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 62 THR OG1 : rot -96:sc= -1 USER MOD Set 1.2: A 65 GLN : amide:sc= -1.73 K(o=-2.7,f=-2.1) USER MOD Single : A 6 GLN : amide:sc=-0.00616 X(o=-0.0062,f=0) USER MOD Single : A 7 GLN : amide:sc= -0.537 X(o=-0.54,f=-0.068) USER MOD Single : A 8 GLN : amide:sc= -2.89! K(o=-2.9!,f=-0.33) USER MOD Single : A 13 GLN : amide:sc= -1.31 K(o=-1.3,f=-0.17) USER MOD Single : A 26 GLN : amide:sc= -0.183 K(o=-0.18,f=-0.82) USER MOD Single : A 27 SER OG : rot 180:sc= -0.56 USER MOD Single : A 33 SER OG : rot 180:sc= -1.48! USER MOD Single : A 37 GLN : amide:sc= -1.64 K(o=-1.6,f=-7.5!) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.1! USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 91:sc= 0.999 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.0584 USER MOD Single : A 60 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0903) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 162:sc=-0.00653 (180deg=-0.155) USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -55:sc= 0.925 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 6 2.538 -10.623 12.204 1.00 0.00 N ATOM 2 CA GLN A 6 1.597 -9.521 12.365 1.00 0.00 C ATOM 3 C GLN A 6 2.308 -8.282 12.900 1.00 0.00 C ATOM 4 O GLN A 6 1.877 -7.154 12.661 1.00 0.00 O ATOM 5 CB GLN A 6 0.479 -9.925 13.328 1.00 0.00 C ATOM 6 CG GLN A 6 1.083 -10.294 14.685 1.00 0.00 C ATOM 7 CD GLN A 6 0.040 -10.998 15.546 1.00 0.00 C ATOM 8 OE1 GLN A 6 0.312 -12.058 16.111 1.00 0.00 O ATOM 9 NE2 GLN A 6 -1.146 -10.470 15.681 1.00 0.00 N ATOM 0 HA GLN A 6 1.170 -9.288 11.390 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -0.229 -9.105 13.444 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -0.076 -10.771 12.923 1.00 0.00 H new ATOM 0 HG2 GLN A 6 1.947 -10.943 14.543 1.00 0.00 H new ATOM 0 HG3 GLN A 6 1.438 -9.396 15.191 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -1.370 -9.592 15.212 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -1.849 -10.935 16.255 1.00 0.00 H new ATOM 18 N GLN A 7 3.401 -8.501 13.624 1.00 0.00 N ATOM 19 CA GLN A 7 4.164 -7.394 14.187 1.00 0.00 C ATOM 20 C GLN A 7 4.401 -6.318 13.133 1.00 0.00 C ATOM 21 O GLN A 7 3.980 -5.174 13.294 1.00 0.00 O ATOM 22 CB GLN A 7 5.508 -7.900 14.715 1.00 0.00 C ATOM 23 CG GLN A 7 5.272 -8.928 15.825 1.00 0.00 C ATOM 24 CD GLN A 7 6.528 -9.071 16.677 1.00 0.00 C ATOM 25 OE1 GLN A 7 6.955 -10.187 16.974 1.00 0.00 O ATOM 26 NE2 GLN A 7 7.150 -8.001 17.092 1.00 0.00 N ATOM 0 H GLN A 7 3.775 -9.426 13.833 1.00 0.00 H new ATOM 0 HA GLN A 7 3.592 -6.963 15.008 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.082 -8.350 13.905 1.00 0.00 H new ATOM 0 HB3 GLN A 7 6.097 -7.066 15.097 1.00 0.00 H new ATOM 0 HG2 GLN A 7 4.433 -8.617 16.448 1.00 0.00 H new ATOM 0 HG3 GLN A 7 5.006 -9.891 15.390 1.00 0.00 H new ATOM 0 HE21 GLN A 7 6.795 -7.077 16.845 1.00 0.00 H new ATOM 0 HE22 GLN A 7 7.991 -8.089 17.663 1.00 0.00 H new ATOM 35 N GLN A 8 5.079 -6.692 12.054 1.00 0.00 N ATOM 36 CA GLN A 8 5.367 -5.748 10.980 1.00 0.00 C ATOM 37 C GLN A 8 4.113 -4.968 10.597 1.00 0.00 C ATOM 38 O GLN A 8 4.193 -3.816 10.170 1.00 0.00 O ATOM 39 CB GLN A 8 5.901 -6.495 9.756 1.00 0.00 C ATOM 40 CG GLN A 8 7.162 -7.275 10.138 1.00 0.00 C ATOM 41 CD GLN A 8 8.358 -6.333 10.223 1.00 0.00 C ATOM 42 OE1 GLN A 8 9.491 -6.782 10.393 1.00 0.00 O ATOM 43 NE2 GLN A 8 8.173 -5.046 10.114 1.00 0.00 N ATOM 0 H GLN A 8 5.437 -7.634 11.900 1.00 0.00 H new ATOM 0 HA GLN A 8 6.122 -5.046 11.334 1.00 0.00 H new ATOM 0 HB2 GLN A 8 5.141 -7.177 9.374 1.00 0.00 H new ATOM 0 HB3 GLN A 8 6.126 -5.789 8.957 1.00 0.00 H new ATOM 0 HG2 GLN A 8 7.014 -7.774 11.096 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.355 -8.053 9.400 1.00 0.00 H new ATOM 0 HE21 GLN A 8 7.233 -4.676 9.973 1.00 0.00 H new ATOM 0 HE22 GLN A 8 8.968 -4.410 10.170 1.00 0.00 H new ATOM 52 N ALA A 9 2.955 -5.603 10.750 1.00 0.00 N ATOM 53 CA ALA A 9 1.691 -4.956 10.413 1.00 0.00 C ATOM 54 C ALA A 9 1.346 -3.882 11.440 1.00 0.00 C ATOM 55 O ALA A 9 1.263 -2.699 11.110 1.00 0.00 O ATOM 56 CB ALA A 9 0.569 -5.995 10.358 1.00 0.00 C ATOM 0 H ALA A 9 2.865 -6.556 11.102 1.00 0.00 H new ATOM 0 HA ALA A 9 1.796 -4.485 9.436 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.370 -5.503 10.106 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.802 -6.742 9.600 1.00 0.00 H new ATOM 0 HB3 ALA A 9 0.475 -6.481 11.329 1.00 0.00 H new ATOM 62 N VAL A 10 1.145 -4.301 12.686 1.00 0.00 N ATOM 63 CA VAL A 10 0.806 -3.362 13.750 1.00 0.00 C ATOM 64 C VAL A 10 1.938 -2.358 13.958 1.00 0.00 C ATOM 65 O VAL A 10 1.699 -1.208 14.326 1.00 0.00 O ATOM 66 CB VAL A 10 0.534 -4.120 15.051 1.00 0.00 C ATOM 67 CG1 VAL A 10 1.666 -5.114 15.316 1.00 0.00 C ATOM 68 CG2 VAL A 10 0.441 -3.130 16.216 1.00 0.00 C ATOM 0 H VAL A 10 1.210 -5.275 12.982 1.00 0.00 H new ATOM 0 HA VAL A 10 -0.093 -2.818 13.459 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.408 -4.661 14.959 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.468 -5.652 16.243 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.728 -5.824 14.491 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.610 -4.576 15.403 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.247 -3.674 17.141 1.00 0.00 H new ATOM 0 HG22 VAL A 10 1.380 -2.584 16.306 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.371 -2.426 16.032 1.00 0.00 H new ATOM 78 N LEU A 11 3.169 -2.797 13.718 1.00 0.00 N ATOM 79 CA LEU A 11 4.325 -1.921 13.881 1.00 0.00 C ATOM 80 C LEU A 11 4.321 -0.835 12.809 1.00 0.00 C ATOM 81 O LEU A 11 4.426 0.354 13.115 1.00 0.00 O ATOM 82 CB LEU A 11 5.622 -2.730 13.779 1.00 0.00 C ATOM 83 CG LEU A 11 5.799 -3.604 15.027 1.00 0.00 C ATOM 84 CD1 LEU A 11 7.018 -4.509 14.837 1.00 0.00 C ATOM 85 CD2 LEU A 11 6.008 -2.719 16.265 1.00 0.00 C ATOM 0 H LEU A 11 3.392 -3.744 13.413 1.00 0.00 H new ATOM 0 HA LEU A 11 4.267 -1.456 14.865 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.600 -3.356 12.887 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.472 -2.056 13.674 1.00 0.00 H new ATOM 0 HG LEU A 11 4.905 -4.211 15.171 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.149 -5.133 15.721 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.867 -5.144 13.964 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.907 -3.896 14.691 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.133 -3.349 17.146 1.00 0.00 H new ATOM 0 HD22 LEU A 11 6.899 -2.106 16.128 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.141 -2.073 16.401 1.00 0.00 H new ATOM 97 N GLU A 12 4.198 -1.252 11.554 1.00 0.00 N ATOM 98 CA GLU A 12 4.182 -0.309 10.442 1.00 0.00 C ATOM 99 C GLU A 12 2.967 0.611 10.536 1.00 0.00 C ATOM 100 O GLU A 12 3.037 1.787 10.182 1.00 0.00 O ATOM 101 CB GLU A 12 4.147 -1.068 9.114 1.00 0.00 C ATOM 102 CG GLU A 12 5.515 -1.704 8.852 1.00 0.00 C ATOM 103 CD GLU A 12 6.522 -0.630 8.455 1.00 0.00 C ATOM 104 OE1 GLU A 12 6.337 -0.031 7.408 1.00 0.00 O ATOM 105 OE2 GLU A 12 7.463 -0.423 9.203 1.00 0.00 O ATOM 0 H GLU A 12 4.108 -2.231 11.282 1.00 0.00 H new ATOM 0 HA GLU A 12 5.087 0.296 10.491 1.00 0.00 H new ATOM 0 HB2 GLU A 12 3.376 -1.838 9.143 1.00 0.00 H new ATOM 0 HB3 GLU A 12 3.888 -0.389 8.302 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.860 -2.225 9.745 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.433 -2.448 8.060 1.00 0.00 H new ATOM 112 N GLN A 13 1.854 0.064 11.014 1.00 0.00 N ATOM 113 CA GLN A 13 0.627 0.841 11.147 1.00 0.00 C ATOM 114 C GLN A 13 0.758 1.863 12.271 1.00 0.00 C ATOM 115 O GLN A 13 0.293 2.997 12.148 1.00 0.00 O ATOM 116 CB GLN A 13 -0.552 -0.095 11.434 1.00 0.00 C ATOM 117 CG GLN A 13 -1.838 0.722 11.606 1.00 0.00 C ATOM 118 CD GLN A 13 -2.093 1.572 10.365 1.00 0.00 C ATOM 119 OE1 GLN A 13 -2.111 1.053 9.249 1.00 0.00 O ATOM 120 NE2 GLN A 13 -2.292 2.854 10.495 1.00 0.00 N ATOM 0 H GLN A 13 1.776 -0.908 11.314 1.00 0.00 H new ATOM 0 HA GLN A 13 0.450 1.372 10.212 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.670 -0.807 10.617 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.356 -0.675 12.336 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.682 0.054 11.777 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.756 1.363 12.484 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -2.277 3.281 11.421 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.463 3.430 9.671 1.00 0.00 H new ATOM 129 N GLU A 14 1.392 1.458 13.366 1.00 0.00 N ATOM 130 CA GLU A 14 1.574 2.351 14.504 1.00 0.00 C ATOM 131 C GLU A 14 2.497 3.507 14.135 1.00 0.00 C ATOM 132 O GLU A 14 2.114 4.674 14.226 1.00 0.00 O ATOM 133 CB GLU A 14 2.163 1.578 15.688 1.00 0.00 C ATOM 134 CG GLU A 14 1.059 0.768 16.374 1.00 0.00 C ATOM 135 CD GLU A 14 1.676 -0.291 17.280 