105 CG PHE P 62 -19.423 4.945 -7.469 1.00 0.00 C ATOM 1106 CD1 PHE P 62 -19.170 5.681 -8.642 1.00 0.00 C ATOM 1107 CD2 PHE P 62 -19.979 3.653 -7.561 1.00 0.00 C ATOM 1108 CE1 PHE P 62 -19.471 5.128 -9.901 1.00 0.00 C ATOM 1109 CE2 PHE P 62 -20.279 3.102 -8.820 1.00 0.00 C ATOM 1110 CZ PHE P 62 -20.027 3.840 -9.990 1.00 0.00 C ATOM 0 H PHE P 62 -20.090 6.392 -3.622 1.00 0.00 H new ATOM 0 HA PHE P 62 -20.252 7.392 -6.397 1.00 0.00 H new ATOM 0 HB2 PHE P 62 -18.191 6.063 -6.126 1.00 0.00 H new ATOM 0 HB3 PHE P 62 -19.097 4.772 -5.363 1.00 0.00 H new ATOM 0 HD1 PHE P 62 -18.744 6.671 -8.576 1.00 0.00 H new ATOM 0 HD2 PHE P 62 -20.175 3.085 -6.663 1.00 0.00 H new ATOM 0 HE1 PHE P 62 -19.275 5.694 -10.800 1.00 0.00 H new ATOM 0 HE2 PHE P 62 -20.703 2.111 -8.888 1.00 0.00 H new ATOM 0 HZ PHE P 62 -20.260 3.418 -10.956 1.00 0.00 H new ATOM 1120 N ILE P 63 -22.411 6.187 -6.726 1.00 0.00 N ATOM 1121 CA ILE P 63 -23.731 5.611 -7.019 1.00 0.00 C ATOM 1122 C ILE P 63 -23.825 5.406 -8.539 1.00 0.00 C ATOM 1123 O ILE P 63 -23.397 6.270 -9.311 1.00 0.00 O ATOM 1124 CB ILE P 63 -24.866 6.540 -6.511 1.00 0.00 C ATOM 1125 CG1 ILE P 63 -24.860 6.743 -4.979 1.00 0.00 C ATOM 1126 CG2 ILE P 63 -26.260 6.059 -6.960 1.00 0.00 C ATOM 1127 CD1 ILE P 63 -25.182 5.499 -4.136 1.00 0.00 C ATOM 0 H ILE P 63 -22.124 6.855 -7.441 1.00 0.00 H new ATOM 0 HA ILE P 63 -23.849 4.657 -6.504 1.00 0.00 H new ATOM 0 HB ILE P 63 -24.656 7.505 -6.973 1.00 0.00 H new ATOM 0 HG12 ILE P 63 -23.878 7.113 -4.685 1.00 0.00 H new ATOM 0 HG13 ILE P 63 -25.581 7.522 -4.732 1.00 0.00 H new ATOM 0 HG21 ILE P 63 -27.020 6.741 -6.580 1.00 0.00 H new ATOM 0 HG22 ILE P 63 -26.304 6.037 -8.049 1.00 0.00 H new ATOM 0 HG23 ILE P 63 -26.443 5.058 -6.569 1.00 0.00 H new ATOM 0 HD11 ILE P 63 -25.149 5.758 -3.078 1.00 0.00 H new ATOM 0 HD12 ILE P 63 -26.178 5.135 -4.390 1.00 0.00 H new ATOM 0 HD13 ILE P 63 -24.448 4.720 -4.342 1.00 0.00 H new ATOM 1139 N VAL P 64 -24.393 4.282 -8.982 1.00 0.00 N ATOM 1140 CA VAL P 64 -24.592 3.983 -10.412 1.00 0.00 C ATOM 1141 C VAL P 64 -25.789 4.772 -10.952 1.00 0.00 C ATOM 1142 O VAL P 64 -26.899 4.664 -10.427 1.00 0.00 O ATOM 1143 CB VAL P 64 -24.777 2.473 -10.654 1.00 0.00 