USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 663 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 34 GLN : amide:sc= -0.0878 K(o=-0.44,f=-3.1) USER MOD Set 1.2: A 38 ASN : amide:sc= -0.354 K(o=-0.44,f=-3.1!) USER MOD Single : A 4 LYS NZ :NH3+ -163:sc= 1.13 (180deg=0.98) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.458! C(o=-0.46!,f=-6.8!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 MET CE :methyl 160:sc= -0.169 (180deg=-0.774) USER MOD Single : A 21 HIS : +bothHN:sc= -0.692 K(o=-0.69,f=-3.6!) USER MOD Single : A 27 HIS : no HD1:sc= -0.946! C(o=-0.95!,f=-5.4!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= -0.0414 (180deg=-0.375) USER MOD Single : A 42 SER OG : rot 59:sc= 1.2 USER MOD Single : A 47 LYS NZ :NH3+ -170:sc= 1.25 (180deg=0.995) USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= -0.34 (180deg=-1.27) USER MOD Single : A 57 GLN :FLIP amide:sc= -0.0499 F(o=-0.57,f=-0.05) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0156 USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0.0992 USER MOD Single : A 74 GLN : amide:sc= -0.879 X(o=-0.88,f=-0.61) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -11.954 4.433 -2.748 1.00 0.00 N ATOM 2 CA GLY A 2 -11.083 5.369 -2.057 1.00 0.00 C ATOM 3 C GLY A 2 -9.679 5.294 -2.586 1.00 0.00 C ATOM 4 O GLY A 2 -9.431 4.650 -3.605 1.00 0.00 O ATOM 0 HA2 GLY A 2 -11.466 6.383 -2.176 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -11.084 5.151 -0.989 1.00 0.00 H new ATOM 10 N ILE A 3 -8.776 5.978 -1.910 1.00 0.00 N ATOM 11 CA ILE A 3 -7.333 6.026 -2.205 1.00 0.00 C ATOM 12 C ILE A 3 -6.949 6.855 -3.449 1.00 0.00 C ATOM 13 O ILE A 3 -6.000 7.625 -3.401 1.00 0.00 O ATOM 14 CB ILE A 3 -6.622 4.621 -2.171 1.00 0.00 C ATOM 15 CG1 ILE A 3 -5.367 4.687 -1.305 1.00 0.00 C ATOM 16 CG2 ILE A 3 -6.262 4.090 -3.567 1.00 0.00 C ATOM 17 CD1 ILE A 3 -5.619 5.037 0.158 1.00 0.00 C ATOM 0 H ILE A 3 -9.027 6.546 -1.101 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.930 6.586 -1.361 1.00 0.00 H new ATOM 0 HB ILE A 3 -7.339 3.922 -1.741 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -4.859 3.724 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -4.688 5.426 -1.729 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -5.775 3.119 -3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.170 3.985 -4.161 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -5.585 4.789 -4.059 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.671 5.061 0.695 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.096 6.015 0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -6.270 4.286 0.605 1.00 0.00 H new ATOM 29 N LYS A 4 -7.733 6.768 -4.514 1.00 0.00 N ATOM 30 CA LYS A 4 -7.446 7.464 -5.786 1.00 0.00 C ATOM 31 C LYS A 4 -7.807 8.951 -5.716 1.00 0.00 C ATOM 32 O LYS A 4 -7.997 9.609 -6.734 1.00 0.00 O ATOM 33 CB LYS A 4 -8.207 6.796 -6.934 1.00 0.00 C ATOM 34 CG LYS A 4 -7.754 5.385 -7.261 1.00 0.00 C ATOM 35 CD LYS A 4 -8.608 4.792 -8.368 1.00 0.00 C ATOM 36 CE LYS A 4 -8.153 3.393 -8.753 1.00 0.00 C ATOM 37 NZ LYS A 4 -6.870 3.405 -9.481 1.00 0.00 N ATOM 0 H LYS A 4 -8.590 6.215 -4.533 1.00 0.00 H new ATOM 0 HA LYS A 4 -6.374 7.391 -5.967 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -9.268 6.773 -6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.103 7.412 -7.827 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -6.708 5.395 -7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.819 4.761 -6.370 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -9.648 4.758 -8.044 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.567 5.440 -9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -8.053 2.785 -7.854 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -8.916 2.922 -9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -6.739 2.496 -9.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -6.875 4.175 -10.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -6.091 3.553 -8.808 1.00 0.00 H new ATOM 51 N GLN A 5 -7.837 9.468 -4.523 1.00 0.00 N ATOM 52 CA GLN A 5 -8.191 10.834 -4.273 1.00 0.00 C ATOM 53 C GLN A 5 -7.198 11.474 -3.314 1.00 0.00 C ATOM 54 O GLN A 5 -7.402 12.587 -2.854 1.00 0.00 O ATOM 55 CB GLN A 5 -9.605 10.897 -3.708 1.00 0.00 C ATOM 56 CG GLN A 5 -9.817 10.058 -2.460 1.00 0.00 C ATOM 57 CD GLN A 5 -11.249 10.075 -2.002 1.00 0.00 C ATOM 58 OE1 GLN A 5 -11.650 10.907 -1.210 1.00 0.00 O ATOM 59 NE2 GLN A 5 -12.033 9.171 -2.514 1.00 0.00 N ATOM 0 H GLN A 5 -7.611 8.941 -3.679 1.00 0.00 H new ATOM 0 HA GLN A 5 -8.159 11.391 -5.210 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.846 11.935 -3.479 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -10.306 10.569 -4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.513 9.030 -2.659 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -9.177 10.431 -1.660 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.661 8.489 -3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -13.019 9.144 -2.254 1.00 0.00 H new ATOM 68 N TYR A 6 -6.124 10.772 -3.017 1.00 0.00 N ATOM 69 CA TYR A 6 -5.112 11.297 -2.104 1.00 0.00 C ATOM 70 C TYR A 6 -3.865 11.688 -2.826 1.00 0.00 C ATOM 71 O TYR A 6 -3.567 11.173 -3.896 1.00 0.00 O ATOM 72 CB TYR A 6 -4.767 10.304 -1.021 1.00 0.00 C ATOM 73 CG TYR A 6 -5.912 9.969 -0.131 1.00 0.00 C ATOM 74 CD1 TYR A 6 -6.545 10.943 0.623 1.00 0.00 C ATOM 75 CD2 TYR A 6 -6.365 8.685 -0.050 1.00 0.00 C ATOM 76 CE1 TYR A 6 -7.608 10.628 1.427 1.00 0.00 C ATOM 77 CE2 TYR A 6 -7.421 8.354 0.751 1.00 0.00 C ATOM 78 CZ TYR A 6 -8.044 9.327 1.488 1.00 0.00 C ATOM 79 OH TYR A 6 -9.121 8.999 2.269 1.00 0.00 O ATOM 0 H TYR A 6 -5.924 9.843 -3.388 1.00 0.00 H new ATOM 0 HA TYR A 6 -5.548 12.184 -1.645 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -4.398 9.389 -1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.954 10.706 -0.417 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -6.196 11.964 0.576 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.879 7.915 -0.631 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -8.099 11.395 2.007 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.763 7.331 0.803 1.00 0.00 H new ATOM 0 HH TYR A 6 -9.297 8.038 2.197 1.00 0.00 H new ATOM 89 N SER A 7 -3.148 12.594 -2.231 1.00 0.00 N ATOM 90 CA SER A 7 -1.924 13.082 -2.768 1.00 0.00 C ATOM 91 C SER A 7 -0.726 12.252 -2.271 1.00 0.00 C ATOM 92 O SER A 7 -0.853 11.416 -1.368 1.00 0.00 O ATOM 93 CB SER A 7 -1.807 14.551 -2.417 1.00 0.00 C ATOM 94 OG SER A 7 -2.951 15.244 -2.896 1.00 0.00 O ATOM 0 H SER A 7 -3.407 13.020 -1.341 1.00 0.00 H new ATOM 0 HA SER A 7 -1.918 12.980 -3.853 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.721 14.672 -1.337 1.00 0.00 H new ATOM 0 HB3 SER A 7 -0.903 14.971 -2.858 1.00 0.00 H new ATOM 0 HG SER A 7 -2.877 16.194 -2.668 1.00 0.00 H new ATOM 100 N GLN A 8 0.409 12.516 -2.857 1.00 0.00 N ATOM 101 CA GLN A 8 1.629 11.760 -2.677 1.00 0.00 C ATOM 102 C GLN A 8 2.101 11.630 -1.204 1.00 0.00 C ATOM 103 O GLN A 8 2.347 10.515 -0.725 1.00 0.00 O ATOM 104 CB GLN A 8 2.705 12.407 -3.522 1.00 0.00 C ATOM 105 CG GLN A 8 4.017 11.711 -3.467 1.00 0.00 C ATOM 106 CD GLN A 8 5.077 12.424 -4.283 1.00 0.00 C ATOM 107 OE1 GLN A 8 5.275 12.130 -5.448 1.00 0.00 O ATOM 108 NE2 GLN A 8 5.704 13.400 -3.709 1.00 0.00 N ATOM 0 H GLN A 8 0.519 13.298 -3.503 1.00 0.00 H new ATOM 0 HA GLN A 8 1.426 10.736 -2.992 1.00 0.00 H new ATOM 0 HB2 GLN A 8 2.367 12.442 -4.558 1.00 0.00 H new ATOM 0 HB3 GLN A 8 2.838 13.438 -3.195 1.00 0.00 H new ATOM 0 HG2 GLN A 8 4.346 11.640 -2.430 1.00 0.00 H new ATOM 0 HG3 GLN A 8 3.902 10.692 -3.835 1.00 0.00 H new ATOM 0 HE21 GLN A 8 5.516 13.622 -2.731 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.386 13.947 -4.234 1.00 0.00 H new ATOM 117 N GLU A 9 2.208 12.742 -0.500 1.00 0.00 N ATOM 118 CA GLU A 9 2.709 12.733 0.888 1.00 0.00 C ATOM 119 C GLU A 9 1.708 12.095 1.800 1.00 0.00 C ATOM 120 O GLU A 9 2.059 11.346 2.690 1.00 0.00 O ATOM 121 CB GLU A 9 3.054 14.137 1.407 1.00 0.00 C ATOM 122 CG GLU A 9 4.210 14.813 0.717 1.00 0.00 C ATOM 123 CD GLU A 9 3.961 15.128 -0.732 1.00 0.00 C ATOM 124 OE1 GLU A 9 2.920 15.744 -1.051 1.00 0.00 O ATOM 125 OE2 GLU A 9 4.769 14.728 -1.575 1.00 0.00 O ATOM 0 H GLU A 9 1.959 13.666 -0.853 1.00 0.00 H new ATOM 0 HA GLU A 9 3.631 12.152 0.880 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.172 14.770 1.307 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.278 14.068 2.472 1.00 0.00 H new ATOM 0 HG2 GLU A 9 4.443 15.738 1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.089 14.173 0.793 1.00 0.00 H new ATOM 132 N GLU A 10 0.465 12.372 1.511 1.00 0.00 N ATOM 133 CA GLU A 10 -0.694 11.840 2.239 1.00 0.00 C ATOM 134 C GLU A 10 -0.577 10.304 2.327 1.00 0.00 C ATOM 135 O GLU A 10 -0.647 9.717 3.394 1.00 0.00 O ATOM 136 CB GLU A 10 -1.943 12.203 1.421 1.00 0.00 C ATOM 137 CG GLU A 10 -3.298 11.787 1.996 1.00 0.00 C ATOM 138 CD GLU A 10 -3.874 12.753 2.997 1.00 0.00 C ATOM 139 OE1 GLU A 10 -4.292 13.847 2.583 1.00 0.00 O ATOM 140 OE2 GLU A 10 -3.972 12.434 4.186 1.00 0.00 O ATOM 0 H GLU A 10 0.205 12.991 0.743 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.748 12.252 3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.953 13.284 1.280 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.843 11.754 0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.006 11.668 1.176 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.193 10.811 2.470 1.00 0.00 H new ATOM 147 N LEU A 11 -0.343 9.705 1.188 1.00 0.00 N ATOM 148 CA LEU A 11 -0.271 8.267 1.034 1.00 0.00 C ATOM 149 C LEU A 11 0.976 7.621 1.648 1.00 0.00 C ATOM 150 O LEU A 11 0.881 6.558 2.243 1.00 0.00 O ATOM 151 CB LEU A 11 -0.352 7.942 -0.436 1.00 0.00 C ATOM 152 CG LEU A 11 -1.664 8.301 -1.102 1.00 0.00 C ATOM 153 CD1 LEU A 11 -1.493 8.327 -2.592 1.00 0.00 C ATOM 154 CD2 LEU A 11 -2.732 7.295 -0.713 1.00 0.00 C ATOM 0 H LEU A 11 -0.193 10.213 0.317 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.110 7.846 1.587 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.454 8.463 -0.952 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.176 