1.00 0.00 C ATOM 136 OE1 GLU A 14 2.893 -0.376 17.316 1.00 0.00 O ATOM 137 OE2 GLU A 14 0.924 -1.002 17.926 1.00 0.00 O ATOM 0 H GLU A 14 1.786 0.525 13.489 1.00 0.00 H new ATOM 0 HA GLU A 14 0.601 2.755 14.785 1.00 0.00 H new ATOM 0 HB2 GLU A 14 2.955 0.913 15.343 1.00 0.00 H new ATOM 0 HB3 GLU A 14 2.615 2.270 16.398 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.420 1.430 16.958 1.00 0.00 H new ATOM 0 HG3 GLU A 14 0.426 0.293 15.625 1.00 0.00 H new ATOM 144 N ARG A 15 3.715 3.177 13.718 1.00 0.00 N ATOM 145 CA ARG A 15 4.681 4.202 13.338 1.00 0.00 C ATOM 146 C ARG A 15 4.116 5.077 12.223 1.00 0.00 C ATOM 147 O ARG A 15 4.223 6.302 12.269 1.00 0.00 O ATOM 148 CB ARG A 15 5.987 3.551 12.877 1.00 0.00 C ATOM 149 CG ARG A 15 5.779 2.886 11.516 1.00 0.00 C ATOM 150 CD ARG A 15 6.949 1.946 11.223 1.00 0.00 C ATOM 151 NE ARG A 15 8.212 2.593 11.556 1.00 0.00 N ATOM 152 CZ ARG A 15 9.358 2.176 11.028 1.00 0.00 C ATOM 153 NH1 ARG A 15 9.366 1.170 10.196 1.00 0.00 N ATOM 154 NH2 ARG A 15 10.476 2.773 11.341 1.00 0.00 N ATOM 0 H ARG A 15 4.054 2.219 13.635 1.00 0.00 H new ATOM 0 HA ARG A 15 4.883 4.827 14.208 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.775 4.302 12.809 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.314 2.811 13.608 1.00 0.00 H new ATOM 0 HG2 ARG A 15 4.842 2.330 11.511 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.704 3.644 10.737 1.00 0.00 H new ATOM 0 HD2 ARG A 15 6.840 1.027 11.800 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.943 1.664 10.170 1.00 0.00 H new ATOM 0 HE ARG A 15 8.216 3.379 12.206 1.00 0.00 H new ATOM 0 HH11 ARG A 15 8.492 0.704 9.951 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.246 0.850 9.791 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.470 3.559 11.991 1.00 0.00 H new ATOM 0 HH22 ARG A 15 11.356 2.453 10.936 1.00 0.00 H new ATOM 168 N ARG A 16 3.510 4.440 11.225 1.00 0.00 N ATOM 169 CA ARG A 16 2.930 5.176 10.109 1.00 0.00 C ATOM 170 C ARG A 16 1.796 6.072 10.597 1.00 0.00 C ATOM 171 O ARG A 16 1.767 7.268 10.307 1.00 0.00 O ATOM 172 CB ARG A 16 2.396 4.199 9.059 1.00 0.00 C ATOM 173 CG ARG A 16 1.771 4.983 7.903 1.00 0.00 C ATOM 174 CD ARG A 16 1.548 4.048 6.714 1.00 0.00 C ATOM 175 NE ARG A 16 2.828 3.633 6.151 1.00 0.00 N ATOM 176 CZ ARG A 16 2.891 2.718 5.189 1.00 0.00 C ATOM 177 NH1 ARG A 16 1.797 2.173 4.732 1.00 0.00 N ATOM 178 NH2 ARG A 16 4.049 2.363 4.702 1.00 0.00 N ATOM 0 H ARG A 16 3.409 3.427 11.167 1.00 0.00 H new ATOM 0 HA ARG A 16 3.706 5.798 9.662 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.204 3.568 8.689 1.00 0.00 H new ATOM 0 HB3 ARG A 16 1.654 3.537 9.506 1.00 0.00 H new ATOM 0 HG2 ARG A 16 0.824 5.421 8.217 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.423 5.807 7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.982 3.173 7.032 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.954 4.553 5.952 1.00 0.00 H new ATOM 0 HE ARG A 16 3.689 4.052 6.501 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.892 2.449 5.113 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.847 1.471 3.994 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.905 2.788 5.060 1.00 0.00 H new ATOM 0 HH22 ARG A 16 4.098 1.661 3.964 1.00 0.00 H new ATOM 192 N ASP A 17 0.867 5.485 11.345 1.00 0.00 N ATOM 193 CA ASP A 17 -0.262 6.241 11.872 1.00 0.00 C ATOM 194 C ASP A 17 0.222 7.526 12.537 1.00 0.00 C ATOM 195 O ASP A 17 -0.301 8.608 12.273 1.00 0.00 O ATOM 196 CB ASP A 17 -1.030 5.395 12.890 1.00 0.00 C ATOM 197 CG ASP A 17 -2.136 6.226 13.531 1.00 0.00 C ATOM 198 OD1 ASP A 17 -2.341 7.345 13.091 1.00 0.00 O ATOM 199 OD2 ASP A 17 -2.762 5.730 14.454 1.00 0.00 O ATOM 0 H ASP A 17 0.873 4.497 11.598 1.00 0.00 H new ATOM 0 HA ASP A 17 -0.923 6.498 11.044 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -1.459 4.521 12.399 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -0.349 5.028 13.657 1.00 0.00 H new ATOM 204 N ARG A 18 1.226 7.397 13.398 1.00 0.00 N ATOM 205 CA ARG A 18 1.774 8.556 14.095 1.00 0.00 C ATOM 206 C ARG A 18 2.338 9.562 13.096 1.00 0.00 C ATOM 207 O ARG A 18 2.001 10.746 13.137 1.00 0.00 O ATOM 208 CB ARG A 18 2.882 8.112 15.055 1.00 0.00 C ATOM 209 CG ARG A 18 2.267 7.387 16.260 1.00 0.00 C ATOM 210 CD ARG A 18 1.910 8.401 17.350 1.00 0.00 C ATOM 211 NE ARG A 18 1.314 7.722 18.494 1.00 0.00 N ATOM 212 CZ ARG A 18 1.189 8.332 19.667 1.00 0.00 C ATOM 213 NH1 ARG A 18 1.602 9.562 19.810 1.00 0.00 N ATOM 214 NH2 ARG A 18 0.651 7.704 20.677 1.00 0.00 N ATOM 0 H ARG A 18 1.674 6.510 13.629 1.00 0.00 H new ATOM 0 HA ARG A 18 0.972 9.031 14.660 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.580 7.452 14.539 1.00 0.00 H new ATOM 0 HB3 ARG A 18 3.452 8.978 15.392 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.375 6.842 15.951 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.970 6.652 16.651 1.00 0.00 H new ATOM 0 HD2 ARG A 18 2.805 8.939 17.663 1.00 0.00 H new ATOM 0 HD3 ARG A 18 1.215 9.141 16.954 1.00 0.00 H new ATOM 0 HE ARG A 18 0.987 6.761 18.392 1.00 0.00 H new ATOM 0 HH11 ARG A 18 2.021 10.054 19.021 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.506 10.031 20.711 1.00 0.00 H new ATOM 0 HH21 ARG A 18 0.326 6.744 20.566 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.556 8.174 21.577 1.00 0.00 H new ATOM 228 N GLU A 19 3.195 9.083 12.200 1.00 0.00 N ATOM 229 CA GLU A 19 3.798 9.952 11.194 1.00 0.00 C ATOM 230 C GLU A 19 2.740 10.841 10.549 1.00 0.00 C ATOM 231 O GLU A 19 2.836 12.068 10.595 1.00 0.00 O ATOM 232 CB GLU A 19 4.484 9.107 10.118 1.00 0.00 C ATOM 233 CG GLU A 19 5.783 8.523 10.675 1.00 0.00 C ATOM 234 CD GLU A 19 6.847 9.612 10.767 1.00 0.00 C ATOM 235 OE1 GLU A 19 6.585 10.709 10.301 1.00 0.00 O ATOM 236 OE2 GLU A 19 7.907 9.334 11.302 1.00 0.00 O ATOM 0 H GLU A 19 3.486 8.107 12.149 1.00 0.00 H new ATOM 0 HA GLU A 19 4.537 10.586 11.684 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.822 8.304 9.795 1.00 0.00 H new ATOM 0 HB3 GLU A 19 4.695 9.719 9.241 1.00 0.00 H new ATOM 0 HG2 GLU A 19 5.605 8.093 11.661 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.133 7.715 10.033 1.00 0.00 H new ATOM 243 N LEU A 20 1.731 10.217 9.951 1.00 0.00 N ATOM 244 CA LEU A 20 0.662 10.966 9.301 1.00 0.00 C ATOM 245 C LEU A 20 -0.023 11.892 10.303 1.00 0.00 C ATOM 246 O LEU A 20 0.059 13.116 10.188 1.00 0.00 O ATOM 247 CB LEU A 20 -0.367 9.998 8.703 1.00 0.00 C ATOM 248 CG LEU A 20 0.085 9.561 7.307 1.00 0.00 C ATOM 249 CD1 LEU A 20 1.457 8.889 7.398 1.00 0.00 C ATOM 250 CD2 LEU A 20 -0.929 8.569 6.733 1.00 0.00 C ATOM 0 H LEU A 20 1.631 9.203 9.903 1.00 0.00 H new ATOM 0 HA LEU A 20 1.095 11.569 8.503 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.479 9.127 9.349 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.343 10.480 8.645 1.00 0.00 H new ATOM 0 HG LEU A 20 0.152 10.434 6.658 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.777 8.579 6.403 1.00 0.00 H new ATOM 0 HD12 LEU A 20 2.181 9.593 7.809 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.392 8.016 8.047 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.609 8.256 5.739 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.994 7.697 7.384 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.907 9.046 6.666 1.00 0.00 H new ATOM 262 N ALA A 21 -0.696 11.301 11.285 1.00 0.00 N ATOM 263 CA ALA A 21 -1.393 12.082 12.302 1.00 0.00 C ATOM 264 C ALA A 21 -0.554 13.284 12.727 1.00 0.00 C ATOM 265 O ALA A 21 -1.085 14.364 12.990 1.00 0.00 O ATOM 266 CB ALA A 21 -1.687 11.207 13.522 1.00 0.00 C ATOM 0 H ALA A 21 -0.774 10.290 11.398 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.330 12.441 11.877 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.207 11.797 14.276 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.313 10.366 13.224 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.750 10.833 13.936 1.00 0.00 H new ATOM 272 N LEU A 22 0.759 13.090 12.788 1.00 0.00 N ATOM 273 CA LEU A 22 1.663 14.166 13.179 1.00 0.00 C ATOM 274 C LEU A 22 1.674 15.259 12.117 1.00 0.00 C ATOM 275 O LEU A 22 1.465 16.433 12.419 1.00 0.00 O ATOM 276 CB LEU A 22 3.081 13.618 13.366 1.00 0.00 C ATOM 277 CG LEU A 22 3.945 14.651 14.105 1.00 0.00 C ATOM 278 CD1 LEU A 22 3.810 14.452 15.618 1.00 0.00 C ATOM 279 CD2 LEU A 22 5.412 14.473 13.702 1.00 0.00 C ATOM 0 H LEU A 22 1.219 12.205 12.574 1.00 0.00 H new ATOM 0 HA LEU A 22 1.313 14.589 14.121 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.049 12.686 13.931 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.523 13.388 12.396 1.00 0.00 H new ATOM 0 HG LEU A 22 3.610 15.654 13.839 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.425 15.187 16.138 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.768 14.579 15.910 