USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 580 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 27 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 33 SER OG : rot 62:sc= 0.0493 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.448 K(o=-0.45,f=-1.1) USER MOD Single : A 8 GLN : amide:sc= -1.01 K(o=-1,f=-0.32) USER MOD Single : A 13 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.22) USER MOD Single : A 26 GLN : amide:sc= -0.231 K(o=-0.23,f=-0.76) USER MOD Single : A 37 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.11) USER MOD Single : A 45 SER OG : rot 180:sc= 0.211 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.46) USER MOD Single : A 57 THR OG1 : rot -5:sc= 1.52 USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0519) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 65 GLN : amide:sc= -0.646 K(o=-0.65,f=-7.9!) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 160:sc= -0.0141 (180deg=-0.243) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 84:sc= 0.0335 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 2.972 -10.650 13.451 1.00 0.00 N ATOM 2 CA GLN A 6 1.994 -9.574 13.558 1.00 0.00 C ATOM 3 C GLN A 6 2.669 -8.277 13.992 1.00 0.00 C ATOM 4 O GLN A 6 2.072 -7.202 13.923 1.00 0.00 O ATOM 5 CB GLN A 6 0.910 -9.953 14.571 1.00 0.00 C ATOM 6 CG GLN A 6 -0.298 -9.029 14.402 1.00 0.00 C ATOM 7 CD GLN A 6 -1.431 -9.482 15.316 1.00 0.00 C ATOM 8 OE1 GLN A 6 -2.254 -10.309 14.923 1.00 0.00 O ATOM 9 NE2 GLN A 6 -1.524 -8.987 16.520 1.00 0.00 N ATOM 0 HA GLN A 6 1.539 -9.422 12.579 1.00 0.00 H new ATOM 0 HB2 GLN A 6 0.610 -10.991 14.426 1.00 0.00 H new ATOM 0 HB3 GLN A 6 1.302 -9.873 15.585 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -0.017 -8.003 14.638 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -0.631 -9.038 13.364 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -0.841 -8.302 16.844 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -2.279 -9.285 17.137 1.00 0.00 H new ATOM 18 N GLN A 7 3.916 -8.385 14.438 1.00 0.00 N ATOM 19 CA GLN A 7 4.663 -7.216 14.881 1.00 0.00 C ATOM 20 C GLN A 7 4.817 -6.214 13.741 1.00 0.00 C ATOM 21 O GLN A 7 4.362 -5.076 13.835 1.00 0.00 O ATOM 22 CB GLN A 7 6.047 -7.641 15.378 1.00 0.00 C ATOM 23 CG GLN A 7 5.910 -8.358 16.723 1.00 0.00 C ATOM 24 CD GLN A 7 5.602 -7.348 17.823 1.00 0.00 C ATOM 25 OE1 GLN A 7 4.442 -6.995 18.036 1.00 0.00 O ATOM 26 NE2 GLN A 7 6.577 -6.861 18.541 1.00 0.00 N ATOM 0 H GLN A 7 4.427 -9.265 14.502 1.00 0.00 H new ATOM 0 HA GLN A 7 4.113 -6.742 15.694 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.520 -8.300 14.650 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.691 -6.768 15.484 1.00 0.00 H new ATOM 0 HG2 GLN A 7 5.116 -9.102 16.668 1.00 0.00 H new ATOM 0 HG3 GLN A 7 6.831 -8.892 16.956 1.00 0.00 H new ATOM 0 HE21 GLN A 7 7.537 -7.155 18.363 1.00 0.00 H new ATOM 0 HE22 GLN A 7 6.379 -6.187 19.280 1.00 0.00 H new ATOM 35 N GLN A 8 5.461 -6.646 12.663 1.00 0.00 N ATOM 36 CA GLN A 8 5.669 -5.777 11.512 1.00 0.00 C ATOM 37 C GLN A 8 4.360 -5.117 11.087 1.00 0.00 C ATOM 38 O GLN A 8 4.352 -3.976 10.627 1.00 0.00 O ATOM 39 CB GLN A 8 6.240 -6.585 10.344 1.00 0.00 C ATOM 40 CG GLN A 8 7.709 -6.913 10.615 1.00 0.00 C ATOM 41 CD GLN A 8 8.573 -5.678 10.377 1.00 0.00 C ATOM 42 OE1 GLN A 8 9.122 -5.504 9.289 1.00 0.00 O ATOM 43 NE2 GLN A 8 8.727 -4.806 11.335 1.00 0.00 N ATOM 0 H GLN A 8 5.845 -7.585 12.562 1.00 0.00 H new ATOM 0 HA GLN A 8 6.376 -4.997 11.796 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.670 -7.505 10.212 1.00 0.00 H new ATOM 0 HB3 GLN A 8 6.149 -6.018 9.418 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.829 -7.259 11.642 1.00 0.00 H new ATOM 0 HG3 GLN A 8 8.035 -7.725 9.965 1.00 0.00 H new ATOM 0 HE21 GLN A 8 8.271 -4.952 12.236 1.00 0.00 H new ATOM 0 HE22 GLN A 8 9.303 -3.978 11.183 1.00 0.00 H new ATOM 52 N ALA A 9 3.258 -5.844 11.238 1.00 0.00 N ATOM 53 CA ALA A 9 1.951 -5.316 10.858 1.00 0.00 C ATOM 54 C ALA A 9 1.534 -4.171 11.777 1.00 0.00 C ATOM 55 O ALA A 9 1.437 -3.023 11.345 1.00 0.00 O ATOM 56 CB ALA A 9 0.901 -6.428 10.919 1.00 0.00 C ATOM 0 H ALA A 9 3.242 -6.791 11.617 1.00 0.00 H new ATOM 0 HA ALA A 9 2.023 -4.934 9.840 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.071 -6.026 10.634 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.178 -7.228 10.233 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.847 -6.823 11.934 1.00 0.00 H new ATOM 62 N VAL A 10 1.282 -4.490 13.043 1.00 0.00 N ATOM 63 CA VAL A 10 0.867 -3.475 14.006 1.00 0.00 C ATOM 64 C VAL A 10 1.914 -2.370 14.111 1.00 0.00 C ATOM 65 O VAL A 10 1.575 -1.189 14.186 1.00 0.00 O ATOM 66 CB VAL A 10 0.647 -4.109 15.380 1.00 0.00 C ATOM 67 CG1 VAL A 10 1.974 -4.646 15.917 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.097 -3.056 16.344 1.00 0.00 C ATOM 0 H VAL A 10 1.357 -5.433 13.423 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.069 -3.038 13.658 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.065 -4.929 15.290 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.814 -5.097 16.896 1.00 0.00 H new ATOM 0 HG12 VAL A 10 2.367 -5.397 15.231 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.688 -3.827 16.007 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.060 -3.507 17.324 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.809 -2.236 16.432 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.851 -2.674 15.964 1.00 0.00 H new ATOM 78 N LEU A 11 3.186 -2.756 14.117 1.00 0.00 N ATOM 79 CA LEU A 11 4.265 -1.779 14.214 1.00 0.00 C ATOM 80 C LEU A 11 4.203 -0.802 13.044 1.00 0.00 C ATOM 81 O LEU A 11 4.048 0.403 13.239 1.00 0.00 O ATOM 82 CB LEU A 11 5.624 -2.486 14.217 1.00 0.00 C ATOM 83 CG LEU A 11 5.824 -3.237 15.541 1.00 0.00 C ATOM 84 CD1 LEU A 11 7.124 -4.043 15.470 1.00 0.00 C ATOM 85 CD2 LEU A 11 5.907 -2.237 16.706 1.00 0.00 C ATOM 0 H LEU A 11 3.493 -3.727 14.057 1.00 0.00 H new ATOM 0 HA LEU A 11 4.145 -1.228 15.147 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.682 -3.184 13.382 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.422 -1.757 14.079 1.00 0.00 H new ATOM 0 HG LEU A 11 4.980 -3.907 15.706 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.272 -4.579 16.408 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.065 -4.758 14.649 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.963 -3.367 15.302 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.049 -2.779 17.641 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.748 -1.562 16.547 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.983 -1.661 16.757 1.00 0.00 H new ATOM 97 N GLU A 12 4.322 -1.328 11.828 1.00 0.00 N ATOM 98 CA GLU A 12 4.275 -0.487 10.637 1.00 0.00 C ATOM 99 C GLU A 12 3.053 0.424 10.677 1.00 0.00 C ATOM 100 O GLU A 12 3.160 1.633 10.473 1.00 0.00 O ATOM 101 CB GLU A 12 4.224 -1.357 9.381 1.00 0.00 C ATOM 102 CG GLU A 12 5.594 -1.998 9.146 1.00 0.00 C ATOM 103 CD GLU A 12 6.565 -0.966 8.586 1.00 0.00 C ATOM 104 OE1 GLU A 12 6.614 -0.822 7.376 1.00 0.00 O ATOM 105 OE2 GLU A 12 7.246 -0.332 9.376 1.00 0.00 O ATOM 0 H GLU A 12 4.450 -2.323 11.643 1.00 0.00 H new ATOM 0 HA GLU A 12 5.175 0.128 10.613 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.464 -2.130 9.492 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.941 -0.753 8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.980 -2.402 10.082 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.499 -2.834 8.453 1.00 0.00 H new ATOM 112 N GLN A 13 1.890 -0.164 10.941 1.00 0.00 N ATOM 113 CA GLN A 13 0.653 0.605 11.007 1.00 0.00 C ATOM 114 C GLN A 13 0.793 1.757 11.996 1.00 0.00 C ATOM 115 O GLN A 13 0.379 2.882 11.715 1.00 0.00 O ATOM 116 CB GLN A 13 -0.504 -0.301 11.434 1.00 0.00 C ATOM 117 CG GLN A 13 -1.829 0.450 11.283 1.00 0.00 C ATOM 118 CD GLN A 13 -2.130 0.687 9.807 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.585 -0.221 9.111 1.00 0.00 O ATOM 120 NE2 GLN A 13 -1.902 1.861 9.284 1.00 0.00 N ATOM 0 H GLN A 13 1.779 -1.163 11.112 1.00 0.00 H new ATOM 0 HA GLN A 13 0.447 1.013 10.018 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.515 -1.205 10.824 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.369 -0.616 12.469 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.636 -0.124 11.739 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.778 1.403 11.810 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.525 2.612 9.862 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.101 2.027 8.297 1.00 0.00 H new ATOM 129 N GLU A 14 1.380 1.470 13.153 1.00 0.00 N ATOM 130 CA GLU A 14 1.569 2.491 14.177 1.00 0.00 C ATOM 131 C GLU A 14 2.536 3.565 13.691 1.00 0.00 C ATOM 132 O GLU A 14 2.222 4.755 13.718 1.00 0.00 O ATOM 133 CB GLU A 14 2.114 1.853 15.457 1.00 0.00 C ATOM 134 CG GLU A 14 0.998 1.075 16.156 1.00 0.00 C ATOM 135 CD GLU A 14 1.591 0.149 17.213 1.00 0.00 C ATOM 136 OE1 GLU A 14 2.642 -0.413 16.956 1.00 0.00 O ATOM 