C ATOM 1144 CG1 VAL P 64 -24.898 2.148 -12.149 1.00 0.00 C ATOM 1145 CG2 VAL P 64 -23.590 1.671 -10.100 1.00 0.00 C ATOM 0 H VAL P 64 -24.731 3.547 -8.361 1.00 0.00 H new ATOM 0 HA VAL P 64 -23.695 4.290 -10.950 1.00 0.00 H new ATOM 0 HB VAL P 64 -25.696 2.195 -10.139 1.00 0.00 H new ATOM 0 HG11 VAL P 64 -25.027 1.073 -12.278 1.00 0.00 H new ATOM 0 HG12 VAL P 64 -25.759 2.670 -12.566 1.00 0.00 H new ATOM 0 HG13 VAL P 64 -23.994 2.469 -12.666 1.00 0.00 H new ATOM 0 HG21 VAL P 64 -23.750 0.609 -10.286 1.00 0.00 H new ATOM 0 HG22 VAL P 64 -22.672 1.992 -10.593 1.00 0.00 H new ATOM 0 HG23 VAL P 64 -23.504 1.842 -9.027 1.00 0.00 H new ATOM 1155 N THR P 65 -25.569 5.556 -12.011 1.00 0.00 N ATOM 1156 CA THR P 65 -26.583 6.448 -12.615 1.00 0.00 C ATOM 1157 C THR P 65 -27.237 5.888 -13.887 1.00 0.00 C ATOM 1158 O THR P 65 -28.200 6.465 -14.395 1.00 0.00 O ATOM 1159 CB THR P 65 -25.981 7.836 -12.899 1.00 0.00 C ATOM 1160 OG1 THR P 65 -24.818 7.733 -13.703 1.00 0.00 O ATOM 1161 CG2 THR P 65 -25.567 8.532 -11.603 1.00 0.00 C ATOM 0 H THR P 65 -24.668 5.595 -12.487 1.00 0.00 H new ATOM 0 HA THR P 65 -27.379 6.529 -11.875 1.00 0.00 H new ATOM 0 HB THR P 65 -26.754 8.408 -13.412 1.00 0.00 H new ATOM 0 HG1 THR P 65 -24.456 8.628 -13.871 1.00 0.00 H new ATOM 0 HG21 THR P 65 -25.145 9.510 -11.834 1.00 0.00 H new ATOM 0 HG22 THR P 65 -26.440 8.655 -10.962 1.00 0.00 H new ATOM 0 HG23 THR P 65 -24.821 7.927 -11.088 1.00 0.00 H new ATOM 1169 N ASP P 66 -26.725 4.765 -14.402 1.00 0.00 N ATOM 1170 CA ASP P 66 -27.235 4.042 -15.584 1.00 0.00 C ATOM 1171 C ASP P 66 -28.613 3.376 -15.362 1.00 0.00 C ATOM 1172 O ASP P 66 -29.496 3.538 -16.235 1.00 0.00 O ATOM 1173 CB ASP P 66 -26.182 3.013 -16.038 1.00 0.00 C ATOM 1174 CG ASP P 66 -26.595 2.248 -17.316 1.00 0.00 C ATOM 1175 OD1 ASP P 66 -26.545 2.841 -18.423 1.00 0.00 O ATOM 1176 OD2 ASP P 66 -26.936 1.042 -17.227 1.00 0.00 O ATOM 1177 OXT ASP P 66 -28.808 2.700 -14.324 1.00 0.00 O ATOM 0 H ASP P 66 -25.908 4.311 -13.993 1.00 0.00 H new ATOM 0 HA ASP P 66 -27.402 4.779 -16.370 1.00 0.00 H new ATOM 0 HB2 ASP P 66 -25.236 3.524 -16.217 1.00 0.00 H new ATOM 0 HB3 ASP P 66 -26.010 2.298 -15.233 1.00 0.00 H new TER 1182 ASP P 66