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.142 13.448 15.884 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.025 15.206 14.226 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.742 13.468 13.966 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.514 14.618 12.626 1.00 0.00 H new ATOM 291 N ARG A 23 1.914 14.863 10.871 1.00 0.00 N ATOM 292 CA ARG A 23 1.942 15.818 9.772 1.00 0.00 C ATOM 293 C ARG A 23 0.659 16.639 9.756 1.00 0.00 C ATOM 294 O ARG A 23 0.691 17.868 9.833 1.00 0.00 O ATOM 295 CB ARG A 23 2.095 15.079 8.441 1.00 0.00 C ATOM 296 CG ARG A 23 3.570 14.744 8.203 1.00 0.00 C ATOM 297 CD ARG A 23 3.687 13.739 7.056 1.00 0.00 C ATOM 298 NE ARG A 23 3.073 14.277 5.849 1.00 0.00 N ATOM 299 CZ ARG A 23 3.360 13.778 4.651 1.00 0.00 C ATOM 300 NH1 ARG A 23 4.206 12.790 4.540 1.00 0.00 N ATOM 301 NH2 ARG A 23 2.796 14.276 3.584 1.00 0.00 N ATOM 0 H ARG A 23 2.090 13.896 10.600 1.00 0.00 H new ATOM 0 HA ARG A 23 2.791 16.487 9.912 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.502 14.165 8.451 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.716 15.696 7.626 1.00 0.00 H new ATOM 0 HG2 ARG A 23 4.126 15.651 7.964 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.011 14.330 9.110 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.736 13.511 6.868 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.202 12.803 7.333 1.00 0.00 H new ATOM 0 HE ARG A 23 2.412 15.050 5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.647 12.400 5.373 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.426 12.408 3.620 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.135 15.048 3.670 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.016 13.893 2.665 1.00 0.00 H new ATOM 315 N ILE A 24 -0.472 15.949 9.659 1.00 0.00 N ATOM 316 CA ILE A 24 -1.759 16.626 9.638 1.00 0.00 C ATOM 317 C ILE A 24 -1.859 17.597 10.806 1.00 0.00 C ATOM 318 O ILE A 24 -2.080 18.792 10.617 1.00 0.00 O ATOM 319 CB ILE A 24 -2.894 15.604 9.719 1.00 0.00 C ATOM 320 CG1 ILE A 24 -2.645 14.488 8.700 1.00 0.00 C ATOM 321 CG2 ILE A 24 -4.224 16.293 9.407 1.00 0.00 C ATOM 322 CD1 ILE A 24 -3.866 13.568 8.636 1.00 0.00 C ATOM 0 H ILE A 24 -0.522 14.932 9.594 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.845 17.181 8.704 1.00 0.00 H new ATOM 0 HB ILE A 24 -2.933 15.180 10.722 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.448 14.917 7.717 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -1.761 13.916 8.981 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.033 15.565 9.465 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.400 17.089 10.130 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.188 16.716 8.403 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.686 12.775 7.910 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.042 13.128 9.618 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -4.741 14.144 8.334 1.00 0.00 H new ATOM 334 N ALA A 25 -1.687 17.077 12.015 1.00 0.00 N ATOM 335 CA ALA A 25 -1.755 17.911 13.208 1.00 0.00 C ATOM 336 C ALA A 25 -0.898 19.159 13.030 1.00 0.00 C ATOM 337 O ALA A 25 -1.323 20.269 13.354 1.00 0.00 O ATOM 338 CB ALA A 25 -1.270 17.123 14.426 1.00 0.00 C ATOM 0 H ALA A 25 -1.501 16.090 12.195 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.791 18.212 13.364 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -1.324 17.754 15.313 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.901 16.245 14.566 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.239 16.807 14.268 1.00 0.00 H new ATOM 344 N GLN A 26 0.311 18.968 12.512 1.00 0.00 N ATOM 345 CA GLN A 26 1.222 20.082 12.293 1.00 0.00 C ATOM 346 C GLN A 26 0.714 20.983 11.170 1.00 0.00 C ATOM 347 O GLN A 26 1.077 22.155 11.094 1.00 0.00 O ATOM 348 CB GLN A 26 2.615 19.557 11.938 1.00 0.00 C ATOM 349 CG GLN A 26 3.230 18.868 13.158 1.00 0.00 C ATOM 350 CD GLN A 26 3.559 19.899 14.231 1.00 0.00 C ATOM 351 OE1 GLN A 26 4.076 20.974 13.924 1.00 0.00 O ATOM 352 NE2 GLN A 26 3.289 19.634 15.480 1.00 0.00 N ATOM 0 H GLN A 26 0.680 18.057 12.238 1.00 0.00 H new ATOM 0 HA GLN A 26 1.276 20.665 13.212 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.549 18.856 11.106 1.00 0.00 H new ATOM 0 HB3 GLN A 26 3.252 20.379 11.612 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.536 18.127 13.555 1.00 0.00 H new ATOM 0 HG3 GLN A 26 4.134 18.334 12.866 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.861 18.743 15.731 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.506 20.318 16.205 1.00 0.00 H new ATOM 361 N SER A 27 -0.128 20.429 10.302 1.00 0.00 N ATOM 362 CA SER A 27 -0.675 21.202 9.193 1.00 0.00 C ATOM 363 C SER A 27 -1.798 22.107 9.683 1.00 0.00 C ATOM 364 O SER A 27 -1.798 23.310 9.424 1.00 0.00 O ATOM 365 CB SER A 27 -1.203 20.266 8.107 1.00 0.00 C ATOM 366 OG SER A 27 -1.633 21.036 6.992 1.00 0.00 O ATOM 0 H SER A 27 -0.443 19.460 10.344 1.00 0.00 H new ATOM 0 HA SER A 27 0.121 21.819 8.775 1.00 0.00 H new ATOM 0 HB2 SER A 27 -0.424 19.567 7.802 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.031 19.671 8.494 1.00 0.00 H new ATOM 0 HG SER A 27 -1.971 20.438 6.293 1.00 0.00 H new ATOM 372 N GLU A 28 -2.752 21.522 10.401 1.00 0.00 N ATOM 373 CA GLU A 28 -3.869 22.292 10.930 1.00 0.00 C ATOM 374 C GLU A 28 -3.375 23.236 12.019 1.00 0.00 C ATOM 375 O GLU A 28 -3.964 24.289 12.259 1.00 0.00 O ATOM 376 CB GLU A 28 -4.933 21.353 11.511 1.00 0.00 C ATOM 377 CG GLU A 28 -4.912 20.019 10.761 1.00 0.00 C ATOM 378 CD GLU A 28 -6.290 19.365 10.811 1.00 0.00 C ATOM 379 OE1 GLU A 28 -6.630 18.824 11.851 1.00 0.00 O ATOM 380 OE2 GLU A 28 -6.984 19.415 9.810 1.00 0.00 O ATOM 0 H GLU A 28 -2.773 20.528 10.627 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.310 22.871 10.119 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.745 21.187 12.572 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.919 21.811 11.430 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.615 20.181 9.725 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.170 19.355 11.205 1.00 0.00 H new ATOM 387 N ALA A 29 -2.292 22.841 12.677 1.00 0.00 N ATOM 388 CA ALA A 29 -1.725 23.653 13.745 1.00 0.00 C ATOM 389 C ALA A 29 -0.915 24.811 13.170 1.00 0.00 C ATOM 390 O ALA A 29 -0.983 25.935 13.667 1.00 0.00 O ATOM 391 CB ALA A 29 -0.828 22.792 14.635 1.00 0.00 C ATOM 0 H ALA A 29 -1.793 21.971 12.492 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.544 24.060 14.339 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -0.408 23.407 15.431 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.416 21.985 15.072 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.020 22.370 14.037 1.00 0.00 H new ATOM 397 N GLU A 30 -0.143 24.528 12.122 1.00 0.00 N ATOM 398 CA GLU A 30 0.682 25.557 11.492 1.00 0.00 C ATOM 399 C GLU A 30 -0.107 26.299 10.417 1.00 0.00 C ATOM 400 O GLU A 30 0.181 27.456 10.111 1.00 0.00 O ATOM 401 CB GLU A 30 1.919 24.912 10.862 1.00 0.00 C ATOM 402 CG GLU A 30 2.737 24.207 11.947 1.00 0.00 C ATOM 403 CD GLU A 30 3.513 25.234 12.766 1.00 0.00 C ATOM 404 OE1 GLU A 30 4.401 25.857 12.211 1.00 0.00 O ATOM 405 OE2 GLU A 30 3.206 25.382 13.938 1.00 0.00 O ATOM 0 H GLU A 30 -0.072 23.605 11.695 1.00 0.00 H new ATOM 0 HA GLU A 30 0.987 26.271 12.257 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.619 24.197 10.096 1.00 0.00 H new ATOM 0 HB3 GLU A 30 2.527 25.671 10.369 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.076 23.635 12.598 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.427 23.497 11.490 1.00 0.00 H new ATOM 412 N LEU A 31 -1.106 25.630 9.854 1.00 0.00 N ATOM 413 CA LEU A 31 -1.933 26.237 8.817 1.00 0.00 C ATOM 414 C LEU A 31 -1.067 26.982 7.798 1.00 0.00 C ATOM 415 O LEU A 31 -1.334 28.137 7.469 1.00 0.00 O ATOM 416 CB LEU A 31 -2.937 27.202 9.461 1.00 0.00 C ATOM 417 CG LEU A 31 -4.189 26.432 9.905 1.00 0.00 C ATOM 418 CD1 LEU A 31 -4.858 27.166 11.070 1.00 0.00 C ATOM 419 CD2 LEU A 31 -5.177 26.336 8.738 1.00 0.00 C ATOM 0 H LEU A 31 -1.362 24.673 10.096 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.472 25.448 8.293 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.481 27.697 10.318 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.212 27.982 8.751 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.898 25.430 10.221 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.746 26.618 11.383 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.161 27.235 11.905 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.144 28.169 10.752 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.064 25.789 9.057 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.463 27.339 8.420 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.707 25.812 7.906 1.00 0.00 