137 OE2 GLU A 14 0.985 0.017 18.264 1.00 0.00 O ATOM 0 H GLU A 14 1.731 0.546 13.404 1.00 0.00 H new ATOM 0 HA GLU A 14 0.604 2.954 14.384 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.942 1.186 15.219 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.506 2.623 16.121 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.296 1.768 16.620 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.436 0.494 15.425 1.00 0.00 H new ATOM 144 N ARG A 15 3.712 3.138 13.245 1.00 0.00 N ATOM 145 CA ARG A 15 4.717 4.074 12.754 1.00 0.00 C ATOM 146 C ARG A 15 4.087 5.086 11.801 1.00 0.00 C ATOM 147 O ARG A 15 4.249 6.295 11.969 1.00 0.00 O ATOM 148 CB ARG A 15 5.832 3.314 12.030 1.00 0.00 C ATOM 149 CG ARG A 15 6.510 2.338 13.001 1.00 0.00 C ATOM 150 CD ARG A 15 7.603 3.062 13.792 1.00 0.00 C ATOM 151 NE ARG A 15 8.312 2.121 14.651 1.00 0.00 N ATOM 152 CZ ARG A 15 9.221 2.541 15.525 1.00 0.00 C ATOM 153 NH1 ARG A 15 9.490 3.814 15.625 1.00 0.00 N ATOM 154 NH2 ARG A 15 9.844 1.680 16.282 1.00 0.00 N ATOM 0 H ARG A 15 3.992 2.158 13.213 1.00 0.00 H new ATOM 0 HA ARG A 15 5.136 4.607 13.607 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.421 2.769 11.180 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.566 4.016 11.634 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.771 1.920 13.685 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.942 1.503 12.449 1.00 0.00 H new ATOM 0 HD2 ARG A 15 8.304 3.538 13.106 1.00 0.00 H new ATOM 0 HD3 ARG A 15 7.160 3.854 14.396 1.00 0.00 H new ATOM 0 HE ARG A 15 8.107 1.124 14.580 1.00 0.00 H new ATOM 0 HH11 ARG A 15 9.003 4.486 15.033 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.188 4.137 16.296 1.00 0.00 H new ATOM 0 HH21 ARG A 15 9.633 0.685 16.203 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.542 2.002 16.953 1.00 0.00 H new ATOM 168 N ARG A 16 3.369 4.584 10.802 1.00 0.00 N ATOM 169 CA ARG A 16 2.720 5.455 9.830 1.00 0.00 C ATOM 170 C ARG A 16 1.644 6.302 10.503 1.00 0.00 C ATOM 171 O ARG A 16 1.695 7.532 10.466 1.00 0.00 O ATOM 172 CB ARG A 16 2.091 4.617 8.716 1.00 0.00 C ATOM 173 CG ARG A 16 3.190 4.073 7.801 1.00 0.00 C ATOM 174 CD ARG A 16 2.566 3.189 6.720 1.00 0.00 C ATOM 175 NE ARG A 16 3.562 2.850 5.709 1.00 0.00 N ATOM 176 CZ ARG A 16 3.350 1.869 4.837 1.00 0.00 C ATOM 177 NH1 ARG A 16 2.235 1.192 4.877 1.00 0.00 N ATOM 178 NH2 ARG A 16 4.256 1.585 3.942 1.00 0.00 N ATOM 0 H ARG A 16 3.223 3.587 10.645 1.00 0.00 H new ATOM 0 HA ARG A 16 3.473 6.118 9.404 1.00 0.00 H new ATOM 0 HB2 ARG A 16 1.520 3.794 9.145 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.392 5.224 8.141 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.735 4.897 7.341 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.911 3.499 8.383 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.169 2.279 7.169 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.727 3.708 6.255 1.00 0.00 H new ATOM 0 HE ARG A 16 4.436 3.375 5.671 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.527 1.416 5.577 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.071 0.439 4.209 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.127 2.116 3.911 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.094 0.832 3.273 1.00 0.00 H new ATOM 192 N ASP A 17 0.671 5.637 11.117 1.00 0.00 N ATOM 193 CA ASP A 17 -0.414 6.338 11.794 1.00 0.00 C ATOM 194 C ASP A 17 0.126 7.524 12.589 1.00 0.00 C ATOM 195 O ASP A 17 -0.404 8.632 12.503 1.00 0.00 O ATOM 196 CB ASP A 17 -1.146 5.382 12.736 1.00 0.00 C ATOM 197 CG ASP A 17 -2.489 5.979 13.145 1.00 0.00 C ATOM 198 OD1 ASP A 17 -3.182 6.481 12.276 1.00 0.00 O ATOM 199 OD2 ASP A 17 -2.804 5.926 14.323 1.00 0.00 O ATOM 0 H ASP A 17 0.611 4.620 11.160 1.00 0.00 H new ATOM 0 HA ASP A 17 -1.108 6.707 11.039 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.300 4.421 12.245 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.538 5.194 13.621 1.00 0.00 H new ATOM 204 N ARG A 18 1.181 7.285 13.360 1.00 0.00 N ATOM 205 CA ARG A 18 1.782 8.343 14.166 1.00 0.00 C ATOM 206 C ARG A 18 2.362 9.433 13.271 1.00 0.00 C ATOM 207 O ARG A 18 2.024 10.608 13.412 1.00 0.00 O ATOM 208 CB ARG A 18 2.887 7.762 15.049 1.00 0.00 C ATOM 209 CG ARG A 18 2.266 6.879 16.133 1.00 0.00 C ATOM 210 CD ARG A 18 3.347 6.455 17.129 1.00 0.00 C ATOM 211 NE ARG A 18 4.570 6.088 16.422 1.00 0.00 N ATOM 212 CZ ARG A 18 5.684 5.790 17.083 1.00 0.00 C ATOM 213 NH1 ARG A 18 5.695 5.821 18.388 1.00 0.00 N ATOM 214 NH2 ARG A 18 6.764 5.467 16.428 1.00 0.00 N ATOM 0 H ARG A 18 1.635 6.376 13.444 1.00 0.00 H new ATOM 0 HA ARG A 18 1.007 8.780 14.796 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.581 7.179 14.444 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.462 8.567 15.507 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.474 7.422 16.649 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.808 5.999 15.682 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.551 7.270 17.824 1.00 0.00 H new ATOM 0 HD3 ARG A 18 2.994 5.611 17.722 1.00 0.00 H new ATOM 0 HE ARG A 18 4.570 6.060 15.402 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.849 6.074 18.899 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.549 5.593 18.896 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.754 5.443 15.408 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.619 5.238 16.935 1.00 0.00 H new ATOM 228 N GLU A 19 3.236 9.037 12.352 1.00 0.00 N ATOM 229 CA GLU A 19 3.856 9.991 11.440 1.00 0.00 C ATOM 230 C GLU A 19 2.809 10.942 10.869 1.00 0.00 C ATOM 231 O GLU A 19 2.869 12.151 11.089 1.00 0.00 O ATOM 232 CB GLU A 19 4.552 9.246 10.297 1.00 0.00 C ATOM 233 CG GLU A 19 5.847 8.615 10.810 1.00 0.00 C ATOM 234 CD GLU A 19 6.337 7.556 9.827 1.00 0.00 C ATOM 235 OE1 GLU A 19 5.947 6.409 9.979 1.00 0.00 O ATOM 236 OE2 GLU A 19 7.093 7.908 8.938 1.00 0.00 O ATOM 0 H GLU A 19 3.529 8.069 12.219 1.00 0.00 H new ATOM 0 HA GLU A 19 4.593 10.571 11.995 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.893 8.475 9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.769 9.934 9.480 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.609 9.383 10.939 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.679 8.165 11.788 1.00 0.00 H new ATOM 243 N LEU A 20 1.850 10.387 10.135 1.00 0.00 N ATOM 244 CA LEU A 20 0.794 11.196 9.540 1.00 0.00 C ATOM 245 C LEU A 20 0.079 12.011 10.613 1.00 0.00 C ATOM 246 O LEU A 20 0.139 13.240 10.615 1.00 0.00 O ATOM 247 CB LEU A 20 -0.215 10.294 8.820 1.00 0.00 C ATOM 248 CG LEU A 20 0.326 9.912 7.440 1.00 0.00 C ATOM 249 CD1 LEU A 20 1.735 9.333 7.582 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.591 8.864 6.806 1.00 0.00 C ATOM 0 H LEU A 20 1.783 9.388 9.939 1.00 0.00 H new ATOM 0 HA LEU A 20 1.245 11.879 8.820 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.400 9.396 9.410 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.170 10.810 8.717 1.00 0.00 H new ATOM 0 HG LEU A 20 0.361 10.799 6.808 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.118 9.062 6.598 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.390 10.077 8.034 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.702 8.447 8.215 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.207 8.591 5.823 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.625 7.979 7.441 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.595 9.275 6.702 1.00 0.00 H new ATOM 262 N ALA A 21 -0.598 11.318 11.525 1.00 0.00 N ATOM 263 CA ALA A 21 -1.322 11.987 12.601 1.00 0.00 C ATOM 264 C ALA A 21 -0.514 13.161 13.146 1.00 0.00 C ATOM 265 O ALA A 21 -1.070 14.211 13.472 1.00 0.00 O ATOM 266 CB ALA A 21 -1.609 10.995 13.730 1.00 0.00 C ATOM 0 H ALA A 21 -0.660 10.300 11.541 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.262 12.365 12.200 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.150 11.501 14.530 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.213 10.173 13.347 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.669 10.604 14.118 1.00 0.00 H new ATOM 272 N LEU A 22 0.799 12.978 13.238 1.00 0.00 N ATOM 273 CA LEU A 22 1.673 14.030 13.741 1.00 0.00 C ATOM 274 C LEU A 22 1.688 15.211 12.777 1.00 0.00 C ATOM 275 O LEU A 22 1.477 16.355 13.177 1.00 0.00 O ATOM 276 CB LEU A 22 3.096 13.491 13.916 1.00 0.00 C ATOM 277 CG LEU A 22 3.910 14.447 14.800 1.00 0.00 C ATOM 278 CD1 LEU A 22 3.698 14.098 16.277 1.00 0.00 C ATOM 279 CD2 LEU A 22 5.397 14.314 14.461 1.00 0.00 C ATOM 0 H LEU A 22 1.278 12.117 12.973 1.00 0.00 H new ATOM 0 HA LEU A 22 1.294 14.365 14.707 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.066 12.500 14.368 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.576 13.383 12.943 1.00 0.00 H new ATOM 0 HG LEU A 22 3.580 15.470 14.618 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.278 14.780 16.899 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.641 14.192 16.525 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.024 13.074 