6.874 -0.566 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.974 9.291 -0.768 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.441 8.586 -3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.741 9.069 -2.859 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.172 7.345 -2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.673 7.559 -1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -2.427 6.299 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.864 7.304 0.369 1.00 0.00 H new ATOM 166 N LYS A 12 2.138 8.261 1.522 1.00 0.00 N ATOM 167 CA LYS A 12 3.401 7.621 1.956 1.00 0.00 C ATOM 168 C LYS A 12 3.442 7.360 3.464 1.00 0.00 C ATOM 169 O LYS A 12 4.043 6.380 3.922 1.00 0.00 O ATOM 170 CB LYS A 12 4.645 8.418 1.523 1.00 0.00 C ATOM 171 CG LYS A 12 4.780 9.781 2.182 1.00 0.00 C ATOM 172 CD LYS A 12 6.096 10.459 1.840 1.00 0.00 C ATOM 173 CE LYS A 12 6.233 10.764 0.364 1.00 0.00 C ATOM 174 NZ LYS A 12 7.508 11.435 0.076 1.00 0.00 N ATOM 0 H LYS A 12 2.242 9.199 1.134 1.00 0.00 H new ATOM 0 HA LYS A 12 3.423 6.657 1.448 1.00 0.00 H new ATOM 0 HB2 LYS A 12 5.535 7.830 1.748 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.617 8.552 0.442 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.953 10.418 1.867 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.702 9.669 3.263 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.180 11.386 2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.921 9.819 2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 12 6.169 9.839 -0.209 1.00 0.00 H new ATOM 0 HE3 LYS A 12 5.405 11.396 0.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.574 11.632 -0.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 7.557 12.329 0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.296 10.820 0.362 1.00 0.00 H new ATOM 188 N GLU A 13 2.783 8.205 4.220 1.00 0.00 N ATOM 189 CA GLU A 13 2.772 8.075 5.657 1.00 0.00 C ATOM 190 C GLU A 13 1.563 7.294 6.161 1.00 0.00 C ATOM 191 O GLU A 13 1.287 7.232 7.359 1.00 0.00 O ATOM 192 CB GLU A 13 2.995 9.431 6.345 1.00 0.00 C ATOM 193 CG GLU A 13 2.220 10.596 5.770 1.00 0.00 C ATOM 194 CD GLU A 13 2.757 11.917 6.270 1.00 0.00 C ATOM 195 OE1 GLU A 13 3.791 12.373 5.769 1.00 0.00 O ATOM 196 OE2 GLU A 13 2.167 12.524 7.176 1.00 0.00 O ATOM 0 H GLU A 13 2.245 8.994 3.862 1.00 0.00 H new ATOM 0 HA GLU A 13 3.625 7.462 5.947 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.734 9.330 7.398 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.058 9.669 6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.273 10.569 4.682 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.168 10.504 6.040 1.00 0.00 H new ATOM 203 N MET A 14 0.888 6.647 5.239 1.00 0.00 N ATOM 204 CA MET A 14 -0.195 5.751 5.562 1.00 0.00 C ATOM 205 C MET A 14 0.286 4.336 5.353 1.00 0.00 C ATOM 206 O MET A 14 1.158 4.090 4.499 1.00 0.00 O ATOM 207 CB MET A 14 -1.424 5.997 4.680 1.00 0.00 C ATOM 208 CG MET A 14 -2.112 7.321 4.906 1.00 0.00 C ATOM 209 SD MET A 14 -3.545 7.543 3.832 1.00 0.00 S ATOM 210 CE MET A 14 -4.127 9.122 4.414 1.00 0.00 C ATOM 0 H MET A 14 1.077 6.729 4.240 1.00 0.00 H new ATOM 0 HA MET A 14 -0.490 5.923 6.597 1.00 0.00 H new ATOM 0 HB2 MET A 14 -1.122 5.935 3.635 1.00 0.00 H new ATOM 0 HB3 MET A 14 -2.143 5.196 4.852 1.00 0.00 H new ATOM 0 HG2 MET A 14 -2.427 7.391 5.947 1.00 0.00 H new ATOM 0 HG3 MET A 14 -1.403 8.130 4.733 1.00 0.00 H new ATOM 0 HE1 MET A 14 -4.766 9.576 3.657 1.00 0.00 H new ATOM 0 HE2 MET A 14 -4.696 8.984 5.333 1.00 0.00 H new ATOM 0 HE3 MET A 14 -3.276 9.774 4.609 1.00 0.00 H new ATOM 220 N ALA A 15 -0.231 3.420 6.133 1.00 0.00 N ATOM 221 CA ALA A 15 0.092 2.027 5.978 1.00 0.00 C ATOM 222 C ALA A 15 -0.482 1.549 4.656 1.00 0.00 C ATOM 223 O ALA A 15 -1.663 1.783 4.355 1.00 0.00 O ATOM 224 CB ALA A 15 -0.470 1.226 7.138 1.00 0.00 C ATOM 0 H ALA A 15 -0.885 3.619 6.890 1.00 0.00 H new ATOM 0 HA ALA A 15 1.173 1.887 5.976 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -0.219 0.173 7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.042 1.589 8.072 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -1.554 1.339 7.167 1.00 0.00 H new ATOM 230 N LEU A 16 0.323 0.879 3.869 1.00 0.00 N ATOM 231 CA LEU A 16 -0.099 0.497 2.546 1.00 0.00 C ATOM 232 C LEU A 16 -1.159 -0.595 2.510 1.00 0.00 C ATOM 233 O LEU A 16 -1.761 -0.822 1.473 1.00 0.00 O ATOM 234 CB LEU A 16 1.041 0.308 1.505 1.00 0.00 C ATOM 235 CG LEU A 16 2.115 -0.773 1.721 1.00 0.00 C ATOM 236 CD1 LEU A 16 2.941 -0.900 0.453 1.00 0.00 C ATOM 237 CD2 LEU A 16 3.040 -0.439 2.888 1.00 0.00 C ATOM 0 H LEU A 16 1.268 0.589 4.120 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.613 1.391 2.194 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.570 0.108 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.558 1.263 1.414 1.00 0.00 H new ATOM 0 HG LEU A 16 1.609 -1.709 1.956 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.707 -1.663 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.293 -1.183 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.417 0.055 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.781 -1.230 3.003 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.545 0.507 2.692 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.455 -0.355 3.804 1.00 0.00 H new ATOM 249 N VAL A 17 -1.405 -1.247 3.637 1.00 0.00 N ATOM 250 CA VAL A 17 -2.502 -2.204 3.720 1.00 0.00 C ATOM 251 C VAL A 17 -3.839 -1.437 3.650 1.00 0.00 C ATOM 252 O VAL A 17 -4.792 -1.868 2.991 1.00 0.00 O ATOM 253 CB VAL A 17 -2.433 -3.099 5.003 1.00 0.00 C ATOM 254 CG1 VAL A 17 -2.547 -2.288 6.291 1.00 0.00 C ATOM 255 CG2 VAL A 17 -3.484 -4.201 4.957 1.00 0.00 C ATOM 0 H VAL A 17 -0.868 -1.134 4.497 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.419 -2.889 2.876 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.446 -3.562 5.010 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.493 -2.958 7.149 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.730 -1.568 6.341 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.499 -1.758 6.304 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.414 -4.808 5.860 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.477 -3.755 4.895 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.314 -4.830 4.083 1.00 0.00 H new ATOM 265 N GLU A 18 -3.854 -0.253 4.268 1.00 0.00 N ATOM 266 CA GLU A 18 -5.003 0.635 4.256 1.00 0.00 C ATOM 267 C GLU A 18 -5.177 1.177 2.844 1.00 0.00 C ATOM 268 O GLU A 18 -6.286 1.217 2.298 1.00 0.00 O ATOM 269 CB GLU A 18 -4.792 1.768 5.282 1.00 0.00 C ATOM 270 CG GLU A 18 -4.736 1.262 6.728 1.00 0.00 C ATOM 271 CD GLU A 18 -4.370 2.324 7.746 1.00 0.00 C ATOM 272 OE1 GLU A 18 -5.097 3.321 7.897 1.00 0.00 O ATOM 273 OE2 GLU A 18 -3.331 2.169 8.427 1.00 0.00 O ATOM 0 H GLU A 18 -3.059 0.112 4.793 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.910 0.101 4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.865 2.293 5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -5.601 2.492 5.187 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.707 0.842 6.991 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.010 0.451 6.789 1.00 0.00 H new ATOM 280 N ILE A 19 -4.045 1.516 2.238 1.00 0.00 N ATOM 281 CA ILE A 19 -3.987 1.982 0.859 1.00 0.00 C ATOM 282 C ILE A 19 -4.558 0.915 -0.085 1.00 0.00 C ATOM 283 O ILE A 19 -5.437 1.201 -0.908 1.00 0.00 O ATOM 284 CB ILE A 19 -2.520 2.331 0.453 1.00 0.00 C ATOM 285 CG1 ILE A 19 -1.993 3.479 1.333 1.00 0.00 C ATOM 286 CG2 ILE A 19 -2.403 2.684 -1.036 1.00 0.00 C ATOM 287 CD1 ILE A 19 -0.566 3.883 1.042 1.00 0.00 C ATOM 0 H ILE A 19 -3.134 1.474 2.695 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.590 2.886 0.777 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.907 1.445 0.616 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.638 4.348 1.201 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.068 3.183 2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.366 2.920 -1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.729 1.836 -1.638 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.031 3.548 -1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.276 4.697 1.706 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.094 3.030 1.203 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.485 4.213 0.006 1.00 0.00 H new ATOM 299 N ALA A 20 -4.080 -0.313 0.070 1.00 0.00 N ATOM 300 CA ALA A 20 -4.534 -1.430 -0.732 1.00 0.00 C ATOM 301 C ALA A 20 -6.023 -1.683 -0.520 1.00 0.00 C ATOM 302 O ALA A 20 -6.751 -1.861 -1.464 1.00 0.00 O ATOM 303 CB ALA A 20 -3.719 -2.678 -0.430 1.00 0.00 C ATOM 0 H ALA A 20 -3.367 -0.558 0.757 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.385 -1.177 -1.782 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -4.078 -3.504 -1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.669 -2.490 -0.653 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -3.826 -2.936 0.624 1.00 0.00 H new ATOM 309 N HIS A 21 -6.463 -1.652 0.724 1.00 0.00 N ATOM 310 CA HIS A 21 -7.881 -1.839 1.063 1.00 0.00 C ATOM 311 C HIS A 21 -8.772 -0.860 0.281 1.00 0.00 C ATOM 312 O HIS A 21 -9.758 -1.267 -0.349 1.00 0.00 O ATOM 313 CB HIS A 21 -8.079 -1.633 2.566 1.00 0.00 C ATOM 314 CG HIS A 21 -9.518 -1.539 3.007 1.00 0.00 C ATOM 315 ND1 HIS A 21 -10.165 -0.348 3.207 1.00 0.00 N ATOM 316 CD2 HIS A 21 -10.436 -2.495 3.253 1.00 0.00 C ATOM 317 CE1 HIS A 21 -11.398 -0.571 3.546 1.00 0.00 C ATOM 318 NE2 HIS A 21 -11.600 -1.865 3.579 1.00 0.00 N ATOM 0 H HIS A 21 -5.859 -1.498 1.532 1.00 0.00 H new ATOM 0 HA HIS A 21 -8.170 -2.854 0.788 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -7.604 -2.458 3.097 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -7.562 -0.721 2.865 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -9.742 0.574 3.105 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -10.278 -3.562 3.201 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -12.136 0.186 3.765 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -12.481 -2.324 3.810 1.00 0.00 H new ATOM 327 N GLU A 22 -8.411 0.403 0.326 1.00 0.00 N ATOM 328 CA GLU A 22 -9.151 1.453 -0.351 