H new ATOM 431 N ILE A 32 -0.033 26.309 7.297 1.00 0.00 N ATOM 432 CA ILE A 32 0.859 26.915 6.309 1.00 0.00 C ATOM 433 C ILE A 32 0.528 26.394 4.912 1.00 0.00 C ATOM 434 O ILE A 32 -0.477 26.783 4.319 1.00 0.00 O ATOM 435 CB ILE A 32 2.320 26.595 6.649 1.00 0.00 C ATOM 436 CG1 ILE A 32 2.686 27.268 7.975 1.00 0.00 C ATOM 437 CG2 ILE A 32 3.244 27.119 5.536 1.00 0.00 C ATOM 438 CD1 ILE A 32 4.004 26.691 8.494 1.00 0.00 C ATOM 0 H ILE A 32 0.207 25.352 7.556 1.00 0.00 H new ATOM 0 HA ILE A 32 0.718 27.996 6.329 1.00 0.00 H new ATOM 0 HB ILE A 32 2.443 25.515 6.735 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.778 28.345 7.835 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.894 27.109 8.707 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.280 26.888 5.784 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.982 26.642 4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.125 28.198 5.443 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.264 27.170 9.438 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.895 25.618 8.650 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.793 26.873 7.765 1.00 0.00 H new ATOM 450 N SER A 33 1.376 25.508 4.395 1.00 0.00 N ATOM 451 CA SER A 33 1.161 24.935 3.071 1.00 0.00 C ATOM 452 C SER A 33 1.296 23.420 3.123 1.00 0.00 C ATOM 453 O SER A 33 1.316 22.750 2.090 1.00 0.00 O ATOM 454 CB SER A 33 2.173 25.510 2.081 1.00 0.00 C ATOM 455 OG SER A 33 3.426 25.677 2.730 1.00 0.00 O ATOM 0 H SER A 33 2.214 25.173 4.871 1.00 0.00 H new ATOM 0 HA SER A 33 0.154 25.189 2.741 1.00 0.00 H new ATOM 0 HB2 SER A 33 2.280 24.843 1.225 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.819 26.467 1.697 1.00 0.00 H new ATOM 0 HG SER A 33 4.077 26.044 2.096 1.00 0.00 H new ATOM 461 N ASP A 34 1.385 22.885 4.335 1.00 0.00 N ATOM 462 CA ASP A 34 1.512 21.444 4.513 1.00 0.00 C ATOM 463 C ASP A 34 0.455 20.721 3.688 1.00 0.00 C ATOM 464 O ASP A 34 0.539 19.511 3.473 1.00 0.00 O ATOM 465 CB ASP A 34 1.347 21.090 5.992 1.00 0.00 C ATOM 466 CG ASP A 34 2.637 21.387 6.748 1.00 0.00 C ATOM 467 OD1 ASP A 34 2.933 22.556 6.940 1.00 0.00 O ATOM 468 OD2 ASP A 34 3.312 20.442 7.124 1.00 0.00 O ATOM 0 H ASP A 34 1.372 23.422 5.202 1.00 0.00 H new ATOM 0 HA ASP A 34 2.500 21.130 4.176 1.00 0.00 H new ATOM 0 HB2 ASP A 34 0.525 21.662 6.421 1.00 0.00 H new ATOM 0 HB3 ASP A 34 1.090 20.036 6.095 1.00 0.00 H new ATOM 473 N GLU A 35 -0.539 21.472 3.226 1.00 0.00 N ATOM 474 CA GLU A 35 -1.610 20.899 2.423 1.00 0.00 C ATOM 475 C GLU A 35 -1.045 20.285 1.146 1.00 0.00 C ATOM 476 O GLU A 35 -1.423 19.181 0.756 1.00 0.00 O ATOM 477 CB GLU A 35 -2.632 21.982 2.068 1.00 0.00 C ATOM 478 CG GLU A 35 -2.012 22.968 1.075 1.00 0.00 C ATOM 479 CD GLU A 35 -2.858 24.234 1.001 1.00 0.00 C ATOM 480 OE1 GLU A 35 -4.036 24.156 1.309 1.00 0.00 O ATOM 481 OE2 GLU A 35 -2.316 25.266 0.639 1.00 0.00 O ATOM 0 H GLU A 35 -0.624 22.475 3.394 1.00 0.00 H new ATOM 0 HA GLU A 35 -2.101 20.117 3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.523 21.527 1.636 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.947 22.508 2.969 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.996 23.217 1.383 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -1.943 22.509 0.089 1.00 0.00 H new ATOM 488 N ALA A 36 -0.134 21.007 0.502 1.00 0.00 N ATOM 489 CA ALA A 36 0.481 20.520 -0.727 1.00 0.00 C ATOM 490 C ALA A 36 1.069 19.130 -0.507 1.00 0.00 C ATOM 491 O ALA A 36 0.839 18.215 -1.298 1.00 0.00 O ATOM 492 CB ALA A 36 1.582 21.480 -1.177 1.00 0.00 C ATOM 0 H ALA A 36 0.193 21.924 0.807 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.284 20.463 -1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.036 21.108 -2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.154 22.466 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.343 21.551 -0.400 1.00 0.00 H new ATOM 498 N GLN A 37 1.828 18.982 0.574 1.00 0.00 N ATOM 499 CA GLN A 37 2.445 17.701 0.894 1.00 0.00 C ATOM 500 C GLN A 37 1.377 16.649 1.171 1.00 0.00 C ATOM 501 O GLN A 37 1.303 15.630 0.484 1.00 0.00 O ATOM 502 CB GLN A 37 3.348 17.851 2.120 1.00 0.00 C ATOM 503 CG GLN A 37 4.178 19.130 1.992 1.00 0.00 C ATOM 504 CD GLN A 37 4.896 19.157 0.646 1.00 0.00 C ATOM 505 OE1 GLN A 37 4.263 19.350 -0.392 1.00 0.00 O ATOM 506 NE2 GLN A 37 6.187 18.973 0.602 1.00 0.00 N ATOM 0 H GLN A 37 2.029 19.729 1.239 1.00 0.00 H new ATOM 0 HA GLN A 37 3.042 17.380 0.040 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.744 17.886 3.027 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.005 16.986 2.208 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.532 20.003 2.086 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.905 19.183 2.802 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.709 18.813 1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.674 18.989 -0.294 1.00 0.00 H new ATOM 515 N ALA A 38 0.549 16.902 2.179 1.00 0.00 N ATOM 516 CA ALA A 38 -0.515 15.970 2.533 1.00 0.00 C ATOM 517 C ALA A 38 -1.274 15.532 1.286 1.00 0.00 C ATOM 518 O ALA A 38 -1.475 14.340 1.055 1.00 0.00 O ATOM 519 CB ALA A 38 -1.482 16.629 3.519 1.00 0.00 C ATOM 0 H ALA A 38 0.593 17.738 2.761 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.066 15.093 3.000 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.273 15.926 3.778 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.942 16.916 4.421 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -1.920 17.516 3.061 1.00 0.00 H new ATOM 525 N ASP A 39 -1.692 16.506 0.484 1.00 0.00 N ATOM 526 CA ASP A 39 -2.427 16.211 -0.741 1.00 0.00 C ATOM 527 C ASP A 39 -1.623 15.271 -1.632 1.00 0.00 C ATOM 528 O ASP A 39 -2.120 14.231 -2.061 1.00 0.00 O ATOM 529 CB ASP A 39 -2.724 17.507 -1.497 1.00 0.00 C ATOM 530 CG ASP A 39 -3.603 17.215 -2.709 1.00 0.00 C ATOM 531 OD1 ASP A 39 -3.707 16.055 -3.073 1.00 0.00 O ATOM 532 OD2 ASP A 39 -4.158 18.154 -3.254 1.00 0.00 O ATOM 0 H ASP A 39 -1.536 17.499 0.658 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.365 15.726 -0.473 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.224 18.216 -0.837 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.792 17.973 -1.817 1.00 0.00 H new ATOM 537 N LEU A 40 -0.378 15.644 -1.905 1.00 0.00 N ATOM 538 CA LEU A 40 0.487 14.825 -2.746 1.00 0.00 C ATOM 539 C LEU A 40 0.489 13.380 -2.257 1.00 0.00 C ATOM 540 O LEU A 40 0.266 12.452 -3.033 1.00 0.00 O ATOM 541 CB LEU A 40 1.919 15.377 -2.722 1.00 0.00 C ATOM 542 CG LEU A 40 2.042 16.554 -3.700 1.00 0.00 C ATOM 543 CD1 LEU A 40 3.164 17.489 -3.242 1.00 0.00 C ATOM 544 CD2 LEU A 40 2.368 16.026 -5.103 1.00 0.00 C ATOM 0 H LEU A 40 0.053 16.502 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 40 0.106 14.854 -3.767 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.176 15.702 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.625 14.592 -2.993 1.00 0.00 H new ATOM 0 HG LEU A 40 1.098 17.099 -3.724 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.249 18.324 -3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.937 17.869 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.106 16.941 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.455 16.863 -5.796 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.310 15.478 -5.076 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.571 15.361 -5.436 1.00 0.00 H new ATOM 556 N ALA A 41 0.743 13.198 -0.966 1.00 0.00 N ATOM 557 CA ALA A 41 0.773 11.861 -0.384 1.00 0.00 C ATOM 558 C ALA A 41 -0.585 11.181 -0.526 1.00 0.00 C ATOM 559 O ALA A 41 -0.664 9.967 -0.717 1.00 0.00 O ATOM 560 CB ALA A 41 1.152 11.944 1.096 1.00 0.00 C ATOM 0 H ALA A 41 0.930 13.953 -0.306 1.00 0.00 H new ATOM 0 HA ALA A 41 1.518 11.271 -0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.172 10.941 1.523 1.00 0.00 H new ATOM 0 HB2 ALA A 41 2.137 12.400 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.417 12.550 1.626 1.00 0.00 H new ATOM 566 N LEU A 42 -1.650 11.970 -0.429 1.00 0.00 N ATOM 567 CA LEU A 42 -2.999 11.428 -0.548 1.00 0.00 C ATOM 568 C LEU A 42 -3.301 11.049 -1.994 1.00 0.00 C ATOM 569 O LEU A 42 -3.943 10.032 -2.259 1.00 0.00 O ATOM 570 CB LEU A 42 -4.024 12.462 -0.065 1.00 0.00 C ATOM 571 CG LEU A 42 -3.998 12.544 1.467 1.00 0.00 C ATOM 572 CD1 LEU A 42 -4.451 13.936 1.915 1.00 0.00 C ATOM 573 CD2 LEU A 42 -4.945 11.492 2.057 1.00 0.00 C ATOM 0 H LEU A 42 -1.607 12.977 -0.270 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.065 10.533 0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.799 13.438 -0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.022 12.186 -0.407 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.983 12.359 1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.432 13.992 3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.779 