USER MOD reduce.3.24.130724 H: found=0, std=0, add=758, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 759 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 37 TYR OH : rot 180:sc= 0.16 USER MOD Set 1.2: A 40 GLN : amide:sc= 0.606 K(o=0.77,f=0.051) USER MOD Set 2.1: A 32 GLN : amide:sc= 0 X(o=0.33,f=0.17) USER MOD Set 2.2: A 88 SER OG : rot -69:sc= 0.332 USER MOD Set 3.1: A 26 GLN : amide:sc= 0.792 K(o=1.5,f=-4.5) USER MOD Set 3.2: A 28 LYS NZ :NH3+ -171:sc= 0.742 (180deg=-0.0166) USER MOD Single : A 2 THR OG1 : rot -163:sc= -1.06 USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 8 GLN : amide:sc= -0.448 X(o=-0.45,f=-0.014) USER MOD Single : A 13 LYS NZ :NH3+ 165:sc= 1.17 (180deg=0.996) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 43:sc= 0.35 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0944 X(o=-0.094,f=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -132:sc= -0.0849 (180deg=-1.09) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -171:sc= -0.618 (180deg=-0.793) USER MOD Single : A 46 ASN : amide:sc= 0.385 X(o=0.39,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 8:sc= 0.283 USER MOD Single : A 51 GLN : amide:sc= -1.46! C(o=-1.5!,f=-8.8!) USER MOD Single : A 53 HIS : no HD1:sc= 0.749 K(o=0.75,f=-3.5!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -2.14! C(o=-2.1!,f=-5.3!) USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= 0.708 (180deg=0.675) USER MOD Single : A 72 THR OG1 : rot 59:sc= 1.21 USER MOD Single : A 75 THR OG1 : rot 117:sc= 0.708 USER MOD Single : A 76 GLN :FLIP amide:sc= -0.177 F(o=-0.93,f=-0.18) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0335 USER MOD Single : A 78 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0335) USER MOD Single : A 85 LYS NZ :NH3+ 151:sc= 0.816 (180deg=0.263) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -10.422 -1.514 -1.238 1.00 63.25 N ATOM 21 CA THR A 2 -10.401 -2.775 -1.994 1.00 44.32 C ATOM 22 C THR A 2 -9.109 -2.808 -2.825 1.00 60.10 C ATOM 23 O THR A 2 -8.392 -1.800 -2.887 1.00 61.25 O ATOM 24 CB THR A 2 -11.642 -2.881 -2.942 1.00 42.13 C ATOM 25 OG1 THR A 2 -11.667 -1.766 -3.852 1.00 73.15 O ATOM 26 CG2 THR A 2 -12.958 -2.922 -2.157 1.00 31.02 C ATOM 0 HA THR A 2 -10.438 -3.616 -1.302 1.00 44.32 H new ATOM 0 HB THR A 2 -11.547 -3.814 -3.497 1.00 42.13 H new ATOM 0 HG1 THR A 2 -12.560 -1.687 -4.248 1.00 73.15 H new ATOM 0 HG21 THR A 2 -13.794 -2.996 -2.852 1.00 31.02 H new ATOM 0 HG22 THR A 2 -12.960 -3.788 -1.494 1.00 31.02 H new ATOM 0 HG23 THR A 2 -13.057 -2.012 -1.565 1.00 31.02 H new ATOM 34 N GLY A 3 -8.800 -3.964 -3.444 1.00 62.13 N ATOM 35 CA GLY A 3 -7.675 -4.072 -4.388 1.00 34.11 C ATOM 36 C GLY A 3 -7.838 -3.136 -5.581 1.00 40.11 C ATOM 37 O GLY A 3 -6.849 -2.685 -6.177 1.00 10.22 O ATOM 0 H GLY A 3 -9.314 -4.834 -3.306 1.00 62.13 H new ATOM 0 HA2 GLY A 3 -6.744 -3.841 -3.870 1.00 34.11 H new ATOM 0 HA3 GLY A 3 -7.596 -5.100 -4.742 1.00 34.11 H new ATOM 41 N GLN A 4 -9.118 -2.867 -5.918 1.00 52.24 N ATOM 42 CA GLN A 4 -9.525 -1.867 -6.910 1.00 33.14 C ATOM 43 C GLN A 4 -9.078 -0.458 -6.459 1.00 73.41 C ATOM 44 O GLN A 4 -8.314 0.195 -7.159 1.00 22.42 O ATOM 45 CB GLN A 4 -11.069 -1.904 -7.099 1.00 64.14 C ATOM 46 CG GLN A 4 -11.619 -0.835 -8.067 1.00 74.31 C ATOM 47 CD GLN A 4 -13.144 -0.782 -8.147 1.00 4.22 C ATOM 48 OE1 GLN A 4 -13.839 -1.070 -7.176 1.00 4.01 O ATOM 49 NE2 GLN A 4 -13.674 -0.403 -9.303 1.00 55.35 N ATOM 0 H GLN A 4 -9.909 -3.353 -5.495 1.00 52.24 H new ATOM 0 HA GLN A 4 -9.047 -2.098 -7.862 1.00 33.14 H new ATOM 0 HB2 GLN A 4 -11.354 -2.890 -7.466 1.00 64.14 H new ATOM 0 HB3 GLN A 4 -11.545 -1.776 -6.127 1.00 64.14 H new ATOM 0 HG2 GLN A 4 -11.249 0.143 -7.758 1.00 74.31 H new ATOM 0 HG3 GLN A 4 -11.221 -1.026 -9.064 1.00 74.31 H new ATOM 0 HE21 GLN A 4 -13.068 -0.171 -10.090 1.00 55.35 H new ATOM 0 HE22 GLN A 4 -14.687 -0.344 -9.405 1.00 55.35 H new ATOM 58 N GLU A 5 -9.548 -0.030 -5.262 1.00 20.52 N ATOM 59 CA GLU A 5 -9.244 1.311 -4.692 1.00 34.24 C ATOM 60 C GLU A 5 -7.734 1.521 -4.533 1.00 62.05 C ATOM 61 O GLU A 5 -7.239 2.635 -4.705 1.00 11.32 O ATOM 62 CB GLU A 5 -9.928 1.493 -3.310 1.00 34.50 C ATOM 63 CG GLU A 5 -11.459 1.476 -3.354 1.00 43.13 C ATOM 64 CD GLU A 5 -12.083 1.649 -1.961 1.00 35.54 C ATOM 65 OE1 GLU A 5 -12.085 2.782 -1.449 1.00 21.40 O ATOM 66 OE2 GLU A 5 -12.563 0.656 -1.370 1.00 53.11 O ATOM 0 H GLU A 5 -10.146 -0.600 -4.664 1.00 20.52 H new ATOM 0 HA GLU A 5 -9.634 2.051 -5.391 1.00 34.24 H new ATOM 0 HB2 GLU A 5 -9.587 0.701 -2.643 1.00 34.50 H new ATOM 0 HB3 GLU A 5 -9.600 2.438 -2.877 1.00 34.50 H new ATOM 0 HG2 GLU A 5 -11.811 2.273 -4.009 1.00 43.13 H new ATOM 0 HG3 GLU A 5 -11.798 0.535 -3.787 1.00 43.13 H new ATOM 73 N LEU A 6 -7.028 0.421 -4.223 1.00 13.22 N ATOM 74 CA LEU A 6 -5.592 0.432 -3.943 1.00 2.44 C ATOM 75 C LEU A 6 -4.800 0.754 -5.215 1.00 31.34 C ATOM 76 O LEU A 6 -4.013 1.700 -5.216 1.00 23.43 O ATOM 77 CB LEU A 6 -5.163 -0.918 -3.317 1.00 44.52 C ATOM 78 CG LEU A 6 -3.697 -1.015 -2.773 1.00 35.52 C ATOM 79 CD1 LEU A 6 -3.338 0.161 -1.831 1.00 72.42 C ATOM 80 CD2 LEU A 6 -3.487 -2.363 -2.064 1.00 41.12 C ATOM 0 H LEU A 6 -7.447 -0.507 -4.160 1.00 13.22 H new ATOM 0 HA LEU A 6 -5.372 1.217 -3.219 1.00 2.44 H new ATOM 0 HB2 LEU A 6 -5.844 -1.143 -2.497 1.00 44.52 H new ATOM 0 HB3 LEU A 6 -5.299 -1.698 -4.067 1.00 44.52 H new ATOM 0 HG LEU A 6 -3.025 -0.949 -3.628 1.00 35.52 H new ATOM 0 HD11 LEU A 6 -2.312 0.047 -1.481 1.00 72.42 H new ATOM 0 HD12 LEU A 6 -3.435 1.103 -2.371 1.00 72.42 H new ATOM 0 HD13 LEU A 6 -4.015 0.162 -0.976 1.00 72.42 H new ATOM 0 HD21 LEU A 6 -2.465 -2.422 -1.689 1.00 41.12 H new ATOM 0 HD22 LEU A 6 -4.185 -2.448 -1.231 1.00 41.12 H new ATOM 0 HD23 LEU A 6 -3.662 -3.176 -2.769 1.00 41.12 H new ATOM 92 N ARG A 7 -5.056 -0.001 -6.307 1.00 71.23 N ATOM 93 CA ARG A 7 -4.381 0.232 -7.600 1.00 71.23 C ATOM 94 C ARG A 7 -4.749 1.609 -8.177 1.00 73.32 C ATOM 95 O ARG A 7 -3.893 2.280 -8.732 1.00 32.24 O ATOM 96 CB ARG A 7 -4.701 -0.872 -8.639 1.00 4.32 C ATOM 97 CG ARG A 7 -6.192 -1.001 -9.038 1.00 62.35 C ATOM 98 CD ARG A 7 -6.406 -1.984 -10.190 1.00 65.34 C ATOM 99 NE ARG A 7 -5.676 -1.565 -11.393 1.00 54.31 N ATOM 100 CZ ARG A 7 -4.643 -2.209 -11.955 1.00 23.51 C ATOM 101 NH1 ARG A 7 -4.183 -3.344 -11.443 1.00 53.52 N ATOM 102 NH2 ARG A 7 -4.100 -1.713 -13.043 1.00 33.15 N ATOM 0 H ARG A 7 -5.722 -0.773 -6.317 1.00 71.23 H new ATOM 0 HA ARG A 7 -3.310 0.202 -7.398 1.00 71.23 H new ATOM 0 HB2 ARG A 7 -4.118 -0.679 -9.539 1.00 4.32 H new ATOM 0 HB3 ARG A 7 -4.365 -1.830 -8.241 1.00 4.32 H new ATOM 0 HG2 ARG A 7 -6.769 -1.328 -8.173 1.00 62.35 H new ATOM 0 HG3 ARG A 7 -6.574 -0.021 -9.325 1.00 62.35 H new ATOM 0 HD2 ARG A 7 -6.075 -2.978 -9.889 1.00 65.34 H new ATOM 0 HD3 ARG A 7 -7.470 -2.057 -10.415 1.00 65.34 H new ATOM 0 HE ARG A 7 -5.984 -0.703 -11.843 1.00 54.31 H new ATOM 0 HH11 ARG A 7 -4.616 -3.740 -10.609 1.00 53.52 H new ATOM 0 HH12 ARG A 7 -3.396 -3.820 -11.884 1.00 53.52 H new ATOM 0 HH21 ARG A 7 -4.465 -0.851 -13.448 1.00 33.15 H new ATOM 0 HH22 ARG A 7 -3.313 -2.190 -13.484 1.00 33.15 H new ATOM 116 N GLN A 8 -6.027 2.018 -8.020 1.00 22.24 N ATOM 117 CA GLN A 8 -6.521 3.325 -8.501 1.00 44.40 C ATOM 118 C GLN A 8 -5.870 4.472 -7.713 1.00 14.33 C ATOM 119 O GLN A 8 -5.652 5.545 -8.258 1.00 63.35 O ATOM 120 CB GLN A 8 -8.071 3.399 -8.407 1.00 50.32 C ATOM 121 CG GLN A 8 -8.811 2.399 -9.329 1.00 23.12 C ATOM 122 CD GLN A 8 -8.643 2.700 -10.822 1.00 64.05 C ATOM 123 OE1 GLN A 8 -9.455 3.395 -11.426 1.00 61.42 O ATOM 124 NE2 GLN A 8 -7.580 2.190 -11.423 1.00 21.21 N ATOM 0 H GLN A 8 -6.741 1.454 -7.559 1.00 22.24 H new ATOM 0 HA GLN A 8 -6.242 3.430 -9.549 1.00 44.40 H new ATOM 0 HB2 GLN A 8 -8.370 3.215 -7.375 1.00 50.32 H new ATOM 0 HB3 GLN A 8 -8.391 4.411 -8.656 1.00 50.32 H new ATOM 0 HG2 GLN A 8 -8.445 1.392 -9.127 1.00 23.12 H new ATOM 0 HG3 GLN A 8 -9.873 2.408 -9.082 1.00 23.12 H new ATOM 0 HE21 GLN A 8 -6.922 1.616 -10.895 1.00 21.21 H new ATOM 0 HE22 GLN A 8 -7.418 2.371 -12.414 1.00 21.21 H new ATOM 133 N LEU A 9 -5.535 4.215 -6.438 1.00 64.13 N ATOM 134 CA LEU A 9 -4.836 5.186 -5.579 1.00 0.25 C ATOM 135 C LEU A 9 -3.379 5.371 -6.060 1.00 53.34 C ATOM 136 O LEU A 9 -2.838 6.467 -5.981 1.00 61.45 O ATOM 137 CB LEU A 9 -4.870 4.718 -4.096 1.00 40.45 C ATOM 138 CG LEU A 9 -4.358 5.736 -3.023 1.00 50.54 C ATOM 139 CD1 LEU A 9 -5.159 7.055 -3.056 1.00 34.01 C ATOM 140 CD2 LEU A 9 -4.385 5.111 -1.612 1.00 22.11 C ATOM 0 H LEU A 9 -5.740 3.330 -5.974 1.00 64.13 H new ATOM 0 HA LEU A 9 -5.346 6.147 -5.646 1.00 0.25 H new ATOM 0 HB2 LEU A 9 -5.897 4.450 -3.848 1.00 40.45 H new ATOM 0 HB3 LEU A 9 -4.275 3.809 -4.013 1.00 40.45 H new ATOM 0 HG LEU A 9 -3.324 5.976 -3.271 1.00 50.54 H new ATOM 0 HD11 LEU A 9 -4.773 7.734 -2.296 1.00 34.01 H new ATOM 0 HD12 LEU A 9 -5.061 7.516 -4.039 1.00 34.01 H new ATOM 0 HD13 LEU A 9 -6.210 6.847 -2.856 1.00 34.01 H new ATOM 0 HD21 LEU A 9 -4.025 5.839 -0.885 1.00 22.11 H new ATOM 0 HD22 LEU A 9 -5.406 4.823 -1.361 1.00 22.11 H new ATOM 0 HD23 LEU A 9 -3.744 4.230 -1.592 1.00 22.11 H new ATOM 152 N LEU A 10 -2.773 4.280 -6.577 1.00 1.12 N ATOM 153 CA LEU A 10 -1.387 4.285 -7.103 1.00 62.50 C ATOM 154 C LEU A 10 -1.334 4.915 -8.521 1.00 72.51 C ATOM 155 O LEU A 10 -0.390 5.643 -8.857 1.00 42.11 O ATOM 156 CB LEU A 10 -0.836 2.826 -7.149 1.00 71.55 C ATOM 157 CG LEU A 10 -0.950 2.002 -5.823 1.00 41.43 C ATOM 158 CD1 LEU A 10 -0.537 0.534 -6.026 1.00 52.33 C ATOM 159 CD2 LEU A 10 -0.163 2.653 -4.669 1.00 22.31 C ATOM 0 H LEU A 10 -3.229 3.370 -6.642 1.00 1.12 H new ATOM 0 HA LEU A 10 -0.768 4.887 -6.438 1.00 62.50 H new ATOM 0 HB2 LEU A 10 -1.363 2.285 -7.935 1.00 71.55 H new ATOM 0 HB3 LEU A 10 0.214 2.865 -7.439 1.00 71.55 H new ATOM 0 HG LEU A 10 -2.002 2.009 -5.539 1.00 41.43 H new ATOM 0 HD11 LEU A 10 -0.630 -0.004 -5.083 1.00 52.33 H new ATOM 0 HD12 LEU A 10 -1.185 0.074 -6.772 1.00 52.33 H new ATOM 0 HD13 LEU A 10 0.497 0.491 -6.368 1.00 52.33 H new ATOM 0 HD21 LEU A 10 -0.270 2.048 -3.769 1.00 22.31 H new ATOM 0 HD22 LEU A 10 0.891 2.719 -4.939 1.00 22.31 H new ATOM 0 HD23 LEU A 10 -0.553 3.654 -4.482 1.00 22.31 H new ATOM 171 N LEU A 11 -2.370 4.624 -9.333 1.00 61.22 N ATOM 172 CA LEU A 11 -2.446 5.026 -10.756 1.00 51.42 C ATOM 173 C LEU A 11 -2.823 6.513 -10.896 1.00 33.40 C ATOM 174 O LEU A 11 -2.215 7.232 -11.689 1.00 73.54 O ATOM 175 CB LEU A 11 -3.465 4.129 -11.516 1.00 70.43 C ATOM 176 CG LEU A 11 -3.039 2.640 -11.737 1.00 75.12 C ATOM 177 CD1 LEU A 11 -4.214 1.783 -12.241 1.00 55.11 C ATOM 178 CD2 LEU A 11 -1.833 2.541 -12.693 1.00 61.13 C ATOM 0 H LEU A 11 -3.186 4.099 -9.019 1.00 61.22 H new ATOM 0 HA LEU A 11 -1.460 4.890 -11.200 1.00 51.42 H new