1.00 0.00 C ATOM 329 C GLU A 22 -9.128 1.269 -1.852 1.00 0.00 C ATOM 330 O GLU A 22 -10.117 1.535 -2.539 1.00 0.00 O ATOM 331 CB GLU A 22 -8.574 2.794 0.016 1.00 0.00 C ATOM 332 CG GLU A 22 -8.827 3.183 1.453 1.00 0.00 C ATOM 333 CD GLU A 22 -10.296 3.256 1.738 1.00 0.00 C ATOM 334 OE1 GLU A 22 -10.902 4.313 1.482 1.00 0.00 O ATOM 335 OE2 GLU A 22 -10.878 2.252 2.177 1.00 0.00 O ATOM 0 H GLU A 22 -7.592 0.736 0.835 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.191 1.400 -0.028 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.499 2.781 -0.165 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.998 3.555 -0.639 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.359 2.457 2.118 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -8.364 4.148 1.659 1.00 0.00 H new ATOM 342 N LEU A 23 -8.005 0.813 -2.341 1.00 0.00 N ATOM 343 CA LEU A 23 -7.803 0.528 -3.745 1.00 0.00 C ATOM 344 C LEU A 23 -8.730 -0.611 -4.177 1.00 0.00 C ATOM 345 O LEU A 23 -9.399 -0.541 -5.215 1.00 0.00 O ATOM 346 CB LEU A 23 -6.337 0.140 -3.934 1.00 0.00 C ATOM 347 CG LEU A 23 -5.836 -0.170 -5.335 1.00 0.00 C ATOM 348 CD1 LEU A 23 -6.055 1.017 -6.260 1.00 0.00 C ATOM 349 CD2 LEU A 23 -4.366 -0.491 -5.238 1.00 0.00 C ATOM 0 H LEU A 23 -7.185 0.624 -1.765 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.036 1.398 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.727 0.952 -3.538 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.145 -0.735 -3.314 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.385 -1.016 -5.749 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.689 0.773 -7.257 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.119 1.248 -6.310 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -5.514 1.882 -5.876 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.977 -0.718 -6.230 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.833 0.366 -4.827 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.224 -1.353 -4.586 1.00 0.00 H new ATOM 361 N PHE A 24 -8.795 -1.626 -3.353 1.00 0.00 N ATOM 362 CA PHE A 24 -9.629 -2.773 -3.599 1.00 0.00 C ATOM 363 C PHE A 24 -11.105 -2.454 -3.539 1.00 0.00 C ATOM 364 O PHE A 24 -11.846 -2.874 -4.410 1.00 0.00 O ATOM 365 CB PHE A 24 -9.247 -3.951 -2.712 1.00 0.00 C ATOM 366 CG PHE A 24 -8.059 -4.684 -3.241 1.00 0.00 C ATOM 367 CD1 PHE A 24 -6.808 -4.120 -3.216 1.00 0.00 C ATOM 368 CD2 PHE A 24 -8.209 -5.923 -3.801 1.00 0.00 C ATOM 369 CE1 PHE A 24 -5.729 -4.779 -3.733 1.00 0.00 C ATOM 370 CE2 PHE A 24 -7.141 -6.589 -4.329 1.00 0.00 C ATOM 371 CZ PHE A 24 -5.899 -6.022 -4.295 1.00 0.00 C ATOM 0 H PHE A 24 -8.264 -1.679 -2.483 1.00 0.00 H new ATOM 0 HA PHE A 24 -9.439 -3.078 -4.628 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.034 -3.593 -1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -10.091 -4.636 -2.635 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.675 -3.140 -2.781 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.187 -6.381 -3.826 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -4.749 -4.327 -3.700 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -7.278 -7.564 -4.773 1.00 0.00 H new ATOM 0 HZ PHE A 24 -5.052 -6.549 -4.709 1.00 0.00 H new ATOM 381 N GLU A 25 -11.539 -1.696 -2.551 1.00 0.00 N ATOM 382 CA GLU A 25 -12.942 -1.304 -2.503 1.00 0.00 C ATOM 383 C GLU A 25 -13.303 -0.282 -3.572 1.00 0.00 C ATOM 384 O GLU A 25 -14.467 -0.128 -3.912 1.00 0.00 O ATOM 385 CB GLU A 25 -13.440 -0.924 -1.108 1.00 0.00 C ATOM 386 CG GLU A 25 -13.706 -2.143 -0.240 1.00 0.00 C ATOM 387 CD GLU A 25 -14.285 -1.821 1.114 1.00 0.00 C ATOM 388 OE1 GLU A 25 -15.315 -1.126 1.188 1.00 0.00 O ATOM 389 OE2 GLU A 25 -13.721 -2.257 2.131 1.00 0.00 O ATOM 0 H GLU A 25 -10.961 -1.345 -1.787 1.00 0.00 H new ATOM 0 HA GLU A 25 -13.498 -2.209 -2.749 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -12.701 -0.288 -0.621 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -14.355 -0.338 -1.198 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -14.390 -2.808 -0.767 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -12.773 -2.689 -0.103 1.00 0.00 H new ATOM 396 N GLU A 26 -12.315 0.421 -4.087 1.00 0.00 N ATOM 397 CA GLU A 26 -12.531 1.313 -5.214 1.00 0.00 C ATOM 398 C GLU A 26 -12.817 0.460 -6.459 1.00 0.00 C ATOM 399 O GLU A 26 -13.677 0.789 -7.274 1.00 0.00 O ATOM 400 CB GLU A 26 -11.290 2.183 -5.443 1.00 0.00 C ATOM 401 CG GLU A 26 -11.436 3.251 -6.517 1.00 0.00 C ATOM 402 CD GLU A 26 -12.484 4.284 -6.181 1.00 0.00 C ATOM 403 OE1 GLU A 26 -12.246 5.107 -5.285 1.00 0.00 O ATOM 404 OE2 GLU A 26 -13.567 4.285 -6.787 1.00 0.00 O ATOM 0 H GLU A 26 -11.354 0.394 -3.745 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.376 1.971 -5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.028 2.669 -4.503 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.455 1.534 -5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.477 3.748 -6.661 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.693 2.775 -7.463 1.00 0.00 H new ATOM 411 N HIS A 27 -12.106 -0.657 -6.571 1.00 0.00 N ATOM 412 CA HIS A 27 -12.282 -1.578 -7.692 1.00 0.00 C ATOM 413 C HIS A 27 -13.558 -2.407 -7.566 1.00 0.00 C ATOM 414 O HIS A 27 -14.321 -2.513 -8.526 1.00 0.00 O ATOM 415 CB HIS A 27 -11.085 -2.535 -7.836 1.00 0.00 C ATOM 416 CG HIS A 27 -9.889 -1.997 -8.567 1.00 0.00 C ATOM 417 ND1 HIS A 27 -9.549 -2.428 -9.818 1.00 0.00 N ATOM 418 CD2 HIS A 27 -8.919 -1.127 -8.203 1.00 0.00 C ATOM 419 CE1 HIS A 27 -8.435 -1.861 -10.198 1.00 0.00 C ATOM 420 NE2 HIS A 27 -8.027 -1.067 -9.242 1.00 0.00 N ATOM 0 H HIS A 27 -11.399 -0.949 -5.896 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.355 -0.950 -8.580 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -10.768 -2.839 -6.838 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -11.425 -3.434 -8.351 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.859 -0.584 -7.272 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -7.935 -2.021 -11.142 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -7.182 -0.496 -9.266 1.00 0.00 H new ATOM 429 N LYS A 28 -13.790 -2.979 -6.363 1.00 0.00 N ATOM 430 CA LYS A 28 -14.933 -3.895 -6.088 1.00 0.00 C ATOM 431 C LYS A 28 -14.792 -5.156 -6.945 1.00 0.00 C ATOM 432 O LYS A 28 -15.759 -5.846 -7.247 1.00 0.00 O ATOM 433 CB LYS A 28 -16.288 -3.189 -6.319 1.00 0.00 C ATOM 434 CG LYS A 28 -16.473 -1.984 -5.415 1.00 0.00 C ATOM 435 CD LYS A 28 -17.627 -1.097 -5.835 1.00 0.00 C ATOM 436 CE LYS A 28 -17.648 0.170 -4.986 1.00 0.00 C ATOM 437 NZ LYS A 28 -18.569 1.196 -5.506 1.00 0.00 N ATOM 0 H LYS A 28 -13.193 -2.822 -5.551 1.00 0.00 H new ATOM 0 HA LYS A 28 -14.912 -4.186 -5.038 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.357 -2.873 -7.360 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -17.098 -3.897 -6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -16.639 -2.326 -4.393 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -15.555 -1.397 -5.410 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -17.531 -0.837 -6.889 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -18.569 -1.635 -5.724 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -17.937 -0.087 -3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.641 0.585 -4.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -18.541 2.033 -4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -18.281 1.465 -6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -19.536 0.815 -5.528 1.00 0.00 H new ATOM 451 N LYS A 29 -13.552 -5.441 -7.284 1.00 0.00 N ATOM 452 CA LYS A 29 -13.133 -6.561 -8.088 1.00 0.00 C ATOM 453 C LYS A 29 -11.725 -6.902 -7.658 1.00 0.00 C ATOM 454 O LYS A 29 -10.977 -5.993 -7.265 1.00 0.00 O ATOM 455 CB LYS A 29 -13.142 -6.223 -9.597 1.00 0.00 C ATOM 456 CG LYS A 29 -14.517 -6.106 -10.240 1.00 0.00 C ATOM 457 CD LYS A 29 -15.301 -7.405 -10.095 1.00 0.00 C ATOM 458 CE LYS A 29 -16.593 -7.375 -10.888 1.00 0.00 C ATOM 459 NZ LYS A 29 -16.340 -7.261 -12.338 1.00 0.00 N ATOM 0 H LYS A 29 -12.767 -4.861 -6.987 1.00 0.00 H new ATOM 0 HA LYS A 29 -13.820 -7.395 -7.944 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -12.612 -5.282 -9.743 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.578 -6.991 -10.126 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -15.071 -5.289 -9.777 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.409 -5.859 -11.296 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.687 -8.240 -10.433 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.525 -7.579 -9.042 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -17.164 -8.282 -10.688 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -17.204 -6.535 -10.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -17.192 -7.545 -12.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -16.101 -6.276 -12.