14.688 1.501 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.465 14.120 1.560 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.924 11.553 3.145 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -5.959 11.676 1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.626 10.498 1.743 1.00 0.00 H new ATOM 585 N ARG A 43 -2.833 11.872 -2.926 1.00 0.00 N ATOM 586 CA ARG A 43 -3.059 11.611 -4.343 1.00 0.00 C ATOM 587 C ARG A 43 -2.142 10.496 -4.836 1.00 0.00 C ATOM 588 O ARG A 43 -2.580 9.587 -5.542 1.00 0.00 O ATOM 589 CB ARG A 43 -2.805 12.882 -5.158 1.00 0.00 C ATOM 590 CG ARG A 43 -3.259 12.661 -6.602 1.00 0.00 C ATOM 591 CD ARG A 43 -3.230 13.991 -7.358 1.00 0.00 C ATOM 592 NE ARG A 43 -1.852 14.412 -7.591 1.00 0.00 N ATOM 593 CZ ARG A 43 -1.196 15.150 -6.700 1.00 0.00 C ATOM 594 NH1 ARG A 43 -1.782 15.513 -5.593 1.00 0.00 N ATOM 595 NH2 ARG A 43 0.036 15.511 -6.934 1.00 0.00 N ATOM 0 H ARG A 43 -2.299 12.719 -2.729 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.095 11.298 -4.473 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.345 13.722 -4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.745 13.137 -5.134 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.607 11.938 -7.092 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.266 12.244 -6.618 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.752 13.888 -8.310 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -3.759 14.754 -6.786 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.383 14.135 -8.454 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.745 15.231 -5.409 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.277 16.079 -4.911 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.495 15.227 -7.800 1.00 0.00 H new ATOM 0 HH22 ARG A 43 0.540 16.077 -6.251 1.00 0.00 H new ATOM 609 N ARG A 44 -0.870 10.570 -4.459 1.00 0.00 N ATOM 610 CA ARG A 44 0.097 9.562 -4.868 1.00 0.00 C ATOM 611 C ARG A 44 -0.324 8.184 -4.367 1.00 0.00 C ATOM 612 O ARG A 44 0.175 7.162 -4.839 1.00 0.00 O ATOM 613 CB ARG A 44 1.480 9.917 -4.311 1.00 0.00 C ATOM 614 CG ARG A 44 2.564 9.306 -5.200 1.00 0.00 C ATOM 615 CD ARG A 44 3.902 9.314 -4.460 1.00 0.00 C ATOM 616 NE ARG A 44 4.929 8.661 -5.264 1.00 0.00 N ATOM 617 CZ ARG A 44 6.067 8.245 -4.719 1.00 0.00 C ATOM 618 NH1 ARG A 44 6.283 8.419 -3.444 1.00 0.00 N ATOM 619 NH2 ARG A 44 6.970 7.663 -5.459 1.00 0.00 N ATOM 0 H ARG A 44 -0.488 11.313 -3.874 1.00 0.00 H new ATOM 0 HA ARG A 44 0.140 9.539 -5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.599 11.000 -4.268 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.579 9.544 -3.291 1.00 0.00 H new ATOM 0 HG2 ARG A 44 2.293 8.285 -5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 44 2.648 9.871 -6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.199 10.340 -4.242 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.799 8.802 -3.503 1.00 0.00 H new ATOM 0 HE ARG A 44 4.771 8.521 -6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.578 8.875 -2.865 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.157 8.099 -3.027 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.802 7.527 -6.456 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.844 7.344 -5.041 1.00 0.00 H new ATOM 633 N SER A 45 -1.245 8.165 -3.409 1.00 0.00 N ATOM 634 CA SER A 45 -1.729 6.907 -2.849 1.00 0.00 C ATOM 635 C SER A 45 -2.902 6.375 -3.667 1.00 0.00 C ATOM 636 O SER A 45 -4.049 6.767 -3.453 1.00 0.00 O ATOM 637 CB SER A 45 -2.169 7.118 -1.400 1.00 0.00 C ATOM 638 OG SER A 45 -2.311 5.854 -0.765 1.00 0.00 O ATOM 0 H SER A 45 -1.669 9.000 -3.006 1.00 0.00 H new ATOM 0 HA SER A 45 -0.918 6.179 -2.880 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.435 7.724 -0.869 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.113 7.662 -1.370 1.00 0.00 H new ATOM 0 HG SER A 45 -2.592 5.985 0.165 1.00 0.00 H new ATOM 644 N LEU A 46 -2.605 5.482 -4.604 1.00 0.00 N ATOM 645 CA LEU A 46 -3.642 4.903 -5.450 1.00 0.00 C ATOM 646 C LEU A 46 -4.513 3.946 -4.643 1.00 0.00 C ATOM 647 O LEU A 46 -5.598 3.561 -5.078 1.00 0.00 O ATOM 648 CB LEU A 46 -3.005 4.150 -6.622 1.00 0.00 C ATOM 649 CG LEU A 46 -2.491 5.145 -7.673 1.00 0.00 C ATOM 650 CD1 LEU A 46 -3.669 5.859 -8.349 1.00 0.00 C ATOM 651 CD2 LEU A 46 -1.583 6.179 -6.998 1.00 0.00 C ATOM 0 H LEU A 46 -1.662 5.145 -4.796 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.264 5.711 -5.835 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.182 3.532 -6.263 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.736 3.478 -7.073 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.927 4.600 -8.430 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.291 6.561 -9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.308 5.124 -8.837 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.246 6.400 -7.599 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.218 6.885 -7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.147 6.716 -6.235 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.737 5.672 -6.534 1.00 0.00 H new ATOM 663 N ASP A 47 -4.030 3.566 -3.464 1.00 0.00 N ATOM 664 CA ASP A 47 -4.774 2.653 -2.604 1.00 0.00 C ATOM 665 C ASP A 47 -5.990 3.352 -2.005 1.00 0.00 C ATOM 666 O ASP A 47 -6.717 2.771 -1.200 1.00 0.00 O ATOM 667 CB ASP A 47 -3.871 2.142 -1.480 1.00 0.00 C ATOM 668 CG ASP A 47 -4.670 1.250 -0.535 1.00 0.00 C ATOM 669 OD1 ASP A 47 -5.490 0.490 -1.022 1.00 0.00 O ATOM 670 OD2 ASP A 47 -4.451 1.342 0.661 1.00 0.00 O ATOM 0 H ASP A 47 -3.134 3.873 -3.085 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.114 1.811 -3.207 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.034 1.584 -1.900 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.449 2.983 -0.930 1.00 0.00 H new ATOM 675 N SER A 48 -6.205 4.600 -2.405 1.00 0.00 N ATOM 676 CA SER A 48 -7.336 5.370 -1.901 1.00 0.00 C ATOM 677 C SER A 48 -8.606 4.525 -1.915 1.00 0.00 C ATOM 678 O SER A 48 -9.108 4.122 -0.866 1.00 0.00 O ATOM 679 CB SER A 48 -7.543 6.617 -2.759 1.00 0.00 C ATOM 680 OG SER A 48 -7.940 6.227 -4.067 1.00 0.00 O ATOM 0 H SER A 48 -5.615 5.098 -3.072 1.00 0.00 H new ATOM 0 HA SER A 48 -7.121 5.668 -0.875 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.303 7.258 -2.312 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.622 7.198 -2.804 1.00 0.00 H new ATOM 0 HG SER A 48 -8.075 7.025 -4.619 1.00 0.00 H new ATOM 686 N TYR A 49 -9.119 4.261 -3.111 1.00 0.00 N ATOM 687 CA TYR A 49 -10.331 3.463 -3.254 1.00 0.00 C ATOM 688 C TYR A 49 -10.029 1.990 -2.973 1.00 0.00 C ATOM 689 O TYR A 49 -8.898 1.538 -3.146 1.00 0.00 O ATOM 690 CB TYR A 49 -10.889 3.617 -4.676 1.00 0.00 C ATOM 691 CG TYR A 49 -11.837 4.795 -4.732 1.00 0.00 C ATOM 692 CD1 TYR A 49 -11.524 5.981 -4.056 1.00 0.00 C ATOM 693 CD2 TYR A 49 -13.028 4.699 -5.461 1.00 0.00 C ATOM 694 CE1 TYR A 49 -12.403 7.070 -4.109 1.00 0.00 C ATOM 695 CE2 TYR A 49 -13.907 5.788 -5.515 1.00 0.00 C ATOM 696 CZ TYR A 49 -13.593 6.973 -4.839 1.00 0.00 C ATOM 697 OH TYR A 49 -14.459 8.047 -4.892 1.00 0.00 O ATOM 0 H TYR A 49 -8.718 4.585 -3.991 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.072 3.814 -2.536 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.072 3.762 -5.383 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.409 2.706 -4.973 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.605 6.056 -3.494 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -13.269 3.784 -5.982 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -12.163 7.984 -3.587 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -14.826 5.714 -6.077 1.00 0.00 H new ATOM 0 HH TYR A 49 -15.236 7.814 -5.441 1.00 0.00 H new ATOM 707 N PRO A 50 -11.013 1.240 -2.547 1.00 0.00 N ATOM 708 CA PRO A 50 -10.843 -0.209 -2.241 1.00 0.00 C ATOM 709 C PRO A 50 -10.583 -1.029 -3.501 1.00 0.00 C ATOM 710 O PRO A 50 -11.405 -1.058 -4.417 1.00 0.00 O ATOM 711 CB PRO A 50 -12.172 -0.607 -1.587 1.00 0.00 C ATOM 712 CG PRO A 50 -13.166 0.391 -2.080 1.00 0.00 C ATOM 713 CD PRO A 50 -12.395 1.689 -2.311 1.00 0.00 C ATOM 0 HA PRO A 50 -9.982 -0.395 -1.599 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -12.460 -1.620 -1.866 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -12.098 -0.585 -0.500 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -13.635 0.049 -3.002 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -13.964 0.537 -1.352 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.788 2.241 -3.165 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.458 2.351 -1.447 1.00 0.00 H new ATOM 721 N VAL A 51 -9.433 -1.691 -3.540 1.00 0.00 N ATOM 722 CA VAL A 51 -9.067 -2.506 -4.688 1.00 0.00 C ATOM 723 C VAL A 51 -9.863 -3.808 -4.698 1.00 0.00 C ATOM 724 O VAL A 51 -9.931 -4.513 -3.691 1.00 0.00 O ATOM 725 CB VAL A 51 -7.571 -2.819 -4.644 1.00 0.00 C ATOM 726 CG1 VAL A 51 -7.261 -3.672 -3.413 1.00 0.00 C ATOM 727 CG2 VAL A 51 -7.177 -3.586 -5.906 1.00 0.00 C ATOM 0 H VAL A 51 -8.741 -1.679 -2.791 1.00 0.00 H new ATOM 0 HA VAL A 51 -9.297 -1.949 -5.596 1.00 0.00 H new ATOM 0 HB VAL A 51 -7.007 -1.888 -4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.194 -3.894 -3.383 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -7.543 -3.127 -2.512 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.824 -4.604 -3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.111 -3.811 -5.877 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.742 -4.516 -5.958 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.396 -2.979 -6.784 1.00 0.00 H new ATOM 737 N SER A 52 -10.464 -4.119 -5.842 1.00 0.00 N ATOM 738 CA SER A 52 -11.255 -5.337 -5.974 1.00 0.00 C ATOM 739 C SER A 52 -10.350 -6.535 -6.246 1.00 0.00 C ATOM 740 O SER A 52 -9.201 -6.377 -6.659 1.00 0.00 O ATOM 741 CB SER A 52 -12.260 -5.187 -7.115 1.00 0.00 C ATOM 742 OG SER A 52 -11.591 -5.364 -8.357 1.00 0.00 O ATOM 0 H SER A 52 -10.419 -3.548 -6.686 1.00 0.00 H new ATOM 0 HA SER A 52 -11.790 -5.503 -5.039 1.00 0.00 H new ATOM 0 HB2 SER A 52 -13.058 -5.922 -7.011 1.00 0.00 H new ATOM 0 HB3 SER A 52 -12.726 -4.203 -7.077 1.00 0.00 H new ATOM 0 HG SER A 52 -11.619 -6.310 -8.612 1.00 0.00 H new ATOM 748 N LYS A 53 -10.878 -7.734 -6.011 1.00 0.00 N ATOM 749 CA LYS A 53 -10.113 -8.958 -6.235 1.00 0.00 C ATOM 750 C LYS A 53 -10.946 -9.975 -7.007 1.00 0.00 C ATOM 751 O LYS A 53 -12.173 -9.990 -6.908 1.00 0.00 O ATOM 752 CB LYS A 53 -9.687 -9.559 -4.894 1.00 0.00 C ATOM 753 CG LYS A 53 -9.077 -8.465 -4.015 1.00 0.00 C ATOM 754 CD LYS A 53 -8.658 -9.064 -2.671 1.00 0.00 C ATOM 755 CE LYS A 53 -8.231 -7.943 -1.722 1.00 0.00 C ATOM 756 NZ LYS A 53 -7.599 -8.533 -0.508 1.00 0.00 N ATOM 0 H LYS A 53 -11.827 -7.884 -5.668 1.00 0.00 H new ATOM 0 HA LYS A 53 -9.228 -8.710 -6.820 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.547 -10.005 -4.394 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.962 -10.357 -5.055 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.214 -8.023 -4.513 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.800 -7.664 -3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -9.485 -9.626 -2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.837 -9.766 -2.814 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -7.529 -7.276 -2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.096 -7.342 -1.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.309 -7.771 0.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -8.282 -9.152 -0.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.765 -9.088 -0.786 1.00 0.00 H new ATOM 770 N ASN A 54 -10.273 -10.823 -7.778 1.00 0.00 N ATOM 771 CA ASN A 54 -10.963 -11.839 -8.564 1.00 0.00 C ATOM 772 C ASN A 54 -12.137 -11.225 -9.320 1.00 0.00 C ATOM 773 O ASN A 54 -13.295 -11.544 -9.051 1.00 0.00 O ATOM 774 CB ASN A 54 -11.471 -12.953 -7.646 1.00 0.00 C ATOM 775 CG ASN A 54 -10.298 -13.622 -6.939 1.00 0.00 C ATOM 776 OD1 ASN A 54 -9.376 -14.113 -7.591 1.00 0.00 O ATOM 777 ND2 ASN A 54 -10.276 -13.673 -5.635 1.00 0.00 N ATOM 0 H ASN A 54 -9.258 -10.827 -7.875 1.00 0.00 H new ATOM 0 HA ASN A 54 -10.259 -12.255 -9.285 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.163 -12.542 -6.911 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -12.024 -13.691 -8.227 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -9.495 -14.120 -5.155 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -11.040 -13.266 -5.096 1.00 0.00 H new ATOM 784 N ASP A 55 -11.829 -10.343 -10.267 1.00 0.00 N ATOM 785 CA ASP A 55 -12.863 -9.685 -11.062 1.00 0.00 C ATOM 786 C ASP A 55 -12.642 -9.946 -12.548 1.00 0.00 C ATOM 787 O ASP A 55 -13.198 -9.252 -13.400 1.00 0.00 O ATOM 788 CB ASP A 55 -12.842 -8.178 -10.799 1.00 0.00 C ATOM 789 CG ASP A 55 -13.375 -7.885 -9.402 1.00 0.00 C ATOM 790 OD1 ASP A 55 -12.579 -7.864 -8.477 1.00 0.00 O ATOM 791 OD2 ASP A 55 -14.572 -7.684 -9.276 1.00 0.00 O ATOM 0 H ASP A 55 -10.875 -10.068 -10.502 1.00 0.00 H new ATOM 0 HA ASP A 55 -13.832 -10.092 -10.773 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -11.825 -7.798 -10.896 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -13.448 -7.662 -11.544 1.00 0.00 H new ATOM 796 N GLY A 56 -11.826 -10.950 -12.852 1.00 0.00 N ATOM 797 CA GLY A 56 -11.538 -11.294 -14.239 1.00 0.00 C ATOM 798 C GLY A 56 -10.494 -10.354 -14.830 1.00 0.00 C ATOM 799 O GLY A 56 -10.361 -10.243 -16.049 1.00 0.00 O ATOM 0 H GLY A 56 -11.356 -11.536 -12.162 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.180 -12.322 -14.296 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.454 -11.242 -14.828 1.00 0.00 H new ATOM 803 N THR A 57 -9.753 -9.678 -13.957 1.00 0.00 N ATOM 804 CA THR A 57 -8.721 -8.749 -14.405 1.00 0.00 C ATOM 805 C THR A 57 -7.858 -8.300 -13.231 1.00 0.00 C ATOM 806 O THR A 57 -8.176 -7.325 -12.550 1.00 0.00 O ATOM 807 CB THR A 57 -9.367 -7.527 -15.062 1.00 0.00 C ATOM 808 OG1 THR A 57 -8.450 -6.442 -15.044 1.00 0.00 O ATOM 809 CG2 THR A 57 -10.632 -7.141 -14.294 1.00 0.00 C ATOM 0 H THR A 57 -9.846 -9.755 -12.944 1.00 0.00 H new ATOM 0 HA THR A 57 -8.089 -9.261 -15.131 1.00 0.00 H new ATOM 0 HB THR A 57 -9.630 -7.765 -16.093 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.862 -5.659 -15.465 1.00 0.00 H new ATOM 0 HG21 THR A 57 -11.091 -6.271 -14.763 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.335 -7.974 -14.309 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.373 -6.903 -13.262 1.00 0.00 H new ATOM 817 N ARG A 58 -6.763 -9.017 -13.000 1.00 0.00 N ATOM 818 CA ARG A 58 -5.859 -8.684 -11.905 1.00 0.00 C ATOM 819 C ARG A 58 -4.956 -7.516 -12.300 1.00 0.00 C ATOM 820 O ARG A 58 -4.638 -7.339 -13.476 1.00 0.00 O ATOM 821 CB ARG A 58 -5.000 -9.904 -11.554 1.00 0.00 C ATOM 822 CG ARG A 58 -5.834 -10.901 -10.745 1.00 0.00 C ATOM 823 CD ARG A 58 -5.031 -12.185 -10.527 1.00 0.00 C ATOM 824 NE ARG A 58 -4.010 -11.977 -9.504 1.00 0.00 N ATOM 825 CZ ARG A 58 -2.789 -11.554 -9.822 1.00 0.00 C ATOM 826 NH1 ARG A 58 -2.482 -11.315 -11.067 1.00 0.00 N ATOM 827 NH2 ARG A 58 -1.897 -11.380 -8.886 1.00 0.00 N ATOM 0 H ARG A 58 -6.481 -9.827 -13.552 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.451 -8.395 -11.036 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.632 -10.377 -12.465 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.127 -9.594 -10.980 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.109 -10.465 -9.785 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.762 -11.125 -11.271 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.698 -12.992 -10.226 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.562 -12.492 -11.462 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.237 -12.160 -8.527 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.179 -11.452 -11.799 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.545 -10.991 -11.308 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.136 -11.568 -7.912 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -0.961 -11.056 -9.128 1.00 0.00 H new ATOM 841 N PRO A 59 -4.539 -6.721 -11.347 1.00 0.00 N ATOM 842 CA PRO A 59 -3.653 -5.548 -11.611 1.00 0.00 C ATOM 843 C PRO A 59 -2.265 -5.976 -12.087 1.00 0.00 C ATOM 844 O PRO A 59 -1.990 -7.168 -12.234 1.00 0.00 O ATOM 845 CB PRO A 59 -3.575 -4.830 -10.257 1.00 0.00 C ATOM 846 CG PRO A 59 -3.904 -5.871 -9.238 1.00 0.00 C ATOM 847 CD PRO A 59 -4.863 -6.849 -9.917 1.00 0.00 C ATOM 0 HA PRO A 59 -4.042 -4.912 -12.406 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -2.581 -4.415 -10.089 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.279 -3.999 -10.212 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -3.003 -6.382 -8.900 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.365 -5.422 -8.358 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -4.712 -7.869 -9.562 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.904 -6.593 -9.718 1.00 0.00 H new ATOM 855 N LYS A 60 -1.399 -4.996 -12.327 1.00 0.00 N ATOM 856 CA LYS A 60 -0.041 -5.277 -12.788 1.00 0.00 C ATOM 857 C LYS A 60 0.976 -4.495 -11.963 1.00 0.00 C ATOM 858 O LYS A 60 0.846 -3.284 -11.786 1.00 0.00 O ATOM 859 CB LYS A 60 0.097 -4.900 -14.263 1.00 0.00 C ATOM 860 CG LYS A 60 1.483 -5.308 -14.769 1.00 0.00 C ATOM 861 CD LYS A 60 1.589 -5.011 -16.266 1.00 0.00 C ATOM 862 CE LYS A 60 2.913 -5.557 -16.802 1.00 0.00 C ATOM 863 NZ LYS A 60 4.037 -4.722 -16.291 1.00 0.00 N ATOM 0 H LYS A 60 -1.611 -4.005 -12.211 1.00 0.00 H new ATOM 0 HA LYS A 60 0.152 -6.343 -12.666 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -0.676 -5.396 -14.850 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.046 -3.827 -14.390 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.255 -4.764 -14.224 1.00 0.00 H new ATOM 0 HG3 LYS A 60 1.651 -6.369 -14.585 1.00 0.00 H new ATOM 0 HD2 LYS A 60 0.754 -5.466 -16.798 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.530 -3.937 -16.439 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.044 -6.593 -16.490 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.907 -5.550 -17.