ATOM 0 HB2 LEU A 11 -4.407 4.139 -10.967 1.00 70.43 H new ATOM 0 HB3 LEU A 11 -3.659 4.579 -12.490 1.00 70.43 H new ATOM 0 HG LEU A 11 -2.734 2.243 -10.769 1.00 75.12 H new ATOM 0 HD11 LEU A 11 -3.880 0.755 -12.383 1.00 55.11 H new ATOM 0 HD12 LEU A 11 -5.021 1.805 -11.508 1.00 55.11 H new ATOM 0 HD13 LEU A 11 -4.575 2.182 -13.189 1.00 55.11 H new ATOM 0 HD21 LEU A 11 -1.560 1.494 -12.827 1.00 61.13 H new ATOM 0 HD22 LEU A 11 -2.097 2.974 -13.658 1.00 61.13 H new ATOM 0 HD23 LEU A 11 -0.988 3.085 -12.271 1.00 61.13 H new ATOM 190 N ASP A 12 -3.824 6.968 -10.117 1.00 43.13 N ATOM 191 CA ASP A 12 -4.251 8.392 -10.101 1.00 4.23 C ATOM 192 C ASP A 12 -3.130 9.293 -9.557 1.00 13.34 C ATOM 193 O ASP A 12 -2.993 10.446 -9.979 1.00 11.02 O ATOM 194 CB ASP A 12 -5.537 8.605 -9.244 1.00 70.12 C ATOM 195 CG ASP A 12 -6.843 8.253 -9.980 1.00 13.41 C ATOM 196 OD1 ASP A 12 -7.226 9.003 -10.907 1.00 34.31 O ATOM 197 OD2 ASP A 12 -7.514 7.262 -9.619 1.00 23.03 O ATOM 0 H ASP A 12 -4.358 6.371 -9.486 1.00 43.13 H new ATOM 0 HA ASP A 12 -4.473 8.664 -11.133 1.00 4.23 H new ATOM 0 HB2 ASP A 12 -5.465 7.998 -8.342 1.00 70.12 H new ATOM 0 HB3 ASP A 12 -5.581 9.646 -8.925 1.00 70.12 H new ATOM 202 N LYS A 13 -2.342 8.748 -8.614 1.00 12.11 N ATOM 203 CA LYS A 13 -1.299 9.502 -7.913 1.00 24.31 C ATOM 204 C LYS A 13 -0.009 9.600 -8.756 1.00 61.42 C ATOM 205 O LYS A 13 0.370 10.683 -9.208 1.00 4.34 O ATOM 206 CB LYS A 13 -1.003 8.829 -6.544 1.00 54.41 C ATOM 207 CG LYS A 13 -0.088 9.640 -5.614 1.00 1.00 C ATOM 208 CD LYS A 13 -0.733 10.958 -5.155 1.00 44.02 C ATOM 209 CE LYS A 13 0.207 11.795 -4.291 1.00 51.03 C ATOM 210 NZ LYS A 13 -0.480 12.984 -3.741 1.00 30.21 N ATOM 0 H LYS A 13 -2.413 7.774 -8.320 1.00 12.11 H new ATOM 0 HA LYS A 13 -1.660 10.517 -7.748 1.00 24.31 H new ATOM 0 HB2 LYS A 13 -1.948 8.646 -6.033 1.00 54.41 H new ATOM 0 HB3 LYS A 13 -0.545 7.856 -6.724 1.00 54.41 H new ATOM 0 HG2 LYS A 13 0.162 9.038 -4.740 1.00 1.00 H new ATOM 0 HG3 LYS A 13 0.848 9.857 -6.129 1.00 1.00 H new ATOM 0 HD2 LYS A 13 -1.031 11.537 -6.029 1.00 44.02 H new ATOM 0 HD3 LYS A 13 -1.641 10.739 -4.593 1.00 44.02 H new ATOM 0 HE2 LYS A 13 0.592 11.185 -3.474 1.00 51.03 H new ATOM 0 HE3 LYS A 13 1.065 12.111 -4.885 1.00 51.03 H new ATOM 0 HZ1 LYS A 13 0.089 13.388 -2.970 1.00 30.21 H new ATOM 0 HZ2 LYS A 13 -0.600 13.694 -4.492 1.00 30.21 H new ATOM 0 HZ3 LYS A 13 -1.413 12.707 -3.374 1.00 30.21 H new ATOM 224 N TRP A 14 0.638 8.445 -8.984 1.00 13.03 N ATOM 225 CA TRP A 14 2.000 8.364 -9.561 1.00 2.43 C ATOM 226 C TRP A 14 1.985 7.893 -11.023 1.00 13.40 C ATOM 227 O TRP A 14 3.008 7.964 -11.700 1.00 25.42 O ATOM 228 CB TRP A 14 2.860 7.417 -8.691 1.00 34.22 C ATOM 229 CG TRP A 14 2.967 7.856 -7.249 1.00 43.35 C ATOM 230 CD1 TRP A 14 3.317 9.096 -6.809 1.00 71.14 C ATOM 231 CD2 TRP A 14 2.722 7.075 -6.066 1.00 44.24 C ATOM 232 NE1 TRP A 14 3.320 9.132 -5.444 1.00 3.15 N ATOM 233 CE2 TRP A 14 2.958 7.908 -4.961 1.00 73.20 C ATOM 234 CE3 TRP A 14 2.330 5.760 -5.836 1.00 62.23 C ATOM 235 CZ2 TRP A 14 2.818 7.475 -3.645 1.00 12.34 C ATOM 236 CZ3 TRP A 14 2.192 5.326 -4.530 1.00 51.12 C ATOM 237 CH2 TRP A 14 2.436 6.181 -3.447 1.00 24.32 C ATOM 0 H TRP A 14 0.233 7.533 -8.774 1.00 13.03 H new ATOM 0 HA TRP A 14 2.432 9.365 -9.561 1.00 2.43 H new ATOM 0 HB2 TRP A 14 2.433 6.415 -8.727 1.00 34.22 H new ATOM 0 HB3 TRP A 14 3.861 7.352 -9.118 1.00 34.22 H new ATOM 0 HD1 TRP A 14 3.558 9.932 -7.449 1.00 71.14 H new ATOM 0 HE1 TRP A 14 3.556 9.945 -4.875 1.00 3.15 H new ATOM 0 HE3 TRP A 14 2.137 5.091 -6.662 1.00 62.23 H new ATOM 0 HZ2 TRP A 14 3.005 8.138 -2.813 1.00 12.34 H new ATOM 0 HZ3 TRP A 14 1.890 4.307 -4.341 1.00 51.12 H new ATOM 0 HH2 TRP A 14 2.320 5.809 -2.440 1.00 24.32 H new ATOM 248 N GLY A 15 0.829 7.406 -11.498 1.00 63.43 N ATOM 249 CA GLY A 15 0.680 6.972 -12.896 1.00 44.10 C ATOM 250 C GLY A 15 1.249 5.588 -13.166 1.00 32.44 C ATOM 251 O GLY A 15 1.481 5.236 -14.320 1.00 33.20 O ATOM 0 H GLY A 15 -0.016 7.303 -10.936 1.00 63.43 H new ATOM 0 HA2 GLY A 15 -0.378 6.979 -13.159 1.00 44.10 H new ATOM 0 HA3 GLY A 15 1.175 7.693 -13.547 1.00 44.10 H new ATOM 255 N TYR A 16 1.481 4.814 -12.094 1.00 12.43 N ATOM 256 CA TYR A 16 2.013 3.439 -12.162 1.00 12.14 C ATOM 257 C TYR A 16 1.368 2.595 -11.058 1.00 1.43 C ATOM 258 O TYR A 16 1.040 3.111 -9.983 1.00 40.22 O ATOM 259 CB TYR A 16 3.557 3.396 -11.994 1.00 51.02 C ATOM 260 CG TYR A 16 4.354 4.055 -13.125 1.00 71.04 C ATOM 261 CD1 TYR A 16 4.481 3.426 -14.362 1.00 52.41 C ATOM 262 CD2 TYR A 16 4.970 5.297 -12.954 1.00 64.13 C ATOM 263 CE1 TYR A 16 5.190 4.009 -15.389 1.00 62.13 C ATOM 264 CE2 TYR A 16 5.681 5.885 -13.979 1.00 65.15 C ATOM 265 CZ TYR A 16 5.790 5.235 -15.195 1.00 64.35 C ATOM 266 OH TYR A 16 6.501 5.818 -16.221 1.00 12.45 O ATOM 0 H TYR A 16 1.302 5.128 -11.140 1.00 12.43 H new ATOM 0 HA TYR A 16 1.774 3.041 -13.148 1.00 12.14 H new ATOM 0 HB2 TYR A 16 3.818 3.884 -11.055 1.00 51.02 H new ATOM 0 HB3 TYR A 16 3.869 2.355 -11.910 1.00 51.02 H new ATOM 0 HD1 TYR A 16 4.015 2.464 -14.518 1.00 52.41 H new ATOM 0 HD2 TYR A 16 4.888 5.805 -12.004 1.00 64.13 H new ATOM 0 HE1 TYR A 16 5.276 3.508 -16.342 1.00 62.13 H new ATOM 0 HE2 TYR A 16 6.150 6.847 -13.833 1.00 65.15 H new ATOM 0 HH TYR A 16 6.859 6.680 -15.922 1.00 12.45 H new ATOM 276 N SER A 17 1.193 1.302 -11.335 1.00 54.53 N ATOM 277 CA SER A 17 0.616 0.344 -10.388 1.00 72.41 C ATOM 278 C SER A 17 1.750 -0.354 -9.604 1.00 54.14 C ATOM 279 O SER A 17 2.299 -1.369 -10.053 1.00 75.54 O ATOM 280 CB SER A 17 -0.270 -0.669 -11.159 1.00 53.12 C ATOM 281 OG SER A 17 0.447 -1.325 -12.200 1.00 55.42 O ATOM 0 H SER A 17 1.450 0.886 -12.230 1.00 54.53 H new ATOM 0 HA SER A 17 -0.017 0.857 -9.664 1.00 72.41 H new ATOM 0 HB2 SER A 17 -0.659 -1.412 -10.463 1.00 53.12 H new ATOM 0 HB3 SER A 17 -1.129 -0.149 -11.583 1.00 53.12 H new ATOM 0 HG SER A 17 1.334 -1.584 -11.873 1.00 55.42 H new ATOM 287 N TYR A 18 2.086 0.204 -8.426 1.00 53.11 N ATOM 288 CA TYR A 18 3.218 -0.255 -7.591 1.00 62.23 C ATOM 289 C TYR A 18 2.852 -1.452 -6.705 1.00 23.13 C ATOM 290 O TYR A 18 1.683 -1.692 -6.399 1.00 70.35 O ATOM 291 CB TYR A 18 3.713 0.903 -6.696 1.00 54.51 C ATOM 292 CG TYR A 18 4.338 2.057 -7.475 1.00 32.12 C ATOM 293 CD1 TYR A 18 5.698 2.068 -7.762 1.00 62.02 C ATOM 294 CD2 TYR A 18 3.572 3.124 -7.924 1.00 50.30 C ATOM 295 CE1 TYR A 18 6.269 3.100 -8.466 1.00 14.34 C ATOM 296 CE2 TYR A 18 4.140 4.155 -8.626 1.00 15.45 C ATOM 297 CZ TYR A 18 5.487 4.141 -8.897 1.00 22.31 C ATOM 298 OH TYR A 18 6.048 5.164 -9.612 1.00 72.20 O ATOM 0 H TYR A 18 1.578 0.991 -8.022 1.00 53.11 H new ATOM 0 HA TYR A 18 4.005 -0.576 -8.273 1.00 62.23 H new ATOM 0 HB2 TYR A 18 2.875 1.283 -6.112 1.00 54.51 H new ATOM 0 HB3 TYR A 18 4.446 0.516 -5.988 1.00 54.51 H new ATOM 0 HD1 TYR A 18 6.317 1.250 -7.425 1.00 62.02 H new ATOM 0 HD2 TYR A 18 2.512 3.142 -7.717 1.00 50.30 H new ATOM 0 HE1 TYR A 18 7.328 3.092 -8.679 1.00 14.34 H new ATOM 0 HE2 TYR A 18 3.529 4.978 -8.966 1.00 15.45 H new ATOM 0 HH TYR A 18 5.357 5.820 -9.842 1.00 72.20 H new ATOM 308 N ASP A 19 3.888 -2.179 -6.280 1.00 24.35 N ATOM 309 CA ASP A 19 3.766 -3.256 -5.299 1.00 51.23 C ATOM 310 C ASP A 19 3.690 -2.636 -3.900 1.00 14.12 C ATOM 311 O ASP A 19 4.341 -1.624 -3.634 1.00 62.21 O ATOM 312 CB ASP A 19 4.974 -4.225 -5.408 1.00 34.54 C ATOM 313 CG ASP A 19 4.948 -5.355 -4.363 1.00 13.11 C ATOM 314 OD1 ASP A 19 3.908 -6.037 -4.245 1.00 24.31 O ATOM 315 OD2 ASP A 19 5.942 -5.548 -3.634 1.00 70.11 O ATOM 0 H ASP A 19 4.842 -2.034 -6.611 1.00 24.35 H new ATOM 0 HA ASP A 19 2.861 -3.832 -5.491 1.00 51.23 H new ATOM 0 HB2 ASP A 19 4.990 -4.663 -6.406 1.00 34.54 H new ATOM 0 HB3 ASP A 19 5.897 -3.657 -5.295 1.00 34.54 H new ATOM 320 N VAL A 20 2.877 -3.239 -3.027 1.00 62.41 N ATOM 321 CA VAL A 20 2.690 -2.788 -1.637 1.00 12.24 C ATOM 322 C VAL A 20 2.833 -4.001 -0.694 1.00 21.20 C ATOM 323 O VAL A 20 2.178 -5.027 -0.889 1.00 20.42 O ATOM 324 CB VAL A 20 1.286 -2.081 -1.439 1.00 55.34 C ATOM 325 CG1 VAL A 20 1.230 -0.715 -2.169 1.00 21.21 C ATOM 326 CG2 VAL A 20 0.127 -2.991 -1.910 1.00 11.53 C ATOM 0 H VAL A 20 2.323 -4.062 -3.264 1.00 62.41 H new ATOM 0 HA VAL A 20 3.454 -2.048 -1.399 1.00 12.24 H new ATOM 0 HB VAL A 20 1.166 -1.899 -0.371 1.00 55.34 H new ATOM 0 HG11 VAL A 20 0.253 -0.258 -2.012 1.00 21.21 H new ATOM 0 HG12 VAL A 20 2.005 -0.059 -1.773 1.00 21.21 H new ATOM 0 HG13 VAL A 20 1.392 -0.866 -3.236 1.00 21.21 H new ATOM 0 HG21 VAL A 20 -0.823 -2.477 -1.761 1.00 11.53 H new ATOM 0 HG22 VAL A 20 0.253 -3.222 -2.968 1.00 11.53 H new ATOM 0 HG23 VAL A 20 0.133 -3.916 -1.334 1.00 11.53 H new ATOM 336 N GLN A 21 3.705 -3.889 0.319 1.00 73.10 N ATOM 337 CA GLN A 21 4.000 -4.991 1.268 1.00 12.32 C ATOM 338 C GLN A 21 4.017 -4.468 2.704 1.00 61.04 C ATOM 339 O GLN A 21 4.444 -3.346 2.955 1.00 3.34 O ATOM 340 CB GLN A 21 5.367 -5.664 0.933 1.00 2.23 C ATOM 341 CG GLN A 21 5.372 -6.504 -0.361 1.00 21.12 C ATOM 342 CD GLN A 21 6.720 -7.181 -0.627 1.00 2.13 C ATOM 343 OE1 GLN A 21 6.970 -8.290 -0.160 1.00 63.24 O ATOM 344 NE2 GLN A 21 7.581 -6.535 -1.395 1.00 54.33 N ATOM 0 H GLN A 21 4.229 -3.035 0.510 1.00 73.10 H new ATOM 0 HA GLN A 21 3.213 -5.738 1.170 1.00 12.32 H new ATOM 0 HB2 GLN A 21 6.128 -4.888 0.849 1.00 2.23 H new ATOM 0 HB3 GLN A 21 5.655 -6.304 1.767 1.00 2.23 H new ATOM 0 HG2 GLN A 21 4.595 -7.266 -0.297 1.00 21.12 H new ATOM 0 HG3 GLN A 21 5.120 -5.863 -1.206 1.00 21.12 H new ATOM 0 HE21 GLN A 21 7.343 -5.616 -1.767 1.00 54.33 H new ATOM 0 HE22 GLN A 21 8.483 -6.956 -1.616 1.00 54.33 H new ATOM 353 N PHE A 22 3.555 -5.310 3.635 1.00 33.31 N ATOM 354 CA PHE A 22 3.528 -5.006 5.074 1.00 2.12 C ATOM 355 C PHE A 22 4.911 -5.248 5.706 1.00 74.34 C ATOM 356 O PHE A 22 5.651 -6.144 5.282 1.00 3.12 O ATOM 357 CB PHE A 22 2.459 -5.879 5.775 1.00 71.15 C ATOM 358 CG PHE A 22 1.021 -5.522 5.402 1.00 74.41 C ATOM 359 CD1 PHE A 22 0.412 -4.385 5.935 1.00 22.25 C ATOM 360 CD2 PHE A 22 0.281 -6.318 4.526 1.00 31.22 C ATOM 361 CE1 PHE A 22 -0.886 -4.058 5.609 1.00 75.41 C ATOM 362 CE2 PHE A 22 -1.015 -5.987 4.204 1.00 3.22 C ATOM 363 CZ PHE A 22 -1.598 -4.856 4.743 1.00 55.44 C ATOM 0 H PHE A 22 3.184 -6.233 3.410 1.00 33.31 H new ATOM 0 HA PHE A 22 3.272 -3.955 5.204 1.00 2.12 H new ATOM 0 HB2 PHE A 22 2.639 -6.925 5.526 1.00 71.15 H new ATOM 0 HB3 PHE A 22 2.578 -5.783 6.854 1.00 71.15 H new ATOM 0 HD1 PHE A 22 0.966 -3.752 6.613 1.00 22.25 H new ATOM 0 HD2 PHE A 22 0.730 -7.202 4.097 1.00 31.22 H new ATOM 0 HE1 PHE A 22 -1.344 -3.176 6.033 1.00 75.41 H new ATOM 0 HE2 PHE A 22 -1.578 -6.613 3.528 1.00 3.22 H new ATOM 0 HZ PHE A 22 -2.614 -4.598 4.484 1.00 55.44 H new ATOM 373 N ARG A 23 5.247 -4.443 6.726 1.00 5.34 N ATOM 374 CA