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.548 -7.881 -12.602 1.00 0.00 H new ATOM 473 N PRO A 30 -11.335 -8.185 -7.694 1.00 0.00 N ATOM 474 CA PRO A 30 -10.010 -8.608 -7.250 1.00 0.00 C ATOM 475 C PRO A 30 -8.893 -8.104 -8.165 1.00 0.00 C ATOM 476 O PRO A 30 -9.093 -7.900 -9.392 1.00 0.00 O ATOM 477 CB PRO A 30 -10.091 -10.133 -7.258 1.00 0.00 C ATOM 478 CG PRO A 30 -11.174 -10.461 -8.224 1.00 0.00 C ATOM 479 CD PRO A 30 -12.157 -9.328 -8.150 1.00 0.00 C ATOM 0 HA PRO A 30 -9.762 -8.199 -6.271 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -9.143 -10.576 -7.564 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.318 -10.520 -6.265 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -10.777 -10.567 -9.233 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -11.650 -11.407 -7.968 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -12.616 -9.131 -9.119 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -12.966 -9.544 -7.452 1.00 0.00 H new ATOM 487 N VAL A 31 -7.735 -7.882 -7.577 1.00 0.00 N ATOM 488 CA VAL A 31 -6.599 -7.337 -8.284 1.00 0.00 C ATOM 489 C VAL A 31 -5.358 -8.165 -7.924 1.00 0.00 C ATOM 490 O VAL A 31 -5.151 -8.487 -6.748 1.00 0.00 O ATOM 491 CB VAL A 31 -6.333 -5.841 -7.873 1.00 0.00 C ATOM 492 CG1 VAL A 31 -5.239 -5.216 -8.721 1.00 0.00 C ATOM 493 CG2 VAL A 31 -7.595 -4.994 -7.943 1.00 0.00 C ATOM 0 H VAL A 31 -7.557 -8.076 -6.592 1.00 0.00 H new ATOM 0 HA VAL A 31 -6.807 -7.374 -9.353 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.000 -5.862 -6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.082 -4.183 -8.409 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.314 -5.778 -8.593 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.535 -5.238 -9.770 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -7.363 -3.970 -7.651 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -7.982 -5.002 -8.962 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -8.346 -5.403 -7.266 1.00 0.00 H new ATOM 503 N PRO A 32 -4.559 -8.584 -8.919 1.00 0.00 N ATOM 504 CA PRO A 32 -3.291 -9.263 -8.665 1.00 0.00 C ATOM 505 C PRO A 32 -2.285 -8.302 -8.025 1.00 0.00 C ATOM 506 O PRO A 32 -2.350 -7.072 -8.254 1.00 0.00 O ATOM 507 CB PRO A 32 -2.812 -9.684 -10.065 1.00 0.00 C ATOM 508 CG PRO A 32 -4.029 -9.616 -10.914 1.00 0.00 C ATOM 509 CD PRO A 32 -4.843 -8.493 -10.355 1.00 0.00 C ATOM 0 HA PRO A 32 -3.394 -10.105 -7.980 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -2.033 -9.017 -10.435 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -2.392 -10.690 -10.054 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.770 -9.432 -11.957 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -4.582 -10.555 -10.883 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.544 -7.530 -10.768 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.905 -8.616 -10.568 1.00 0.00 H new ATOM 517 N PHE A 33 -1.357 -8.860 -7.264 1.00 0.00 N ATOM 518 CA PHE A 33 -0.359 -8.113 -6.502 1.00 0.00 C ATOM 519 C PHE A 33 0.385 -7.098 -7.366 1.00 0.00 C ATOM 520 O PHE A 33 0.501 -5.937 -7.004 1.00 0.00 O ATOM 521 CB PHE A 33 0.638 -9.084 -5.838 1.00 0.00 C ATOM 522 CG PHE A 33 1.628 -8.429 -4.897 1.00 0.00 C ATOM 523 CD1 PHE A 33 2.855 -7.962 -5.357 1.00 0.00 C ATOM 524 CD2 PHE A 33 1.327 -8.288 -3.552 1.00 0.00 C ATOM 525 CE1 PHE A 33 3.755 -7.369 -4.493 1.00 0.00 C ATOM 526 CE2 PHE A 33 2.225 -7.700 -2.684 1.00 0.00 C ATOM 527 CZ PHE A 33 3.440 -7.237 -3.152 1.00 0.00 C ATOM 0 H PHE A 33 -1.272 -9.870 -7.154 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.888 -7.554 -5.731 1.00 0.00 H new ATOM 0 HB2 PHE A 33 0.077 -9.838 -5.286 1.00 0.00 H new ATOM 0 HB3 PHE A 33 1.191 -9.606 -6.619 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.107 -8.064 -6.402 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.378 -8.643 -3.178 1.00 0.00 H new ATOM 0 HE1 PHE A 33 4.703 -7.009 -4.864 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.978 -7.602 -1.637 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.141 -6.774 -2.474 1.00 0.00 H new ATOM 537 N GLN A 34 0.831 -7.529 -8.523 1.00 0.00 N ATOM 538 CA GLN A 34 1.628 -6.685 -9.399 1.00 0.00 C ATOM 539 C GLN A 34 0.808 -5.467 -9.916 1.00 0.00 C ATOM 540 O GLN A 34 1.333 -4.359 -10.042 1.00 0.00 O ATOM 541 CB GLN A 34 2.190 -7.542 -10.553 1.00 0.00 C ATOM 542 CG GLN A 34 3.624 -7.192 -10.966 1.00 0.00 C ATOM 543 CD GLN A 34 3.771 -5.866 -11.677 1.00 0.00 C ATOM 544 OE1 GLN A 34 2.885 -5.432 -12.403 1.00 0.00 O ATOM 545 NE2 GLN A 34 4.865 -5.201 -11.446 1.00 0.00 N ATOM 0 H GLN A 34 0.656 -8.466 -8.886 1.00 0.00 H new ATOM 0 HA GLN A 34 2.464 -6.269 -8.837 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.156 -8.591 -10.259 1.00 0.00 H new ATOM 0 HB3 GLN A 34 1.539 -7.433 -11.420 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.252 -7.183 -10.075 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.003 -7.981 -11.615 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.581 -5.594 -10.836 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.006 -4.287 -11.875 1.00 0.00 H new ATOM 554 N GLU A 35 -0.494 -5.650 -10.114 1.00 0.00 N ATOM 555 CA GLU A 35 -1.312 -4.587 -10.657 1.00 0.00 C ATOM 556 C GLU A 35 -1.675 -3.568 -9.595 1.00 0.00 C ATOM 557 O GLU A 35 -1.655 -2.357 -9.862 1.00 0.00 O ATOM 558 CB GLU A 35 -2.551 -5.123 -11.366 1.00 0.00 C ATOM 559 CG GLU A 35 -2.226 -5.952 -12.597 1.00 0.00 C ATOM 560 CD GLU A 35 -3.452 -6.339 -13.381 1.00 0.00 C ATOM 561 OE1 GLU A 35 -4.125 -5.445 -13.928 1.00 0.00 O ATOM 562 OE2 GLU A 35 -3.772 -7.551 -13.473 1.00 0.00 O ATOM 0 H GLU A 35 -0.994 -6.515 -9.908 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.712 -4.077 -11.410 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.126 -5.731 -10.668 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -3.186 -4.286 -11.657 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.551 -5.388 -13.241 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.696 -6.854 -12.292 1.00 0.00 H new ATOM 569 N LEU A 36 -1.962 -4.051 -8.381 1.00 0.00 N ATOM 570 CA LEU A 36 -2.293 -3.165 -7.262 1.00 0.00 C ATOM 571 C LEU A 36 -1.066 -2.331 -6.917 1.00 0.00 C ATOM 572 O LEU A 36 -1.157 -1.148 -6.601 1.00 0.00 O ATOM 573 CB LEU A 36 -2.815 -3.990 -6.023 1.00 0.00 C ATOM 574 CG LEU A 36 -1.823 -4.947 -5.288 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.950 -4.221 -4.273 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.543 -6.103 -4.626 1.00 0.00 C ATOM 0 H LEU A 36 -1.972 -5.044 -8.150 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.103 -2.494 -7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.194 -3.279 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.664 -4.587 -6.357 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.166 -5.345 -6.062 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.280 -4.934 -3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.362 -3.456 -4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.582 -3.752 -3.519 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.818 -6.745 -4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.253 -5.718 -3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.078 -6.679 -5.381 1.00 0.00 H new ATOM 588 N LEU A 37 0.079 -2.974 -7.051 1.00 0.00 N ATOM 589 CA LEU A 37 1.374 -2.408 -6.772 1.00 0.00 C ATOM 590 C LEU A 37 1.625 -1.200 -7.662 1.00 0.00 C ATOM 591 O LEU A 37 2.037 -0.129 -7.191 1.00 0.00 O ATOM 592 CB LEU A 37 2.405 -3.487 -7.040 1.00 0.00 C ATOM 593 CG LEU A 37 3.841 -3.174 -6.736 1.00 0.00 C ATOM 594 CD1 LEU A 37 4.018 -2.912 -5.249 1.00 0.00 C ATOM 595 CD2 LEU A 37 4.706 -4.331 -7.196 1.00 0.00 C ATOM 0 H LEU A 37 0.128 -3.942 -7.370 1.00 0.00 H new ATOM 0 HA LEU A 37 1.433 -2.072 -5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.125 -4.368 -6.463 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.338 -3.761 -8.093 1.00 0.00 H new ATOM 0 HG LEU A 37 4.145 -2.273 -7.268 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.064 -2.686 -5.041 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.398 -2.066 -4.952 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.719 -3.796 -4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.752 -4.112 -6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.409 -5.239 -6.671 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.581 -4.475 -8.269 1.00 0.00 H new ATOM 607 N ASN A 38 1.343 -1.371 -8.942 1.00 0.00 N ATOM 608 CA ASN A 38 1.498 -0.306 -9.921 1.00 0.00 C ATOM 609 C ASN A 38 0.592 0.863 -9.612 1.00 0.00 C ATOM 610 O ASN A 38 1.020 2.018 -9.694 1.00 0.00 O ATOM 611 CB ASN A 38 1.268 -0.815 -11.352 1.00 0.00 C ATOM 612 CG ASN A 38 2.437 -1.618 -11.886 1.00 0.00 C ATOM 613 OD1 ASN A 38 3.588 -1.353 -11.553 1.00 0.00 O ATOM 614 ND2 ASN A 38 2.163 -2.596 -12.701 1.00 0.00 N ATOM 0 H ASN A 38 1.001 -2.249 -9.332 1.00 0.00 H new ATOM 0 HA ASN A 38 2.529 0.043 -9.856 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.370 -1.432 -11.373 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.086 0.035 -12.010 1.00 0.00 H new ATOM 0 HD21 ASN A 38 2.916 -3.168 -13.083 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.195 -2.790 -12.958 1.00 0.00 H new ATOM 621 N GLU A 39 -0.645 0.573 -9.211 1.00 0.00 N ATOM 622 CA GLU A 39 -1.591 1.626 -8.872 1.00 0.00 C ATOM 623 C GLU A 39 -1.136 2.397 -7.646 1.00 0.00 C ATOM 624 O GLU A 39 -1.212 3.630 -7.626 1.00 0.00 O ATOM 625 CB GLU A 39 -3.004 1.098 -8.665 1.00 0.00 C ATOM 626 CG GLU A 39 -3.624 0.471 -9.891 1.00 0.00 C ATOM 627 CD GLU A 39 -5.080 0.167 -9.690 1.00 0.00 C ATOM 628 OE1 GLU A 39 -5.417 -0.915 -9.218 1.00 0.00 O ATOM 629 OE2 GLU A 39 -5.926 1.033 -9.992 1.00 0.00 O ATOM 0 H GLU A 39 -1.010 -0.375 -9.115 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.617 2.302 -9.727 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.989 0.360 -7.863 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.640 1.918 -8.331 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.508 1.144 -10.741 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -3.092 -0.448 -10.137 1.00 0.00 H new ATOM 636 N ILE A 40 -0.636 1.676 -6.639 1.00 0.00 N ATOM 637 CA ILE A 40 -0.120 2.300 -5.423 1.00 0.00 C ATOM 638 C ILE A 40 0.981 3.288 -5.778 1.00 0.00 C ATOM 639 O ILE A 40 0.903 4.441 -5.414 1.00 0.00 O ATOM 640 CB ILE A 40 0.407 1.254 -4.380 1.00 0.00 C ATOM 641 CG1 ILE A 40 -0.745 0.363 -3.883 1.00 0.00 C ATOM 642 CG2 ILE A 40 1.094 1.953 -3.197 1.00 0.00 C ATOM 643 CD1 ILE A 40 -0.324 -0.713 -2.897 1.00 0.00 C ATOM 0 H ILE A 40 -0.579 0.658 -6.644 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.952 2.823 -4.951 1.00 0.00 H new ATOM 0 HB ILE A 40 1.146 0.625 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -1.500 0.994 -3.414 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.217 -0.113 -4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 40 1.450 1.205 -2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.938 2.539 -3.561 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.382 2.612 -2.701 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.196 -1.294 -2.598 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.407 -1.371 -3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.120 -0.247 -2.017 1.00 0.00 H new ATOM 655 N ALA A 41 1.944 2.834 -6.566 1.00 0.00 N ATOM 656 CA ALA A 41 3.070 3.666 -6.998 1.00 0.00 C ATOM 657 C ALA A 41 2.628 4.849 -7.841 1.00 0.00 C ATOM 658 O ALA A 41 3.326 5.858 -7.926 