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 4.915 -4.983 -16.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.829 -3.717 -16.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.152 -4.883 -15.270 1.00 0.00 H new ATOM 877 N MET A 61 1.988 -5.195 -11.462 1.00 0.00 N ATOM 878 CA MET A 61 3.023 -4.557 -10.656 1.00 0.00 C ATOM 879 C MET A 61 4.071 -3.901 -11.552 1.00 0.00 C ATOM 880 O MET A 61 4.464 -4.459 -12.576 1.00 0.00 O ATOM 881 CB MET A 61 3.699 -5.595 -9.754 1.00 0.00 C ATOM 882 CG MET A 61 2.811 -5.878 -8.540 1.00 0.00 C ATOM 883 SD MET A 61 1.149 -6.329 -9.098 1.00 0.00 S ATOM 884 CE MET A 61 1.439 -8.109 -9.255 1.00 0.00 C ATOM 0 H MET A 61 2.114 -6.198 -11.598 1.00 0.00 H new ATOM 0 HA MET A 61 2.555 -3.790 -10.039 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.875 -6.515 -10.311 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.672 -5.229 -9.428 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.238 -6.685 -7.945 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.764 -4.999 -7.898 1.00 0.00 H new ATOM 0 HE1 MET A 61 0.526 -8.598 -9.595 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.235 -8.286 -9.978 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.731 -8.517 -8.287 1.00 0.00 H new ATOM 894 N THR A 62 4.518 -2.714 -11.155 1.00 0.00 N ATOM 895 CA THR A 62 5.522 -1.990 -11.925 1.00 0.00 C ATOM 896 C THR A 62 6.904 -2.600 -11.694 1.00 0.00 C ATOM 897 O THR A 62 7.144 -3.240 -10.671 1.00 0.00 O ATOM 898 CB THR A 62 5.525 -0.512 -11.507 1.00 0.00 C ATOM 899 OG1 THR A 62 5.080 -0.404 -10.163 1.00 0.00 O ATOM 900 CG2 THR A 62 4.590 0.288 -12.418 1.00 0.00 C ATOM 0 H THR A 62 4.203 -2.236 -10.311 1.00 0.00 H new ATOM 0 HA THR A 62 5.280 -2.064 -12.985 1.00 0.00 H new ATOM 0 HB THR A 62 6.536 -0.115 -11.594 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.124 -0.191 -10.151 1.00 0.00 H new ATOM 0 HG21 THR A 62 4.597 1.335 -12.116 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.930 0.206 -13.450 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.577 -0.107 -12.337 1.00 0.00 H new ATOM 908 N PRO A 63 7.811 -2.415 -12.620 1.00 0.00 N ATOM 909 CA PRO A 63 9.196 -2.962 -12.509 1.00 0.00 C ATOM 910 C PRO A 63 9.903 -2.472 -11.246 1.00 0.00 C ATOM 911 O PRO A 63 10.596 -3.237 -10.574 1.00 0.00 O ATOM 912 CB PRO A 63 9.906 -2.454 -13.777 1.00 0.00 C ATOM 913 CG PRO A 63 9.045 -1.356 -14.315 1.00 0.00 C ATOM 914 CD PRO A 63 7.619 -1.668 -13.870 1.00 0.00 C ATOM 0 HA PRO A 63 9.200 -4.049 -12.433 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.906 -2.088 -13.545 1.00 0.00 H new ATOM 0 HB3 PRO A 63 10.021 -3.254 -14.508 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.368 -0.387 -13.933 1.00 0.00 H new ATOM 0 HG3 PRO A 63 9.111 -1.308 -15.402 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.039 -0.759 -13.710 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.086 -2.259 -14.614 1.00 0.00 H new ATOM 922 N GLU A 64 9.719 -1.194 -10.929 1.00 0.00 N ATOM 923 CA GLU A 64 10.340 -0.615 -9.744 1.00 0.00 C ATOM 924 C GLU A 64 9.798 -1.272 -8.480 1.00 0.00 C ATOM 925 O GLU A 64 10.530 -1.475 -7.510 1.00 0.00 O ATOM 926 CB GLU A 64 10.070 0.891 -9.696 1.00 0.00 C ATOM 927 CG GLU A 64 10.981 1.540 -8.652 1.00 0.00 C ATOM 928 CD GLU A 64 10.589 3.000 -8.455 1.00 0.00 C ATOM 929 OE1 GLU A 64 9.450 3.332 -8.743 1.00 0.00 O ATOM 930 OE2 GLU A 64 11.434 3.766 -8.020 1.00 0.00 O ATOM 0 H GLU A 64 9.150 -0.545 -11.472 1.00 0.00 H new ATOM 0 HA GLU A 64 11.415 -0.790 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 64 10.248 1.335 -10.676 1.00 0.00 H new ATOM 0 HB3 GLU A 64 9.025 1.076 -9.448 1.00 0.00 H new ATOM 0 HG2 GLU A 64 10.904 1.003 -7.706 1.00 0.00 H new ATOM 0 HG3 GLU A 64 12.021 1.474 -8.973 1.00 0.00 H new ATOM 937 N GLN A 65 8.511 -1.603 -8.497 1.00 0.00 N ATOM 938 CA GLN A 65 7.880 -2.239 -7.346 1.00 0.00 C ATOM 939 C GLN A 65 8.443 -3.641 -7.136 1.00 0.00 C ATOM 940 O GLN A 65 9.131 -3.903 -6.150 1.00 0.00 O ATOM 941 CB GLN A 65 6.368 -2.317 -7.557 1.00 0.00 C ATOM 942 CG GLN A 65 5.749 -0.934 -7.343 1.00 0.00 C ATOM 943 CD GLN A 65 4.235 -1.014 -7.488 1.00 0.00 C ATOM 944 OE1 GLN A 65 3.592 -0.033 -7.861 1.00 0.00 O ATOM 945 NE2 GLN A 65 3.622 -2.133 -7.214 1.00 0.00 N ATOM 0 H GLN A 65 7.888 -1.443 -9.289 1.00 0.00 H new ATOM 0 HA GLN A 65 8.090 -1.640 -6.460 1.00 0.00 H new ATOM 0 HB2 GLN A 65 6.149 -2.673 -8.564 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.930 -3.034 -6.863 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.009 -0.559 -6.353 1.00 0.00 H new ATOM 0 HG3 GLN A 65 6.155 -0.228 -8.068 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.157 -2.945 -6.905 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.608 -2.196 -7.309 1.00 0.00 H new ATOM 954 N MET A 66 8.145 -4.540 -8.068 1.00 0.00 N ATOM 955 CA MET A 66 8.629 -5.913 -7.971 1.00 0.00 C ATOM 956 C MET A 66 10.123 -5.931 -7.666 1.00 0.00 C ATOM 957 O MET A 66 10.589 -6.718 -6.843 1.00 0.00 O ATOM 958 CB MET A 66 8.363 -6.657 -9.281 1.00 0.00 C ATOM 959 CG MET A 66 9.043 -5.921 -10.437 1.00 0.00 C ATOM 960 SD MET A 66 8.420 -6.563 -12.010 1.00 0.00 S ATOM 961 CE MET A 66 9.686 -7.833 -12.256 1.00 0.00 C ATOM 0 H MET A 66 7.576 -4.346 -8.892 1.00 0.00 H new ATOM 0 HA MET A 66 8.097 -6.410 -7.160 1.00 0.00 H new ATOM 0 HB2 MET A 66 8.740 -7.677 -9.214 1.00 0.00 H new ATOM 0 HB3 MET A 66 7.290 -6.725 -9.461 1.00 0.00 H new ATOM 0 HG2 MET A 66 8.848 -4.851 -10.366 1.00 0.00 H new ATOM 0 HG3 MET A 66 10.124 -6.053 -10.381 1.00 0.00 H new ATOM 0 HE1 MET A 66 9.492 -8.364 -13.188 1.00 0.00 H new ATOM 0 HE2 MET A 66 10.668 -7.363 -12.303 1.00 0.00 H new ATOM 0 HE3 MET A 66 9.661 -8.538 -11.425 1.00 0.00 H new ATOM 971 N ALA A 67 10.869 -5.054 -8.333 1.00 0.00 N ATOM 972 CA ALA A 67 12.309 -4.979 -8.120 1.00 0.00 C ATOM 973 C ALA A 67 12.616 -4.668 -6.659 1.00 0.00 C ATOM 974 O ALA A 67 13.398 -5.369 -6.015 1.00 0.00 O ATOM 975 CB ALA A 67 12.914 -3.892 -9.013 1.00 0.00 C ATOM 0 H ALA A 67 10.504 -4.392 -9.018 1.00 0.00 H new ATOM 0 HA ALA A 67 12.747 -5.944 -8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 67 13.990 -3.843 -8.848 1.00 0.00 H new ATOM 0 HB2 ALA A 67 12.718 -4.129 -10.059 1.00 0.00 H new ATOM 0 HB3 ALA A 67 12.465 -2.929 -8.769 1.00 0.00 H new ATOM 981 N LYS A 68 11.992 -3.615 -6.140 1.00 0.00 N ATOM 982 CA LYS A 68 12.203 -3.223 -4.752 1.00 0.00 C ATOM 983 C LYS A 68 11.861 -4.378 -3.816 1.00 0.00 C ATOM 984 O LYS A 68 12.652 -4.739 -2.946 1.00 0.00 O ATOM 985 CB LYS A 68 11.328 -2.010 -4.414 1.00 0.00 C ATOM 986 CG LYS A 68 11.871 -1.309 -3.161 1.00 0.00 C ATOM 987 CD LYS A 68 12.918 -0.266 -3.563 1.00 0.00 C ATOM 988 CE LYS A 68 13.730 0.147 -2.333 1.00 0.00 C ATOM 989 NZ LYS A 68 14.714 -0.922 -2.005 1.00 0.00 N ATOM 0 H LYS A 68 11.341 -3.022 -6.655 1.00 0.00 H new ATOM 0 HA LYS A 68 13.253 -2.960 -4.620 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.314 -1.315 -5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 68 10.299 -2.328 -4.247 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.056 -0.829 -2.619 1.00 0.00 H new ATOM 0 HG3 LYS A 68 12.314 -2.042 -2.487 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.579 -0.675 -4.327 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.429 0.606 -3.998 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.248 1.087 -2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.066 0.317 -1.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.454 -0.534 -1.