16.459 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.975 14.992 15.088 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.721 13.289 14.641 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.555 14.566 13.412 1.00 0.00 H new ATOM 291 N ARG A 23 1.933 14.923 11.502 1.00 0.00 N ATOM 292 CA ARG A 23 1.966 15.969 10.489 1.00 0.00 C ATOM 293 C ARG A 23 0.678 16.782 10.532 1.00 0.00 C ATOM 294 O ARG A 23 0.706 18.003 10.695 1.00 0.00 O ATOM 295 CB ARG A 23 2.135 15.347 9.101 1.00 0.00 C ATOM 296 CG ARG A 23 3.603 14.968 8.883 1.00 0.00 C ATOM 297 CD ARG A 23 3.730 14.135 7.607 1.00 0.00 C ATOM 298 NE ARG A 23 2.822 14.637 6.582 1.00 0.00 N ATOM 299 CZ ARG A 23 3.084 15.762 5.924 1.00 0.00 C ATOM 300 NH1 ARG A 23 4.169 16.436 6.189 1.00 0.00 N ATOM 301 NH2 ARG A 23 2.255 16.192 5.013 1.00 0.00 N ATOM 0 H ARG A 23 2.110 13.982 11.149 1.00 0.00 H new ATOM 0 HA ARG A 23 2.810 16.628 10.693 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.503 14.464 9.008 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.813 16.051 8.334 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.214 15.867 8.805 1.00 0.00 H new ATOM 0 HG3 ARG A 23 3.975 14.403 9.738 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.756 14.171 7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.504 13.091 7.822 1.00 0.00 H new ATOM 0 HE ARG A 23 1.972 14.116 6.366 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.817 16.100 6.901 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.369 17.299 5.684 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.407 15.665 4.806 1.00 0.00 H new ATOM 0 HH22 ARG A 23 2.455 17.055 4.508 1.00 0.00 H new ATOM 315 N ILE A 24 -0.450 16.097 10.390 1.00 0.00 N ATOM 316 CA ILE A 24 -1.742 16.768 10.419 1.00 0.00 C ATOM 317 C ILE A 24 -1.848 17.646 11.660 1.00 0.00 C ATOM 318 O ILE A 24 -2.126 18.841 11.565 1.00 0.00 O ATOM 319 CB ILE A 24 -2.871 15.738 10.420 1.00 0.00 C ATOM 320 CG1 ILE A 24 -2.621 14.708 9.315 1.00 0.00 C ATOM 321 CG2 ILE A 24 -4.206 16.443 10.169 1.00 0.00 C ATOM 322 CD1 ILE A 24 -3.834 13.785 9.190 1.00 0.00 C ATOM 0 H ILE A 24 -0.496 15.087 10.255 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.830 17.393 9.530 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.903 15.234 11.386 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.437 15.214 8.367 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.729 14.124 9.543 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.011 15.708 10.170 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.384 17.177 10.955 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.175 16.947 9.203 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.654 13.053 8.403 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.997 13.269 10.136 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.716 14.375 8.942 1.00 0.00 H new ATOM 334 N ALA A 25 -1.617 17.046 12.822 1.00 0.00 N ATOM 335 CA ALA A 25 -1.684 17.787 14.075 1.00 0.00 C ATOM 336 C ALA A 25 -0.880 19.076 13.965 1.00 0.00 C ATOM 337 O ALA A 25 -1.351 20.150 14.339 1.00 0.00 O ATOM 338 CB ALA A 25 -1.134 16.934 15.220 1.00 0.00 C ATOM 0 H ALA A 25 -1.384 16.058 12.922 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.726 18.032 14.280 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.189 17.497 16.152 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.725 16.023 15.311 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.096 16.674 15.014 1.00 0.00 H new ATOM 344 N GLN A 26 0.336 18.958 13.443 1.00 0.00 N ATOM 345 CA GLN A 26 1.202 20.118 13.279 1.00 0.00 C ATOM 346 C GLN A 26 0.645 21.051 12.209 1.00 0.00 C ATOM 347 O GLN A 26 0.957 22.241 12.187 1.00 0.00 O ATOM 348 CB GLN A 26 2.609 19.665 12.883 1.00 0.00 C ATOM 349 CG GLN A 26 3.232 18.865 14.030 1.00 0.00 C ATOM 350 CD GLN A 26 3.490 19.776 15.225 1.00 0.00 C ATOM 351 OE1 GLN A 26 3.963 20.900 15.060 1.00 0.00 O ATOM 352 NE2 GLN A 26 3.206 19.353 16.427 1.00 0.00 N ATOM 0 H GLN A 26 0.742 18.077 13.128 1.00 0.00 H new ATOM 0 HA GLN A 26 1.247 20.655 14.227 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.565 19.054 11.982 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.229 20.531 12.651 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.567 18.052 14.320 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.166 18.410 13.701 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.814 18.421 16.560 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.376 19.955 17.233 1.00 0.00 H new ATOM 361 N SER A 27 -0.185 20.501 11.326 1.00 0.00 N ATOM 362 CA SER A 27 -0.781 21.298 10.261 1.00 0.00 C ATOM 363 C SER A 27 -1.878 22.191 10.825 1.00 0.00 C ATOM 364 O SER A 27 -1.840 23.412 10.672 1.00 0.00 O ATOM 365 CB SER A 27 -1.365 20.384 9.182 1.00 0.00 C ATOM 366 OG SER A 27 -1.557 21.129 7.989 1.00 0.00 O ATOM 0 H SER A 27 -0.457 19.518 11.327 1.00 0.00 H new ATOM 0 HA SER A 27 -0.005 21.922 9.818 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.693 19.546 8.997 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.313 19.964 9.519 1.00 0.00 H new ATOM 0 HG SER A 27 -1.929 20.546 7.295 1.00 0.00 H new ATOM 372 N GLU A 28 -2.849 21.574 11.489 1.00 0.00 N ATOM 373 CA GLU A 28 -3.945 22.325 12.085 1.00 0.00 C ATOM 374 C GLU A 28 -3.401 23.303 13.118 1.00 0.00 C ATOM 375 O GLU A 28 -3.866 24.437 13.223 1.00 0.00 O ATOM 376 CB GLU A 28 -4.935 21.368 12.758 1.00 0.00 C ATOM 377 CG GLU A 28 -4.968 20.041 11.998 1.00 0.00 C ATOM 378 CD GLU A 28 -6.323 19.362 12.182 1.00 0.00 C ATOM 379 OE1 GLU A 28 -7.304 19.905 11.700 1.00 0.00 O ATOM 380 OE2 GLU A 28 -6.359 18.311 12.800 1.00 0.00 O ATOM 0 H GLU A 28 -2.899 20.565 11.627 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.460 22.878 11.299 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.643 21.197 13.794 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.930 21.813 12.776 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.781 20.216 10.938 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.174 19.387 12.358 1.00 0.00 H new ATOM 387 N ALA A 29 -2.411 22.848 13.878 1.00 0.00 N ATOM 388 CA ALA A 29 -1.806 23.686 14.903 1.00 0.00 C ATOM 389 C ALA A 29 -1.117 24.890 14.269 1.00 0.00 C ATOM 390 O ALA A 29 -1.304 26.025 14.705 1.00 0.00 O ATOM 391 CB ALA A 29 -0.790 22.876 15.709 1.00 0.00 C ATOM 0 H ALA A 29 -2.014 21.911 13.804 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.593 24.041 15.569 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.342 23.511 16.473 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.292 22.034 16.185 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.010 22.505 15.044 1.00 0.00 H new ATOM 397 N GLU A 30 -0.317 24.633 13.238 1.00 0.00 N ATOM 398 CA GLU A 30 0.395 25.704 12.551 1.00 0.00 C ATOM 399 C GLU A 30 -0.556 26.485 11.648 1.00 0.00 C ATOM 400 O GLU A 30 -0.321 27.653 11.343 1.00 0.00 O ATOM 401 CB GLU A 30 1.533 25.120 11.711 1.00 0.00 C ATOM 402 CG GLU A 30 2.634 24.599 12.636 1.00 0.00 C ATOM 403 CD GLU A 30 3.731 23.928 11.816 1.00 0.00 C ATOM 404 OE1 GLU A 30 3.437 23.488 10.717 1.00 0.00 O ATOM 405 OE2 GLU A 30 4.850 23.864 12.300 1.00 0.00 O ATOM 0 H GLU A 30 -0.147 23.700 12.863 1.00 0.00 H new ATOM 0 HA GLU A 30 0.807 26.380 13.300 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.158 24.312 11.083 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.935 25.882 11.043 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.053 25.422 13.215 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.215 23.889 13.349 1.00 0.00 H new ATOM 412 N LEU A 31 -1.632 25.828 11.226 1.00 0.00 N ATOM 413 CA LEU A 31 -2.617 26.467 10.359 1.00 0.00 C ATOM 414 C LEU A 31 -1.944 27.056 9.123 1.00 0.00 C ATOM 415 O LEU A 31 -2.336 28.118 8.639 1.00 0.00 O ATOM 416 CB LEU A 31 -3.348 27.575 11.126 1.00 0.00 C ATOM 417 CG LEU A 31 -4.671 27.912 10.421 1.00 0.00 C ATOM 418 CD1 LEU A 31 -5.776 26.972 10.914 1.00 0.00 C ATOM 419 CD2 LEU A 31 -5.063 29.359 10.734 1.00 0.00 C ATOM 0 H LEU A 31 -1.844 24.860 11.468 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.336 25.712 10.039 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.542 27.254 12.149 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.720 28.464 11.185 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.544 27.790 9.345 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.712 27.215 10.411 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.502 25.941 10.692 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.901 27.091 11.990 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.002 29.598 10.234 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.185 29.478 11.811 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.282 30.032 10.381 1.00 0.00 H new ATOM 431 N ILE A 32 -0.932 26.359 8.614 1.00 0.00 N ATOM 432 CA ILE A 32 -0.214 26.821 7.432 1.00 0.00 C ATOM 433 C ILE A 32 -0.902 26.323 6.164 1.00 0.00 C ATOM 434 O ILE A 32 -0.694 26.865 5.079 1.00 0.00 O ATOM 435 CB ILE A 32 1.233 26.316 7.469 1.00 0.00 C ATOM 436 CG1 ILE A 32 2.029 27.108 8.521 1.00 0.00 C ATOM 437 CG2 ILE A 32 1.880 26.486 6.089 1.00 0.00 C ATOM 438 CD1 ILE A 32 2.590 28.395 7.905 1.00 0.00 C ATOM 0 H ILE A 32 -0.593 25.478 8.999 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.215 27.911 7.428 1.00 0.00 H new ATOM 0 HB ILE A 32 1.238 25.259 7.735 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.386 27.352 9.366 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.844 26.496 8.907 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.908 26.125 6.122 1.00 0.00 H new ATOM 0 HG22 ILE A 32 1.318 25.914 5.351 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.874 27.540 5.812 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.151 28.945 8.660 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.250 28.143 7.075 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.769 29.012 7.541 1.00 0.00 H new ATOM 450 N SER A 33 -1.721 25.287 6.311 1.00 0.00 N ATOM 451 CA SER A 33 -2.434 24.723 5.171 1.00 0.00 C ATOM 452 C SER A 33 -3.497 25.695 4.671 1.00 0.00 C ATOM 453 O SER A 33 -4.692 25.407 4.730 1.00 0.00 O ATOM 454 CB SER A 33 -3.092 23.402 5.567 1.00 0.00 C ATOM 455 OG SER A 33 -3.772 23.569 6.803 1.00 0.00 O ATOM 0 H SER A 33 -1.907 24.824 7.201 1.00 0.00 H new ATOM 0 HA SER A 33 -1.717 24.544 4.370 1.00 0.00 H new ATOM 0 HB2 SER A 33 -3.792 23.085 4.794 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.339 22.619 5.656 1.00 0.00 H new ATOM 0 HG SER A 33 -4.476 24.243 6.701 1.00 0.00 H new ATOM 461 N ASP A 34 -3.053 26.847 4.180 1.00 0.00 N ATOM 462 CA ASP A 34 -3.974 27.856 3.672 1.00 0.00 C ATOM 463 C ASP A 34 -4.998 27.220 2.737 1.00 0.00 C ATOM 464 O ASP A 34 -6.138 27.674 2.647 1.00 0.00 O ATOM 465 CB ASP A 34 -3.198 28.940 2.921 1.00 0.00 C ATOM 466 CG ASP A 34 -4.071 30.178 2.742 1.00 0.00 C ATOM 467 OD1 ASP A 34 -5.255 30.090 3.027 1.00 0.00 O ATOM 468 OD2 ASP A 34 -3.544 31.195 2.323 1.00 0.00 O ATOM 0 H ASP A 34 -2.068 27.104 4.123 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.497 28.304 4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.294 29.199 3.472 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -2.882 28.564 1.948 1.00 0.00 H new ATOM 473 N GLU A 35 -4.583 26.165 2.044 1.00 0.00 N ATOM 474 CA GLU A 35 -5.473 25.471 1.119 1.00 0.00 C ATOM 475 C GLU A 35 -6.766 25.070 1.821 1.00 0.00 C ATOM 476 O GLU A 35 -7.861 25.316 1.314 1.00 0.00 O ATOM 477 CB GLU A 35 -4.781 24.224 0.566 1.00 0.00 C ATOM 478 CG GLU A 35 -5.645 23.607 -0.536 1.00 0.00 C ATOM 479 CD GLU A 35 -4.970 22.356 -1.087 1.00 0.00 C ATOM 480 OE1 GLU A 35 -4.965 21.353 -0.392 1.00 0.00 O ATOM 481 OE2 GLU A 35 -4.467 22.418 -2.197 1.00 0.00 O ATOM 0 H GLU A 35 -3.643 25.774 2.104 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.713 26.146 0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.800 24.485 0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.620 23.500 1.365 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -6.629 23.355 -0.140 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.799 24.330 -1.337 1.00 0.00 H new ATOM 488 N ALA A 36 -6.631 24.453 2.991 1.00 0.00 N ATOM 489 CA ALA A 36 -7.796 24.023 3.755 1.00 0.00 C ATOM 490 C ALA A 36 -8.684 25.216 4.094 1.00 0.00 C ATOM 491 O ALA A 36 -9.882 25.211 3.810 1.00 0.00 O ATOM 492 CB ALA A 36 -7.348 23.333 5.045 1.00 0.00 C ATOM 0 H ALA A 36 -5.734 24.241 3.428 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.368 23.321 3.148 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.224 23.015 5.610 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.739 22.463 4.800 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.762 24.029 5.645 1.00 0.00 H new ATOM 498 N GLN A 37 -8.089 26.236 4.704 1.00 0.00 N ATOM 499 CA GLN A 37 -8.837 27.431 5.076 1.00 0.00 C ATOM 500 C GLN A 37 -9.616 27.968 3.881 1.00 0.00 C ATOM 501 O GLN A 37 -10.811 28.245 3.981 1.00 0.00 O ATOM 502 CB GLN A 37 -7.879 28.509 5.589 1.00 0.00 C ATOM 503 CG GLN A 37 -6.897 27.893 6.587 1.00 0.00 C ATOM 504 CD GLN A 37 -7.660 27.154 7.682 1.00 0.00 C ATOM 505 OE1 GLN A 37 -7.304 26.031 8.038 1.00 0.00 O ATOM 506 NE2 GLN A 37 -8.692 27.723 8.242 1.00 0.00 N ATOM 0 H GLN A 37 -7.099 26.260 4.950 1.00 0.00 H new ATOM 0 HA GLN A 37 -9.541 27.165 5.865 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.335 28.952 4.755 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.441 29.312 6.066 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.226 27.205 6.072 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -6.277 28.673 7.028 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.985 28.654 7.945 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.206 27.237 8.977 1.00 0.00 H new ATOM 515 N ALA A 38 -8.931 28.113 2.751 1.00 0.00 N ATOM 516 CA ALA A 38 -9.569 28.618 1.542 1.00 0.00 C ATOM 517 C ALA A 38 -10.706 27.696 1.111 1.00 0.00 C ATOM 518 O ALA A 38 -11.735 28.153 0.616 1.00 0.00 O ATOM 519 CB ALA A 38 -8.541 28.724 0.414 1.00 0.00 C ATOM 0 H ALA A 38 -7.941 27.890 2.648 1.00 0.00 H new ATOM 0 HA ALA A 38 -9.978 29.606 1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -9.026 29.102 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.744 29.406 0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -8.119 27.739 0.212 1.00 0.00 H new ATOM 525 N ASP A 39 -10.510 26.395 1.301 1.00 0.00 N ATOM 526 CA ASP A 39 -11.524 25.416 0.927 1.00 0.00 C ATOM 527 C ASP A 39 -12.732 25.514 1.854 1.00 0.00 C ATOM 528 O ASP A 39 -13.874 25.552 1.398 1.00 0.00 O ATOM 529 CB ASP A 39 -10.938 24.006 0.995 1.00 0.00 C ATOM 530 CG ASP A 39 -9.778 23.873 0.014 1.00 0.00 C ATOM 531 OD1 ASP A 39 -9.338 24.893 -0.491 1.00 0.00 O ATOM 532 OD2 ASP A 39 -9.347 22.756 -0.217 1.00 0.00 O ATOM 0 H ASP A 39 -9.664 25.996 1.709 1.00 0.00 H new ATOM 0 HA ASP A 39 -11.846 25.626 -0.093 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -10.594 23.795 2.008 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -11.709 23.272 0.761 1.00 0.00 H new ATOM 537 N LEU A 40 -12.472 25.553 3.156 1.00 0.00 N ATOM 538 CA LEU A 40 -13.549 25.646 4.134 1.00 0.00 C ATOM 539 C LEU A 40 -14.308 26.959 3.968 1.00 0.00 C ATOM 540 O LEU A 40 -15.514 27.026 4.205 1.00 0.00 O ATOM 541 CB LEU A 40 -12.978 25.561 5.553 1.00 0.00 C ATOM 542 CG LEU A 40 -12.203 24.246 5.724 1.00 0.00 C ATOM 543 CD1 LEU A 40 -11.219 24.379 6.888 1.00 0.00 C ATOM 544 CD2 LEU A 40 -13.180 23.102 6.017 1.00 0.00 C ATOM 0 H LEU A 40 -11.534 25.522 3.556 1.00 0.00 H new ATOM 0 HA LEU A 40 -14.236 24.816 3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -12.320 26.409 5.741 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -13.785 25.616 6.284 1.00 0.00 H new ATOM 0 HG LEU A 40 -11.658 24.031 4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.670 23.445 7.008 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.518 25.188 6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.767 24.598 7.804 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -12.625 22.172 6.137 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -13.729 23.318 6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -13.882 23.002 5.189 1.00 0.00 H new ATOM 556 N ALA A 41 -13.592 28.002 3.558 1.00 0.00 N ATOM 557 CA ALA A 41 -14.206 29.310 3.364 1.00 0.00 C ATOM 558 C ALA A 41 -15.075 29.318 2.110 1.00 0.00 C ATOM 559 O ALA A 41 -16.251 29.677 2.161 1.00 0.00 O ATOM 560 CB ALA A 41 -13.123 30.382 3.242 1.00 0.00 C ATOM 0 H ALA A 41 -12.593 27.967 3.355 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.835 29.524 4.228 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -13.590 31.356 3.097 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.523 30.399 4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.482 30.157 2.389 1.00 0.00 H new ATOM 566 N LEU A 42 -14.488 28.922 0.983 1.00 0.00 N ATOM 567 CA LEU A 42 -15.224 28.892 -0.276 1.00 0.00 C ATOM 568 C LEU A 42 -16.308 27.817 -0.238 1.00 0.00 C ATOM 569 O LEU A 42 -17.320 27.917 -0.930 1.00 0.00 O ATOM 570 CB LEU A 42 -14.257 28.640 -1.444 1.00 0.00 C ATOM 571 CG LEU A 42 -13.999 27.133 -1.617 1.00 0.00 C ATOM 572 CD1 LEU A 42 -15.067 26.504 -2.530 1.00 0.00 C ATOM 573 CD2 LEU A 42 -12.612 26.924 -2.241 1.00 0.00 C ATOM 0 H LEU A 42 -13.516 28.621 0.916 1.00 0.00 H new ATOM 0 HA LEU A 42 -15.707 29.858 -0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -14.674 29.051 -2.363 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.315 29.157 -1.262 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.045 26.654 -0.639 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -14.869 25.438 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -16.053 26.645 -2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -15.037 26.983 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.426 25.857 -2.365 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -12.573 