ARG A 23 6.474 -4.605 7.512 1.00 70.13 C ATOM 375 C ARG A 23 6.209 -4.212 8.969 1.00 74.11 C ATOM 376 O ARG A 23 5.619 -3.162 9.244 1.00 51.22 O ATOM 377 CB ARG A 23 7.646 -3.762 6.938 1.00 1.22 C ATOM 378 CG ARG A 23 9.001 -4.060 7.627 1.00 15.34 C ATOM 379 CD ARG A 23 10.168 -3.230 7.084 1.00 52.34 C ATOM 380 NE ARG A 23 11.451 -3.620 7.705 1.00 3.13 N ATOM 381 CZ ARG A 23 12.046 -2.992 8.740 1.00 64.00 C ATOM 382 NH1 ARG A 23 11.496 -1.916 9.299 1.00 4.33 N ATOM 383 NH2 ARG A 23 13.198 -3.449 9.201 1.00 75.24 N ATOM 0 H ARG A 23 4.670 -3.658 7.028 1.00 5.34 H new ATOM 0 HA ARG A 23 6.768 -5.653 7.460 1.00 70.13 H new ATOM 0 HB2 ARG A 23 7.737 -3.957 5.870 1.00 1.22 H new ATOM 0 HB3 ARG A 23 7.413 -2.703 7.050 1.00 1.22 H new ATOM 0 HG2 ARG A 23 8.902 -3.874 8.697 1.00 15.34 H new ATOM 0 HG3 ARG A 23 9.234 -5.118 7.507 1.00 15.34 H new ATOM 0 HD2 ARG A 23 10.233 -3.357 6.003 1.00 52.34 H new ATOM 0 HD3 ARG A 23 9.980 -2.173 7.270 1.00 52.34 H new ATOM 0 HE ARG A 23 11.928 -4.434 7.318 1.00 3.13 H new ATOM 0 HH11 ARG A 23 10.610 -1.554 8.945 1.00 4.33 H new ATOM 0 HH12 ARG A 23 11.960 -1.454 10.081 1.00 4.33 H new ATOM 0 HH21 ARG A 23 13.629 -4.269 8.774 1.00 75.24 H new ATOM 0 HH22 ARG A 23 13.656 -2.981 9.983 1.00 75.24 H new ATOM 397 N ARG A 24 6.644 -5.076 9.890 1.00 4.51 N ATOM 398 CA ARG A 24 6.529 -4.867 11.331 1.00 71.34 C ATOM 399 C ARG A 24 7.889 -4.432 11.898 1.00 5.42 C ATOM 400 O ARG A 24 8.911 -5.078 11.638 1.00 74.05 O ATOM 401 CB ARG A 24 6.041 -6.171 12.010 1.00 34.12 C ATOM 402 CG ARG A 24 4.603 -6.578 11.616 1.00 61.14 C ATOM 403 CD ARG A 24 4.179 -7.919 12.233 1.00 74.23 C ATOM 404 NE ARG A 24 2.763 -8.223 11.969 1.00 0.31 N ATOM 405 CZ ARG A 24 2.174 -9.413 12.179 1.00 31.12 C ATOM 406 NH1 ARG A 24 2.868 -10.446 12.649 1.00 51.32 N ATOM 407 NH2 ARG A 24 0.883 -9.551 11.932 1.00 31.23 N ATOM 0 H ARG A 24 7.095 -5.958 9.647 1.00 4.51 H new ATOM 0 HA ARG A 24 5.802 -4.080 11.532 1.00 71.34 H new ATOM 0 HB2 ARG A 24 6.722 -6.982 11.751 1.00 34.12 H new ATOM 0 HB3 ARG A 24 6.090 -6.047 13.092 1.00 34.12 H new ATOM 0 HG2 ARG A 24 3.909 -5.800 11.934 1.00 61.14 H new ATOM 0 HG3 ARG A 24 4.532 -6.643 10.530 1.00 61.14 H new ATOM 0 HD2 ARG A 24 4.803 -8.717 11.830 1.00 74.23 H new ATOM 0 HD3 ARG A 24 4.350 -7.893 13.309 1.00 74.23 H new ATOM 0 HE ARG A 24 2.183 -7.471 11.597 1.00 0.31 H new ATOM 0 HH11 ARG A 24 3.861 -10.341 12.855 1.00 51.32 H new ATOM 0 HH12 ARG A 24 2.407 -11.343 12.803 1.00 51.32 H new ATOM 0 HH21 ARG A 24 0.343 -8.759 11.585 1.00 31.23 H new ATOM 0 HH22 ARG A 24 0.427 -10.450 12.088 1.00 31.23 H new ATOM 421 N THR A 25 7.883 -3.320 12.646 1.00 54.52 N ATOM 422 CA THR A 25 9.061 -2.813 13.364 1.00 74.43 C ATOM 423 C THR A 25 8.619 -2.207 14.700 1.00 61.44 C ATOM 424 O THR A 25 7.676 -1.411 14.730 1.00 14.13 O ATOM 425 CB THR A 25 9.875 -1.777 12.514 1.00 12.13 C ATOM 426 OG1 THR A 25 10.985 -1.271 13.278 1.00 74.03 O ATOM 427 CG2 THR A 25 9.023 -0.602 11.995 1.00 23.13 C ATOM 0 H THR A 25 7.052 -2.741 12.771 1.00 54.52 H new ATOM 0 HA THR A 25 9.733 -3.651 13.551 1.00 74.43 H new ATOM 0 HB THR A 25 10.233 -2.317 11.637 1.00 12.13 H new ATOM 0 HG1 THR A 25 11.487 -0.626 12.737 1.00 74.03 H new ATOM 0 HG21 THR A 25 9.651 0.075 11.416 1.00 23.13 H new ATOM 0 HG22 THR A 25 8.222 -0.985 11.362 1.00 23.13 H new ATOM 0 HG23 THR A 25 8.592 -0.064 12.839 1.00 23.13 H new ATOM 435 N GLN A 26 9.280 -2.642 15.803 1.00 72.54 N ATOM 436 CA GLN A 26 9.007 -2.196 17.195 1.00 50.01 C ATOM 437 C GLN A 26 7.638 -2.695 17.733 1.00 34.43 C ATOM 438 O GLN A 26 7.326 -2.487 18.906 1.00 52.21 O ATOM 439 CB GLN A 26 9.115 -0.643 17.337 1.00 14.31 C ATOM 440 CG GLN A 26 10.483 -0.051 16.927 1.00 21.25 C ATOM 441 CD GLN A 26 10.558 1.477 17.070 1.00 62.51 C ATOM 442 OE1 GLN A 26 9.552 2.179 16.942 1.00 1.14 O ATOM 443 NE2 GLN A 26 11.755 2.003 17.296 1.00 73.32 N ATOM 0 H GLN A 26 10.034 -3.327 15.749 1.00 72.54 H new ATOM 0 HA GLN A 26 9.782 -2.655 17.810 1.00 50.01 H new ATOM 0 HB2 GLN A 26 8.337 -0.181 16.729 1.00 14.31 H new ATOM 0 HB3 GLN A 26 8.913 -0.371 18.373 1.00 14.31 H new ATOM 0 HG2 GLN A 26 11.264 -0.504 17.538 1.00 21.25 H new ATOM 0 HG3 GLN A 26 10.691 -0.322 15.892 1.00 21.25 H new ATOM 0 HE21 GLN A 26 12.568 1.396 17.397 1.00 73.32 H new ATOM 0 HE22 GLN A 26 11.862 3.015 17.368 1.00 73.32 H new ATOM 452 N GLY A 27 6.848 -3.383 16.891 1.00 53.51 N ATOM 453 CA GLY A 27 5.462 -3.740 17.215 1.00 73.13 C ATOM 454 C GLY A 27 4.442 -2.860 16.493 1.00 21.42 C ATOM 455 O GLY A 27 3.248 -2.917 16.779 1.00 15.40 O ATOM 0 H GLY A 27 7.153 -3.704 15.972 1.00 53.51 H new ATOM 0 HA2 GLY A 27 5.288 -4.783 16.950 1.00 73.13 H new ATOM 0 HA3 GLY A 27 5.311 -3.655 18.291 1.00 73.13 H new ATOM 459 N LYS A 28 4.929 -2.049 15.542 1.00 2.22 N ATOM 460 CA LYS A 28 4.097 -1.211 14.650 1.00 25.13 C ATOM 461 C LYS A 28 3.979 -1.910 13.288 1.00 15.03 C ATOM 462 O LYS A 28 4.869 -2.680 12.914 1.00 41.00 O ATOM 463 CB LYS A 28 4.764 0.173 14.436 1.00 13.31 C ATOM 464 CG LYS A 28 5.058 0.979 15.718 1.00 71.53 C ATOM 465 CD LYS A 28 5.975 2.199 15.437 1.00 44.04 C ATOM 466 CE LYS A 28 6.210 3.083 16.676 1.00 45.35 C ATOM 467 NZ LYS A 28 6.811 2.326 17.810 1.00 34.55 N ATOM 0 H LYS A 28 5.929 -1.952 15.364 1.00 2.22 H new ATOM 0 HA LYS A 28 3.115 -1.072 15.103 1.00 25.13 H new ATOM 0 HB2 LYS A 28 5.701 0.025 13.899 1.00 13.31 H new ATOM 0 HB3 LYS A 28 4.119 0.771 13.793 1.00 13.31 H new ATOM 0 HG2 LYS A 28 4.120 1.323 16.154 1.00 71.53 H new ATOM 0 HG3 LYS A 28 5.533 0.330 16.454 1.00 71.53 H new ATOM 0 HD2 LYS A 28 6.936 1.844 15.065 1.00 44.04 H new ATOM 0 HD3 LYS A 28 5.531 2.804 14.647 1.00 44.04 H new ATOM 0 HE2 LYS A 28 6.866 3.912 16.408 1.00 45.35 H new ATOM 0 HE3 LYS A 28 5.262 3.517 16.994 1.00 45.35 H new ATOM 0 HZ1 LYS A 28 6.809 2.920 18.664 1.00 34.55 H new ATOM 0 HZ2 LYS A 28 6.255 1.465 17.986 1.00 34.55 H new ATOM 0 HZ3 LYS A 28 7.789 2.064 17.573 1.00 34.55 H new ATOM 481 N ILE A 29 2.897 -1.628 12.548 1.00 31.43 N ATOM 482 CA ILE A 29 2.696 -2.155 11.181 1.00 55.41 C ATOM 483 C ILE A 29 2.737 -0.984 10.166 1.00 14.15 C ATOM 484 O ILE A 29 2.154 0.084 10.400 1.00 31.51 O ATOM 485 CB ILE A 29 1.350 -2.989 11.071 1.00 32.22 C ATOM 486 CG1 ILE A 29 1.202 -3.659 9.660 1.00 1.11 C ATOM 487 CG2 ILE A 29 0.105 -2.141 11.423 1.00 12.20 C ATOM 488 CD1 ILE A 29 2.292 -4.668 9.328 1.00 52.33 C ATOM 0 H ILE A 29 2.137 -1.031 12.874 1.00 31.43 H new ATOM 0 HA ILE A 29 3.505 -2.847 10.945 1.00 55.41 H new ATOM 0 HB ILE A 29 1.413 -3.785 11.813 1.00 32.22 H new ATOM 0 HG12 ILE A 29 0.234 -4.157 9.607 1.00 1.11 H new ATOM 0 HG13 ILE A 29 1.201 -2.879 8.899 1.00 1.11 H new ATOM 0 HG21 ILE A 29 -0.791 -2.755 11.333 1.00 12.20 H new ATOM 0 HG22 ILE A 29 0.192 -1.774 12.446 1.00 12.20 H new ATOM 0 HG23 ILE A 29 0.035 -1.296 10.739 1.00 12.20 H new ATOM 0 HD11 ILE A 29 2.114 -5.083 8.336 1.00 52.33 H new ATOM 0 HD12 ILE A 29 3.263 -4.173 9.345 1.00 52.33 H new ATOM 0 HD13 ILE A 29 2.281 -5.471 10.065 1.00 52.33 H new ATOM 500 N PHE A 30 3.493 -1.180 9.076 1.00 15.00 N ATOM 501 CA PHE A 30 3.678 -0.191 7.998 1.00 2.44 C ATOM 502 C PHE A 30 3.361 -0.852 6.653 1.00 11.00 C ATOM 503 O PHE A 30 3.696 -2.021 6.448 1.00 1.44 O ATOM 504 CB PHE A 30 5.147 0.334 7.978 1.00 72.01 C ATOM 505 CG PHE A 30 5.519 1.244 9.153 1.00 41.02 C ATOM 506 CD1 PHE A 30 5.822 0.716 10.409 1.00 73.03 C ATOM 507 CD2 PHE A 30 5.567 2.627 8.996 1.00 54.34 C ATOM 508 CE1 PHE A 30 6.157 1.545 11.459 1.00 31.15 C ATOM 509 CE2 PHE A 30 5.905 3.452 10.048 1.00 5.42 C ATOM 510 CZ PHE A 30 6.200 2.910 11.280 1.00 70.23 C ATOM 0 H PHE A 30 4.004 -2.047 8.914 1.00 15.00 H new ATOM 0 HA PHE A 30 3.008 0.651 8.174 1.00 2.44 H new ATOM 0 HB2 PHE A 30 5.824 -0.521 7.970 1.00 72.01 H new ATOM 0 HB3 PHE A 30 5.311 0.879 7.048 1.00 72.01 H new ATOM 0 HD1 PHE A 30 5.794 -0.353 10.560 1.00 73.03 H new ATOM 0 HD2 PHE A 30 5.336 3.061 8.034 1.00 54.34 H new ATOM 0 HE1 PHE A 30 6.387 1.122 12.426 1.00 31.15 H new ATOM 0 HE2 PHE A 30 5.938 4.522 9.906 1.00 5.42 H new ATOM 0 HZ PHE A 30 6.465 3.555 12.105 1.00 70.23 H new ATOM 520 N LEU A 31 2.718 -0.106 5.742 1.00 22.21 N ATOM 521 CA LEU A 31 2.516 -0.543 4.356 1.00 64.42 C ATOM 522 C LEU A 31 3.545 0.166 3.457 1.00 14.15 C ATOM 523 O LEU A 31 3.378 1.335 3.111 1.00 0.42 O ATOM 524 CB LEU A 31 1.069 -0.257 3.871 1.00 61.22 C ATOM 525 CG LEU A 31 0.735 -0.814 2.447 1.00 74.21 C ATOM 526 CD1 LEU A 31 0.876 -2.351 2.412 1.00 65.12 C ATOM 527 CD2 LEU A 31 -0.660 -0.364 1.970 1.00 55.05 C ATOM 0 H LEU A 31 2.326 0.813 5.946 1.00 22.21 H new ATOM 0 HA LEU A 31 2.660 -1.622 4.301 1.00 64.42 H new ATOM 0 HB2 LEU A 31 0.369 -0.686 4.588 1.00 61.22 H new ATOM 0 HB3 LEU A 31 0.906 0.821 3.872 1.00 61.22 H new ATOM 0 HG LEU A 31 1.460 -0.394 1.749 1.00 74.21 H new ATOM 0 HD11 LEU A 31 0.639 -2.715 1.412 1.00 65.12 H new ATOM 0 HD12 LEU A 31 1.899 -2.628 2.666 1.00 65.12 H new ATOM 0 HD13 LEU A 31 0.190 -2.796 3.133 1.00 65.12 H new ATOM 0 HD21 LEU A 31 -0.854 -0.771 0.978 1.00 55.05 H new ATOM 0 HD22 LEU A 31 -1.417 -0.727 2.666 1.00 55.05 H new ATOM 0 HD23 LEU A 31 -0.697 0.725 1.929 1.00 55.05 H new ATOM 539 N GLN A 32 4.620 -0.548 3.109 1.00 21.03 N ATOM 540 CA GLN A 32 5.708 -0.020 2.280 1.00 44.10 C ATOM 541 C GLN A 32 5.387 -0.208 0.793 1.00 33.32 C ATOM 542 O GLN A 32 5.395 -1.337 0.278 1.00 71.02 O ATOM 543 CB GLN A 32 7.052 -0.708 2.629 1.00 52.31 C ATOM 544 CG GLN A 32 7.491 -0.526 4.094 1.00 3.12 C ATOM 545 CD GLN A 32 8.926 -0.977 4.367 1.00 61.13 C ATOM 546 OE1 GLN A 32 9.437 -1.900 3.736 1.00 32.03 O ATOM 547 NE2 GLN A 32 9.588 -0.315 5.303 1.00 65.15 N ATOM 0 H GLN A 32 4.761 -1.516 3.397 1.00 21.03 H new ATOM 0 HA GLN A 32 5.805 1.046 2.486 1.00 44.10 H new ATOM 0 HB2 GLN A 32 6.968 -1.774 2.416 1.00 52.31 H new ATOM 0 HB3 GLN A 32 7.830 -0.313 1.976 1.00 52.31 H new ATOM 0 HG2 GLN A 32 7.392 0.525 4.366 1.00 3.12 H new ATOM 0 HG3 GLN A 32 6.815 -1.087 4.739 1.00 3.12 H new ATOM 0 HE21 GLN A 32 9.133 0.446 5.808 1.00 65.15 H new ATOM 0 HE22 GLN A 32 10.553 -0.566 5.520 1.00 65.15 H new ATOM 556 N VAL A 33 5.059 0.910 0.137 1.00 13.22 N ATOM 557 CA VAL A 33 4.898 0.969 -1.313 1.00 3.11 C ATOM 558 C VAL A 33 6.288 0.884 -1.970 1.00 52.22 C ATOM 559 O VAL A 33 7.097 1.820 -1.858 1.00 42.42 O ATOM 560 CB VAL A 33 4.174 2.291 -1.773 1.00 61.23 C ATOM 561 CG1 VAL A 33 3.917 2.293 -3.302 1.00 51.53 C ATOM 562 CG2 VAL A 33 2.858 2.527 -0.981 1.00 2.34 C ATOM 0 H VAL A 33 4.898 1.803 0.603 1.00 13.22 H new ATOM 0 HA VAL A 33 4.274 0.131 -1.623 1.00 3.11 H new ATOM 0 HB VAL A 33 4.844 3.121 -1.549 1.00 61.23 H new ATOM 0 HG11 VAL A 33 3.416 3.219 -3.586 1.00 51.53 H new ATOM 0 HG12 VAL A 33 4.867 2.218 -3.831 1.00 51.53 H new ATOM 0 HG13 