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.229 -1.703 -1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.146 -1.277 -2.882 1.00 0.00 H new ATOM 1003 N GLU A 69 10.679 -4.956 -4.006 1.00 0.00 N ATOM 1004 CA GLU A 69 10.244 -6.072 -3.176 1.00 0.00 C ATOM 1005 C GLU A 69 11.313 -7.158 -3.142 1.00 0.00 C ATOM 1006 O GLU A 69 11.644 -7.686 -2.080 1.00 0.00 O ATOM 1007 CB GLU A 69 8.939 -6.654 -3.722 1.00 0.00 C ATOM 1008 CG GLU A 69 7.795 -5.670 -3.468 1.00 0.00 C ATOM 1009 CD GLU A 69 7.474 -5.616 -1.978 1.00 0.00 C ATOM 1010 OE1 GLU A 69 7.302 -6.672 -1.390 1.00 0.00 O ATOM 1011 OE2 GLU A 69 7.405 -4.520 -1.447 1.00 0.00 O ATOM 0 H GLU A 69 10.010 -4.672 -4.722 1.00 0.00 H new ATOM 0 HA GLU A 69 10.080 -5.705 -2.163 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.034 -6.849 -4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.725 -7.609 -3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.072 -4.678 -3.825 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.911 -5.975 -4.028 1.00 0.00 H new ATOM 1018 N MET A 70 11.853 -7.486 -4.312 1.00 0.00 N ATOM 1019 CA MET A 70 12.888 -8.508 -4.403 1.00 0.00 C ATOM 1020 C MET A 70 14.088 -8.128 -3.545 1.00 0.00 C ATOM 1021 O MET A 70 14.488 -8.876 -2.652 1.00 0.00 O ATOM 1022 CB MET A 70 13.331 -8.677 -5.859 1.00 0.00 C ATOM 1023 CG MET A 70 12.262 -9.450 -6.635 1.00 0.00 C ATOM 1024 SD MET A 70 12.330 -11.199 -6.174 1.00 0.00 S ATOM 1025 CE MET A 70 12.053 -11.886 -7.825 1.00 0.00 C ATOM 0 H MET A 70 11.593 -7.062 -5.203 1.00 0.00 H new ATOM 0 HA MET A 70 12.477 -9.449 -4.039 1.00 0.00 H new ATOM 0 HB2 MET A 70 13.492 -7.701 -6.316 1.00 0.00 H new ATOM 0 HB3 MET A 70 14.281 -9.209 -5.901 1.00 0.00 H new ATOM 0 HG2 MET A 70 11.274 -9.044 -6.418 1.00 0.00 H new ATOM 0 HG3 MET A 70 12.424 -9.339 -7.707 1.00 0.00 H new ATOM 0 HE1 MET A 70 12.057 -12.975 -7.771 1.00 0.00 H new ATOM 0 HE2 MET A 70 11.090 -11.545 -8.204 1.00 0.00 H new ATOM 0 HE3 MET A 70 12.845 -11.553 -8.495 1.00 0.00 H new ATOM 1035 N SER A 71 14.658 -6.959 -3.817 1.00 0.00 N ATOM 1036 CA SER A 71 15.812 -6.489 -3.059 1.00 0.00 C ATOM 1037 C SER A 71 15.506 -6.497 -1.565 1.00 0.00 C ATOM 1038 O SER A 71 16.405 -6.652 -0.738 1.00 0.00 O ATOM 1039 CB SER A 71 16.184 -5.072 -3.497 1.00 0.00 C ATOM 1040 OG SER A 71 17.404 -4.693 -2.874 1.00 0.00 O ATOM 0 H SER A 71 14.343 -6.324 -4.550 1.00 0.00 H new ATOM 0 HA SER A 71 16.649 -7.159 -3.253 1.00 0.00 H new ATOM 0 HB2 SER A 71 16.287 -5.030 -4.581 1.00 0.00 H new ATOM 0 HB3 SER A 71 15.391 -4.375 -3.225 1.00 0.00 H new ATOM 0 HG SER A 71 17.646 -3.786 -3.154 1.00 0.00 H new ATOM 1046 N GLU A 72 14.231 -6.331 -1.227 1.00 0.00 N ATOM 1047 CA GLU A 72 13.813 -6.321 0.171 1.00 0.00 C ATOM 1048 C GLU A 72 13.599 -7.745 0.677 1.00 0.00 C ATOM 1049 O GLU A 72 13.895 -8.055 1.831 1.00 0.00 O ATOM 1050 CB GLU A 72 12.517 -5.525 0.320 1.00 0.00 C ATOM 1051 CG GLU A 72 12.813 -4.031 0.162 1.00 0.00 C ATOM 1052 CD GLU A 72 11.517 -3.231 0.243 1.00 0.00 C ATOM 1053 OE1 GLU A 72 10.489 -3.766 -0.142 1.00 0.00 O ATOM 1054 OE2 GLU A 72 11.570 -2.097 0.688 1.00 0.00 O ATOM 0 H GLU A 72 13.473 -6.202 -1.897 1.00 0.00 H new ATOM 0 HA GLU A 72 14.599 -5.852 0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.794 -5.844 -0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.070 -5.717 1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.501 -3.704 0.941 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.304 -3.848 -0.794 1.00 0.00 H new ATOM 1061 N PHE A 73 13.080 -8.605 -0.193 1.00 0.00 N ATOM 1062 CA PHE A 73 12.828 -9.993 0.177 1.00 0.00 C ATOM 1063 C PHE A 73 14.140 -10.760 0.312 1.00 0.00 C ATOM 1064 O PHE A 73 14.253 -11.677 1.126 1.00 0.00 O ATOM 1065 CB PHE A 73 11.949 -10.665 -0.879 1.00 0.00 C ATOM 1066 CG PHE A 73 11.439 -11.982 -0.346 1.00 0.00 C ATOM 1067 CD1 PHE A 73 12.206 -13.143 -0.498 1.00 0.00 C ATOM 1068 CD2 PHE A 73 10.197 -12.044 0.299 1.00 0.00 C ATOM 1069 CE1 PHE A 73 11.734 -14.365 -0.004 1.00 0.00 C ATOM 1070 CE2 PHE A 73 9.725 -13.265 0.792 1.00 0.00 C ATOM 1071 CZ PHE A 73 10.493 -14.426 0.641 1.00 0.00 C ATOM 0 H PHE A 73 12.827 -8.368 -1.152 1.00 0.00 H new ATOM 0 HA PHE A 73 12.314 -10.004 1.138 1.00 0.00 H new ATOM 0 HB2 PHE A 73 11.112 -10.016 -1.137 1.00 0.00 H new ATOM 0 HB3 PHE A 73 12.520 -10.827 -1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 73 13.163 -13.096 -0.997 1.00 0.00 H new ATOM 0 HD2 PHE A 73 9.604 -11.149 0.416 1.00 0.00 H new ATOM 0 HE1 PHE A 73 12.327 -15.260 -0.120 1.00 0.00 H new ATOM 0 HE2 PHE A 73 8.768 -13.312 1.289 1.00 0.00 H new ATOM 0 HZ PHE A 73 10.128 -15.368 1.022 1.00 0.00 H new ATOM 1081 N LEU A 74 15.129 -10.378 -0.489 1.00 0.00 N ATOM 1082 CA LEU A 74 16.429 -11.037 -0.449 1.00 0.00 C ATOM 1083 C LEU A 74 17.234 -10.555 0.753 1.00 0.00 C ATOM 1084 O LEU A 74 18.204 -11.195 1.160 1.00 0.00 O ATOM 1085 CB LEU A 74 17.205 -10.745 -1.737 1.00 0.00 C ATOM 1086 CG LEU A 74 16.403 -11.236 -2.950 1.00 0.00 C ATOM 1087 CD1 LEU A 74 16.858 -10.485 -4.203 1.00 0.00 C ATOM 1088 CD2 LEU A 74 16.633 -12.738 -3.151 1.00 0.00 C ATOM 0 H LEU A 74 15.056 -9.621 -1.169 1.00 0.00 H new ATOM 0 HA LEU A 74 16.269 -12.111 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.394 -9.675 -1.824 1.00 0.00 H new ATOM 0 HB3 LEU A 74 18.176 -11.239 -1.707 1.00 0.00 H new ATOM 0 HG LEU A 74 15.343 -11.051 -2.775 1.00 0.00 H new ATOM 0 HD11 LEU A 74 16.288 -10.834 -5.064 1.00 0.00 H new ATOM 0 HD12 LEU A 74 16.692 -9.416 -4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 74 17.919 -10.668 -4.372 1.00 0.00 H new ATOM 0 HD21 LEU A 74 16.061 -13.081 -4.013 1.00 0.00 H new ATOM 0 HD22 LEU A 74 17.693 -12.924 -3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 74 16.308 -13.278 -2.262 1.00 0.00 H new ATOM 1100 N SER A 75 16.825 -9.424 1.317 1.00 0.00 N ATOM 1101 CA SER A 75 17.514 -8.865 2.473 1.00 0.00 C ATOM 1102 C SER A 75 18.894 -8.350 2.078 1.00 0.00 C ATOM 1103 O SER A 75 19.404 -8.673 1.005 1.00 0.00 O ATOM 1104 CB SER A 75 17.655 -9.932 3.560 1.00 0.00 C ATOM 1105 OG SER A 75 18.874 -10.639 3.365 1.00 0.00 O ATOM 0 H SER A 75 16.025 -8.880 0.995 1.00 0.00 H new ATOM 0 HA SER A 75 16.926 -8.031 2.856 1.00 0.00 H new ATOM 0 HB2 SER A 75 17.644 -9.468 4.546 1.00 0.00 H new ATOM 0 HB3 SER A 75 16.811 -10.621 3.522 1.00 0.00 H new ATOM 0 HG SER A 75 18.898 -11.005 2.456 1.00 0.00 H new ATOM 1111 N ARG A 76 19.493 -7.547 2.952 1.00 0.00 N ATOM 1112 CA ARG A 76 20.814 -6.992 2.683 1.00 0.00 C ATOM 1113 C ARG A 76 21.897 -8.037 2.940 1.00 0.00 C ATOM 1114 O ARG A 76 22.008 -9.021 2.210 1.00 0.00 O ATOM 1115 CB ARG A 76 21.057 -5.770 3.571 1.00 0.00 C ATOM 1116 CG ARG A 76 20.086 -4.653 3.181 1.00 0.00 C ATOM 1117 CD ARG A 76 20.066 -3.586 4.277 1.00 0.00 C ATOM 1118 NE ARG A 76 19.163 -2.502 3.909 1.00 0.00 N ATOM 1119 CZ ARG A 76 18.676 -1.672 4.826 1.00 0.00 C ATOM 1120 NH1 ARG A 76 19.004 -1.820 6.080 1.00 0.00 N ATOM 1121 NH2 ARG A 76 17.870 -0.708 4.471 1.00 0.00 N ATOM 0 H ARG A 76 19.088 -7.268 3.846 1.00 0.00 H new ATOM 0 HA ARG A 76 20.857 -6.693 1.636 1.00 0.00 H new ATOM 0 HB2 ARG A 76 20.920 -6.036 4.619 1.00 0.00 H new ATOM 0 HB3 ARG A 76 22.086 -5.427 3.461 1.00 0.00 H new ATOM 0 HG2 ARG A 76 20.388 -4.209 2.232 1.00 0.00 H new ATOM 0 HG3 ARG A 76 19.085 -5.061 3.038 1.00 0.00 H new ATOM 0 HD2 ARG A 76 19.748 -4.030 5.220 1.00 0.00 H new ATOM 0 HD3 ARG A 76 21.071 -3.195 4.432 1.00 0.00 H new ATOM 0 HE ARG A 76 18.900 -2.378 2.931 1.00 0.00 H new ATOM 0 HH11 ARG A 76 19.634 -2.573 6.357 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.630 -1.183 6.784 1.00 0.00 H new ATOM 0 HH21 ARG A 76 17.614 -0.592 3.490 1.00 0.00 H new ATOM 0 HH22 ARG A 76 17.496 -0.071 5.174 1.00 0.00 H new ATOM 1135 N GLY A 77 22.693 -7.815 3.982 1.00 0.00 N ATOM 1136 CA GLY A 77 23.762 -8.745 4.324 1.00 0.00 C ATOM 1137 C GLY A 77 23.221 -9.935 5.109 1.00 0.00 C ATOM 1138 O GLY A 77 22.011 -10.072 5.292 1.00 0.00 O ATOM 0 H GLY A 77 22.619 -7.006 4.599 1.00 0.00 H new ATOM 0 HA2 GLY A 77 24.248 -9.096 3.414 1.00 0.00 H new ATOM 0 HA3 GLY A 77 24.521 -8.231 4.913 1.00 0.00 H new ATOM 1142 N PRO A 78 24.093 -10.790 5.572 1.00 0.00 N ATOM 1143 CA PRO A 78 23.704 -11.999 6.355 1.00 0.00 C ATOM 1144 C PRO A 78 22.756 -11.660 7.504 1.00 0.00 C ATOM 1145 O PRO A 78 22.255 -12.550 8.191 1.00 0.00 O ATOM 1146 CB PRO A 78 25.039 -12.537 6.883 1.00 0.00 C ATOM 1147 CG PRO A 78 26.071 -12.031 5.928 1.00 0.00 C ATOM 1148 CD PRO A 78 25.550 -10.696 5.395 1.00 0.00 C ATOM 0 HA PRO A 78 23.161 -12.723 5.747 1.00 0.00 H new ATOM 0 HB2 PRO A 78 25.233 -12.184 7.896 1.00 0.00 H new ATOM 0 HB3 PRO A 78 25.037 -13.626 6.920 1.00 0.00 H new ATOM 0 HG2 PRO A 78 27.031 -11.901 6.427 1.00 0.00 H new ATOM 0 HG3 PRO A 78 26.227 -12.739 5.114 1.00 0.00 H new ATOM 0 HD2 PRO A 78 25.966 -9.855 5.949 1.00 0.00 H new ATOM 0 HD3 PRO A 78 25.817 -10.552 4.348 1.00 0.00 H new ATOM 1156 N ALA A 79 22.517 -10.369 7.704 1.00 0.00 N ATOM 1157 CA ALA A 79 21.628 -9.924 8.771 1.00 0.00 C ATOM 1158 C ALA A 79 22.005 -10.585 10.093 1.00 0.00 C ATOM 1159 O ALA A 79 21.468 -11.643 10.379 1.00 0.00 O ATOM 1160 CB ALA A 79 20.179 -10.268 8.421 1.00 0.00 C ATOM 1161 OXT ALA A 79 22.825 -10.023 10.801 1.00 0.00 O ATOM 0 H ALA A 79 22.923 -9.617 7.146 1.00 0.00 H new ATOM 0 HA ALA A 79 21.729 -8.844 8.876 1.00 0.00 H new ATOM 0 HB1 ALA A 79 19.521 -9.932 9.223 1.00 0.00 H new ATOM 0 HB2 ALA A 79 19.901 -9.771 7.492 1.00 0.00 H new ATOM 0 HB3 ALA A 79 20.080 -11.347 8.299 1.00 0.00 H new TER 1167 ALA A 79