27.415 -3.214 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.851 27.352 -1.588 1.00 0.00 H new ATOM 585 N ARG A 43 -16.087 26.791 0.578 1.00 0.00 N ATOM 586 CA ARG A 43 -17.053 25.703 0.701 1.00 0.00 C ATOM 587 C ARG A 43 -18.154 26.075 1.688 1.00 0.00 C ATOM 588 O ARG A 43 -19.297 25.638 1.552 1.00 0.00 O ATOM 589 CB ARG A 43 -16.350 24.431 1.174 1.00 0.00 C ATOM 590 CG ARG A 43 -17.373 23.299 1.302 1.00 0.00 C ATOM 591 CD ARG A 43 -16.642 21.961 1.421 1.00 0.00 C ATOM 592 NE ARG A 43 -17.591 20.893 1.719 1.00 0.00 N ATOM 593 CZ ARG A 43 -17.291 19.621 1.483 1.00 0.00 C ATOM 594 NH1 ARG A 43 -16.131 19.307 0.973 1.00 0.00 N ATOM 595 NH2 ARG A 43 -18.156 18.684 1.761 1.00 0.00 N ATOM 0 H ARG A 43 -15.255 26.689 1.160 1.00 0.00 H new ATOM 0 HA ARG A 43 -17.501 25.527 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -15.568 24.151 0.468 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -15.864 24.607 2.134 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -18.002 23.461 2.177 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -18.031 23.290 0.433 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -16.116 21.742 0.492 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -15.889 22.018 2.207 1.00 0.00 H new ATOM 0 HE ARG A 43 -18.501 21.128 2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -15.455 20.039 0.756 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -15.901 18.330 0.792 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -19.062 18.929 2.160 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -17.926 17.707 1.580 1.00 0.00 H new ATOM 609 N ARG A 44 -17.802 26.882 2.684 1.00 0.00 N ATOM 610 CA ARG A 44 -18.765 27.305 3.688 1.00 0.00 C ATOM 611 C ARG A 44 -19.786 28.262 3.077 1.00 0.00 C ATOM 612 O ARG A 44 -20.927 28.341 3.533 1.00 0.00 O ATOM 613 CB ARG A 44 -18.030 27.989 4.845 1.00 0.00 C ATOM 614 CG ARG A 44 -19.020 28.801 5.681 1.00 0.00 C ATOM 615 CD ARG A 44 -18.404 29.115 7.045 1.00 0.00 C ATOM 616 NE ARG A 44 -19.364 29.829 7.880 1.00 0.00 N ATOM 617 CZ ARG A 44 -20.376 29.194 8.462 1.00 0.00 C ATOM 618 NH1 ARG A 44 -20.525 27.909 8.291 1.00 0.00 N ATOM 619 NH2 ARG A 44 -21.220 29.855 9.205 1.00 0.00 N ATOM 0 H ARG A 44 -16.861 27.253 2.815 1.00 0.00 H new ATOM 0 HA ARG A 44 -19.295 26.429 4.063 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -17.540 27.241 5.469 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -17.248 28.641 4.456 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -19.275 29.726 5.164 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -19.947 28.242 5.809 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -18.101 28.191 7.536 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -17.505 29.717 6.916 1.00 0.00 H new ATOM 0 HE ARG A 44 -19.256 30.834 8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -19.865 27.392 7.711 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -21.302 27.422 8.738 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -21.103 30.859 9.339 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -21.997 29.368 9.652 1.00 0.00 H new ATOM 633 N SER A 45 -19.368 28.985 2.043 1.00 0.00 N ATOM 634 CA SER A 45 -20.256 29.933 1.377 1.00 0.00 C ATOM 635 C SER A 45 -21.119 29.219 0.340 1.00 0.00 C ATOM 636 O SER A 45 -20.605 28.518 -0.532 1.00 0.00 O ATOM 637 CB SER A 45 -19.434 31.025 0.693 1.00 0.00 C ATOM 638 OG SER A 45 -20.229 31.660 -0.299 1.00 0.00 O ATOM 0 H SER A 45 -18.428 28.934 1.650 1.00 0.00 H new ATOM 0 HA SER A 45 -20.906 30.384 2.127 1.00 0.00 H new ATOM 0 HB2 SER A 45 -19.097 31.756 1.428 1.00 0.00 H new ATOM 0 HB3 SER A 45 -18.542 30.594 0.239 1.00 0.00 H new ATOM 0 HG SER A 45 -19.705 32.362 -0.738 1.00 0.00 H new ATOM 644 N LEU A 46 -22.431 29.401 0.444 1.00 0.00 N ATOM 645 CA LEU A 46 -23.357 28.768 -0.490 1.00 0.00 C ATOM 646 C LEU A 46 -23.422 29.555 -1.795 1.00 0.00 C ATOM 647 O LEU A 46 -24.111 29.162 -2.736 1.00 0.00 O ATOM 648 CB LEU A 46 -24.756 28.688 0.133 1.00 0.00 C ATOM 649 CG LEU A 46 -24.937 27.347 0.851 1.00 0.00 C ATOM 650 CD1 LEU A 46 -24.032 27.297 2.083 1.00 0.00 C ATOM 651 CD2 LEU A 46 -26.396 27.201 1.285 1.00 0.00 C ATOM 0 H LEU A 46 -22.875 29.977 1.159 1.00 0.00 H new ATOM 0 HA LEU A 46 -22.998 27.761 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -24.896 29.508 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -25.514 28.800 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 46 -24.671 26.534 0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -24.163 26.342 2.592 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -22.992 27.405 1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -24.295 28.109 2.761 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -26.530 26.248 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -26.658 28.015 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -27.042 27.236 0.408 1.00 0.00 H new ATOM 663 N ASP A 47 -22.699 30.668 -1.845 1.00 0.00 N ATOM 664 CA ASP A 47 -22.680 31.504 -3.039 1.00 0.00 C ATOM 665 C ASP A 47 -22.009 30.774 -4.200 1.00 0.00 C ATOM 666 O ASP A 47 -21.477 31.402 -5.114 1.00 0.00 O ATOM 667 CB ASP A 47 -21.925 32.802 -2.751 1.00 0.00 C ATOM 668 CG ASP A 47 -22.210 33.827 -3.844 1.00 0.00 C ATOM 669 OD1 ASP A 47 -22.796 33.449 -4.844 1.00 0.00 O ATOM 670 OD2 ASP A 47 -21.838 34.974 -3.662 1.00 0.00 O ATOM 0 H ASP A 47 -22.121 31.011 -1.077 1.00 0.00 H new ATOM 0 HA ASP A 47 -23.710 31.731 -3.315 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -22.226 33.199 -1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -20.854 32.605 -2.697 1.00 0.00 H new ATOM 675 N SER A 48 -22.035 29.445 -4.154 1.00 0.00 N ATOM 676 CA SER A 48 -21.422 28.640 -5.207 1.00 0.00 C ATOM 677 C SER A 48 -22.466 28.205 -6.230 1.00 0.00 C ATOM 678 O SER A 48 -22.214 28.230 -7.436 1.00 0.00 O ATOM 679 CB SER A 48 -20.758 27.406 -4.592 1.00 0.00 C ATOM 680 OG SER A 48 -19.502 27.777 -4.039 1.00 0.00 O ATOM 0 H SER A 48 -22.470 28.906 -3.405 1.00 0.00 H new ATOM 0 HA SER A 48 -20.671 29.246 -5.714 1.00 0.00 H new ATOM 0 HB2 SER A 48 -21.398 26.981 -3.819 1.00 0.00 H new ATOM 0 HB3 SER A 48 -20.621 26.636 -5.351 1.00 0.00 H new ATOM 0 HG SER A 48 -19.074 26.990 -3.642 1.00 0.00 H new ATOM 686 N TYR A 49 -23.635 27.806 -5.745 1.00 0.00 N ATOM 687 CA TYR A 49 -24.708 27.365 -6.631 1.00 0.00 C ATOM 688 C TYR A 49 -25.292 28.557 -7.393 1.00 0.00 C ATOM 689 O TYR A 49 -25.282 29.681 -6.895 1.00 0.00 O ATOM 690 CB TYR A 49 -25.812 26.686 -5.812 1.00 0.00 C ATOM 691 CG TYR A 49 -25.388 25.278 -5.458 1.00 0.00 C ATOM 692 CD1 TYR A 49 -24.263 25.067 -4.651 1.00 0.00 C ATOM 693 CD2 TYR A 49 -26.120 24.183 -5.937 1.00 0.00 C ATOM 694 CE1 TYR A 49 -23.871 23.764 -4.323 1.00 0.00 C ATOM 695 CE2 TYR A 49 -25.727 22.880 -5.609 1.00 0.00 C ATOM 696 CZ TYR A 49 -24.602 22.671 -4.802 1.00 0.00 C ATOM 697 OH TYR A 49 -24.215 21.386 -4.479 1.00 0.00 O ATOM 0 H TYR A 49 -23.865 27.778 -4.752 1.00 0.00 H new ATOM 0 HA TYR A 49 -24.299 26.653 -7.348 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -26.008 27.257 -4.904 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -26.741 26.664 -6.382 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -23.698 25.910 -4.282 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -26.988 24.345 -6.559 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -23.004 23.602 -3.700 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -26.291 22.036 -5.978 1.00 0.00 H new ATOM 0 HH TYR A 49 -24.831 20.745 -4.892 1.00 0.00 H new ATOM 707 N PRO A 50 -25.800 28.333 -8.582 1.00 0.00 N ATOM 708 CA PRO A 50 -26.398 29.411 -9.416 1.00 0.00 C ATOM 709 C PRO A 50 -27.257 30.370 -8.599 1.00 0.00 C ATOM 710 O PRO A 50 -27.488 30.162 -7.408 1.00 0.00 O ATOM 711 CB PRO A 50 -27.253 28.647 -10.428 1.00 0.00 C ATOM 712 CG PRO A 50 -26.590 27.317 -10.581 1.00 0.00 C ATOM 713 CD PRO A 50 -25.856 27.031 -9.265 1.00 0.00 C ATOM 0 HA PRO A 50 -25.636 30.040 -9.875 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -28.278 28.537 -10.073 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -27.300 29.175 -11.381 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -27.326 26.540 -10.789 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -25.892 27.328 -11.418 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -26.388 26.292 -8.667 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -24.857 26.635 -9.446 1.00 0.00 H new ATOM 721 N VAL A 51 -27.729 31.418 -9.258 1.00 0.00 N ATOM 722 CA VAL A 51 -28.568 32.416 -8.605 1.00 0.00 C ATOM 723 C VAL A 51 -30.042 32.123 -8.864 1.00 0.00 C ATOM 724 O VAL A 51 -30.558 32.395 -9.949 1.00 0.00 O ATOM 725 CB VAL A 51 -28.219 33.809 -9.133 1.00 0.00 C ATOM 726 CG1 VAL A 51 -29.217 34.829 -8.587 1.00 0.00 C ATOM 727 CG2 VAL A 51 -26.806 34.186 -8.683 1.00 0.00 C ATOM 0 H VAL A 51 -27.546 31.601 -10.245 1.00 0.00 H new ATOM 0 HA VAL A 51 -28.386 32.378 -7.531 1.00 0.00 H new