1.00 0.00 O ATOM 659 CB ALA A 41 4.108 2.860 -7.736 1.00 0.00 C ATOM 0 H ALA A 41 1.972 1.880 -6.927 1.00 0.00 H new ATOM 0 HA ALA A 41 3.521 4.059 -6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 41 4.927 3.512 -8.040 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.492 2.076 -7.083 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.657 2.408 -8.619 1.00 0.00 H new ATOM 665 N SER A 42 1.530 4.696 -8.534 1.00 0.00 N ATOM 666 CA SER A 42 1.038 5.765 -9.349 1.00 0.00 C ATOM 667 C SER A 42 0.449 6.904 -8.488 1.00 0.00 C ATOM 668 O SER A 42 0.827 8.065 -8.653 1.00 0.00 O ATOM 669 CB SER A 42 0.025 5.259 -10.365 1.00 0.00 C ATOM 670 OG SER A 42 0.585 4.232 -11.176 1.00 0.00 O ATOM 0 H SER A 42 0.966 3.846 -8.548 1.00 0.00 H new ATOM 0 HA SER A 42 1.884 6.176 -9.901 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.856 4.879 -9.847 1.00 0.00 H new ATOM 0 HB3 SER A 42 -0.307 6.084 -10.995 1.00 0.00 H new ATOM 0 HG SER A 42 0.874 3.487 -10.608 1.00 0.00 H new ATOM 676 N LEU A 43 -0.467 6.568 -7.577 1.00 0.00 N ATOM 677 CA LEU A 43 -1.064 7.585 -6.697 1.00 0.00 C ATOM 678 C LEU A 43 -0.029 8.094 -5.716 1.00 0.00 C ATOM 679 O LEU A 43 0.180 9.303 -5.567 1.00 0.00 O ATOM 680 CB LEU A 43 -2.305 7.061 -5.924 1.00 0.00 C ATOM 681 CG LEU A 43 -3.632 6.872 -6.692 1.00 0.00 C ATOM 682 CD1 LEU A 43 -4.068 8.158 -7.379 1.00 0.00 C ATOM 683 CD2 LEU A 43 -3.572 5.721 -7.674 1.00 0.00 C ATOM 0 H LEU A 43 -0.809 5.619 -7.427 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.404 8.397 -7.339 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.038 6.100 -5.483 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.495 7.748 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.387 6.616 -5.948 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.005 7.988 -7.909 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.211 8.939 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.301 8.470 -8.088 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.529 5.631 -8.188 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.784 5.906 -8.404 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.359 4.796 -7.138 1.00 0.00 H new ATOM 695 N LEU A 44 0.627 7.167 -5.077 1.00 0.00 N ATOM 696 CA LEU A 44 1.659 7.449 -4.123 1.00 0.00 C ATOM 697 C LEU A 44 2.925 7.633 -4.938 1.00 0.00 C ATOM 698 O LEU A 44 3.535 6.674 -5.341 1.00 0.00 O ATOM 699 CB LEU A 44 1.724 6.249 -3.119 1.00 0.00 C ATOM 700 CG LEU A 44 2.655 6.304 -1.893 1.00 0.00 C ATOM 701 CD1 LEU A 44 2.304 5.175 -0.947 1.00 0.00 C ATOM 702 CD2 LEU A 44 4.084 6.131 -2.293 1.00 0.00 C ATOM 0 H LEU A 44 0.454 6.171 -5.209 1.00 0.00 H new ATOM 0 HA LEU A 44 1.493 8.345 -3.525 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.712 6.085 -2.747 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.000 5.364 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 44 2.525 7.276 -1.417 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.961 5.211 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.268 5.280 -0.623 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.429 4.220 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.718 6.174 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.210 5.165 -2.783 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.368 6.927 -2.981 1.00 0.00 H new ATOM 714 N GLY A 45 3.233 8.886 -5.238 1.00 0.00 N ATOM 715 CA GLY A 45 4.343 9.252 -6.143 1.00 0.00 C ATOM 716 C GLY A 45 5.730 8.739 -5.748 1.00 0.00 C ATOM 717 O GLY A 45 6.512 9.433 -5.070 1.00 0.00 O ATOM 0 H GLY A 45 2.726 9.689 -4.866 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.110 8.879 -7.140 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.386 10.339 -6.212 1.00 0.00 H new ATOM 721 N VAL A 46 6.030 7.536 -6.161 1.00 0.00 N ATOM 722 CA VAL A 46 7.316 6.903 -5.935 1.00 0.00 C ATOM 723 C VAL A 46 7.706 6.081 -7.129 1.00 0.00 C ATOM 724 O VAL A 46 6.866 5.781 -7.987 1.00 0.00 O ATOM 725 CB VAL A 46 7.283 5.940 -4.725 1.00 0.00 C ATOM 726 CG1 VAL A 46 7.189 6.690 -3.407 1.00 0.00 C ATOM 727 CG2 VAL A 46 6.140 4.926 -4.885 1.00 0.00 C ATOM 0 H VAL A 46 5.375 6.949 -6.677 1.00 0.00 H new ATOM 0 HA VAL A 46 8.027 7.708 -5.750 1.00 0.00 H new ATOM 0 HB VAL A 46 8.225 5.392 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.168 5.977 -2.583 1.00 0.00 H new ATOM 0 HG12 VAL A 46 8.054 7.345 -3.299 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.277 7.287 -3.393 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.127 4.254 -4.027 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.189 5.456 -4.945 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.291 4.348 -5.797 1.00 0.00 H new ATOM 737 N LYS A 47 8.959 5.713 -7.197 1.00 0.00 N ATOM 738 CA LYS A 47 9.369 4.767 -8.184 1.00 0.00 C ATOM 739 C LYS A 47 9.182 3.391 -7.575 1.00 0.00 C ATOM 740 O LYS A 47 9.167 3.247 -6.342 1.00 0.00 O ATOM 741 CB LYS A 47 10.816 4.982 -8.674 1.00 0.00 C ATOM 742 CG LYS A 47 11.907 4.864 -7.623 1.00 0.00 C ATOM 743 CD LYS A 47 13.273 4.926 -8.282 1.00 0.00 C ATOM 744 CE LYS A 47 14.405 4.842 -7.278 1.00 0.00 C ATOM 745 NZ LYS A 47 15.713 4.724 -7.958 1.00 0.00 N ATOM 0 H LYS A 47 9.701 6.053 -6.585 1.00 0.00 H new ATOM 0 HA LYS A 47 8.760 4.889 -9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 47 11.021 4.258 -9.463 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.881 5.972 -9.125 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.809 5.668 -6.894 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.799 3.926 -7.079 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.365 4.109 -8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.359 5.855 -8.845 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.400 5.729 -6.645 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.253 3.983 -6.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.449 4.499 -7.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.668 3.966 -8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.944 5.624 -8.426 1.00 0.00 H new ATOM 759 N LYS A 48 9.052 2.391 -8.385 1.00 0.00 N ATOM 760 CA LYS A 48 8.746 1.084 -7.881 1.00 0.00 C ATOM 761 C LYS A 48 9.908 0.455 -7.104 1.00 0.00 C ATOM 762 O LYS A 48 9.701 -0.428 -6.312 1.00 0.00 O ATOM 763 CB LYS A 48 8.098 0.182 -8.938 1.00 0.00 C ATOM 764 CG LYS A 48 7.542 -1.132 -8.383 1.00 0.00 C ATOM 765 CD LYS A 48 6.269 -1.619 -9.107 1.00 0.00 C ATOM 766 CE LYS A 48 6.474 -2.102 -10.546 1.00 0.00 C ATOM 767 NZ LYS A 48 6.880 -1.037 -11.486 1.00 0.00 N ATOM 0 H LYS A 48 9.152 2.450 -9.398 1.00 0.00 H new ATOM 0 HA LYS A 48 7.970 1.207 -7.126 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.290 0.730 -9.422 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.835 -0.044 -9.708 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.310 -1.902 -8.458 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.321 -1.004 -7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.831 -2.432 -8.528 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.543 -0.806 -9.115 1.00 0.00 H new ATOM 0 HE2 LYS A 48 7.232 -2.885 -10.551 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.548 -2.553 -10.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 6.583 -1.293 -12.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 6.429 -0.141 -11.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.914 -0.927 -11.460 1.00 0.00 H new ATOM 781 N GLU A 49 11.137 0.893 -7.370 1.00 0.00 N ATOM 782 CA GLU A 49 12.308 0.449 -6.575 1.00 0.00 C ATOM 783 C GLU A 49 12.147 0.769 -5.081 1.00 0.00 C ATOM 784 O GLU A 49 12.287 -0.115 -4.238 1.00 0.00 O ATOM 785 CB GLU A 49 13.576 1.107 -7.047 1.00 0.00 C ATOM 786 CG GLU A 49 14.063 0.678 -8.390 1.00 0.00 C ATOM 787 CD GLU A 49 15.277 1.454 -8.765 1.00 0.00 C ATOM 788 OE1 GLU A 49 16.391 1.109 -8.343 1.00 0.00 O ATOM 789 OE2 GLU A 49 15.138 2.467 -9.463 1.00 0.00 O ATOM 0 H GLU A 49 11.359 1.548 -8.119 1.00 0.00 H new ATOM 0 HA GLU A 49 12.367 -0.630 -6.715 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.420 2.186 -7.064 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.360 0.910 -6.316 1.00 0.00 H new ATOM 0 HG2 GLU A 49 14.292 -0.388 -8.379 1.00 0.00 H new ATOM 0 HG3 GLU A 49 13.281 0.829 -9.134 1.00 0.00 H new ATOM 796 N GLU A 50 11.840 2.030 -4.762 1.00 0.00 N ATOM 797 CA GLU A 50 11.701 2.461 -3.359 1.00 0.00 C ATOM 798 C GLU A 50 10.458 1.793 -2.742 1.00 0.00 C ATOM 799 O GLU A 50 10.476 1.249 -1.604 1.00 0.00 O ATOM 800 CB GLU A 50 11.680 4.012 -3.264 1.00 0.00 C ATOM 801 CG GLU A 50 10.538 4.678 -4.012 1.00 0.00 C ATOM 802 CD GLU A 50 10.651 6.187 -4.109 1.00 0.00 C ATOM 803 OE1 GLU A 50 10.680 6.862 -3.076 1.00 0.00 O ATOM 804 OE2 GLU A 50 10.683 6.717 -5.244 1.00 0.00 O ATOM 0 H GLU A 50 11.683 2.769 -5.447 1.00 0.00 H new ATOM 0 HA GLU A 50 12.564 2.138 -2.777 1.00 0.00 H new ATOM 0 HB2 GLU A 50 11.624 4.297 -2.214 1.00 0.00 H new ATOM 0 HB3 GLU A 50 12.623 4.399 -3.649 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.488 4.264 -5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 50 9.600 4.427 -3.517 1.00 0.00 H new ATOM 811 N LEU A 51 9.410 1.710 -3.551 1.00 0.00 N ATOM 812 CA LEU A 51 8.218 0.994 -3.165 1.00 0.00 C ATOM 813 C LEU A 51 8.534 -0.504 -3.114 1.00 0.00 C ATOM 814 O LEU A 51 7.781 -1.250 -2.598 1.00 0.00 O ATOM 815 CB LEU A 51 7.075 1.261 -4.160 1.00 0.00 C ATOM 816 CG LEU A 51 5.748 0.510 -3.930 1.00 0.00 C ATOM 817 CD1 LEU A 51 5.069 0.945 -2.650 1.00 0.00 C ATOM 818 CD2 LEU A 51 4.823 0.683 -5.106 1.00 0.00 C ATOM 0 H LEU A 51 9.369 2.133 -4.478 1.00 0.00 H new ATOM 0 HA LEU A 51 7.895 1.338 -2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.863 2.330 -4.152 1.00 0.00 H new ATOM 0 HB3 LEU A 51 7.433 1.015 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 51 5.989 -0.548 -3.830 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.138 0.392 -2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.726 0.745 -1.803 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.853 2.012 -2.697 1.00 0.00 H new ATOM 0 HD21 LEU A 51 3.894 0.144 -4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.607 1.742 -5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 