VAL A 33 3.286 1.444 -3.566 1.00 51.53 H new ATOM 0 HG21 VAL A 33 2.386 3.447 -1.325 1.00 2.34 H new ATOM 0 HG22 VAL A 33 2.180 1.689 -1.144 1.00 2.34 H new ATOM 0 HG23 VAL A 33 3.083 2.610 0.082 1.00 2.34 H new ATOM 572 N MET A 34 6.566 -0.272 -2.589 1.00 52.31 N ATOM 573 CA MET A 34 7.791 -0.511 -3.366 1.00 23.24 C ATOM 574 C MET A 34 7.815 0.368 -4.627 1.00 32.24 C ATOM 575 O MET A 34 6.768 0.744 -5.154 1.00 3.14 O ATOM 576 CB MET A 34 7.896 -2.013 -3.764 1.00 72.12 C ATOM 577 CG MET A 34 7.987 -3.020 -2.592 1.00 3.31 C ATOM 578 SD MET A 34 9.584 -2.995 -1.722 1.00 4.45 S ATOM 579 CE MET A 34 9.348 -1.754 -0.446 1.00 52.24 C ATOM 0 H MET A 34 5.940 -1.077 -2.564 1.00 52.31 H new ATOM 0 HA MET A 34 8.646 -0.249 -2.742 1.00 23.24 H new ATOM 0 HB2 MET A 34 7.027 -2.269 -4.371 1.00 72.12 H new ATOM 0 HB3 MET A 34 8.775 -2.141 -4.396 1.00 72.12 H new ATOM 0 HG2 MET A 34 7.192 -2.805 -1.878 1.00 3.31 H new ATOM 0 HG3 MET A 34 7.808 -4.025 -2.974 1.00 3.31 H new ATOM 0 HE1 MET A 34 10.195 -1.068 -0.445 1.00 52.24 H new ATOM 0 HE2 MET A 34 8.431 -1.199 -0.644 1.00 52.24 H new ATOM 0 HE3 MET A 34 9.275 -2.241 0.526 1.00 52.24 H new ATOM 589 N TRP A 35 9.033 0.660 -5.100 1.00 44.23 N ATOM 590 CA TRP A 35 9.278 1.449 -6.329 1.00 65.53 C ATOM 591 C TRP A 35 9.110 0.595 -7.600 1.00 23.44 C ATOM 592 O TRP A 35 9.199 1.110 -8.717 1.00 11.25 O ATOM 593 CB TRP A 35 10.687 2.096 -6.269 1.00 63.34 C ATOM 594 CG TRP A 35 11.816 1.143 -5.916 1.00 71.31 C ATOM 595 CD1 TRP A 35 12.604 0.424 -6.775 1.00 24.15 C ATOM 596 CD2 TRP A 35 12.278 0.821 -4.589 1.00 14.12 C ATOM 597 NE1 TRP A 35 13.522 -0.310 -6.066 1.00 11.31 N ATOM 598 CE2 TRP A 35 13.340 -0.084 -4.725 1.00 62.42 C ATOM 599 CE3 TRP A 35 11.889 1.219 -3.302 1.00 72.21 C ATOM 600 CZ2 TRP A 35 14.022 -0.599 -3.629 1.00 22.31 C ATOM 601 CZ3 TRP A 35 12.564 0.705 -2.213 1.00 20.13 C ATOM 602 CH2 TRP A 35 13.626 -0.191 -2.383 1.00 31.12 C ATOM 0 H TRP A 35 9.891 0.355 -4.640 1.00 44.23 H new ATOM 0 HA TRP A 35 8.530 2.240 -6.380 1.00 65.53 H new ATOM 0 HB2 TRP A 35 10.904 2.550 -7.236 1.00 63.34 H new ATOM 0 HB3 TRP A 35 10.669 2.902 -5.536 1.00 63.34 H new ATOM 0 HD1 TRP A 35 12.516 0.433 -7.851 1.00 24.15 H new ATOM 0 HE1 TRP A 35 14.227 -0.925 -6.471 1.00 11.31 H new ATOM 0 HE3 TRP A 35 11.075 1.916 -3.165 1.00 72.21 H new ATOM 0 HZ2 TRP A 35 14.836 -1.297 -3.756 1.00 22.31 H new ATOM 0 HZ3 TRP A 35 12.269 0.998 -1.216 1.00 20.13 H new ATOM 0 HH2 TRP A 35 14.144 -0.568 -1.514 1.00 31.12 H new ATOM 613 N LYS A 36 8.874 -0.711 -7.410 1.00 35.43 N ATOM 614 CA LYS A 36 8.649 -1.661 -8.500 1.00 32.24 C ATOM 615 C LYS A 36 7.154 -1.700 -8.830 1.00 53.41 C ATOM 616 O LYS A 36 6.316 -1.772 -7.927 1.00 61.42 O ATOM 617 CB LYS A 36 9.183 -3.056 -8.094 1.00 31.41 C ATOM 618 CG LYS A 36 10.682 -3.033 -7.724 1.00 24.32 C ATOM 619 CD LYS A 36 11.235 -4.421 -7.340 1.00 60.13 C ATOM 620 CE LYS A 36 12.749 -4.390 -7.074 1.00 31.44 C ATOM 621 NZ LYS A 36 13.308 -5.744 -6.827 1.00 20.42 N ATOM 0 H LYS A 36 8.834 -1.138 -6.485 1.00 35.43 H new ATOM 0 HA LYS A 36 9.188 -1.348 -9.394 1.00 32.24 H new ATOM 0 HB2 LYS A 36 8.609 -3.428 -7.246 1.00 31.41 H new ATOM 0 HB3 LYS A 36 9.026 -3.754 -8.916 1.00 31.41 H new ATOM 0 HG2 LYS A 36 11.252 -2.643 -8.567 1.00 24.32 H new ATOM 0 HG3 LYS A 36 10.834 -2.346 -6.892 1.00 24.32 H new ATOM 0 HD2 LYS A 36 10.719 -4.782 -6.451 1.00 60.13 H new ATOM 0 HD3 LYS A 36 11.023 -5.129 -8.141 1.00 60.13 H new ATOM 0 HE2 LYS A 36 13.256 -3.941 -7.928 1.00 31.44 H new ATOM 0 HE3 LYS A 36 12.951 -3.754 -6.212 1.00 31.44 H new ATOM 0 HZ1 LYS A 36 14.331 -5.671 -6.653 1.00 20.42 H new ATOM 0 HZ2 LYS A 36 12.845 -6.165 -5.996 1.00 20.42 H new ATOM 0 HZ3 LYS A 36 13.140 -6.346 -7.659 1.00 20.42 H new ATOM 635 N TYR A 37 6.845 -1.645 -10.125 1.00 44.41 N ATOM 636 CA TYR A 37 5.468 -1.558 -10.644 1.00 50.00 C ATOM 637 C TYR A 37 5.273 -2.563 -11.788 1.00 43.31 C ATOM 638 O TYR A 37 6.250 -2.976 -12.412 1.00 2.50 O ATOM 639 CB TYR A 37 5.145 -0.097 -11.083 1.00 55.32 C ATOM 640 CG TYR A 37 6.252 0.632 -11.874 1.00 74.40 C ATOM 641 CD1 TYR A 37 6.316 0.579 -13.261 1.00 41.20 C ATOM 642 CD2 TYR A 37 7.218 1.393 -11.220 1.00 11.24 C ATOM 643 CE1 TYR A 37 7.296 1.255 -13.963 1.00 11.22 C ATOM 644 CE2 TYR A 37 8.194 2.073 -11.910 1.00 1.13 C ATOM 645 CZ TYR A 37 8.229 2.004 -13.281 1.00 60.24 C ATOM 646 OH TYR A 37 9.207 2.683 -13.971 1.00 24.01 O ATOM 0 H TYR A 37 7.552 -1.659 -10.860 1.00 44.41 H new ATOM 0 HA TYR A 37 4.765 -1.820 -9.853 1.00 50.00 H new ATOM 0 HB2 TYR A 37 4.241 -0.113 -11.692 1.00 55.32 H new ATOM 0 HB3 TYR A 37 4.918 0.487 -10.191 1.00 55.32 H new ATOM 0 HD1 TYR A 37 5.584 -0.003 -13.802 1.00 41.20 H new ATOM 0 HD2 TYR A 37 7.200 1.451 -10.142 1.00 11.24 H new ATOM 0 HE1 TYR A 37 7.330 1.196 -15.041 1.00 11.22 H new ATOM 0 HE2 TYR A 37 8.929 2.658 -11.377 1.00 1.13 H new ATOM 0 HH TYR A 37 9.782 3.162 -13.338 1.00 24.01 H new ATOM 656 N LEU A 38 4.005 -2.950 -12.061 1.00 75.02 N ATOM 657 CA LEU A 38 3.668 -4.018 -13.038 1.00 34.41 C ATOM 658 C LEU A 38 4.057 -3.627 -14.488 1.00 12.43 C ATOM 659 O LEU A 38 4.202 -4.495 -15.352 1.00 74.31 O ATOM 660 CB LEU A 38 2.153 -4.382 -12.958 1.00 55.34 C ATOM 661 CG LEU A 38 1.689 -5.589 -13.854 1.00 15.02 C ATOM 662 CD1 LEU A 38 2.326 -6.919 -13.404 1.00 2.35 C ATOM 663 CD2 LEU A 38 0.159 -5.705 -13.913 1.00 62.22 C ATOM 0 H LEU A 38 3.188 -2.534 -11.614 1.00 75.02 H new ATOM 0 HA LEU A 38 4.256 -4.896 -12.769 1.00 34.41 H new ATOM 0 HB2 LEU A 38 1.908 -4.609 -11.921 1.00 55.34 H new ATOM 0 HB3 LEU A 38 1.572 -3.503 -13.237 1.00 55.34 H new ATOM 0 HG LEU A 38 2.043 -5.379 -14.863 1.00 15.02 H new ATOM 0 HD11 LEU A 38 1.979 -7.726 -14.050 1.00 2.35 H new ATOM 0 HD12 LEU A 38 3.411 -6.843 -13.470 1.00 2.35 H new ATOM 0 HD13 LEU A 38 2.039 -7.130 -12.374 1.00 2.35 H new ATOM 0 HD21 LEU A 38 -0.118 -6.551 -14.542 1.00 62.22 H new ATOM 0 HD22 LEU A 38 -0.233 -5.857 -12.907 1.00 62.22 H new ATOM 0 HD23 LEU A 38 -0.259 -4.790 -14.331 1.00 62.22 H new ATOM 675 N GLU A 39 4.247 -2.316 -14.739 1.00 31.01 N ATOM 676 CA GLU A 39 4.649 -1.795 -16.057 1.00 32.31 C ATOM 677 C GLU A 39 6.145 -2.105 -16.342 1.00 4.12 C ATOM 678 O GLU A 39 6.595 -2.015 -17.490 1.00 23.05 O ATOM 679 CB GLU A 39 4.354 -0.269 -16.167 1.00 42.51 C ATOM 680 CG GLU A 39 2.853 0.148 -16.022 1.00 22.11 C ATOM 681 CD GLU A 39 2.293 0.316 -14.582 1.00 2.32 C ATOM 682 OE1 GLU A 39 2.968 -0.011 -13.591 1.00 21.23 O ATOM 683 OE2 GLU A 39 1.151 0.806 -14.441 1.00 44.13 O ATOM 0 H GLU A 39 4.126 -1.590 -14.032 1.00 31.01 H new ATOM 0 HA GLU A 39 4.055 -2.301 -16.818 1.00 32.31 H new ATOM 0 HB2 GLU A 39 4.931 0.249 -15.401 1.00 42.51 H new ATOM 0 HB3 GLU A 39 4.717 0.083 -17.132 1.00 42.51 H new ATOM 0 HG2 GLU A 39 2.713 1.091 -16.550 1.00 22.11 H new ATOM 0 HG3 GLU A 39 2.245 -0.598 -16.535 1.00 22.11 H new ATOM 690 N GLN A 40 6.905 -2.453 -15.276 1.00 41.25 N ATOM 691 CA GLN A 40 8.270 -3.010 -15.391 1.00 45.12 C ATOM 692 C GLN A 40 8.210 -4.435 -15.966 1.00 14.12 C ATOM 693 O GLN A 40 7.370 -5.243 -15.548 1.00 1.43 O ATOM 694 CB GLN A 40 9.005 -3.032 -14.010 1.00 51.34 C ATOM 695 CG GLN A 40 9.542 -1.671 -13.520 1.00 32.43 C ATOM 696 CD GLN A 40 10.690 -1.121 -14.387 1.00 13.24 C ATOM 697 OE1 GLN A 40 11.453 -1.878 -14.986 1.00 53.31 O ATOM 698 NE2 GLN A 40 10.833 0.194 -14.448 1.00 41.45 N ATOM 0 H GLN A 40 6.586 -2.354 -14.312 1.00 41.25 H new ATOM 0 HA GLN A 40 8.834 -2.364 -16.063 1.00 45.12 H new ATOM 0 HB2 GLN A 40 8.318 -3.423 -13.259 1.00 51.34 H new ATOM 0 HB3 GLN A 40 9.840 -3.730 -14.074 1.00 51.34 H new ATOM 0 HG2 GLN A 40 8.726 -0.949 -13.510 1.00 32.43 H new ATOM 0 HG3 GLN A 40 9.890 -1.774 -12.492 1.00 32.43 H new ATOM 0 HE21 GLN A 40 10.188 0.801 -13.943 1.00 41.45 H new ATOM 0 HE22 GLN A 40 11.588 0.600 -15.000 1.00 41.45 H new ATOM 707 N ALA A 41 9.130 -4.727 -16.902 1.00 32.20 N ATOM 708 CA ALA A 41 9.227 -6.035 -17.582 1.00 34.42 C ATOM 709 C ALA A 41 9.601 -7.159 -16.594 1.00 51.32 C ATOM 710 O ALA A 41 9.085 -8.274 -16.687 1.00 11.14 O ATOM 711 CB ALA A 41 10.253 -5.957 -18.735 1.00 61.11 C ATOM 0 H ALA A 41 9.834 -4.057 -17.212 1.00 32.20 H new ATOM 0 HA ALA A 41 8.248 -6.276 -17.995 1.00 34.42 H new ATOM 0 HB1 ALA A 41 10.318 -6.926 -19.230 1.00 61.11 H new ATOM 0 HB2 ALA A 41 9.935 -5.202 -19.454 1.00 61.11 H new ATOM 0 HB3 ALA A 41 11.231 -5.688 -18.335 1.00 61.11 H new ATOM 717 N SER A 42 10.467 -6.826 -15.622 1.00 21.52 N ATOM 718 CA SER A 42 11.018 -7.785 -14.640 1.00 65.54 C ATOM 719 C SER A 42 10.243 -7.743 -13.305 1.00 75.52 C ATOM 720 O SER A 42 10.840 -7.826 -12.223 1.00 23.12 O ATOM 721 CB SER A 42 12.516 -7.469 -14.416 1.00 3.03 C ATOM 722 OG SER A 42 13.247 -7.563 -15.621 1.00 22.31 O ATOM 0 H SER A 42 10.810 -5.874 -15.492 1.00 21.52 H new ATOM 0 HA SER A 42 10.910 -8.795 -15.036 1.00 65.54 H new ATOM 0 HB2 SER A 42 12.620 -6.466 -14.002 1.00 3.03 H new ATOM 0 HB3 SER A 42 12.930 -8.161 -13.682 1.00 3.03 H new ATOM 0 HG SER A 42 14.189 -7.356 -15.449 1.00 22.31 H new ATOM 728 N PHE A 43 8.904 -7.633 -13.381 1.00 71.33 N ATOM 729 CA PHE A 43 8.041 -7.644 -12.188 1.00 24.21 C ATOM 730 C PHE A 43 7.787 -9.117 -11.726 1.00 62.04 C ATOM 731 O PHE A 43 7.405 -9.954 -12.552 1.00 63.23 O ATOM 732 CB PHE A 43 6.711 -6.892 -12.477 1.00 2.50 C ATOM 733 CG PHE A 43 5.976 -6.461 -11.206 1.00 24.01 C ATOM 734 CD1 PHE A 43 6.533 -5.493 -10.370 1.00 41.54 C ATOM 735 CD2 PHE A 43 4.755 -7.016 -10.842 1.00 34.34 C ATOM 736 CE1 PHE A 43 5.891 -5.096 -9.221 1.00 23.04 C ATOM 737 CE2 PHE A 43 4.114 -6.613 -9.694 1.00 33.31 C ATOM 738 CZ PHE A 43 4.679 -5.652 -8.882 1.00 52.33 C ATOM 0 H PHE A 43 8.396 -7.535 -14.260 1.00 71.33 H new ATOM 0 HA PHE A 43 8.542 -7.121 -11.374 1.00 24.21 H new ATOM 0 HB2 PHE A 43 6.923 -6.011 -13.083 1.00 2.50 H new ATOM 0 HB3 PHE A 43 6.058 -7.535 -13.067 1.00 2.50 H new ATOM 0 HD1 PHE A 43 7.483 -5.049 -10.629 1.00 41.54 H new ATOM 0 HD2 PHE A 43 4.304 -7.772 -11.468 1.00 34.34 H new ATOM 0 HE1 PHE A 43 6.338 -4.347 -8.584 1.00 23.04 H new ATOM 0 HE2 PHE A 43 3.164 -7.051 -9.427 1.00 33.31 H new ATOM 0 HZ PHE A 43 4.171 -5.337 -7.982 1.00 52.33 H new ATOM 748 N PRO A 44 7.995 -9.451 -10.392 1.00 44.21 N ATOM 749 CA PRO A 44 7.941 -10.860 -9.873 1.00 1.23 C ATOM 750 C PRO A 44 6.523 -11.483 -9.838 1.00 64.22 C ATOM 751 O PRO A 44 6.373 -12.673 -9.522 1.00 14.23 O ATOM 752 CB PRO A 44 8.522 -10.712 -8.441 1.00 12.54 C ATOM 753 CG PRO A 44 8.163 -9.313 -8.036 1.00 70.24 C ATOM 754 CD PRO A 44 8.317 -8.486 -9.295 1.00 51.41 C ATOM 0 HA PRO A 44 8.488 -11.543 -10.522 1.00 1.23 H new ATOM 0 HB2 PRO A 44 8.092 -11.446 -7.760 1.00 12.54 H new ATOM 0 HB3 PRO A 44 9.601 -10.864 -8.432 1.00 12.54 H new ATOM 0 HG2 PRO A 44 7.144 -9.263 -7.654 1.00 70.24 H new ATOM 0 HG3 PRO A 44 8.819 -8.951 -7.244 1.00 70.24 H new ATOM 0 HD2 PRO A 44 7.639 -7.633 -9.300 1.00 51.41 H new ATOM 0 HD3 PRO A 44 9.328 -8.090 -9.393 1.00 51.41 H new ATOM 762 N MET A 45 5.489 -10.674 -10.128 1.00 34.30 N ATOM 763 CA MET A 45 4.086 -11.136 -10.186 1.00 45.12 C ATOM 764 C MET A 45 3.497 -10.848 -11.575 1.00 24.41 C ATOM 765 O MET A 45 3.814 -9.825 -12.196 1.00 52.34 O ATOM 766 CB MET A 45 3.222 -10.449 -9.081 1.00 53.42 C ATOM 767 CG MET A 45 3.610 -10.818 -7.638 1.00 73.41 C ATOM 768 SD MET A 45 2.607 -9.980 -6.391 1.00 13.34 S ATOM 769 CE MET A 45 3.119 -8.277 -6.609 1.00 33.41 C ATOM 0 H MET A 45 5.600 -9.680 -10.329 1.00 34.30 H new ATOM 0 HA MET A 45 4.072 -12.211 -10.006 1.00 45.12 H new ATOM 0 HB2 MET A 45 3.299 -9.368 -9.198 1.00 53.42 H new ATOM 0 HB3 MET A 45 2.176 -10.713 -9.240 1.00 53.42 H new ATOM 0 HG2 MET A 45 3.513 -11.896 -7.508 1.00 73.41 H new ATOM 0 HG3 MET A 45 4.659 -10.570 -7.477 1.00 73.41 H new ATOM 0 HE1 MET A 45 2.706 -7.667 -5.805 1.00 33.41 H new ATOM 0 HE2 MET A 45 4.207 -8.219 -6.587 1.00 33.41 H new ATOM 0 HE3 MET A 45 2.755 -7.908 -7.568 1.00 33.41 H new ATOM 779 N ASN A 46 2.641 -11.762 -12.052 1.00 32.50 N ATOM 780 CA ASN A 46 1.858 -11.563 -13.290 1.00 74.44 C ATOM 781 C ASN A 46 0.674 -10.618 -13.016 1.00 44.04 C ATOM 782 O ASN A 46 0.451 -10.226 -11.872 1.00 22.20 O ATOM 783 CB ASN A 46 1.379 -12.924 -13.859 1.00 3.33 C ATOM 784 CG ASN A 46 2.518 -13.742 -14.473 1.00 1.22 C ATOM 785 OD1 ASN A 46 2.807 -13.618 -15.661 1.00 3.43 O ATOM 786 ND2 ASN A 46 3.187 -14.561 -13.675 1.00 33.13 N ATOM 0 H ASN A 46 2.469 -12.658 -11.596 1.00 32.50 H new ATOM 0 HA ASN A 46 2.495 -11.100 -14.044 1.00 74.44 H new ATOM 0 HB2 ASN A 46 0.911 -13.502 -13.062 1.00 3.33 H new ATOM 0 HB3 ASN A 46 0.615 -12.748 -14.616 1.00 3.33 H new ATOM 0 HD21 ASN A 46 3.965 -15.109 -14.043 1.00 33.13 H new ATOM 0 HD22 ASN A 46 2.924 -14.643 -12.693 1.00 33.13 H new ATOM 793 N GLU A 47 -0.078 -10.272 -14.072 1.00 64.22 N ATOM 794 CA GLU A 47 -1.142 -9.248 -14.022 1.00 60.51 C ATOM 795 C GLU A 47 -2.239 -9.591 -12.987 1.00 0.14 C ATOM 796 O GLU A 47 -2.616 -8.739 -12.167 1.00 20.32 O ATOM 797 CB GLU A 47 -1.755 -9.076 -15.432 1.00 14.22 C ATOM 798 CG GLU A 47 -0.748 -8.619 -16.511 1.00 23.43 C ATOM 799 CD GLU A 47 -1.374 -8.510 -17.914 1.00 61.20 C ATOM 800 OE1 GLU A 47 -2.035 -7.491 -18.205 1.00 50.45 O ATOM 801 OE2 GLU A 47 -1.225 -9.444 -18.728 1.00 62.11 O ATOM 0 H GLU A 47 0.033 -10.696 -14.993 1.00 64.22 H new ATOM 0 HA GLU A 47 -0.692 -8.309 -13.699 1.00 60.51 H new ATOM 0 HB2 GLU A 47 -2.197 -10.023 -15.742 1.00 14.22 H new ATOM 0 HB3 GLU A 47 -2.566 -8.349 -15.377 1.00 14.22 H new ATOM 0 HG2 GLU A 47 -0.335 -7.651 -16.228 1.00 23.43 H new ATOM 0 HG3 GLU A 47 0.084 -9.323 -16.544 1.00 23.43 H new ATOM 808 N THR A 48 -2.712 -10.850 -13.013 1.00 15.54 N ATOM 809 CA THR A 48 -3.758 -11.332 -12.099 1.00 45.31 C ATOM 810 C THR A 48 -3.209 -11.476 -10.664 1.00 33.13 C ATOM 811 O THR A 48 -3.832 -10.997 -9.720 1.00 14.24 O ATOM 812 CB THR A 48 -4.357 -12.695 -12.582 1.00 54.13 C ATOM 813 OG1 THR A 48 -4.720 -12.601 -13.967 1.00 75.03 O ATOM 814 CG2 THR A 48 -5.606 -13.100 -11.771 1.00 0.22 C ATOM 0 H THR A 48 -2.380 -11.559 -13.667 1.00 15.54 H new ATOM 0 HA THR A 48 -4.556 -10.590 -12.099 1.00 45.31 H new ATOM 0 HB THR A 48 -3.590 -13.455 -12.434 1.00 54.13 H new ATOM 0 HG1 THR A 48 -5.093 -13.456 -14.266 1.00 75.03 H new ATOM 0 HG21 THR A 48 -5.987 -14.052 -12.141 1.00 0.22 H new ATOM 0 HG22 THR A 48 -5.340 -13.200 -10.719 1.00 0.22 H new ATOM 0 HG23 THR A 48 -6.374 -12.334 -11.879 1.00 0.22 H new ATOM 822 N GLU A 49 -2.008 -12.101 -10.537 1.00 4.03 N ATOM 823 CA GLU A 49 -1.360 -12.393 -9.229 1.00 71.03 C ATOM 824 C GLU A 49 -1.086 -11.105 -8.445 1.00 71.23 C ATOM 825 O GLU A 49 -1.256 -11.066 -7.225 1.00 5.32 O ATOM 826 CB GLU A 49 -0.029 -13.160 -9.422 1.00 41.25 C ATOM 827 CG GLU A 49 -0.153 -14.452 -10.240 1.00 22.43 C ATOM 828 CD GLU A 49 1.154 -15.252 -10.260 1.00 23.23 C ATOM 829 OE1 GLU A 49 2.170 -14.729 -10.779 1.00 11.24 O ATOM 830 OE2 GLU A 49 1.186 -16.389 -9.731 1.00 50.54 O ATOM 0 H GLU A 49 -1.462 -12.417 -11.338 1.00 4.03 H new ATOM 0 HA GLU A 49 -2.054 -13.015 -8.664 1.00 71.03 H new ATOM 0 HB2 GLU A 49 0.688 -12.501 -9.913 1.00 41.25 H new ATOM 0 HB3 GLU A 49 0.381 -13.403 -8.442 1.00 41.25 H new ATOM 0 HG2 GLU A 49 -0.949 -15.069 -9.823 1.00 22.43 H new ATOM 0 HG3 GLU A 49 -0.443 -14.207 -11.262 1.00 22.43 H new ATOM 837 N TYR A 50 -0.662 -10.068 -9.189 1.00 2.42 N ATOM 838 CA TYR A 50 -0.406 -8.720 -8.665 1.00 64.04 C ATOM 839 C TYR A 50 -1.698 -8.115 -8.077 1.00 41.23 C ATOM 840 O TYR A 50 -1.670 -7.505 -7.006 1.00 20.43 O ATOM 841 CB TYR A 50 0.190 -7.805 -9.790 1.00 2.12 C ATOM 842 CG TYR A 50 0.139 -6.302 -9.465 1.00 3.31 C ATOM 843 CD1 TYR A 50 0.900 -5.765 -8.422 1.00 24.31 C ATOM 844 CD2 TYR A 50 -0.723 -5.450 -10.155 1.00 35.34 C ATOM 845 CE1 TYR A 50 0.793 -4.444 -8.075 1.00 51.20 C ATOM 846 CE2 TYR A 50 -0.817 -4.127 -9.823 1.00 44.34 C ATOM 847 CZ TYR A 50 -0.062 -3.630 -8.778 1.00 54.34 C ATOM 848 OH TYR A 50 -0.209 -2.325 -8.402 1.00 53.14 O ATOM 0 H TYR A 50 -0.485 -10.148 -10.190 1.00 2.42 H new ATOM 0 HA TYR A 50 0.327 -8.787 -7.861 1.00 64.04 H new ATOM 0 HB2 TYR A 50 1.226 -8.093 -9.968 1.00 2.12 H new ATOM 0 HB3 TYR A 50 -0.354 -7.985 -10.717 1.00 2.12 H new ATOM 0 HD1 TYR A 50 1.584 -6.402 -7.881 1.00 24.31 H new ATOM 0 HD2 TYR A 50 -1.324 -5.841 -10.963 1.00 35.34 H new ATOM 0 HE1 TYR A 50 1.375 -4.046 -7.257 1.00 51.20 H new ATOM 0 HE2 TYR A 50 -1.478 -3.474 -10.374 1.00 44.34 H new ATOM 0 HH TYR A 50 0.447 -2.109 -7.707 1.00 53.14 H new ATOM 858 N GLN A 51 -2.821 -8.305 -8.785 1.00 23.21 N ATOM 859 CA GLN A 51 -4.117 -7.738 -8.388 1.00 25.44 C ATOM 860 C GLN A 51 -4.695 -8.485 -7.161 1.00 44.43 C ATOM 861 O GLN A 51 -5.292 -7.863 -6.273 1.00 25.25 O ATOM 862 CB GLN A 51 -5.109 -7.771 -9.584 1.00 42.02 C ATOM 863 CG GLN A 51 -6.442 -7.040 -9.311 1.00 72.40 C ATOM 864 CD GLN A 51 -6.251 -5.570 -8.921 1.00 3.31 C ATOM 865 OE1 GLN A 51 -5.315 -4.921 -9.370 1.00 65.35 O ATOM 866 NE2 GLN A 51 -7.114 -5.050 -8.065 1.00 30.53 N ATOM 0 H GLN A 51 -2.856 -8.853 -9.644 1.00 23.21 H new ATOM 0 HA GLN A 51 -3.966 -6.698 -8.099 1.00 25.44 H new ATOM 0 HB2 GLN A 51 -4.630 -7.320 -10.453 1.00 42.02 H new ATOM 0 HB3 GLN A 51 -5.321 -8.809 -9.839 1.00 42.02 H new ATOM 0 HG2 GLN A 51 -7.069 -7.095 -10.201 1.00 72.40 H new ATOM 0 HG3 GLN A 51 -6.976 -7.555 -8.512 1.00 72.40 H new ATOM 0 HE21 GLN A 51 -7.884 -5.617 -7.709 1.00 30.53 H new ATOM 0 HE22 GLN A 51 -7.010 -4.082 -7.761 1.00 30.53 H new ATOM 875 N GLU A 52 -4.494 -9.817 -7.131 1.00 15.31 N ATOM 876 CA GLU A 52 -4.891 -10.683 -5.997 1.00 44.21 C ATOM 877 C GLU A 52 -4.050 -10.337 -4.751 1.00 64.12 C ATOM 878 O GLU A 52 -4.539 -10.421 -3.619 1.00 15.14 O ATOM 879 CB GLU A 52 -4.723 -12.186 -6.371 1.00 33.41 C ATOM 880 CG GLU A 52 -5.585 -12.642 -7.567 1.00 21.04 C ATOM 881 CD GLU A 52 -5.321 -14.101 -7.977 1.00 30.21 C ATOM 882 OE1 GLU A 52 -4.341 -14.355 -8.720 1.00 74.42 O ATOM 883 OE2 GLU A 52 -6.070 -15.005 -7.538 1.00 14.42 O ATOM 0 H GLU A 52 -4.050 -10.327 -7.895 1.00 15.31 H new ATOM 0 HA GLU A 52 -5.942 -10.505 -5.771 1.00 44.21 H new ATOM 0 HB2 GLU A 52 -3.675 -12.377 -6.600 1.00 33.41 H new ATOM 0 HB3 GLU A 52 -4.975 -12.795 -5.503 1.00 33.41 H new ATOM 0 HG2 GLU A 52 -6.639 -12.527 -7.313 1.00 21.04 H new ATOM 0 HG3 GLU A 52 -5.389 -11.990 -8.418 1.00 21.04 H new ATOM 890 N HIS A 53 -2.785 -9.922 -5.001 1.00 24.01 N ATOM 891 CA HIS A 53 -1.850 -9.441 -3.967 1.00 45.32 C ATOM 892 C HIS A 53 -2.375 -8.127 -3.362 1.00 25.31 C ATOM 893 O HIS A 53 -2.387 -7.977 -2.140 1.00 63.11 O ATOM 894 CB HIS A 53 -0.421 -9.242 -4.567 1.00 72.42 C ATOM 895 CG HIS A 53 0.561 -8.542 -3.660 1.00 3.44 C ATOM 896 ND1 HIS A 53 1.278 -9.193 -2.688 1.00 53.25 N ATOM 897 CD2 HIS A 53 0.933 -7.238 -3.582 1.00 32.43 C ATOM 898 CE1 HIS A 53 2.040 -8.331 -2.051 1.00 11.11 C ATOM 899 NE2 HIS A 53 1.852 -7.137 -2.576 1.00 4.22 N ATOM 0 H HIS A 53 -2.385 -9.914 -5.939 1.00 24.01 H new ATOM 0 HA HIS A 53 -1.781 -10.189 -3.177 1.00 45.32 H new ATOM 0 HB2 HIS A 53 -0.015 -10.219 -4.832 1.00 72.42 H new ATOM 0 HB3 HIS A 53 -0.508 -8.672 -5.492 1.00 72.42 H new ATOM 0 HD2 HIS A 53 0.570 -6.431 -4.201 1.00 32.43 H new ATOM 0 HE1 HIS A 53 2.708 -8.563 -1.235 1.00 11.11 H new ATOM 0 HE2 HIS A 53 2.316 -6.278 -2.280 1.00 4.22 H new ATOM 908 N LEU A 54 -2.802 -7.186 -4.239 1.00 32.33 N ATOM 909 CA LEU A 54 -3.361 -5.882 -3.813 1.00 24.43 C ATOM 910 C LEU A 54 -4.605 -6.074 -2.946 1.00 34.11 C ATOM 911 O LEU A 54 -4.771 -5.397 -1.939 1.00 53.23 O ATOM 912 CB LEU A 54 -3.753 -5.005 -5.028 1.00 13.33 C ATOM 913 CG LEU A 54 -2.605 -4.543 -5.959 1.00 34.13 C ATOM 914 CD1 LEU A 54 -3.178 -3.741 -7.128 1.00 73.22 C ATOM 915 CD2 LEU A 54 -1.528 -3.736 -5.194 1.00 35.40 C ATOM 0 H LEU A 54 -2.769 -7.308 -5.251 1.00 32.33 H new ATOM 0 HA LEU A 54 -2.579 -5.383 -3.241 1.00 24.43 H new ATOM 0 HB2 LEU A 54 -4.474 -5.560 -5.628 1.00 13.33 H new ATOM 0 HB3 LEU A 54 -4.265 -4.118 -4.655 1.00 13.33 H new ATOM 0 HG LEU A 54 -2.107 -5.429 -6.351 1.00 34.13 H new ATOM 0 HD11 LEU A 54 -2.367 -3.418 -7.780 1.00 73.22 H new ATOM 0 HD12 LEU A 54 -3.871 -4.365 -7.692 1.00 73.22 H new ATOM 0 HD13 LEU A 54 -3.706 -2.867 -6.746 1.00 73.22 H new ATOM 0 HD21 LEU A 54 -0.742 -3.432 -5.885 1.00 35.40 H new ATOM 0 HD22 LEU A 54 -1.984 -2.851 -4.750 1.00 35.40 H new ATOM 0 HD23 LEU A 54 -1.099 -4.356 -4.407 1.00 35.40 H new ATOM 927 N ASP A 55 -5.465 -7.011 -3.371 1.00 63.43 N ATOM 928 CA ASP A 55 -6.763 -7.271 -2.734 1.00 4.02 C ATOM 929 C ASP A 55 -6.573 -8.027 -1.405 1.00 24.31 C ATOM 930 O ASP A 55 -7.384 -7.897 -0.485 1.00 14.02 O ATOM 931 CB ASP A 55 -7.692 -8.043 -3.719 1.00 73.44 C ATOM 932 CG ASP A 55 -9.163 -8.008 -3.283 1.00 10.12 C ATOM 933 OD1 ASP A 55 -9.756 -6.904 -3.299 1.00 31.01 O ATOM 934 OD2 ASP A 55 -9.721 -9.046 -2.885 1.00 54.02 O ATOM 0 H ASP A 55 -5.277 -7.614 -4.172 1.00 63.43 H new ATOM 0 HA ASP A 55 -7.245 -6.323 -2.496 1.00 4.02 H new ATOM 0 HB2 ASP A 55 -7.601 -7.610 -4.715 1.00 73.44 H new ATOM 0 HB3 ASP A 55 -7.361 -9.079 -3.790 1.00 73.44 H new ATOM 939 N SER A 56 -5.469 -8.796 -1.312 1.00 21.33 N ATOM 940 CA SER A 56 -5.077 -9.497 -0.078 1.00 43.23 C ATOM 941 C SER A 56 -4.554 -8.485 0.963 1.00 41.43 C ATOM 942 O SER A 56 -4.884 -8.571 2.152 1.00 33.33 O ATOM 943 CB SER A 56 -4.010 -10.575 -0.387 1.00 23.44 C ATOM 944 OG SER A 56 -3.790 -11.401 0.737 1.00 22.04 O ATOM 0 H SER A 56 -4.827 -8.947 -2.090 1.00 21.33 H new ATOM 0 HA SER A 56 -5.951 -9.997 0.339 1.00 43.23 H new ATOM 0 HB2 SER A 56 -4.335 -11.182 -1.232 1.00 23.44 