ATOM 0 HB VAL A 51 -28.265 33.805 -10.222 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -28.967 35.821 -8.964 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -30.223 34.562 -8.909 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -29.174 34.833 -7.498 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -26.557 35.178 -9.059 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -26.759 34.188 -7.594 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -26.094 33.460 -9.075 1.00 0.00 H new ATOM 737 N SER A 52 -30.715 31.567 -7.861 1.00 0.00 N ATOM 738 CA SER A 52 -32.131 31.239 -7.988 1.00 0.00 C ATOM 739 C SER A 52 -32.997 32.381 -7.466 1.00 0.00 C ATOM 740 O SER A 52 -32.877 32.785 -6.310 1.00 0.00 O ATOM 741 CB SER A 52 -32.443 29.964 -7.204 1.00 0.00 C ATOM 742 OG SER A 52 -33.849 29.755 -7.186 1.00 0.00 O ATOM 0 H SER A 52 -30.305 31.335 -6.956 1.00 0.00 H new ATOM 0 HA SER A 52 -32.354 31.083 -9.043 1.00 0.00 H new ATOM 0 HB2 SER A 52 -31.943 29.111 -7.662 1.00 0.00 H new ATOM 0 HB3 SER A 52 -32.063 30.048 -6.186 1.00 0.00 H new ATOM 0 HG SER A 52 -34.052 28.937 -6.685 1.00 0.00 H new ATOM 748 N LYS A 53 -33.870 32.896 -8.327 1.00 0.00 N ATOM 749 CA LYS A 53 -34.753 33.993 -7.941 1.00 0.00 C ATOM 750 C LYS A 53 -36.013 33.454 -7.272 1.00 0.00 C ATOM 751 O LYS A 53 -36.313 32.263 -7.358 1.00 0.00 O ATOM 752 CB LYS A 53 -35.140 34.810 -9.175 1.00 0.00 C ATOM 753 CG LYS A 53 -33.879 35.184 -9.958 1.00 0.00 C ATOM 754 CD LYS A 53 -34.246 36.150 -11.087 1.00 0.00 C ATOM 755 CE LYS A 53 -32.970 36.661 -11.757 1.00 0.00 C ATOM 756 NZ LYS A 53 -33.330 37.545 -12.900 1.00 0.00 N ATOM 0 H LYS A 53 -33.985 32.575 -9.288 1.00 0.00 H new ATOM 0 HA LYS A 53 -34.223 34.631 -7.234 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -35.816 34.235 -9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -35.674 35.711 -8.874 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -33.149 35.646 -9.293 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -33.414 34.288 -10.369 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -34.877 35.647 -11.819 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -34.822 36.987 -10.691 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -32.363 37.209 -11.037 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -32.369 35.822 -12.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -32.463 37.893 -13.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -33.893 37.008 -13.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -33.886 38.352 -12.553 1.00 0.00 H new ATOM 770 N ASN A 54 -36.748 34.339 -6.606 1.00 0.00 N ATOM 771 CA ASN A 54 -37.975 33.941 -5.927 1.00 0.00 C ATOM 772 C ASN A 54 -37.753 32.662 -5.126 1.00 0.00 C ATOM 773 O ASN A 54 -38.681 31.883 -4.911 1.00 0.00 O ATOM 774 CB ASN A 54 -39.090 33.717 -6.950 1.00 0.00 C ATOM 775 CG ASN A 54 -40.440 33.639 -6.243 1.00 0.00 C ATOM 776 OD1 ASN A 54 -40.829 34.573 -5.543 1.00 0.00 O ATOM 777 ND2 ASN A 54 -41.180 32.574 -6.387 1.00 0.00 N ATOM 0 H ASN A 54 -36.517 35.329 -6.522 1.00 0.00 H new ATOM 0 HA ASN A 54 -38.265 34.739 -5.244 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -39.097 34.530 -7.676 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -38.907 32.796 -7.504 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -42.084 32.514 -5.919 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -40.854 31.802 -6.968 1.00 0.00 H new ATOM 784 N ASP A 55 -36.516 32.452 -4.687 1.00 0.00 N ATOM 785 CA ASP A 55 -36.183 31.264 -3.910 1.00 0.00 C ATOM 786 C ASP A 55 -36.906 31.279 -2.567 1.00 0.00 C ATOM 787 O ASP A 55 -37.552 30.301 -2.189 1.00 0.00 O ATOM 788 CB ASP A 55 -34.671 31.199 -3.677 1.00 0.00 C ATOM 789 CG ASP A 55 -34.162 32.551 -3.187 1.00 0.00 C ATOM 790 OD1 ASP A 55 -34.008 33.437 -4.010 1.00 0.00 O ATOM 791 OD2 ASP A 55 -33.931 32.678 -1.995 1.00 0.00 O ATOM 0 H ASP A 55 -35.733 33.084 -4.855 1.00 0.00 H new ATOM 0 HA ASP A 55 -36.503 30.386 -4.471 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -34.440 30.426 -2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -34.163 30.923 -4.601 1.00 0.00 H new ATOM 796 N GLY A 56 -36.794 32.393 -1.853 1.00 0.00 N ATOM 797 CA GLY A 56 -37.442 32.524 -0.553 1.00 0.00 C ATOM 798 C GLY A 56 -36.613 31.860 0.537 1.00 0.00 C ATOM 799 O GLY A 56 -37.028 31.793 1.695 1.00 0.00 O ATOM 0 H GLY A 56 -36.265 33.213 -2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -37.582 33.579 -0.317 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -38.433 32.071 -0.589 1.00 0.00 H new ATOM 803 N THR A 57 -35.437 31.373 0.160 1.00 0.00 N ATOM 804 CA THR A 57 -34.549 30.713 1.108 1.00 0.00 C ATOM 805 C THR A 57 -35.340 29.839 2.075 1.00 0.00 C ATOM 806 O THR A 57 -35.829 30.312 3.101 1.00 0.00 O ATOM 807 CB THR A 57 -33.755 31.759 1.889 1.00 0.00 C ATOM 808 OG1 THR A 57 -34.594 32.359 2.866 1.00 0.00 O ATOM 809 CG2 THR A 57 -33.240 32.828 0.925 1.00 0.00 C ATOM 0 H THR A 57 -35.077 31.423 -0.793 1.00 0.00 H new ATOM 0 HA THR A 57 -33.862 30.076 0.550 1.00 0.00 H new ATOM 0 HB THR A 57 -32.910 31.282 2.385 1.00 0.00 H new ATOM 0 HG1 THR A 57 -35.508 32.018 2.766 1.00 0.00 H new ATOM 0 HG21 THR A 57 -32.673 33.576 1.480 1.00 0.00 H new ATOM 0 HG22 THR A 57 -32.595 32.364 0.178 1.00 0.00 H new ATOM 0 HG23 THR A 57 -34.084 33.307 0.429 1.00 0.00 H new ATOM 817 N ARG A 58 -35.460 28.560 1.738 1.00 0.00 N ATOM 818 CA ARG A 58 -36.192 27.615 2.577 1.00 0.00 C ATOM 819 C ARG A 58 -35.218 26.705 3.326 1.00 0.00 C ATOM 820 O ARG A 58 -34.147 26.381 2.815 1.00 0.00 O ATOM 821 CB ARG A 58 -37.122 26.766 1.706 1.00 0.00 C ATOM 822 CG ARG A 58 -37.748 27.645 0.620 1.00 0.00 C ATOM 823 CD ARG A 58 -38.889 26.886 -0.063 1.00 0.00 C ATOM 824 NE ARG A 58 -39.121 27.423 -1.399 1.00 0.00 N ATOM 825 CZ ARG A 58 -38.387 27.029 -2.436 1.00 0.00 C ATOM 826 NH1 ARG A 58 -37.441 26.147 -2.268 1.00 0.00 N ATOM 827 NH2 ARG A 58 -38.614 27.525 -3.621 1.00 0.00 N ATOM 0 H ARG A 58 -35.061 28.153 0.892 1.00 0.00 H new ATOM 0 HA ARG A 58 -36.782 28.174 3.303 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -36.564 25.948 1.250 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -37.903 26.316 2.320 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -38.124 28.569 1.059 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -36.993 27.925 -0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -38.644 25.826 -0.127 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -39.798 26.968 0.533 1.00 0.00 H new ATOM 0 HE ARG A 58 -39.859 28.113 -1.541 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -37.264 25.759 -1.341 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -36.878 25.845 -3.063 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -39.354 28.215 -3.752 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -38.051 27.223 -4.417 1.00 0.00 H new ATOM 841 N PRO A 59 -35.568 26.287 4.518 1.00 0.00 N ATOM 842 CA PRO A 59 -34.699 25.392 5.338 1.00 0.00 C ATOM 843 C PRO A 59 -34.575 23.998 4.726 1.00 0.00 C ATOM 844 O PRO A 59 -35.136 23.724 3.665 1.00 0.00 O ATOM 845 CB PRO A 59 -35.407 25.337 6.698 1.00 0.00 C ATOM 846 CG PRO A 59 -36.835 25.667 6.411 1.00 0.00 C ATOM 847 CD PRO A 59 -36.823 26.616 5.213 1.00 0.00 C ATOM 0 HA PRO A 59 -33.676 25.763 5.406 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -35.314 24.350 7.150 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -34.971 26.050 7.398 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -37.405 24.765 6.187 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -37.307 26.136 7.274 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -37.689 26.460 4.570 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -36.844 27.659 5.529 1.00 0.00 H new ATOM 855 N LYS A 60 -33.837 23.121 5.401 1.00 0.00 N ATOM 856 CA LYS A 60 -33.648 21.760 4.911 1.00 0.00 C ATOM 857 C LYS A 60 -33.269 20.824 6.055 1.00 0.00 C ATOM 858 O LYS A 60 -32.213 20.974 6.667 1.00 0.00 O ATOM 859 CB LYS A 60 -32.550 21.738 3.845 1.00 0.00 C ATOM 860 CG LYS A 60 -32.603 20.412 3.084 1.00 0.00 C ATOM 861 CD LYS A 60 -31.447 20.351 2.083 1.00 0.00 C ATOM 862 CE LYS A 60 -31.450 18.992 1.381 1.00 0.00 C ATOM 863 NZ LYS A 60 -32.560 18.950 0.386 1.00 0.00 N ATOM 0 H LYS A 60 -33.364 23.326 6.281 1.00 0.00 H new ATOM 0 HA LYS A 60 -34.586 21.418 4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -32.682 22.571 3.155 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -31.573 21.863 4.312 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -32.538 19.577 3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -33.555 20.318 2.562 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -31.545 21.151 1.349 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -30.498 20.504 2.597 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -30.495 18.825 0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -31.572 18.193 2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -32.482 18.084 -0.