51 5.298 0.288 -6.004 1.00 0.00 H new ATOM 830 N GLY A 52 9.700 -0.877 -3.638 1.00 0.00 N ATOM 831 CA GLY A 52 10.170 -2.243 -3.713 1.00 0.00 C ATOM 832 C GLY A 52 10.713 -2.719 -2.417 1.00 0.00 C ATOM 833 O GLY A 52 10.475 -3.869 -2.029 1.00 0.00 O ATOM 0 H GLY A 52 10.360 -0.207 -4.033 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.350 -2.891 -4.022 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.942 -2.319 -4.479 1.00 0.00 H new ATOM 837 N ASP A 53 11.438 -1.853 -1.729 1.00 0.00 N ATOM 838 CA ASP A 53 11.907 -2.163 -0.366 1.00 0.00 C ATOM 839 C ASP A 53 10.635 -2.346 0.456 1.00 0.00 C ATOM 840 O ASP A 53 10.421 -3.342 1.198 1.00 0.00 O ATOM 841 CB ASP A 53 12.714 -0.975 0.229 1.00 0.00 C ATOM 842 CG ASP A 53 13.792 -0.405 -0.692 1.00 0.00 C ATOM 843 OD1 ASP A 53 14.920 -0.939 -0.750 1.00 0.00 O ATOM 844 OD2 ASP A 53 13.524 0.615 -1.362 1.00 0.00 O ATOM 0 H ASP A 53 11.718 -0.936 -2.077 1.00 0.00 H new ATOM 0 HA ASP A 53 12.556 -3.039 -0.363 1.00 0.00 H new ATOM 0 HB2 ASP A 53 12.019 -0.176 0.489 1.00 0.00 H new ATOM 0 HB3 ASP A 53 13.184 -1.302 1.156 1.00 0.00 H new ATOM 849 N ARG A 54 9.734 -1.421 0.202 1.00 0.00 N ATOM 850 CA ARG A 54 8.428 -1.400 0.797 1.00 0.00 C ATOM 851 C ARG A 54 7.551 -2.629 0.325 1.00 0.00 C ATOM 852 O ARG A 54 6.592 -2.982 0.980 1.00 0.00 O ATOM 853 CB ARG A 54 7.801 -0.038 0.461 1.00 0.00 C ATOM 854 CG ARG A 54 6.416 0.224 0.988 1.00 0.00 C ATOM 855 CD ARG A 54 6.003 1.673 0.713 1.00 0.00 C ATOM 856 NE ARG A 54 6.751 2.642 1.531 1.00 0.00 N ATOM 857 CZ ARG A 54 6.242 3.362 2.563 1.00 0.00 C ATOM 858 NH1 ARG A 54 4.952 3.233 2.915 1.00 0.00 N ATOM 859 NH2 ARG A 54 7.022 4.201 3.230 1.00 0.00 N ATOM 0 H ARG A 54 9.900 -0.647 -0.441 1.00 0.00 H new ATOM 0 HA ARG A 54 8.489 -1.510 1.880 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.461 0.742 0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.776 0.065 -0.624 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.707 -0.458 0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 54 6.385 0.028 2.060 1.00 0.00 H new ATOM 0 HD2 ARG A 54 6.160 1.897 -0.342 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.937 1.786 0.908 1.00 0.00 H new ATOM 0 HE ARG A 54 7.735 2.784 1.303 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.346 2.590 2.405 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.578 3.778 3.692 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.002 4.304 2.967 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.642 4.743 4.006 1.00 0.00 H new ATOM 873 N ILE A 55 7.933 -3.279 -0.799 1.00 0.00 N ATOM 874 CA ILE A 55 7.246 -4.483 -1.327 1.00 0.00 C ATOM 875 C ILE A 55 7.566 -5.654 -0.451 1.00 0.00 C ATOM 876 O ILE A 55 6.699 -6.454 -0.147 1.00 0.00 O ATOM 877 CB ILE A 55 7.663 -4.853 -2.813 1.00 0.00 C ATOM 878 CG1 ILE A 55 7.131 -3.851 -3.820 1.00 0.00 C ATOM 879 CG2 ILE A 55 7.206 -6.257 -3.207 1.00 0.00 C ATOM 880 CD1 ILE A 55 7.601 -4.101 -5.245 1.00 0.00 C ATOM 0 H ILE A 55 8.727 -2.984 -1.367 1.00 0.00 H new ATOM 0 HA ILE A 55 6.181 -4.252 -1.332 1.00 0.00 H new ATOM 0 HB ILE A 55 8.752 -4.823 -2.830 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.041 -3.872 -3.798 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.436 -2.849 -3.517 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.514 -6.466 -4.232 1.00 0.00 H new ATOM 0 HG22 ILE A 55 7.658 -6.988 -2.536 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.120 -6.320 -3.134 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.179 -3.344 -5.906 1.00 0.00 H new ATOM 0 HD12 ILE A 55 8.689 -4.050 -5.283 1.00 0.00 H new ATOM 0 HD13 ILE A 55 7.272 -5.089 -5.569 1.00 0.00 H new ATOM 892 N ALA A 56 8.818 -5.739 -0.034 1.00 0.00 N ATOM 893 CA ALA A 56 9.251 -6.812 0.834 1.00 0.00 C ATOM 894 C ALA A 56 8.460 -6.740 2.122 1.00 0.00 C ATOM 895 O ALA A 56 7.835 -7.751 2.576 1.00 0.00 O ATOM 896 CB ALA A 56 10.744 -6.708 1.102 1.00 0.00 C ATOM 0 H ALA A 56 9.551 -5.075 -0.285 1.00 0.00 H new ATOM 0 HA ALA A 56 9.072 -7.774 0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 56 11.054 -7.523 1.757 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.288 -6.773 0.160 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.962 -5.754 1.582 1.00 0.00 H new ATOM 902 N GLN A 57 8.414 -5.542 2.677 1.00 0.00 N ATOM 903 CA GLN A 57 7.645 -5.325 3.878 1.00 0.00 C ATOM 904 C GLN A 57 6.155 -5.572 3.625 1.00 0.00 C ATOM 905 O GLN A 57 5.468 -6.132 4.468 1.00 0.00 O ATOM 906 CB GLN A 57 7.865 -3.929 4.433 1.00 0.00 C ATOM 907 CG GLN A 57 8.283 -3.925 5.893 1.00 0.00 C ATOM 908 CD GLN A 57 7.272 -4.576 6.827 1.00 0.00 C ATOM 909 OE1 GLN A 57 7.405 -5.867 7.046 1.00 0.00 O flip ATOM 910 NE2 GLN A 57 6.376 -3.910 7.357 1.00 0.00 N flip ATOM 0 H GLN A 57 8.895 -4.718 2.317 1.00 0.00 H new ATOM 0 HA GLN A 57 7.993 -6.041 4.623 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.630 -3.426 3.841 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.947 -3.352 4.323 1.00 0.00 H new ATOM 0 HG2 GLN A 57 9.237 -4.443 5.989 1.00 0.00 H new ATOM 0 HG3 GLN A 57 8.446 -2.895 6.211 1.00 0.00 H new ATOM 0 HE21 GLN A 57 6.302 -2.911 7.165 1.00 0.00 H new ATOM 0 HE22 GLN A 57 5.711 -4.359 7.986 1.00 0.00 H new ATOM 919 N PHE A 58 5.677 -5.194 2.447 1.00 0.00 N ATOM 920 CA PHE A 58 4.276 -5.366 2.106 1.00 0.00 C ATOM 921 C PHE A 58 3.914 -6.838 1.966 1.00 0.00 C ATOM 922 O PHE A 58 2.805 -7.215 2.274 1.00 0.00 O ATOM 923 CB PHE A 58 3.887 -4.576 0.856 1.00 0.00 C ATOM 924 CG PHE A 58 2.399 -4.539 0.594 1.00 0.00 C ATOM 925 CD1 PHE A 58 1.517 -4.131 1.589 1.00 0.00 C ATOM 926 CD2 PHE A 58 1.889 -4.889 -0.638 1.00 0.00 C ATOM 927 CE1 PHE A 58 0.161 -4.077 1.354 1.00 0.00 C ATOM 928 CE2 PHE A 58 0.531 -4.839 -0.877 1.00 0.00 C ATOM 929 CZ PHE A 58 -0.333 -4.432 0.118 1.00 0.00 C ATOM 0 H PHE A 58 6.241 -4.766 1.713 1.00 0.00 H new ATOM 0 HA PHE A 58 3.696 -4.959 2.934 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.254 -3.554 0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 58 4.388 -5.013 -0.008 1.00 0.00 H new ATOM 0 HD1 PHE A 58 1.901 -3.853 2.559 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.559 -5.205 -1.424 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.512 -3.758 2.136 1.00 0.00 H new ATOM 0 HE2 PHE A 58 0.144 -5.119 -1.845 1.00 0.00 H new ATOM 0 HZ PHE A 58 -1.395 -4.392 -0.072 1.00 0.00 H new ATOM 939 N TYR A 59 4.852 -7.669 1.497 1.00 0.00 N ATOM 940 CA TYR A 59 4.627 -9.112 1.461 1.00 0.00 C ATOM 941 C TYR A 59 4.299 -9.592 2.851 1.00 0.00 C ATOM 942 O TYR A 59 3.313 -10.285 3.051 1.00 0.00 O ATOM 943 CB TYR A 59 5.838 -9.904 0.933 1.00 0.00 C ATOM 944 CG TYR A 59 6.069 -9.884 -0.565 1.00 0.00 C ATOM 945 CD1 TYR A 59 5.039 -10.162 -1.456 1.00 0.00 C ATOM 946 CD2 TYR A 59 7.329 -9.621 -1.085 1.00 0.00 C ATOM 947 CE1 TYR A 59 5.259 -10.169 -2.822 1.00 0.00 C ATOM 948 CE2 TYR A 59 7.557 -9.630 -2.447 1.00 0.00 C ATOM 949 CZ TYR A 59 6.520 -9.905 -3.312 1.00 0.00 C ATOM 950 OH TYR A 59 6.748 -9.910 -4.677 1.00 0.00 O ATOM 0 H TYR A 59 5.760 -7.370 1.143 1.00 0.00 H new ATOM 0 HA TYR A 59 3.802 -9.289 0.771 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.734 -9.519 1.420 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.727 -10.942 1.245 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.051 -10.376 -1.076 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.146 -9.405 -0.412 1.00 0.00 H new ATOM 0 HE1 TYR A 59 4.446 -10.380 -3.501 1.00 0.00 H new ATOM 0 HE2 TYR A 59 8.544 -9.422 -2.833 1.00 0.00 H new ATOM 0 HH TYR A 59 7.690 -9.704 -4.852 1.00 0.00 H new ATOM 960 N THR A 60 5.105 -9.175 3.810 1.00 0.00 N ATOM 961 CA THR A 60 4.883 -9.537 5.201 1.00 0.00 C ATOM 962 C THR A 60 3.550 -8.957 5.718 1.00 0.00 C ATOM 963 O THR A 60 2.678 -9.688 6.193 1.00 0.00 O ATOM 964 CB THR A 60 6.020 -8.977 6.041 1.00 0.00 C ATOM 965 OG1 THR A 60 7.237 -9.286 5.377 1.00 0.00 O ATOM 966 CG2 THR A 60 6.027 -9.597 7.435 1.00 0.00 C ATOM 0 H THR A 60 5.921 -8.584 3.652 1.00 0.00 H new ATOM 0 HA THR A 60 4.843 -10.624 5.276 1.00 0.00 H new ATOM 0 HB THR A 60 5.897 -7.900 6.156 1.00 0.00 H new ATOM 0 HG1 THR A 60 7.991 -8.935 5.896 1.00 0.00 H new ATOM 0 HG21 THR A 60 6.850 -9.179 8.015 1.00 0.00 H new ATOM 0 HG22 THR A 60 5.083 -9.379 7.935 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.153 -10.677 7.352 1.00 0.00 H new ATOM 974 N ASP A 61 3.408 -7.656 5.559 1.00 0.00 N ATOM 975 CA ASP A 61 2.263 -6.872 6.038 1.00 0.00 C ATOM 976 C ASP A 61 0.933 -7.417 5.515 1.00 0.00 C ATOM 977 O ASP A 61 0.017 -7.691 6.281 1.00 0.00 O ATOM 978 CB ASP A 61 2.458 -5.420 5.602 1.00 0.00 C ATOM 979 CG ASP A 61 1.360 -4.495 6.038 1.00 0.00 C ATOM 980 OD1 ASP A 61 1.299 -4.154 7.234 1.00 0.00 O ATOM 981 OD2 ASP A 61 0.579 -4.055 5.190 1.00 0.00 O ATOM 0 H ASP A 61 4.104 -7.087 5.078 1.00 0.00 H new ATOM 0 HA ASP A 61 2.220 -6.940 7.125 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.405 -5.056 6.002 1.00 0.00 H new ATOM 0 HB3 ASP A 61 2.537 -5.386 4.515 1.00 0.00 H new ATOM 986 N LEU A 62 0.877 -7.644 4.228 1.00 0.00 N ATOM 987 CA LEU A 62 -0.319 -8.126 3.556 1.00 0.00 C ATOM 988 C LEU A 62 -0.614 -9.583 3.946 1.00 0.00 C ATOM 989 O LEU A 62 -1.772 -10.007 4.014 1.00 0.00 O ATOM 990 CB LEU A 62 -0.127 -7.996 2.040 1.00 0.00 C ATOM 991 CG LEU A 62 -1.328 -8.278 1.151 1.00 0.00 C ATOM 992 CD1 LEU A 62 -2.446 -7.303 1.453 1.00 0.00 C ATOM 993 CD2 LEU A 62 -0.928 -8.184 -0.309 1.00 0.00 C ATOM 0 H LEU A 62 1.669 -7.499 3.601 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.174 -7.524 3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.215 -6.983 1.831 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.676 -8.671 1.744 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.685 -9.288 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.299 -7.517 0.809 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.745 -7.404 2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.100 -6.285 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.795 -8.388 -0.938 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.554 -7.182 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.147 -8.915 -0.520 1.00 0.00 H new ATOM 1005 N ASN A 63 0.434 -10.342 4.194 1.00 0.00 N ATOM 1006 CA ASN A 63 0.294 -11.751 4.542 1.00 0.00 C ATOM 1007 C ASN A 63 -0.174 -11.922 5.993 1.00 0.00 C ATOM 1008 O ASN A 63 -0.890 -12.867 6.317 1.00 0.00 O ATOM 1009 CB ASN A 63 1.616 -12.496 4.309 1.00 0.00 C ATOM 1010 CG ASN A 63 1.496 -13.994 4.472 1.00 0.00 C ATOM 1011 OD1 ASN A 63 1.696 -14.543 5.563 1.00 0.00 O ATOM 1012 ND2 ASN A 63 1.197 -14.671 3.385 1.00 0.00 N ATOM 0 H ASN A 63 1.398 -10.010 4.162 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.468 -12.183 3.893 1.00 0.00 H new ATOM 0 HB2 ASN A 63 1.977 -12.275 3.305 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.364 -12.121 5.007 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.122 -15.688 3.422 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.040 -14.179 2.505 1.00 0.00 H new ATOM 1019 N ILE A 64 0.219 -11.007 6.866 1.00 0.00 N ATOM 1020 CA ILE A 64 -0.186 -11.087 8.271 1.00 0.00 C ATOM 1021 C ILE A 64 -1.539 -10.414 8.504 1.00 0.00 C ATOM 1022 O ILE A 64 -2.174 -10.610 9.540 1.00 0.00 O ATOM 1023 CB ILE A 64 0.878 -10.504 9.251 1.00 0.00 C ATOM 1024 CG1 ILE A 64 1.134 -9.009 8.980 1.00 0.00 C ATOM 1025 CG2 ILE A 64 2.172 -11.307 9.162 1.00 0.00 C ATOM 1026 CD1 ILE A 64 2.117 -8.356 9.935 1.00 0.00 C ATOM 0 H ILE A 64 0.810 -10.208 6.636 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.277 -12.151 8.490 1.00 0.00 H new ATOM 0 HB ILE A 64 0.487 -10.586 10.265 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.506 -8.896 7.962 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.185 -8.475 9.034 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.907 -10.890 9.851 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.975 -12.346 9.427 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.560 -11.260 8.145 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.237 -7.305 9.671 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.740 -8.433 10.955 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.081 -8.860 9.866 1.00 0.00 H new ATOM 1038 N ASP A 65 -1.974 -9.633 7.547 1.00 0.00 N ATOM 1039 CA ASP A 65 -3.259 -8.948 7.634 1.00 0.00 C ATOM 1040 C ASP A 65 -4.421 -9.932 7.468 1.00 0.00 C ATOM 1041 O ASP A 65 -4.319 -10.901 6.708 1.00 0.00 O ATOM 1042 CB ASP A 65 -3.354 -7.831 6.595 1.00 0.00 C ATOM 1043 CG ASP A 65 -4.724 -7.208 6.570 1.00 0.00 C ATOM 1044 OD1 ASP A 65 -5.043 -6.421 7.464 1.00 0.00 O ATOM 1045 OD2 ASP A 65 -5.517 -7.553 5.680 1.00 0.00 O ATOM 0 H ASP A 65 -1.458 -9.449 6.687 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.329 -8.502 8.626 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.610 -7.065 6.815 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -3.118 -8.231 5.609 1.00 0.00 H new ATOM 1050 N GLY A 66 -5.501 -9.695 8.192 1.00 0.00 N ATOM 1051 CA GLY A 66 -6.656 -10.569 8.128 1.00 0.00 C ATOM 1052 C GLY A 66 -7.872 -9.888 7.515 1.00 0.00 C ATOM 1053 O GLY A 66 -9.005 -10.402 7.596 1.00 0.00 O ATOM 0 H GLY A 66 -5.601 -8.905 8.830 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.406 -11.454 7.542 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.904 -10.912 9.133 1.00 0.00 H new ATOM 1057 N ARG A 67 -7.658 -8.738 6.921 1.00 0.00 N ATOM 1058 CA ARG A 67 -8.715 -7.988 6.268 1.00 0.00 C ATOM 1059 C ARG A 67 -8.720 -8.403 4.811 1.00 0.00 C ATOM 1060 O ARG A 67 -9.772 -8.469 4.145 1.00 0.00 O ATOM 1061 CB ARG A 67 -8.438 -6.493 6.384 1.00 0.00 C ATOM 1062 CG ARG A 67 -8.214 -6.026 7.811 1.00 0.00 C ATOM 1063 CD ARG A 67 -7.813 -4.572 7.857 1.00 0.00 C ATOM 1064 NE ARG A 67 -8.869 -3.720 7.329 1.00 0.00 N ATOM 1065 CZ ARG A 67 -8.724 -2.486 6.893 1.00 0.00 C ATOM 1066 NH1 ARG A 67 -7.544 -1.885 6.885 1.00 0.00 N ATOM 1067 NH2 ARG A 67 -9.784 -1.852 6.477 1.00 0.00 N ATOM 0 H ARG A 67 -6.743 -8.290 6.875 1.00 0.00 H new ATOM 0 HA ARG A 67 -9.680 -8.190 6.732 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -7.559 -6.247 5.788 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -9.276 -5.942 5.958 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -9.125 -6.172 8.391 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -7.439 -6.634 8.277 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -7.590 -4.285 8.885 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -6.900 -4.425 7.280 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.808 -4.116 7.294 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.718 -2.379 7.222 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.461 -0.928 6.541 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -10.694 -2.313 6.495 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.704 -0.895 6.133 1.00 0.00 H new ATOM 1081 N PHE A 68 -7.542 -8.663 4.329 1.00 0.00 N ATOM 1082 CA PHE A 68 -7.322 -9.199 3.029 1.00 0.00 C ATOM 1083 C PHE A 68 -7.458 -10.706 3.030 1.00 0.00 C ATOM 1084 O PHE A 68 -7.650 -11.346 4.089 1.00 0.00 O ATOM 1085 CB PHE A 68 -5.938 -8.818 2.515 1.00 0.00 C ATOM 1086 CG PHE A 68 -5.939 -7.680 1.555 1.00 0.00 C ATOM 1087 CD1 PHE A 68 -5.885 -6.367 1.986 1.00 0.00 C ATOM 1088 CD2 PHE A 68 -5.987 -7.936 0.202 1.00 0.00 C ATOM 1089 CE1 PHE A 68 -5.880 -5.334 1.067 1.00 0.00 C ATOM 1090 CE2 PHE A 68 -5.985 -6.923 -0.710 1.00 0.00 C ATOM 1091 CZ PHE A 68 -5.932 -5.623 -0.287 1.00 0.00 C ATOM 0 H PHE A 68 -6.681 -8.500 4.852 1.00 0.00 H new ATOM 0 HA PHE A 68 -8.080 -8.777 2.370 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.304 -8.563 3.364 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.490 -9.686 2.032 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -5.847 -6.148 3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.027 -8.959 -0.142 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.836 -4.308 1.402 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.025 -7.146 -1.766 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.931 -4.821 -1.010 1.00 0.00 H new ATOM 1101 N LEU A 69 -7.410 -11.252 1.850 1.00 0.00 N ATOM 1102 CA LEU A 69 -7.435 -12.658 1.631 1.00 0.00 C ATOM 1103 C LEU A 69 -6.952 -12.916 0.229 1.00 0.00 C ATOM 1104 O LEU A 69 -7.401 -12.239 -0.706 1.00 0.00 O ATOM 1105 CB LEU A 69 -8.877 -13.197 1.740 1.00 0.00 C ATOM 1106 CG LEU A 69 -9.042 -14.722 1.580 1.00 0.00 C ATOM 1107 CD1 LEU A 69 -8.272 -15.477 2.649 1.00 0.00 C ATOM 1108 CD2 LEU A 69 -10.501 -15.113 1.614 1.00 0.00 C ATOM 0 H LEU A 69 -7.350 -10.708 0.989 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.808 -13.150 2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -9.280 -12.908 2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -9.486 -12.704 0.983 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.630 -14.995 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.409 -16.549 2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -7.212 -15.234 2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.641 -15.191 3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.591 -16.193 1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.936 -14.812 2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.030 -14.616 0.800 1.00 0.00 H new ATOM 1120 N ALA A 70 -6.011 -13.810 0.055 1.00 0.00 N ATOM 1121 CA ALA A 70 -5.729 -14.249 -1.274 1.00 0.00 C ATOM 1122 C ALA A 70 -6.822 -15.165 -1.629 1.00 0.00 C ATOM 1123 O ALA A 70 -7.050 -16.180 -0.931 1.00 0.00 O ATOM 1124 CB ALA A 70 -4.408 -15.004 -1.438 1.00 0.00 C ATOM 0 H ALA A 70 -5.448 -14.232 0.794 1.00 0.00 H new ATOM 0 HA ALA A 70 -5.644 -13.367 -1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.283 -15.296 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -3.581 -14.359 -1.140 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.418 -15.895 -0.810 1.00 0.00 H new ATOM 1130 N LEU A 71 -7.546 -14.803 -2.635 1.00 0.00 N ATOM 1131 CA LEU A 71 -8.519 -15.668 -3.177 1.00 0.00 C ATOM 1132 C LEU A 71 -7.688 -16.808 -3.696 1.00 0.00 C ATOM 1133 O LEU A 71 -6.607 -16.539 -4.245 1.00 0.00 O ATOM 1134 CB LEU A 71 -9.255 -14.981 -4.340 1.00 0.00 C ATOM 1135 CG LEU A 71 -9.774 -13.568 -4.090 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -10.491 -13.060 -5.314 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -10.685 -13.501 -2.884 1.00 0.00 C ATOM 0 H LEU A 71 -7.474 -13.898 -3.099 1.00 0.00 H new ATOM 0 HA LEU A 71 -9.283 -15.969 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -8.581 -14.948 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -10.100 -15.608 -4.624 1.00 0.00 H new ATOM 0 HG LEU A 71 -8.913 -12.933 -3.881 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -10.859 -12.051 -5.128 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.803 -13.045 -6.159 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.331 -13.716 -5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -11.030 -12.476 -2.745 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -11.543 -14.155 -3.039 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.139 -13.823 -1.997 1.00 0.00 H new ATOM 1149 N SER A 72 -8.145 -18.031 -3.521 1.00 0.00 N ATOM 1150 CA SER A 72 -7.410 -19.285 -3.822 1.00 0.00 C ATOM 1151 C SER A 72 -6.875 -19.409 -5.274 1.00 0.00 C ATOM 1152 O SER A 72 -6.372 -20.465 -5.680 1.00 0.00 O ATOM 1153 CB SER A 72 -8.376 -20.399 -3.540 1.00 0.00 C ATOM 1154 OG SER A 72 -9.048 -20.122 -2.323 1.00 0.00 O ATOM 0 H SER A 72 -9.078 -18.207 -3.149 1.00 0.00 H new ATOM 0 HA SER A 72 -6.511 -19.311 -3.206 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.094 -20.492 -4.355 1.00 0.00 H new ATOM 0 HB3 SER A 72 -7.847 -21.349 -3.471 1.00 0.00 H new ATOM 0 HG SER A 72 -9.683 -20.842 -2.129 1.00 0.00 H new ATOM 1160 N ASP A 73 -6.919 -18.343 -5.996 1.00 0.00 N ATOM 1161 CA ASP A 73 -6.556 -18.314 -7.352 1.00 0.00 C ATOM 1162 C ASP A 73 -5.417 -17.295 -7.593 1.00 0.00 C ATOM 1163 O ASP A 73 -5.228 -16.788 -8.688 1.00 0.00 O ATOM 1164 CB ASP A 73 -7.826 -18.110 -8.196 1.00 0.00 C ATOM 1165 CG ASP A 73 -7.636 -18.093 -9.686 1.00 0.00 C ATOM 1166 OD1 ASP A 73 -7.251 -19.118 -10.282 1.00 0.00 O ATOM 1167 OD2 ASP A 73 -7.937 -17.063 -10.300 1.00 0.00 O ATOM 0 H ASP A 73 -7.222 -17.438 -5.635 