H new ATOM 0 HB3 SER A 56 -3.076 -10.095 -0.679 1.00 23.44 H new ATOM 0 HG SER A 56 -3.114 -12.076 0.520 1.00 22.04 H new ATOM 950 N VAL A 57 -3.751 -7.517 0.478 1.00 73.05 N ATOM 951 CA VAL A 57 -3.255 -6.379 1.273 1.00 14.34 C ATOM 952 C VAL A 57 -4.439 -5.529 1.777 1.00 54.22 C ATOM 953 O VAL A 57 -4.519 -5.199 2.962 1.00 42.13 O ATOM 954 CB VAL A 57 -2.255 -5.490 0.420 1.00 61.32 C ATOM 955 CG1 VAL A 57 -1.977 -4.116 1.082 1.00 25.05 C ATOM 956 CG2 VAL A 57 -0.923 -6.252 0.168 1.00 13.11 C ATOM 0 H VAL A 57 -3.426 -7.505 -0.489 1.00 73.05 H new ATOM 0 HA VAL A 57 -2.711 -6.768 2.134 1.00 14.34 H new ATOM 0 HB VAL A 57 -2.739 -5.294 -0.537 1.00 61.32 H new ATOM 0 HG11 VAL A 57 -1.287 -3.545 0.460 1.00 25.05 H new ATOM 0 HG12 VAL A 57 -2.912 -3.566 1.185 1.00 25.05 H new ATOM 0 HG13 VAL A 57 -1.535 -4.269 2.067 1.00 25.05 H new ATOM 0 HG21 VAL A 57 -0.251 -5.626 -0.418 1.00 13.11 H new ATOM 0 HG22 VAL A 57 -0.455 -6.492 1.123 1.00 13.11 H new ATOM 0 HG23 VAL A 57 -1.128 -7.173 -0.377 1.00 13.11 H new ATOM 966 N ALA A 58 -5.368 -5.240 0.853 1.00 51.11 N ATOM 967 CA ALA A 58 -6.545 -4.391 1.094 1.00 14.21 C ATOM 968 C ALA A 58 -7.513 -5.041 2.093 1.00 33.02 C ATOM 969 O ALA A 58 -8.233 -4.336 2.812 1.00 61.42 O ATOM 970 CB ALA A 58 -7.253 -4.098 -0.231 1.00 32.10 C ATOM 0 H ALA A 58 -5.321 -5.597 -0.101 1.00 51.11 H new ATOM 0 HA ALA A 58 -6.205 -3.453 1.533 1.00 14.21 H new ATOM 0 HB1 ALA A 58 -8.124 -3.469 -0.047 1.00 32.10 H new ATOM 0 HB2 ALA A 58 -6.568 -3.581 -0.903 1.00 32.10 H new ATOM 0 HB3 ALA A 58 -7.572 -5.035 -0.688 1.00 32.10 H new ATOM 976 N ASN A 59 -7.511 -6.392 2.116 1.00 65.24 N ATOM 977 CA ASN A 59 -8.286 -7.199 3.076 1.00 44.02 C ATOM 978 C ASN A 59 -7.813 -6.901 4.514 1.00 11.11 C ATOM 979 O ASN A 59 -8.637 -6.715 5.417 1.00 64.01 O ATOM 980 CB ASN A 59 -8.124 -8.714 2.764 1.00 3.51 C ATOM 981 CG ASN A 59 -8.967 -9.631 3.658 1.00 44.43 C ATOM 982 OD1 ASN A 59 -10.079 -9.289 4.046 1.00 53.55 O ATOM 983 ND2 ASN A 59 -8.433 -10.790 4.015 1.00 0.43 N ATOM 0 H ASN A 59 -6.966 -6.955 1.462 1.00 65.24 H new ATOM 0 HA ASN A 59 -9.340 -6.936 2.986 1.00 44.02 H new ATOM 0 HB2 ASN A 59 -8.395 -8.891 1.723 1.00 3.51 H new ATOM 0 HB3 ASN A 59 -7.074 -8.986 2.871 1.00 3.51 H new ATOM 0 HD21 ASN A 59 -8.949 -11.422 4.627 1.00 0.43 H new ATOM 0 HD22 ASN A 59 -7.506 -11.050 3.678 1.00 0.43 H new ATOM 990 N TYR A 60 -6.471 -6.840 4.693 1.00 62.44 N ATOM 991 CA TYR A 60 -5.836 -6.502 5.983 1.00 43.30 C ATOM 992 C TYR A 60 -6.052 -5.033 6.337 1.00 34.01 C ATOM 993 O TYR A 60 -6.278 -4.713 7.493 1.00 71.02 O ATOM 994 CB TYR A 60 -4.320 -6.811 5.967 1.00 31.33 C ATOM 995 CG TYR A 60 -4.006 -8.300 5.972 1.00 50.34 C ATOM 996 CD1 TYR A 60 -4.374 -9.076 7.068 1.00 65.54 C ATOM 997 CD2 TYR A 60 -3.358 -8.928 4.906 1.00 70.33 C ATOM 998 CE1 TYR A 60 -4.114 -10.416 7.107 1.00 30.33 C ATOM 999 CE2 TYR A 60 -3.092 -10.279 4.937 1.00 63.34 C ATOM 1000 CZ TYR A 60 -3.471 -11.022 6.038 1.00 62.03 C ATOM 1001 OH TYR A 60 -3.212 -12.374 6.070 1.00 13.30 O ATOM 0 H TYR A 60 -5.802 -7.024 3.946 1.00 62.44 H new ATOM 0 HA TYR A 60 -6.311 -7.123 6.742 1.00 43.30 H new ATOM 0 HB2 TYR A 60 -3.873 -6.356 5.083 1.00 31.33 H new ATOM 0 HB3 TYR A 60 -3.853 -6.346 6.835 1.00 31.33 H new ATOM 0 HD1 TYR A 60 -4.875 -8.609 7.903 1.00 65.54 H new ATOM 0 HD2 TYR A 60 -3.061 -8.346 4.046 1.00 70.33 H new ATOM 0 HE1 TYR A 60 -4.408 -11.001 7.966 1.00 30.33 H new ATOM 0 HE2 TYR A 60 -2.591 -10.754 4.107 1.00 63.34 H new ATOM 0 HH TYR A 60 -2.757 -12.640 5.243 1.00 13.30 H new ATOM 1011 N LEU A 61 -5.976 -4.149 5.332 1.00 44.40 N ATOM 1012 CA LEU A 61 -6.214 -2.706 5.519 1.00 11.14 C ATOM 1013 C LEU A 61 -7.644 -2.460 6.059 1.00 25.11 C ATOM 1014 O LEU A 61 -7.861 -1.584 6.906 1.00 1.51 O ATOM 1015 CB LEU A 61 -5.974 -1.951 4.183 1.00 62.44 C ATOM 1016 CG LEU A 61 -4.514 -1.980 3.630 1.00 43.20 C ATOM 1017 CD1 LEU A 61 -4.407 -1.232 2.289 1.00 54.51 C ATOM 1018 CD2 LEU A 61 -3.507 -1.429 4.665 1.00 62.02 C ATOM 0 H LEU A 61 -5.750 -4.409 4.372 1.00 44.40 H new ATOM 0 HA LEU A 61 -5.511 -2.320 6.257 1.00 11.14 H new ATOM 0 HB2 LEU A 61 -6.636 -2.373 3.427 1.00 62.44 H new ATOM 0 HB3 LEU A 61 -6.269 -0.910 4.319 1.00 62.44 H new ATOM 0 HG LEU A 61 -4.255 -3.023 3.445 1.00 43.20 H new ATOM 0 HD11 LEU A 61 -3.378 -1.271 1.932 1.00 54.51 H new ATOM 0 HD12 LEU A 61 -5.064 -1.702 1.557 1.00 54.51 H new ATOM 0 HD13 LEU A 61 -4.704 -0.192 2.428 1.00 54.51 H new ATOM 0 HD21 LEU A 61 -2.501 -1.464 4.248 1.00 62.02 H new ATOM 0 HD22 LEU A 61 -3.763 -0.398 4.909 1.00 62.02 H new ATOM 0 HD23 LEU A 61 -3.546 -2.036 5.569 1.00 62.02 H new ATOM 1030 N HIS A 62 -8.591 -3.282 5.577 1.00 51.44 N ATOM 1031 CA HIS A 62 -9.999 -3.259 6.009 1.00 41.24 C ATOM 1032 C HIS A 62 -10.145 -3.848 7.430 1.00 70.41 C ATOM 1033 O HIS A 62 -10.830 -3.268 8.283 1.00 31.10 O ATOM 1034 CB HIS A 62 -10.863 -4.054 4.996 1.00 72.41 C ATOM 1035 CG HIS A 62 -12.339 -4.102 5.320 1.00 11.25 C ATOM 1036 ND1 HIS A 62 -12.987 -5.259 5.681 1.00 10.20 N ATOM 1037 CD2 HIS A 62 -13.288 -3.132 5.318 1.00 60.12 C ATOM 1038 CE1 HIS A 62 -14.261 -5.002 5.887 1.00 20.34 C ATOM 1039 NE2 HIS A 62 -14.470 -3.717 5.674 1.00 54.15 N ATOM 0 H HIS A 62 -8.398 -3.990 4.868 1.00 51.44 H new ATOM 0 HA HIS A 62 -10.345 -2.226 6.040 1.00 41.24 H new ATOM 0 HB2 HIS A 62 -10.737 -3.612 4.007 1.00 72.41 H new ATOM 0 HB3 HIS A 62 -10.485 -5.075 4.940 1.00 72.41 H new ATOM 0 HD2 HIS A 62 -13.137 -2.090 5.079 1.00 60.12 H new ATOM 0 HE1 HIS A 62 -15.010 -5.722 6.181 1.00 20.34 H new ATOM 0 HE2 HIS A 62 -15.367 -3.239 5.761 1.00 54.15 H new ATOM 1048 N ALA A 63 -9.471 -4.991 7.662 1.00 45.03 N ATOM 1049 CA ALA A 63 -9.559 -5.765 8.922 1.00 20.24 C ATOM 1050 C ALA A 63 -9.005 -4.972 10.119 1.00 71.23 C ATOM 1051 O ALA A 63 -9.595 -4.957 11.201 1.00 44.32 O ATOM 1052 CB ALA A 63 -8.798 -7.100 8.766 1.00 74.10 C ATOM 0 H ALA A 63 -8.843 -5.409 6.975 1.00 45.03 H new ATOM 0 HA ALA A 63 -10.612 -5.965 9.123 1.00 20.24 H new ATOM 0 HB1 ALA A 63 -8.864 -7.667 9.694 1.00 74.10 H new ATOM 0 HB2 ALA A 63 -9.240 -7.678 7.955 1.00 74.10 H new ATOM 0 HB3 ALA A 63 -7.751 -6.898 8.538 1.00 74.10 H new ATOM 1058 N LEU A 64 -7.871 -4.303 9.887 1.00 63.35 N ATOM 1059 CA LEU A 64 -7.111 -3.587 10.926 1.00 53.23 C ATOM 1060 C LEU A 64 -7.589 -2.130 11.071 1.00 44.15 C ATOM 1061 O LEU A 64 -7.404 -1.515 12.127 1.00 54.54 O ATOM 1062 CB LEU A 64 -5.591 -3.651 10.586 1.00 23.53 C ATOM 1063 CG LEU A 64 -5.010 -5.093 10.354 1.00 73.52 C ATOM 1064 CD1 LEU A 64 -3.524 -5.065 9.933 1.00 11.13 C ATOM 1065 CD2 LEU A 64 -5.232 -5.986 11.590 1.00 41.50 C ATOM 0 H LEU A 64 -7.447 -4.241 8.962 1.00 63.35 H new ATOM 0 HA LEU A 64 -7.283 -4.072 11.887 1.00 53.23 H new ATOM 0 HB2 LEU A 64 -5.412 -3.057 9.690 1.00 23.53 H new ATOM 0 HB3 LEU A 64 -5.035 -3.180 11.397 1.00 23.53 H new ATOM 0 HG LEU A 64 -5.561 -5.531 9.522 1.00 73.52 H new ATOM 0 HD11 LEU A 64 -3.169 -6.085 9.785 1.00 11.13 H new ATOM 0 HD12 LEU A 64 -3.420 -4.506 9.003 1.00 11.13 H new ATOM 0 HD13 LEU A 64 -2.934 -4.585 10.713 1.00 11.13 H new ATOM 0 HD21 LEU A 64 -4.820 -6.977 11.401 1.00 41.50 H new ATOM 0 HD22 LEU A 64 -4.733 -5.544 12.453 1.00 41.50 H new ATOM 0 HD23 LEU A 64 -6.300 -6.069 11.792 1.00 41.50 H new ATOM 1077 N GLY A 65 -8.226 -1.595 10.011 1.00 24.02 N ATOM 1078 CA GLY A 65 -8.664 -0.194 9.973 1.00 15.31 C ATOM 1079 C GLY A 65 -7.570 0.751 9.471 1.00 54.55 C ATOM 1080 O GLY A 65 -7.706 1.978 9.566 1.00 64.12 O ATOM 0 H GLY A 65 -8.448 -2.121 9.165 1.00 24.02 H new ATOM 0 HA2 GLY A 65 -9.538 -0.108 9.327 1.00 15.31 H new ATOM 0 HA3 GLY A 65 -8.974 0.113 10.972 1.00 15.31 H new ATOM 1084 N GLY A 66 -6.489 0.164 8.905 1.00 72.05 N ATOM 1085 CA GLY A 66 -5.351 0.929 8.386 1.00 2.22 C ATOM 1086 C GLY A 66 -5.569 1.432 6.958 1.00 51.24 C ATOM 1087 O GLY A 66 -4.708 2.120 6.406 1.00 61.22 O ATOM 0 H GLY A 66 -6.390 -0.846 8.800 1.00 72.05 H new ATOM 0 HA2 GLY A 66 -5.164 1.780 9.040 1.00 2.22 H new ATOM 0 HA3 GLY A 66 -4.458 0.304 8.413 1.00 2.22 H new ATOM 1091 N ALA A 67 -6.731 1.090 6.370 1.00 35.45 N ATOM 1092 CA ALA A 67 -7.099 1.477 4.995 1.00 21.54 C ATOM 1093 C ALA A 67 -7.285 2.984 4.861 1.00 70.42 C ATOM 1094 O ALA A 67 -6.834 3.582 3.878 1.00 12.45 O ATOM 1095 CB ALA A 67 -8.379 0.760 4.574 1.00 61.32 C ATOM 0 H ALA A 67 -7.446 0.534 6.839 1.00 35.45 H new ATOM 0 HA ALA A 67 -6.279 1.181 4.340 1.00 21.54 H new ATOM 0 HB1 ALA A 67 -8.642 1.052 3.557 1.00 61.32 H new ATOM 0 HB2 ALA A 67 -8.222 -0.318 4.612 1.00 61.32 H new ATOM 0 HB3 ALA A 67 -9.188 1.033 5.251 1.00 61.32 H new ATOM 1101 N VAL A 68 -7.963 3.578 5.862 1.00 33.23 N ATOM 1102 CA VAL A 68 -8.169 5.032 5.946 1.00 63.51 C ATOM 1103 C VAL A 68 -6.804 5.735 6.012 1.00 14.23 C ATOM 1104 O VAL A 68 -6.595 6.742 5.349 1.00 14.22 O ATOM 1105 CB VAL A 68 -9.026 5.430 7.210 1.00 21.13 C ATOM 1106 CG1 VAL A 68 -9.322 6.953 7.245 1.00 13.23 C ATOM 1107 CG2 VAL A 68 -10.341 4.617 7.267 1.00 23.03 C ATOM 0 H VAL A 68 -8.383 3.060 6.634 1.00 33.23 H new ATOM 0 HA VAL A 68 -8.717 5.347 5.058 1.00 63.51 H new ATOM 0 HB VAL A 68 -8.434 5.188 8.092 1.00 21.13 H new ATOM 0 HG11 VAL A 68 -9.914 7.188 8.129 1.00 13.23 H new ATOM 0 HG12 VAL A 68 -8.383 7.505 7.279 1.00 13.23 H new ATOM 0 HG13 VAL A 68 -9.877 7.236 6.351 1.00 13.23 H new ATOM 0 HG21 VAL A 68 -10.913 4.911 8.147 1.00 23.03 H new ATOM 0 HG22 VAL A 68 -10.929 4.813 6.371 1.00 23.03 H new ATOM 0 HG23 VAL A 68 -10.109 3.553 7.323 1.00 23.03 H new ATOM 1117 N GLN A 69 -5.872 5.132 6.776 1.00 52.15 N ATOM 1118 CA GLN A 69 -4.512 5.666 6.989 1.00 4.31 C ATOM 1119 C GLN A 69 -3.715 5.716 5.666 1.00 52.31 C ATOM 1120 O GLN A 69 -2.956 6.657 5.445 1.00 35.15 O ATOM 1121 CB GLN A 69 -3.762 4.823 8.064 1.00 63.34 C ATOM 1122 CG GLN A 69 -4.528 4.670 9.408 1.00 34.03 C ATOM 1123 CD GLN A 69 -4.682 5.966 10.231 1.00 62.03 C ATOM 1124 OE1 GLN A 69 -4.711 7.073 9.706 1.00 35.54 O ATOM 1125 NE2 GLN A 69 -4.806 5.820 11.541 1.00 42.14 N ATOM 0 H GLN A 69 -6.043 4.254 7.266 1.00 52.15 H new ATOM 0 HA GLN A 69 -4.601 6.689 7.354 1.00 4.31 H new ATOM 0 HB2 GLN A 69 -3.564 3.831 7.658 1.00 63.34 H new ATOM 0 HB3 GLN A 69 -2.795 5.285 8.261 1.00 63.34 H new ATOM 0 HG2 GLN A 69 -5.521 4.273 9.198 1.00 34.03 H new ATOM 0 HG3 GLN A 69 -4.011 3.930 10.019 1.00 34.03 H new ATOM 0 HE21 GLN A 69 -4.779 4.888 11.955 1.00 42.14 H new ATOM 0 HE22 GLN A 69 -4.929 6.639 12.136 1.00 42.14 H new ATOM 1134 N VAL A 70 -3.926 4.708 4.790 1.00 42.54 N ATOM 1135 CA VAL A 70 -3.322 4.655 3.436 1.00 20.04 C ATOM 1136 C VAL A 70 -3.949 5.728 2.522 1.00 34.44 C ATOM 1137 O VAL A 70 -3.239 6.474 1.833 1.00 3.34 O ATOM 1138 CB VAL A 70 -3.499 3.225 2.788 1.00 64.33 C ATOM 1139 CG1 VAL A 70 -2.897 3.154 1.360 1.00 24.43 C