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -33.473 18.955 0.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -32.501 19.782 -0.236 1.00 0.00 H new ATOM 877 N MET A 61 -34.139 19.860 6.335 1.00 0.00 N ATOM 878 CA MET A 61 -33.886 18.902 7.407 1.00 0.00 C ATOM 879 C MET A 61 -32.962 17.790 6.921 1.00 0.00 C ATOM 880 O MET A 61 -33.357 16.954 6.109 1.00 0.00 O ATOM 881 CB MET A 61 -35.208 18.296 7.890 1.00 0.00 C ATOM 882 CG MET A 61 -35.925 19.290 8.808 1.00 0.00 C ATOM 883 SD MET A 61 -37.663 18.808 8.974 1.00 0.00 S ATOM 884 CE MET A 61 -37.910 19.423 10.659 1.00 0.00 C ATOM 0 H MET A 61 -35.020 19.721 5.839 1.00 0.00 H new ATOM 0 HA MET A 61 -33.405 19.426 8.233 1.00 0.00 H new ATOM 0 HB2 MET A 61 -35.841 18.052 7.037 1.00 0.00 H new ATOM 0 HB3 MET A 61 -35.019 17.364 8.423 1.00 0.00 H new ATOM 0 HG2 MET A 61 -35.446 19.309 9.787 1.00 0.00 H new ATOM 0 HG3 MET A 61 -35.853 20.298 8.399 1.00 0.00 H new ATOM 0 HE1 MET A 61 -38.936 19.227 10.971 1.00 0.00 H new ATOM 0 HE2 MET A 61 -37.221 18.917 11.336 1.00 0.00 H new ATOM 0 HE3 MET A 61 -37.722 20.496 10.686 1.00 0.00 H new ATOM 894 N THR A 62 -31.733 17.785 7.424 1.00 0.00 N ATOM 895 CA THR A 62 -30.765 16.767 7.033 1.00 0.00 C ATOM 896 C THR A 62 -31.067 15.448 7.745 1.00 0.00 C ATOM 897 O THR A 62 -31.561 15.446 8.872 1.00 0.00 O ATOM 898 CB THR A 62 -29.349 17.233 7.388 1.00 0.00 C ATOM 899 OG1 THR A 62 -29.078 16.922 8.748 1.00 0.00 O ATOM 900 CG2 THR A 62 -29.238 18.744 7.177 1.00 0.00 C ATOM 0 H THR A 62 -31.385 18.468 8.097 1.00 0.00 H new ATOM 0 HA THR A 62 -30.835 16.611 5.956 1.00 0.00 H new ATOM 0 HB THR A 62 -28.628 16.726 6.747 1.00 0.00 H new ATOM 0 HG1 THR A 62 -28.172 17.218 8.977 1.00 0.00 H new ATOM 0 HG21 THR A 62 -28.230 19.074 7.430 1.00 0.00 H new ATOM 0 HG22 THR A 62 -29.447 18.982 6.134 1.00 0.00 H new ATOM 0 HG23 THR A 62 -29.958 19.255 7.817 1.00 0.00 H new ATOM 908 N PRO A 63 -30.781 14.333 7.118 1.00 0.00 N ATOM 909 CA PRO A 63 -31.031 12.993 7.715 1.00 0.00 C ATOM 910 C PRO A 63 -30.735 12.962 9.212 1.00 0.00 C ATOM 911 O PRO A 63 -31.466 12.344 9.986 1.00 0.00 O ATOM 912 CB PRO A 63 -30.074 12.085 6.943 1.00 0.00 C ATOM 913 CG PRO A 63 -29.935 12.718 5.594 1.00 0.00 C ATOM 914 CD PRO A 63 -30.190 14.221 5.773 1.00 0.00 C ATOM 0 HA PRO A 63 -32.075 12.691 7.636 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -29.109 12.012 7.445 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -30.470 11.072 6.864 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -28.939 12.542 5.187 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -30.648 12.287 4.891 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -29.265 14.793 5.696 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -30.866 14.603 5.008 1.00 0.00 H new ATOM 922 N GLU A 64 -29.659 13.632 9.612 1.00 0.00 N ATOM 923 CA GLU A 64 -29.275 13.672 11.018 1.00 0.00 C ATOM 924 C GLU A 64 -30.310 14.439 11.836 1.00 0.00 C ATOM 925 O GLU A 64 -30.735 13.986 12.899 1.00 0.00 O ATOM 926 CB GLU A 64 -27.907 14.341 11.166 1.00 0.00 C ATOM 927 CG GLU A 64 -27.361 14.084 12.572 1.00 0.00 C ATOM 928 CD GLU A 64 -26.205 15.035 12.863 1.00 0.00 C ATOM 929 OE1 GLU A 64 -26.403 16.232 12.737 1.00 0.00 O ATOM 930 OE2 GLU A 64 -25.139 14.552 13.210 1.00 0.00 O ATOM 0 H GLU A 64 -29.042 14.151 8.988 1.00 0.00 H new ATOM 0 HA GLU A 64 -29.222 12.649 11.390 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -27.216 13.949 10.419 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -27.994 15.413 10.989 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -28.152 14.223 13.309 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -27.024 13.051 12.657 1.00 0.00 H new ATOM 937 N GLN A 65 -30.711 15.602 11.333 1.00 0.00 N ATOM 938 CA GLN A 65 -31.696 16.423 12.028 1.00 0.00 C ATOM 939 C GLN A 65 -32.970 15.626 12.292 1.00 0.00 C ATOM 940 O GLN A 65 -33.327 15.373 13.442 1.00 0.00 O ATOM 941 CB GLN A 65 -32.031 17.659 11.191 1.00 0.00 C ATOM 942 CG GLN A 65 -30.821 18.596 11.148 1.00 0.00 C ATOM 943 CD GLN A 65 -31.233 19.950 10.579 1.00 0.00 C ATOM 944 OE1 GLN A 65 -31.448 20.079 9.374 1.00 0.00 O ATOM 945 NE2 GLN A 65 -31.356 20.973 11.380 1.00 0.00 N ATOM 0 H GLN A 65 -30.373 15.995 10.455 1.00 0.00 H new ATOM 0 HA GLN A 65 -31.271 16.734 12.982 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -32.309 17.361 10.180 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -32.890 18.177 11.618 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -30.412 18.722 12.150 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -30.033 18.159 10.535 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -31.177 20.864 12.378 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -31.631 21.882 11.008 1.00 0.00 H new ATOM 954 N MET A 66 -33.650 15.234 11.219 1.00 0.00 N ATOM 955 CA MET A 66 -34.884 14.468 11.348 1.00 0.00 C ATOM 956 C MET A 66 -34.653 13.210 12.179 1.00 0.00 C ATOM 957 O MET A 66 -35.361 12.962 13.155 1.00 0.00 O ATOM 958 CB MET A 66 -35.408 14.083 9.961 1.00 0.00 C ATOM 959 CG MET A 66 -34.353 13.257 9.220 1.00 0.00 C ATOM 960 SD MET A 66 -34.651 13.359 7.438 1.00 0.00 S ATOM 961 CE MET A 66 -35.753 11.929 7.312 1.00 0.00 C ATOM 0 H MET A 66 -33.370 15.432 10.258 1.00 0.00 H new ATOM 0 HA MET A 66 -35.623 15.089 11.854 1.00 0.00 H new ATOM 0 HB2 MET A 66 -36.331 13.510 10.057 1.00 0.00 H new ATOM 0 HB3 MET A 66 -35.647 14.980 9.390 1.00 0.00 H new ATOM 0 HG2 MET A 66 -33.355 13.627 9.455 1.00 0.00 H new ATOM 0 HG3 MET A 66 -34.393 12.218 9.548 1.00 0.00 H new ATOM 0 HE1 MET A 66 -36.067 11.802 6.276 1.00 0.00 H new ATOM 0 HE2 MET A 66 -35.227 11.034 7.645 1.00 0.00 H new ATOM 0 HE3 MET A 66 -36.630 12.089 7.939 1.00 0.00 H new ATOM 971 N ALA A 67 -33.658 12.420 11.789 1.00 0.00 N ATOM 972 CA ALA A 67 -33.347 11.189 12.508 1.00 0.00 C ATOM 973 C ALA A 67 -33.328 11.439 14.013 1.00 0.00 C ATOM 974 O ALA A 67 -34.007 10.750 14.774 1.00 0.00 O ATOM 975 CB ALA A 67 -31.985 10.653 12.062 1.00 0.00 C ATOM 0 H ALA A 67 -33.058 12.607 10.986 1.00 0.00 H new ATOM 0 HA ALA A 67 -34.119 10.453 12.282 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -31.761 9.734 12.604 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -32.008 10.447 10.992 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -31.215 11.395 12.272 1.00 0.00 H new ATOM 981 N LYS A 68 -32.544 12.426 14.435 1.00 0.00 N ATOM 982 CA LYS A 68 -32.445 12.757 15.852 1.00 0.00 C ATOM 983 C LYS A 68 -33.805 13.173 16.402 1.00 0.00 C ATOM 984 O LYS A 68 -34.340 12.535 17.308 1.00 0.00 O ATOM 985 CB LYS A 68 -31.439 13.895 16.053 1.00 0.00 C ATOM 986 CG LYS A 68 -30.982 13.932 17.519 1.00 0.00 C ATOM 987 CD LYS A 68 -29.771 13.013 17.708 1.00 0.00 C ATOM 988 CE LYS A 68 -29.578 12.719 19.197 1.00 0.00 C ATOM 989 NZ LYS A 68 -30.609 11.744 19.649 1.00 0.00 N ATOM 0 H LYS A 68 -31.972 13.006 13.821 1.00 0.00 H new ATOM 0 HA LYS A 68 -32.105 11.872 16.390 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -30.579 13.753 15.398 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -31.894 14.847 15.780 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -30.724 14.952 17.803 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -31.796 13.615 18.171 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -29.918 12.083 17.159 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -28.877 13.485 17.301 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -28.580 12.317 19.373 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -29.656 13.641 19.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -30.294 11.289 20.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -31.507 12.241 19.