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.128 -19.263 -7.674 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.532 -18.903 -7.950 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.288 -17.168 -7.899 1.00 0.00 H new ATOM 1172 N GLN A 74 -4.650 -17.027 -6.517 1.00 0.00 N ATOM 1173 CA GLN A 74 -3.384 -16.246 -6.568 1.00 0.00 C ATOM 1174 C GLN A 74 -3.665 -14.795 -6.799 1.00 0.00 C ATOM 1175 O GLN A 74 -2.825 -14.039 -7.286 1.00 0.00 O ATOM 1176 CB GLN A 74 -2.384 -16.799 -7.638 1.00 0.00 C ATOM 1177 CG GLN A 74 -1.765 -18.182 -7.344 1.00 0.00 C ATOM 1178 CD GLN A 74 -2.788 -19.298 -7.217 1.00 0.00 C ATOM 1179 OE1 GLN A 74 -3.156 -19.950 -8.198 1.00 0.00 O ATOM 1180 NE2 GLN A 74 -3.248 -19.529 -6.021 1.00 0.00 N ATOM 0 H GLN A 74 -4.888 -17.346 -5.578 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.901 -16.357 -5.597 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.902 -16.852 -8.595 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.574 -16.079 -7.754 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -1.065 -18.433 -8.141 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -1.189 -18.123 -6.420 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -2.922 -18.970 -5.232 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.935 -20.269 -5.873 1.00 0.00 H new ATOM 1189 N THR A 75 -4.825 -14.411 -6.421 1.00 0.00 N ATOM 1190 CA THR A 75 -5.267 -13.060 -6.577 1.00 0.00 C ATOM 1191 C THR A 75 -5.618 -12.513 -5.202 1.00 0.00 C ATOM 1192 O THR A 75 -6.145 -13.249 -4.380 1.00 0.00 O ATOM 1193 CB THR A 75 -6.524 -13.048 -7.449 1.00 0.00 C ATOM 1194 OG1 THR A 75 -6.335 -13.922 -8.568 1.00 0.00 O ATOM 1195 CG2 THR A 75 -6.788 -11.666 -7.972 1.00 0.00 C ATOM 0 H THR A 75 -5.512 -15.028 -5.987 1.00 0.00 H new ATOM 0 HA THR A 75 -4.488 -12.455 -7.041 1.00 0.00 H new ATOM 0 HB THR A 75 -7.368 -13.376 -6.842 1.00 0.00 H new ATOM 0 HG1 THR A 75 -7.140 -13.917 -9.127 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.686 -11.676 -8.590 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.931 -10.982 -7.136 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.939 -11.335 -8.570 1.00 0.00 H new ATOM 1203 N TRP A 76 -5.355 -11.257 -4.944 1.00 0.00 N ATOM 1204 CA TRP A 76 -5.673 -10.713 -3.669 1.00 0.00 C ATOM 1205 C TRP A 76 -7.013 -10.037 -3.723 1.00 0.00 C ATOM 1206 O TRP A 76 -7.460 -9.586 -4.795 1.00 0.00 O ATOM 1207 CB TRP A 76 -4.582 -9.758 -3.182 1.00 0.00 C ATOM 1208 CG TRP A 76 -3.313 -10.461 -2.796 1.00 0.00 C ATOM 1209 CD1 TRP A 76 -2.248 -10.758 -3.598 1.00 0.00 C ATOM 1210 CD2 TRP A 76 -2.986 -10.961 -1.495 1.00 0.00 C ATOM 1211 NE1 TRP A 76 -1.279 -11.412 -2.871 1.00 0.00 N ATOM 1212 CE2 TRP A 76 -1.708 -11.548 -1.574 1.00 0.00 C ATOM 1213 CE3 TRP A 76 -3.653 -10.962 -0.269 1.00 0.00 C ATOM 1214 CZ2 TRP A 76 -1.086 -12.136 -0.461 1.00 0.00 C ATOM 1215 CZ3 TRP A 76 -3.041 -11.538 0.820 1.00 0.00 C ATOM 1216 CH2 TRP A 76 -1.772 -12.116 0.720 1.00 0.00 C ATOM 0 H TRP A 76 -4.925 -10.605 -5.600 1.00 0.00 H new ATOM 0 HA TRP A 76 -5.726 -11.527 -2.946 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -4.365 -9.034 -3.967 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.955 -9.197 -2.325 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -2.177 -10.515 -4.648 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -0.386 -11.742 -3.237 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.633 -10.518 -0.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -0.107 -12.585 -0.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -3.551 -11.544 1.772 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -1.323 -12.557 1.598 1.00 0.00 H new ATOM 1227 N GLY A 77 -7.679 -10.035 -2.614 1.00 0.00 N ATOM 1228 CA GLY A 77 -8.936 -9.403 -2.512 1.00 0.00 C ATOM 1229 C GLY A 77 -9.287 -9.192 -1.083 1.00 0.00 C ATOM 1230 O GLY A 77 -8.535 -9.584 -0.195 1.00 0.00 O ATOM 0 H GLY A 77 -7.356 -10.477 -1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.914 -8.447 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -9.699 -10.013 -2.996 1.00 0.00 H new ATOM 1234 N LEU A 78 -10.406 -8.598 -0.843 1.00 0.00 N ATOM 1235 CA LEU A 78 -10.817 -8.325 0.494 1.00 0.00 C ATOM 1236 C LEU A 78 -11.716 -9.397 1.005 1.00 0.00 C ATOM 1237 O LEU A 78 -12.589 -9.895 0.300 1.00 0.00 O ATOM 1238 CB LEU A 78 -11.456 -6.959 0.613 1.00 0.00 C ATOM 1239 CG LEU A 78 -10.514 -5.789 0.385 1.00 0.00 C ATOM 1240 CD1 LEU A 78 -11.277 -4.497 0.406 1.00 0.00 C ATOM 1241 CD2 LEU A 78 -9.427 -5.776 1.445 1.00 0.00 C ATOM 0 H LEU A 78 -11.059 -8.289 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 78 -9.924 -8.315 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.274 -6.893 -0.105 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.895 -6.865 1.606 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.046 -5.902 -0.593 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.591 -3.666 0.241 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -12.030 -4.507 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.765 -4.378 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.759 -4.933 1.270 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.882 -5.681 2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.859 -6.705 1.396 1.00 0.00 H new ATOM 1253 N ARG A 79 -11.502 -9.733 2.231 1.00 0.00 N ATOM 1254 CA ARG A 79 -12.219 -10.784 2.898 1.00 0.00 C ATOM 1255 C ARG A 79 -13.623 -10.297 3.236 1.00 0.00 C ATOM 1256 O ARG A 79 -14.546 -11.069 3.370 1.00 0.00 O ATOM 1257 CB ARG A 79 -11.450 -11.094 4.147 1.00 0.00 C ATOM 1258 CG ARG A 79 -11.554 -12.488 4.670 1.00 0.00 C ATOM 1259 CD ARG A 79 -10.555 -12.614 5.777 1.00 0.00 C ATOM 1260 NE ARG A 79 -10.235 -13.977 6.114 1.00 0.00 N ATOM 1261 CZ ARG A 79 -8.972 -14.445 6.173 1.00 0.00 C ATOM 1262 NH1 ARG A 79 -7.935 -13.659 5.836 1.00 0.00 N ATOM 1263 NH2 ARG A 79 -8.752 -15.695 6.520 1.00 0.00 N ATOM 0 H ARG A 79 -10.806 -9.276 2.820 1.00 0.00 H new ATOM 0 HA ARG A 79 -12.315 -11.674 2.276 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -10.398 -10.878 3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -11.782 -10.411 4.929 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -12.561 -12.689 5.034 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -11.350 -13.212 3.881 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -9.640 -12.095 5.490 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -10.942 -12.111 6.663 1.00 0.00 H new ATOM 0 HE ARG A 79 -11.001 -14.619 6.318 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -8.100 -12.699 5.532 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -6.983 -14.022 5.884 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.536 -16.308 6.744 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.797 -16.051 6.565 1.00 0.00 H new ATOM 1277 N SER A 80 -13.749 -8.993 3.336 1.00 0.00 N ATOM 1278 CA SER A 80 -14.995 -8.335 3.659 1.00 0.00 C ATOM 1279 C SER A 80 -15.878 -8.167 2.399 1.00 0.00 C ATOM 1280 O SER A 80 -16.976 -7.589 2.455 1.00 0.00 O ATOM 1281 CB SER A 80 -14.641 -6.980 4.242 1.00 0.00 C ATOM 1282 OG SER A 80 -13.586 -7.131 5.194 1.00 0.00 O ATOM 0 H SER A 80 -12.973 -8.347 3.192 1.00 0.00 H new ATOM 0 HA SER A 80 -15.567 -8.931 4.371 1.00 0.00 H new ATOM 0 HB2 SER A 80 -14.334 -6.300 3.448 1.00 0.00 H new ATOM 0 HB3 SER A 80 -15.516 -6.538 4.720 1.00 0.00 H new ATOM 0 HG SER A 80 -13.356 -6.255 5.569 1.00 0.00 H new ATOM 1288 N TRP A 81 -15.379 -8.641 1.265 1.00 0.00 N ATOM 1289 CA TRP A 81 -16.126 -8.583 0.028 1.00 0.00 C ATOM 1290 C TRP A 81 -17.123 -9.688 -0.046 1.00 0.00 C ATOM 1291 O TRP A 81 -18.322 -9.462 -0.092 1.00 0.00 O ATOM 1292 CB TRP A 81 -15.232 -8.742 -1.179 1.00 0.00 C ATOM 1293 CG TRP A 81 -14.505 -7.551 -1.642 1.00 0.00 C ATOM 1294 CD1 TRP A 81 -14.742 -6.242 -1.338 1.00 0.00 C ATOM 1295 CD2 TRP A 81 -13.453 -7.571 -2.578 1.00 0.00 C ATOM 1296 NE1 TRP A 81 -13.876 -5.446 -2.036 1.00 0.00 N ATOM 1297 CE2 TRP A 81 -13.074 -6.243 -2.808 1.00 0.00 C ATOM 1298 CE3 TRP A 81 -12.784 -8.601 -3.250 1.00 0.00 C ATOM 1299 CZ2 TRP A 81 -12.062 -5.916 -3.680 1.00 0.00 C ATOM 1300 CZ3 TRP A 81 -11.782 -8.267 -4.114 1.00 0.00 C ATOM 1301 CH2 TRP A 81 -11.433 -6.935 -4.325 1.00 0.00 C ATOM 0 H TRP A 81 -14.457 -9.070 1.182 1.00 0.00 H new ATOM 0 HA TRP A 81 -16.610 -7.606 0.021 1.00 0.00 H new ATOM 0 HB2 TRP A 81 -14.500 -9.518 -0.957 1.00 0.00 H new ATOM 0 HB3 TRP A 81 -15.842 -9.107 -2.005 1.00 0.00 H new ATOM 0 HD1 TRP A 81 -15.497 -5.889 -0.652 1.00 0.00 H new ATOM 0 HE1 TRP A 81 -13.835 -4.428 -1.989 1.00 0.00 H new ATOM 0 HE3 TRP A 81 -13.054 -9.634 -3.089 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 -11.777 -4.888 -3.847 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 -11.252 -9.046 -4.642 1.00 0.00 H new ATOM 0 HH2 TRP A 81 -10.640 -6.705 -5.021 1.00 0.00 H new ATOM 1312 N TYR A 82 -16.616 -10.876 -0.053 1.00 0.00 N ATOM 1313 CA TYR A 82 -17.412 -12.041 -0.286 1.00 0.00 C ATOM 1314 C TYR A 82 -18.021 -12.476 1.032 1.00 0.00 C ATOM 1315 O TYR A 82 -17.741 -11.851 2.037 1.00 0.00 O ATOM 1316 CB TYR A 82 -16.519 -13.141 -0.869 1.00 0.00 C ATOM 1317 CG TYR A 82 -15.752 -12.731 -2.096 1.00 0.00 C ATOM 1318 CD1 TYR A 82 -16.303 -12.837 -3.359 1.00 0.00 C ATOM 1319 CD2 TYR A 82 -14.463 -12.246 -1.984 1.00 0.00 C ATOM 1320 CE1 TYR A 82 -15.586 -12.468 -4.473 1.00 0.00 C ATOM 1321 CE2 TYR A 82 -13.743 -11.879 -3.075 1.00 0.00 C ATOM 1322 CZ TYR A 82 -14.304 -11.990 -4.328 1.00 0.00 C ATOM 1323 OH TYR A 82 -13.587 -11.612 -5.436 1.00 0.00 O ATOM 0 H TYR A 82 -15.627 -11.070 0.104 1.00 0.00 H new ATOM 0 HA TYR A 82 -18.214 -11.834 -0.995 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -15.812 -13.463 -0.104 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -17.138 -14.004 -1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -17.309 -13.214 -3.472 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -14.017 -12.157 -1.004 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -16.026 -12.553 -5.455 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -12.737 -11.503 -2.961 1.00 0.00 H new ATOM 0 HH TYR A 82 -12.811 -11.082 -5.158 1.00 0.00 H new TER 1333 TYR A 82