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -30.747 11.020 18.916 1.00 0.00 H new ATOM 1003 N GLU A 69 -34.359 14.246 15.846 1.00 0.00 N ATOM 1004 CA GLU A 69 -35.658 14.739 16.289 1.00 0.00 C ATOM 1005 C GLU A 69 -36.651 13.589 16.420 1.00 0.00 C ATOM 1006 O GLU A 69 -37.257 13.396 17.475 1.00 0.00 O ATOM 1007 CB GLU A 69 -36.193 15.767 15.291 1.00 0.00 C ATOM 1008 CG GLU A 69 -35.392 17.064 15.414 1.00 0.00 C ATOM 1009 CD GLU A 69 -35.794 17.808 16.683 1.00 0.00 C ATOM 1010 OE1 GLU A 69 -36.846 18.426 16.675 1.00 0.00 O ATOM 1011 OE2 GLU A 69 -35.045 17.748 17.644 1.00 0.00 O ATOM 0 H GLU A 69 -33.933 14.787 15.094 1.00 0.00 H new ATOM 0 HA GLU A 69 -35.535 15.210 17.264 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -36.119 15.377 14.276 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -37.249 15.960 15.482 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -34.325 16.841 15.436 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -35.568 17.694 14.542 1.00 0.00 H new ATOM 1018 N MET A 70 -36.813 12.827 15.344 1.00 0.00 N ATOM 1019 CA MET A 70 -37.735 11.697 15.351 1.00 0.00 C ATOM 1020 C MET A 70 -37.476 10.806 16.561 1.00 0.00 C ATOM 1021 O MET A 70 -38.370 10.574 17.376 1.00 0.00 O ATOM 1022 CB MET A 70 -37.569 10.881 14.064 1.00 0.00 C ATOM 1023 CG MET A 70 -38.341 11.550 12.921 1.00 0.00 C ATOM 1024 SD MET A 70 -38.019 13.331 12.930 1.00 0.00 S ATOM 1025 CE MET A 70 -39.086 13.762 11.533 1.00 0.00 C ATOM 0 H MET A 70 -36.322 12.969 14.462 1.00 0.00 H new ATOM 0 HA MET A 70 -38.754 12.080 15.408 1.00 0.00 H new ATOM 0 HB2 MET A 70 -36.513 10.804 13.805 1.00 0.00 H new ATOM 0 HB3 MET A 70 -37.935 9.866 14.217 1.00 0.00 H new ATOM 0 HG2 MET A 70 -38.040 11.121 11.965 1.00 0.00 H new ATOM 0 HG3 MET A 70 -39.409 11.363 13.032 1.00 0.00 H new ATOM 0 HE1 MET A 70 -39.040 14.837 11.358 1.00 0.00 H new ATOM 0 HE2 MET A 70 -38.749 13.234 10.641 1.00 0.00 H new ATOM 0 HE3 MET A 70 -40.113 13.475 11.758 1.00 0.00 H new ATOM 1035 N SER A 71 -36.249 10.309 16.672 1.00 0.00 N ATOM 1036 CA SER A 71 -35.883 9.443 17.788 1.00 0.00 C ATOM 1037 C SER A 71 -36.182 10.126 19.118 1.00 0.00 C ATOM 1038 O SER A 71 -36.424 9.463 20.127 1.00 0.00 O ATOM 1039 CB SER A 71 -34.396 9.096 17.712 1.00 0.00 C ATOM 1040 OG SER A 71 -34.181 8.191 16.638 1.00 0.00 O ATOM 0 H SER A 71 -35.496 10.489 16.008 1.00 0.00 H new ATOM 0 HA SER A 71 -36.473 8.529 17.723 1.00 0.00 H new ATOM 0 HB2 SER A 71 -33.806 10.001 17.564 1.00 0.00 H new ATOM 0 HB3 SER A 71 -34.066 8.650 18.650 1.00 0.00 H new ATOM 0 HG SER A 71 -34.090 8.692 15.801 1.00 0.00 H new ATOM 1046 N GLU A 72 -36.164 11.455 19.115 1.00 0.00 N ATOM 1047 CA GLU A 72 -36.434 12.216 20.329 1.00 0.00 C ATOM 1048 C GLU A 72 -37.933 12.268 20.608 1.00 0.00 C ATOM 1049 O GLU A 72 -38.361 12.249 21.762 1.00 0.00 O ATOM 1050 CB GLU A 72 -35.888 13.639 20.189 1.00 0.00 C ATOM 1051 CG GLU A 72 -35.798 14.292 21.570 1.00 0.00 C ATOM 1052 CD GLU A 72 -35.593 15.795 21.424 1.00 0.00 C ATOM 1053 OE1 GLU A 72 -34.754 16.184 20.629 1.00 0.00 O ATOM 1054 OE2 GLU A 72 -36.277 16.535 22.110 1.00 0.00 O ATOM 0 H GLU A 72 -35.967 12.024 18.292 1.00 0.00 H new ATOM 0 HA GLU A 72 -35.938 11.719 21.163 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -34.904 13.617 19.721 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -36.537 14.226 19.539 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -36.709 14.094 22.135 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -34.973 13.857 22.134 1.00 0.00 H new ATOM 1061 N PHE A 73 -38.726 12.333 19.543 1.00 0.00 N ATOM 1062 CA PHE A 73 -40.177 12.386 19.686 1.00 0.00 C ATOM 1063 C PHE A 73 -40.727 11.017 20.070 1.00 0.00 C ATOM 1064 O PHE A 73 -41.668 10.912 20.857 1.00 0.00 O ATOM 1065 CB PHE A 73 -40.815 12.846 18.374 1.00 0.00 C ATOM 1066 CG PHE A 73 -42.246 13.260 18.625 1.00 0.00 C ATOM 1067 CD1 PHE A 73 -42.542 14.584 18.969 1.00 0.00 C ATOM 1068 CD2 PHE A 73 -43.276 12.319 18.512 1.00 0.00 C ATOM 1069 CE1 PHE A 73 -43.869 14.967 19.201 1.00 0.00 C ATOM 1070 CE2 PHE A 73 -44.603 12.702 18.744 1.00 0.00 C ATOM 1071 CZ PHE A 73 -44.899 14.026 19.088 1.00 0.00 C ATOM 0 H PHE A 73 -38.392 12.350 18.579 1.00 0.00 H new ATOM 0 HA PHE A 73 -40.420 13.097 20.476 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -40.252 13.681 17.957 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -40.782 12.041 17.640 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -41.747 15.310 19.056 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -43.047 11.298 18.246 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -44.098 15.988 19.467 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -45.398 11.976 18.657 1.00 0.00 H new ATOM 0 HZ PHE A 73 -45.922 14.322 19.266 1.00 0.00 H new ATOM 1081 N LEU A 74 -40.131 9.969 19.510 1.00 0.00 N ATOM 1082 CA LEU A 74 -40.568 8.608 19.802 1.00 0.00 C ATOM 1083 C LEU A 74 -40.142 8.201 21.209 1.00 0.00 C ATOM 1084 O LEU A 74 -40.535 7.146 21.707 1.00 0.00 O ATOM 1085 CB LEU A 74 -39.968 7.634 18.784 1.00 0.00 C ATOM 1086 CG LEU A 74 -40.341 8.071 17.363 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -39.404 7.396 16.359 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -41.787 7.668 17.057 1.00 0.00 C ATOM 0 H LEU A 74 -39.350 10.034 18.857 1.00 0.00 H new ATOM 0 HA LEU A 74 -41.656 8.574 19.738 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -38.884 7.603 18.892 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -40.336 6.625 18.972 1.00 0.00 H new ATOM 0 HG LEU A 74 -40.244 9.154 17.285 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -39.669 7.707 15.348 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -38.375 7.686 16.570 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -39.500 6.313 16.443 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -42.046 7.981 16.046 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -41.888 6.586 17.139 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -42.457 8.150 17.769 1.00 0.00 H new ATOM 1100 N SER A 75 -39.335 9.046 21.844 1.00 0.00 N ATOM 1101 CA SER A 75 -38.857 8.767 23.196 1.00 0.00 C ATOM 1102 C SER A 75 -38.858 10.041 24.036 1.00 0.00 C ATOM 1103 O SER A 75 -37.918 10.834 23.977 1.00 0.00 O ATOM 1104 CB SER A 75 -37.442 8.192 23.140 1.00 0.00 C ATOM 1105 OG SER A 75 -37.063 7.754 24.438 1.00 0.00 O ATOM 0 H SER A 75 -39.000 9.924 21.448 1.00 0.00 H new ATOM 0 HA SER A 75 -39.526 8.040 23.657 1.00 0.00 H new ATOM 0 HB2 SER A 75 -37.402 7.360 22.437 1.00 0.00 H new ATOM 0 HB3 SER A 75 -36.744 8.948 22.780 1.00 0.00 H new ATOM 0 HG SER A 75 -36.156 7.383 24.406 1.00 0.00 H new ATOM 1111 N ARG A 76 -39.916 10.228 24.817 1.00 0.00 N ATOM 1112 CA ARG A 76 -40.029 11.408 25.666 1.00 0.00 C ATOM 1113 C ARG A 76 -39.252 11.208 26.964 1.00 0.00 C ATOM 1114 O ARG A 76 -38.069 11.536 27.046 1.00 0.00 O ATOM 1115 CB ARG A 76 -41.503 11.686 25.989 1.00 0.00 C ATOM 1116 CG ARG A 76 -42.235 12.184 24.732 1.00 0.00 C ATOM 1117 CD ARG A 76 -42.814 10.995 23.956 1.00 0.00 C ATOM 1118 NE ARG A 76 -44.114 10.622 24.501 1.00 0.00 N ATOM 1119 CZ ARG A 76 -44.985 9.923 23.781 1.00 0.00 C ATOM 1120 NH1 ARG A 76 -44.682 9.558 22.565 1.00 0.00 N ATOM 1121 NH2 ARG A 76 -46.144 9.601 24.289 1.00 0.00 N ATOM 0 H ARG A 76 -40.703 9.582 24.880 1.00 0.00 H new ATOM 0 HA ARG A 76 -39.610 12.259 25.129 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -41.979 10.779 26.361 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -41.575 12.432 26.781 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -43.035 12.869 25.014 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -41.547 12.742 24.098 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -42.914 11.254 22.902 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -42.131 10.147 24.013 1.00 0.00 H new ATOM 0 HE ARG A 76 -44.359 10.902 25.451 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -43.777 9.809 22.168 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -45.350 9.021 22.012 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -46.381 9.886 25.239 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -46.812 9.064 23.736 1.00 0.00 H new ATOM 1135 N GLY A 77 -39.925 10.668 27.974 1.00 0.00 N ATOM 1136 CA GLY A 77 -39.286 10.429 29.263 1.00 0.00 C ATOM 1137 C GLY A 77 -39.196 11.717 30.075 1.00 0.00 C ATOM 1138 O GLY A 77 -39.654 12.772 29.636 1.00 0.00 O ATOM 0 H GLY A 77 -40.905 10.389 27.927 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -39.851 9.682 29.820 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -38.287 10.022 29.108 1.00 0.00 H new ATOM 1142 N PRO A 78 -38.619 11.645 31.243 1.00 0.00 N ATOM 1143 CA PRO A 78 -38.463 12.826 32.141 1.00 0.00 C ATOM 1144 C PRO A 78 -37.375 13.779 31.652 1.00 0.00 C ATOM 1145 O PRO A 78 -36.724 14.456 32.448 1.00 0.00 O ATOM 1146 CB PRO A 78 -38.089 12.204 33.489 1.00 0.00 C ATOM 1147 CG PRO A 78 -37.422 10.910 33.151 1.00 0.00 C ATOM 1148 CD PRO A 78 -38.047 10.425 31.839 1.00 0.00 C ATOM 0 HA PRO A 78 -39.366 13.434 32.185 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -37.421 12.856 34.052 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -38.972 12.042 34.107 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -36.346 11.046 33.041 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -37.571 10.178 33.945 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -37.301 9.973 31.185 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -38.814 9.671 32.017 1.00 0.00 H new ATOM 1156 N ALA A 79 -37.183 13.825 30.338 1.00 0.00 N ATOM 1157 CA ALA A 79 -36.172 14.699 29.753 1.00 0.00 C ATOM 1158 C ALA A 79 -36.358 14.800 28.243 1.00 0.00 C ATOM 1159 O ALA A 79 -35.615 14.147 27.528 1.00 0.00 O ATOM 1160 CB ALA A 79 -34.775 14.157 30.061 1.00 0.00 C ATOM 1161 OXT ALA A 79 -37.243 15.527 27.822 1.00 0.00 O ATOM 0 H ALA A 79 -37.710 13.272 29.662 1.00 0.00 H new ATOM 0 HA ALA A 79 -36.282 15.693 30.188 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -34.025 14.814 29.621 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -34.631 14.113 31.141 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -34.672 13.157 29.641 1.00 0.00 H new TER 1167 ALA A 79