ATOM 1140 CG2 VAL A 70 -2.877 2.138 3.691 1.00 25.21 C ATOM 0 H VAL A 70 -4.520 3.906 5.001 1.00 42.54 H new ATOM 0 HA VAL A 70 -2.256 4.855 3.540 1.00 20.04 H new ATOM 0 HB VAL A 70 -4.570 3.041 2.700 1.00 64.33 H new ATOM 0 HG11 VAL A 70 -3.042 2.153 0.954 1.00 24.43 H new ATOM 0 HG12 VAL A 70 -3.395 3.881 0.719 1.00 24.43 H new ATOM 0 HG13 VAL A 70 -1.831 3.378 1.403 1.00 24.43 H new ATOM 0 HG21 VAL A 70 -3.009 1.160 3.227 1.00 25.21 H new ATOM 0 HG22 VAL A 70 -1.813 2.337 3.820 1.00 25.21 H new ATOM 0 HG23 VAL A 70 -3.369 2.148 4.664 1.00 25.21 H new ATOM 1150 N LYS A 71 -5.291 5.809 2.561 1.00 23.42 N ATOM 1151 CA LYS A 71 -6.083 6.746 1.737 1.00 1.45 C ATOM 1152 C LYS A 71 -5.914 8.211 2.190 1.00 64.14 C ATOM 1153 O LYS A 71 -6.216 9.136 1.435 1.00 2.25 O ATOM 1154 CB LYS A 71 -7.580 6.331 1.759 1.00 72.01 C ATOM 1155 CG LYS A 71 -7.866 5.004 1.024 1.00 15.14 C ATOM 1156 CD LYS A 71 -9.360 4.608 1.013 1.00 1.10 C ATOM 1157 CE LYS A 71 -10.232 5.622 0.253 1.00 22.42 C ATOM 1158 NZ LYS A 71 -11.659 5.220 0.198 1.00 21.41 N ATOM 0 H LYS A 71 -5.863 5.223 3.169 1.00 23.42 H new ATOM 0 HA LYS A 71 -5.707 6.689 0.715 1.00 1.45 H new ATOM 0 HB2 LYS A 71 -7.908 6.241 2.795 1.00 72.01 H new ATOM 0 HB3 LYS A 71 -8.174 7.124 1.304 1.00 72.01 H new ATOM 0 HG2 LYS A 71 -7.513 5.085 -0.004 1.00 15.14 H new ATOM 0 HG3 LYS A 71 -7.292 4.207 1.496 1.00 15.14 H new ATOM 0 HD2 LYS A 71 -9.469 3.625 0.555 1.00 1.10 H new ATOM 0 HD3 LYS A 71 -9.718 4.523 2.039 1.00 1.10 H new ATOM 0 HE2 LYS A 71 -10.151 6.597 0.734 1.00 22.42 H new ATOM 0 HE3 LYS A 71 -9.851 5.735 -0.762 1.00 22.42 H new ATOM 0 HZ1 LYS A 71 -12.221 5.990 -0.219 1.00 21.41 H new ATOM 0 HZ2 LYS A 71 -11.757 4.365 -0.386 1.00 21.41 H new ATOM 0 HZ3 LYS A 71 -12.002 5.023 1.160 1.00 21.41 H new ATOM 1172 N THR A 72 -5.436 8.405 3.423 1.00 2.40 N ATOM 1173 CA THR A 72 -5.131 9.731 3.969 1.00 30.33 C ATOM 1174 C THR A 72 -3.670 10.100 3.658 1.00 12.11 C ATOM 1175 O THR A 72 -3.383 11.235 3.276 1.00 20.31 O ATOM 1176 CB THR A 72 -5.390 9.760 5.513 1.00 75.21 C ATOM 1177 OG1 THR A 72 -6.753 9.391 5.778 1.00 22.14 O ATOM 1178 CG2 THR A 72 -5.130 11.131 6.148 1.00 3.32 C ATOM 0 H THR A 72 -5.249 7.642 4.074 1.00 2.40 H new ATOM 0 HA THR A 72 -5.786 10.466 3.501 1.00 30.33 H new ATOM 0 HB THR A 72 -4.689 9.053 5.956 1.00 75.21 H new ATOM 0 HG1 THR A 72 -6.925 8.495 5.420 1.00 22.14 H new ATOM 0 HG21 THR A 72 -5.329 11.080 7.218 1.00 3.32 H new ATOM 0 HG22 THR A 72 -4.091 11.416 5.985 1.00 3.32 H new ATOM 0 HG23 THR A 72 -5.785 11.873 5.692 1.00 3.32 H new ATOM 1186 N PHE A 73 -2.762 9.113 3.793 1.00 12.52 N ATOM 1187 CA PHE A 73 -1.316 9.332 3.639 1.00 35.51 C ATOM 1188 C PHE A 73 -0.973 9.658 2.176 1.00 33.51 C ATOM 1189 O PHE A 73 -0.507 10.759 1.894 1.00 35.20 O ATOM 1190 CB PHE A 73 -0.518 8.097 4.127 1.00 34.14 C ATOM 1191 CG PHE A 73 0.999 8.314 4.199 1.00 42.15 C ATOM 1192 CD1 PHE A 73 1.580 8.878 5.335 1.00 60.45 C ATOM 1193 CD2 PHE A 73 1.836 7.972 3.134 1.00 11.41 C ATOM 1194 CE1 PHE A 73 2.941 9.087 5.403 1.00 52.42 C ATOM 1195 CE2 PHE A 73 3.195 8.188 3.209 1.00 31.23 C ATOM 1196 CZ PHE A 73 3.747 8.741 4.338 1.00 25.11 C ATOM 0 H PHE A 73 -3.012 8.148 4.011 1.00 12.52 H new ATOM 0 HA PHE A 73 -1.031 10.184 4.256 1.00 35.51 H new ATOM 0 HB2 PHE A 73 -0.880 7.812 5.115 1.00 34.14 H new ATOM 0 HB3 PHE A 73 -0.722 7.260 3.459 1.00 34.14 H new ATOM 0 HD1 PHE A 73 0.956 9.154 6.172 1.00 60.45 H new ATOM 0 HD2 PHE A 73 1.413 7.534 2.242 1.00 11.41 H new ATOM 0 HE1 PHE A 73 3.377 9.522 6.290 1.00 52.42 H new ATOM 0 HE2 PHE A 73 3.829 7.921 2.376 1.00 31.23 H new ATOM 0 HZ PHE A 73 4.813 8.905 4.392 1.00 25.11 H new ATOM 1206 N ILE A 74 -1.249 8.695 1.262 1.00 71.00 N ATOM 1207 CA ILE A 74 -0.860 8.782 -0.167 1.00 52.34 C ATOM 1208 C ILE A 74 -1.459 10.028 -0.843 1.00 14.21 C ATOM 1209 O ILE A 74 -0.739 10.766 -1.521 1.00 33.33 O ATOM 1210 CB ILE A 74 -1.250 7.477 -0.978 1.00 44.53 C ATOM 1211 CG1 ILE A 74 -0.442 6.243 -0.451 1.00 53.10 C ATOM 1212 CG2 ILE A 74 -1.056 7.659 -2.512 1.00 23.14 C ATOM 1213 CD1 ILE A 74 -0.641 4.946 -1.233 1.00 4.15 C ATOM 0 H ILE A 74 -1.748 7.836 1.495 1.00 71.00 H new ATOM 0 HA ILE A 74 0.226 8.869 -0.182 1.00 52.34 H new ATOM 0 HB ILE A 74 -2.312 7.295 -0.814 1.00 44.53 H new ATOM 0 HG12 ILE A 74 0.619 6.494 -0.461 1.00 53.10 H new ATOM 0 HG13 ILE A 74 -0.718 6.066 0.589 1.00 53.10 H new ATOM 0 HG21 ILE A 74 -1.336 6.739 -3.026 1.00 23.14 H new ATOM 0 HG22 ILE A 74 -1.685 8.477 -2.864 1.00 23.14 H new ATOM 0 HG23 ILE A 74 -0.011 7.888 -2.722 1.00 23.14 H new ATOM 0 HD11 ILE A 74 -0.038 4.156 -0.786 1.00 4.15 H new ATOM 0 HD12 ILE A 74 -1.693 4.661 -1.203 1.00 4.15 H new ATOM 0 HD13 ILE A 74 -0.335 5.095 -2.268 1.00 4.15 H new ATOM 1225 N THR A 75 -2.761 10.273 -0.610 1.00 52.41 N ATOM 1226 CA THR A 75 -3.494 11.361 -1.273 1.00 12.21 C ATOM 1227 C THR A 75 -2.898 12.748 -0.917 1.00 51.24 C ATOM 1228 O THR A 75 -2.731 13.594 -1.801 1.00 43.24 O ATOM 1229 CB THR A 75 -5.016 11.298 -0.925 1.00 3.15 C ATOM 1230 OG1 THR A 75 -5.510 9.981 -1.235 1.00 55.41 O ATOM 1231 CG2 THR A 75 -5.844 12.333 -1.713 1.00 35.42 C ATOM 0 H THR A 75 -3.329 9.726 0.038 1.00 52.41 H new ATOM 0 HA THR A 75 -3.385 11.226 -2.349 1.00 12.21 H new ATOM 0 HB THR A 75 -5.121 11.525 0.136 1.00 3.15 H new ATOM 0 HG1 THR A 75 -5.815 9.544 -0.413 1.00 55.41 H new ATOM 0 HG21 THR A 75 -6.894 12.247 -1.434 1.00 35.42 H new ATOM 0 HG22 THR A 75 -5.488 13.337 -1.481 1.00 35.42 H new ATOM 0 HG23 THR A 75 -5.736 12.148 -2.782 1.00 35.42 H new ATOM 1239 N GLN A 76 -2.515 12.937 0.366 1.00 4.11 N ATOM 1240 CA GLN A 76 -1.983 14.230 0.859 1.00 41.52 C ATOM 1241 C GLN A 76 -0.474 14.390 0.569 1.00 1.41 C ATOM 1242 O GLN A 76 -0.021 15.503 0.280 1.00 11.33 O ATOM 1243 CB GLN A 76 -2.222 14.393 2.384 1.00 34.52 C ATOM 1244 CG GLN A 76 -3.692 14.324 2.827 1.00 60.54 C ATOM 1245 CD GLN A 76 -3.869 14.635 4.313 1.00 4.43 C ATOM 1246 OE1 GLN A 76 -3.626 13.652 5.156 1.00 10.23 O flip ATOM 1247 NE2 GLN A 76 -4.145 15.766 4.701 1.00 73.04 N flip ATOM 0 H GLN A 76 -2.564 12.210 1.080 1.00 4.11 H new ATOM 0 HA GLN A 76 -2.525 15.006 0.319 1.00 41.52 H new ATOM 0 HB2 GLN A 76 -1.664 13.617 2.908 1.00 34.52 H new ATOM 0 HB3 GLN A 76 -1.809 15.351 2.700 1.00 34.52 H new ATOM 0 HG2 GLN A 76 -4.279 15.029 2.239 1.00 60.54 H new ATOM 0 HG3 GLN A 76 -4.085 13.329 2.618 1.00 60.54 H new ATOM 0 HE21 GLN A 76 -4.328 16.507 4.024 1.00 73.04 H new ATOM 0 HE22 GLN A 76 -4.191 15.965 5.700 1.00 73.04 H new ATOM 1256 N THR A 77 0.299 13.284 0.668 1.00 54.43 N ATOM 1257 CA THR A 77 1.778 13.333 0.577 1.00 54.53 C ATOM 1258 C THR A 77 2.235 13.593 -0.872 1.00 62.54 C ATOM 1259 O THR A 77 1.503 13.311 -1.819 1.00 22.03 O ATOM 1260 CB THR A 77 2.472 12.028 1.139 1.00 35.53 C ATOM 1261 OG1 THR A 77 3.876 12.268 1.315 1.00 33.12 O ATOM 1262 CG2 THR A 77 2.296 10.793 0.223 1.00 25.13 C ATOM 0 H THR A 77 -0.076 12.346 0.811 1.00 54.43 H new ATOM 0 HA THR A 77 2.094 14.164 1.208 1.00 54.53 H new ATOM 0 HB THR A 77 1.983 11.804 2.087 1.00 35.53 H new ATOM 0 HG1 THR A 77 4.305 11.459 1.665 1.00 33.12 H new ATOM 0 HG21 THR A 77 2.797 9.934 0.670 1.00 25.13 H new ATOM 0 HG22 THR A 77 1.234 10.574 0.107 1.00 25.13 H new ATOM 0 HG23 THR A 77 2.732 11.000 -0.754 1.00 25.13 H new ATOM 1270 N LYS A 78 3.443 14.148 -1.026 1.00 20.42 N ATOM 1271 CA LYS A 78 4.054 14.422 -2.346 1.00 41.22 C ATOM 1272 C LYS A 78 5.177 13.407 -2.641 1.00 54.04 C ATOM 1273 O LYS A 78 5.859 13.508 -3.671 1.00 45.31 O ATOM 1274 CB LYS A 78 4.591 15.878 -2.389 1.00 2.23 C ATOM 1275 CG LYS A 78 3.503 16.960 -2.170 1.00 30.34 C ATOM 1276 CD LYS A 78 4.071 18.402 -2.152 1.00 52.13 C ATOM 1277 CE LYS A 78 4.733 18.812 -3.483 1.00 35.31 C ATOM 1278 NZ LYS A 78 3.781 18.766 -4.625 1.00 73.22 N ATOM 0 H LYS A 78 4.032 14.423 -0.240 1.00 20.42 H new ATOM 0 HA LYS A 78 3.294 14.313 -3.120 1.00 41.22 H new ATOM 0 HB2 LYS A 78 5.361 15.993 -1.626 1.00 2.23 H new ATOM 0 HB3 LYS A 78 5.070 16.049 -3.353 1.00 2.23 H new ATOM 0 HG2 LYS A 78 2.756 16.880 -2.960 1.00 30.34 H new ATOM 0 HG3 LYS A 78 2.991 16.766 -1.227 1.00 30.34 H new ATOM 0 HD2 LYS A 78 3.265 19.100 -1.925 1.00 52.13 H new ATOM 0 HD3 LYS A 78 4.803 18.487 -1.349 1.00 52.13 H new ATOM 0 HE2 LYS A 78 5.137 19.820 -3.390 1.00 35.31 H new ATOM 0 HE3 LYS A 78 5.574 18.149 -3.687 1.00 35.31 H new ATOM 0 HZ1 LYS A 78 4.247 19.130 -5.480 1.00 73.22 H new ATOM 0 HZ2 LYS A 78 3.479 17.784 -4.786 1.00 73.22 H new ATOM 0 HZ3 LYS A 78 2.950 19.352 -4.408 1.00 73.22 H new ATOM 1292 N GLU A 79 5.347 12.424 -1.727 1.00 54.23 N ATOM 1293 CA GLU A 79 6.332 11.339 -1.870 1.00 21.45 C ATOM 1294 C GLU A 79 6.034 10.473 -3.096 1.00 44.20 C ATOM 1295 O GLU A 79 4.877 10.187 -3.396 1.00 30.13 O ATOM 1296 CB GLU A 79 6.328 10.421 -0.616 1.00 2.12 C ATOM 1297 CG GLU A 79 6.858 11.068 0.677 1.00 4.33 C ATOM 1298 CD GLU A 79 6.700 10.168 1.926 1.00 72.44 C ATOM 1299 OE1 GLU A 79 6.865 8.929 1.810 1.00 1.53 O ATOM 1300 OE2 GLU A 79 6.445 10.703 3.029 1.00 63.14 O ATOM 0 H GLU A 79 4.800 12.365 -0.868 1.00 54.23 H new ATOM 0 HA GLU A 79 7.307 11.812 -1.986 1.00 21.45 H new ATOM 0 HB2 GLU A 79 5.308 10.079 -0.440 1.00 2.12 H new ATOM 0 HB3 GLU A 79 6.927 9.537 -0.832 1.00 2.12 H new ATOM 0 HG2 GLU A 79 7.912 11.313 0.546 1.00 4.33 H new ATOM 0 HG3 GLU A 79 6.331 12.007 0.846 1.00 4.33 H new ATOM 1307 N ARG A 80 7.107 10.081 -3.788 1.00 43.13 N ATOM 1308 CA ARG A 80 7.090 9.041 -4.821 1.00 23.45 C ATOM 1309 C ARG A 80 8.033 7.905 -4.394 1.00 3.43 C ATOM 1310 O ARG A 80 9.120 8.188 -3.862 1.00 71.31 O ATOM 1311 CB ARG A 80 7.514 9.598 -6.213 1.00 13.14 C ATOM 1312 CG ARG A 80 6.464 10.520 -6.857 1.00 74.44 C ATOM 1313 CD ARG A 80 6.757 10.835 -8.332 1.00 2.32 C ATOM 1314 NE ARG A 80 5.586 11.429 -9.006 1.00 61.32 N ATOM 1315 CZ ARG A 80 5.133 11.093 -10.234 1.00 14.41 C ATOM 1316 NH1 ARG A 80 5.736 10.163 -10.968 1.00 11.41 N ATOM 1317 NH2 ARG A 80 4.052 11.681 -10.704 1.00 11.21 N ATOM 0 H ARG A 80 8.032 10.486 -3.643 1.00 43.13 H new ATOM 0 HA ARG A 80 6.071 8.669 -4.922 1.00 23.45 H new ATOM 0 HB2 ARG A 80 8.449 10.147 -6.105 1.00 13.14 H new ATOM 0 HB3 ARG A 80 7.711 8.762 -6.884 1.00 13.14 H new ATOM 0 HG2 ARG A 80 5.483 10.051 -6.780 1.00 74.44 H new ATOM 0 HG3 ARG A 80 6.416 11.453 -6.296 1.00 74.44 H new ATOM 0 HD2 ARG A 80 7.601 11.521 -8.397 1.00 2.32 H new ATOM 0 HD3 ARG A 80 7.049 9.921 -8.848 1.00 2.32 H new ATOM 0 HE ARG A 80 5.076 12.154 -8.502 1.00 61.32 H new ATOM 0 HH11 ARG A 80 6.561 9.684 -10.607 1.00 11.41 H new ATOM 0 HH12 ARG A 80 5.373 9.928 -11.892 1.00 11.41 H new ATOM 0 HH21 ARG A 80 3.567 12.381 -10.142 1.00 11.21 H new ATOM 0 HH22 ARG A 80 3.700 11.436 -11.629 1.00 11.21 H new ATOM 1331 N PRO A 81 7.626 6.605 -4.583 1.00 12.52 N ATOM 1332 CA PRO A 81 8.517 5.466 -4.321 1.00 52.53 C ATOM 1333 C PRO A 81 9.697 5.462 -5.327 1.00 42.20 C ATOM 1334 O PRO A 81 9.507 5.410 -6.551 1.00 64.42 O ATOM 1335 CB PRO A 81 7.594 4.228 -4.449 1.00 22.30 C ATOM 1336 CG PRO A 81 6.433 4.682 -5.283 1.00 61.52 C ATOM 1337 CD PRO A 81 6.281 6.168 -5.044 1.00 0.22 C ATOM 0 HA PRO A 81 8.992 5.495 -3.341 1.00 52.53 H new ATOM 0 HB2 PRO A 81 8.116 3.396 -4.922 1.00 22.30 H new ATOM 0 HB3 PRO A 81 7.263 3.882 -3.470 1.00 22.30 H new ATOM 0 HG2 PRO A 81 6.611 4.476 -6.338 1.00 61.52 H new ATOM 0 HG3 PRO A 81 5.524 4.150 -5.003 1.00 61.52 H new ATOM 0 HD2 PRO A 81 5.984 6.689 -5.954 1.00 0.22 H new ATOM 0 HD3 PRO A 81 5.517 6.374 -4.294 1.00 0.22 H new ATOM 1345 N ARG A 82 10.902 5.545 -4.770 1.00 14.34 N ATOM 1346 CA ARG A 82 12.171 5.688 -5.496 1.00 3.44 C ATOM 1347 C ARG A 82 13.125 4.561 -5.070 1.00 15.50 C ATOM 1348 O ARG A 82 12.966 4.005 -3.986 1.00 24.44 O ATOM 1349 CB ARG A 82 12.768 7.079 -5.152 1.00 54.30 C ATOM 1350 CG ARG A 82 14.170 7.367 -5.736 1.00 22.40 C ATOM 1351 CD ARG A 82 14.715 8.719 -5.273 1.00 12.01 C ATOM 1352 NE ARG A 82 16.102 8.953 -5.703 1.00 74.11 N ATOM 1353 CZ ARG A 82 16.773 10.096 -5.501 1.00 73.01 C ATOM 1354 NH1 ARG A 82 16.199 11.128 -4.887 1.00 23.24 N ATOM 1355 NH2 ARG A 82 18.026 10.199 -5.911 1.00 23.31 N ATOM 0 H ARG A 82 11.032 5.514 -3.759 1.00 14.34 H new ATOM 0 HA ARG A 82 12.018 5.617 -6.573 1.00 3.44 H new ATOM 0 HB2 ARG A 82 12.081 7.847 -5.507 1.00 54.30 H new ATOM 0 HB3 ARG A 82 12.819 7.174 -4.067 1.00 54.30 H new ATOM 0 HG2 ARG A 82 14.858 6.576 -5.436 1.00 22.40 H new ATOM 0 HG3 ARG A 82 14.120 7.349 -6.825 1.00 22.40 H new ATOM 0 HD2 ARG A 82 14.080 9.514 -5.663 1.00 12.01 H new ATOM 0 HD3 ARG A 82 14.663 8.773 -4.186 1.00 12.01 H new ATOM 0 HE ARG A 82 16.585 8.196 -6.187 1.00 74.11 H new ATOM 0 HH11 ARG A 82 15.235 11.056 -4.562 1.00 23.24 H new ATOM 0 HH12 ARG A 82 16.723 11.991 -4.741 1.00 23.24 H new ATOM 0 HH21 ARG A 82 18.476 9.412 -6.378 1.00 23.31 H new ATOM 0 HH22 ARG A 82 18.542 11.066 -5.761 1.00 23.31 H new ATOM 1369 N LEU A 83 14.103 4.230 -5.930 1.00 14.22 N ATOM 1370 CA LEU A 83 15.136 3.212 -5.649 1.00 53.22 C ATOM 1371 C LEU A 83 15.902 3.548 -4.347 1.00 15.41 C ATOM 1372 O LEU A 83 16.782 4.422 -4.331 1.00 25.45 O ATOM 1373 CB LEU A 83 16.101 3.109 -6.857 1.00 43.43 C ATOM 1374 CG LEU A 83 17.269 2.073 -6.749 1.00 21.11 C ATOM 1375 CD1 LEU A 83 16.736 0.639 -6.583 1.00 73.00 C ATOM 1376 CD2 LEU A 83 18.221 2.181 -7.964 1.00 45.33 C ATOM 0 H LEU A 83 14.202 4.664 -6.848 1.00 14.22 H new ATOM 0 HA LEU A 83 14.654 2.245 -5.501 1.00 53.22 H new ATOM 0 HB2 LEU A 83 15.512 2.864 -7.741 1.00 43.43 H new ATOM 0 HB3 LEU A 83 16.537 4.094 -7.027 1.00 43.43 H new ATOM 0 HG LEU A 83 17.842 2.313 -5.853 1.00 21.11 H new ATOM 0 HD11 LEU A 83 17.574 -0.055 -6.511 1.00 73.00 H new ATOM 0 HD12 LEU A 83 16.135 0.577 -5.676 1.00 73.00 H new ATOM 0 HD13 LEU A 83 16.121 0.377 -7.444 1.00 73.00 H new ATOM 0 HD21 LEU A 83 19.023 1.450 -7.864 1.00 45.33 H new ATOM 0 HD22 LEU A 83 17.665 1.985 -8.881 1.00 45.33 H new ATOM 0 HD23 LEU A 83 18.647 3.184 -8.005 1.00 45.33 H new ATOM 1388 N GLY A 84 15.503 2.875 -3.252 1.00 32.12 N ATOM 1389 CA GLY A 84 16.101 3.067 -1.928 1.00 34.52 C ATOM 1390 C GLY A 84 15.157 3.724 -0.930 1.00 62.14 C ATOM 1391 O GLY A 84 15.311 3.545 0.283 1.00 14.41 O ATOM 0 H GLY A 84 14.755 2.182 -3.266 1.00 32.12 H new ATOM 0 HA2 GLY A 84 16.417 2.100 -1.536 1.00 34.52 H new ATOM 0 HA3 GLY A 84 16.997 3.679 -2.027 1.00 34.52 H new ATOM 1395 N LYS A 85 14.199 4.521 -1.437 1.00 23.54 N ATOM 1396 CA LYS A 85 13.188 5.208 -0.612 1.00 45.41 C ATOM 1397 C LYS A 85 11.804 4.601 -0.920 1.00 54.13 C ATOM 1398 O LYS A 85 11.198 4.907 -1.948 1.00 33.11 O ATOM 1399 CB LYS A 85 13.213 6.751 -0.899 1.00 63.14 C ATOM 1400 CG LYS A 85 12.717 7.661 0.264 1.00 22.21 C ATOM 1401 CD LYS A 85 11.212 7.490 0.628 1.00 43.15 C ATOM 1402 CE LYS A 85 10.798 8.307 1.865 1.00 71.22 C ATOM 1403 NZ LYS A 85 9.421 7.980 2.308 1.00 4.25 N ATOM 0 H LYS A 85 14.104 4.708 -2.435 1.00 23.54 H new ATOM 0 HA LYS A 85 13.408 5.069 0.446 1.00 45.41 H new ATOM 0 HB2 LYS A 85 14.234 7.039 -1.151 1.00 63.14 H new ATOM 0 HB3 LYS A 85 12.599 6.949 -1.778 1.00 63.14 H new ATOM 0 HG2 LYS A 85 13.317 7.454 1.150 1.00 22.21 H new ATOM 0 HG3 LYS A 85 12.896 8.702 -0.006 1.00 22.21 H new ATOM 0 HD2 LYS A 85 10.601 7.793 -0.222 1.00 43.15 H new ATOM 0 HD3 LYS A 85 11.005 6.435 0.809 1.00 43.15 H new ATOM 0 HE2 LYS A 85 11.497 8.113 2.679 1.00 71.22 H new ATOM 0 HE3 LYS A 85 10.863 9.371 1.636 1.00 71.22 H new ATOM 0 HZ1 LYS A 85 9.342 8.129 3.334 1.00 4.25 H new ATOM 0 HZ2 LYS A 85 8.743 8.595 1.816 1.00 4.25 H new ATOM 0 HZ3 LYS A 85 9.212 6.986 2.085 1.00 4.25 H new ATOM 1417 N ALA A 86 11.312 3.754 -0.015 1.00 4.10 N ATOM 1418 CA ALA A 86 9.943 3.211 -0.089 1.00 60.25 C ATOM 1419 C ALA A 86 8.993 4.136 0.674 1.00 24.43 C ATOM 1420 O ALA A 86 9.385 4.740 1.685 1.00 44.32 O ATOM 1421 CB ALA A 86 9.877 1.786 0.488 1.00 41.52 C ATOM 0 H ALA A 86 11.844 3.422 0.790 1.00 4.10 H new ATOM 0 HA ALA A 86 9.643 3.158 -1.136 1.00 60.25 H new ATOM 0 HB1 ALA A 86 8.855 1.413 0.420 1.00 41.52 H new ATOM 0 HB2 ALA A 86 10.541 1.133 -0.079 1.00 41.52 H new ATOM 0 HB3 ALA A 86 10.188 1.802 1.532 1.00 41.52 H new ATOM 1427 N VAL A 87 7.754 4.259 0.180 1.00 35.05 N ATOM 1428 CA VAL A 87 6.708 5.022 0.869 1.00 60.21 C ATOM 1429 C VAL A 87 6.135 4.129 1.992 1.00 25.41 C ATOM 1430 O VAL A 87 5.183 3.366 1.789 1.00 31.23 O ATOM 1431 CB VAL A 87 5.592 5.494 -0.151 1.00 32.12 C ATOM 1432 CG1 VAL A 87 4.462 6.288 0.540 1.00 20.45 C ATOM 1433 CG2 VAL A 87 6.210 6.322 -1.310 1.00 31.55 C ATOM 0 H VAL A 87 7.452 3.837 -0.698 1.00 35.05 H new ATOM 0 HA VAL A 87 7.119 5.931 1.308 1.00 60.21 H new ATOM 0 HB VAL A 87 5.145 4.591 -0.567 1.00 32.12 H new ATOM 0 HG11 VAL A 87 3.722 6.589 -0.202 1.00 20.45 H new ATOM 0 HG12 VAL A 87 3.986 5.661 1.294 1.00 20.45 H new ATOM 0 HG13 VAL A 87 4.879 7.175 1.016 1.00 20.45 H new ATOM 0 HG21 VAL A 87 5.422 6.633 -1.995 1.00 31.55 H new ATOM 0 HG22 VAL A 87 6.706 7.203 -0.903 1.00 31.55 H new ATOM 0 HG23 VAL A 87 6.937 5.712 -1.846 1.00 31.55 H new ATOM 1443 N SER A 88 6.785 4.203 3.169 1.00 3.24 N ATOM 1444 CA SER A 88 6.453 3.367 4.327 1.00 34.54 C ATOM 1445 C SER A 88 5.320 4.033 5.110 1.00 63.23 C ATOM 1446 O SER A 88 5.558 4.832 6.017 1.00 61.42 O ATOM 1447 CB SER A 88 7.714 3.141 5.206 1.00 3.43 C ATOM 1448 OG SER A 88 7.471 2.234 6.268 1.00 54.40 O ATOM 0 H SER A 88 7.557 4.848 3.339 1.00 3.24 H new ATOM 0 HA SER A 88 6.113 2.385 3.998 1.00 34.54 H new ATOM 0 HB2 SER A 88 8.525 2.761 4.584 1.00 3.43 H new ATOM 0 HB3 SER A 88 8.046 4.096 5.614 1.00 3.43 H new ATOM 0 HG SER A 88 6.867 2.648 6.920 1.00 54.40 H new ATOM 1454 N ILE A 89 4.090 3.719 4.691 1.00 41.44 N ATOM 1455 CA ILE A 89 2.859 4.294 5.251 1.00 60.24 C ATOM 1456 C ILE A 89 2.659 3.826 6.709 1.00 14.13 C ATOM 1457 O ILE A 89 2.476 2.622 6.933 1.00 24.14 O ATOM 1458 CB ILE A 89 1.613 3.880 4.387 1.00 22.43 C ATOM 1459 CG1 ILE A 89 1.838 4.280 2.897 1.00 32.12 C ATOM 1460 CG2 ILE A 89 0.296 4.484 4.947 1.00 4.33 C ATOM 1461 CD1 ILE A 89 0.786 3.760 1.948 1.00 22.22 C ATOM 0 H ILE A 89 3.917 3.048 3.942 1.00 41.44 H new ATOM 0 HA ILE A 89 2.955 5.380 5.236 1.00 60.24 H new ATOM 0 HB ILE A 89 1.507 2.797 4.441 1.00 22.43 H new ATOM 0 HG12 ILE A 89 1.869 5.367 2.826 1.00 32.12 H new ATOM 0 HG13 ILE A 89 2.813 3.912 2.577 1.00 32.12 H new ATOM 0 HG21 ILE A 89 -0.541 4.174 4.322 1.00 4.33 H new ATOM 0 HG22 ILE A 89 0.138 4.131 5.966 1.00 4.33 H new ATOM 0 HG23 ILE A 89 0.366 5.572 4.947 1.00 4.33 H new ATOM 0 HD11 ILE A 89 1.019 4.084 0.934 1.00 22.22 H new ATOM 0 HD12 ILE A 89 0.768 2.671 1.986 1.00 22.22 H new ATOM 0 HD13 ILE A 89 -0.190 4.149 2.238 1.00 22.22 H new ATOM 1473 N PRO A 90 2.721 4.756 7.722 1.00 10.32 N ATOM 1474 CA PRO A 90 2.426 4.404 9.121 1.00 14.53 C ATOM 1475 C PRO A 90 0.937 4.055 9.287 1.00 72.10 C ATOM 1476 O PRO A 90 0.058 4.915 9.107 1.00 24.11 O ATOM 1477 CB PRO A 90 2.822 5.681 9.912 1.00 21.13 C ATOM 1478 CG PRO A 90 2.712 6.804 8.917 1.00 64.42 C ATOM 1479 CD PRO A 90 3.074 6.198 7.575 1.00 22.55 C ATOM 0 HA PRO A 90 2.966 3.525 9.472 1.00 14.53 H new ATOM 0 HB2 PRO A 90 2.159 5.840 10.762 1.00 21.13 H new ATOM 0 HB3 PRO A 90 3.834 5.602 10.308 1.00 21.13 H new ATOM 0 HG2 PRO A 90 1.703 7.216 8.901 1.00 64.42 H new ATOM 0 HG3 PRO A 90 3.386 7.621 9.173 1.00 64.42 H new ATOM 0 HD2 PRO A 90 2.516 6.665 6.763 1.00 22.55 H new ATOM 0 HD3 PRO A 90 4.133 6.329 7.351 1.00 22.55 H new ATOM 1487 N LEU A 91 0.660 2.781 9.593 1.00 70.25 N ATOM 1488 CA LEU A 91 -0.700 2.315 9.847 1.00 33.12 C ATOM 1489 C LEU A 91 -0.971 2.427 11.346 1.00 11.23 C ATOM 1490 O LEU A 91 -0.654 1.520 12.128 1.00 61.04 O ATOM 1491 CB LEU A 91 -0.889 0.862 9.342 1.00 34.41 C ATOM 1492 CG LEU A 91 -0.569 0.610 7.836 1.00 41.11 C ATOM 1493 CD1 LEU A 91 -0.844 -0.856 7.462 1.00 14.41 C ATOM 1494 CD2 LEU A 91 -1.345 1.587 6.925 1.00 71.54 C ATOM 0 H LEU A 91 1.370 2.053 9.670 1.00 70.25 H new ATOM 0 HA LEU A 91 -1.415 2.931 9.302 1.00 33.12 H new ATOM 0 HB2 LEU A 91 -0.257 0.206 9.941 1.00 34.41 H new ATOM 0 HB3 LEU A 91 -1.922 0.566 9.527 1.00 34.41 H new ATOM 0 HG LEU A 91 0.492 0.801 7.677 1.00 41.11 H new ATOM 0 HD11 LEU A 91 -0.615 -1.012 6.408 1.00 14.41 H new ATOM 0 HD12 LEU A 91 -0.219 -1.510 8.070 1.00 14.41 H new ATOM 0 HD13 LEU A 91 -1.894 -1.087 7.643 1.00 14.41 H new ATOM 0 HD21 LEU A 91 -1.100 1.385 5.882 1.00 71.54 H new ATOM 0 HD22 LEU A 91 -2.416 1.454 7.078 1.00 71.54 H new ATOM 0 HD23 LEU A 91 -1.068 2.612 7.171 1.00 71.54 H new ATOM 1506 N ASP A 92 -1.502 3.591 11.728 1.00 13.31 N ATOM 1507 CA ASP A 92 -1.919 3.868 13.101 1.00 2.01 C ATOM 1508 C ASP A 92 -3.150 3.021 13.400 1.00 45.03 C ATOM 1509 O ASP A 92 -4.138 3.080 12.664 1.00 50.35 O ATOM 1510 CB ASP A 92 -2.228 5.383 13.302 1.00 14.00 C ATOM 1511 CG ASP A 92 -3.015 5.672 14.599 1.00 20.12 C ATOM 1512 OD1 ASP A 92 -2.400 5.677 15.681 1.00 62.12 O ATOM 1513 OD2 ASP A 92 -4.262 5.835 14.547 1.00 60.24 O ATOM 0 H ASP A 92 -1.655 4.371 11.089 1.00 13.31 H new ATOM 0 HA ASP A 92 -1.112 3.615 13.789 1.00 2.01 H new ATOM 0 HB2 ASP A 92 -1.291 5.940 13.320 1.00 14.00 H new ATOM 0 HB3 ASP A 92 -2.799 5.748 12.448 1.00 14.00 H new ATOM 1518 N LEU A 93 -3.060 2.209 14.447 1.00 30.41 N ATOM 1519 CA LEU A 93 -4.186 1.428 14.961 1.00 3.22 C ATOM 1520 C LEU A 93 -4.488 1.882 16.398 1.00 32.41 C ATOM 1521 O LEU A 93 -5.080 1.146 17.183 1.00 41.30 O ATOM 1522 CB LEU A 93 -3.857 -0.089 14.866 1.00 3.41 C ATOM 1523 CG LEU A 93 -3.447 -0.617 13.447 1.00 44.23 C ATOM 1524 CD1 LEU A 93 -3.195 -2.138 13.466 1.00 32.23 C ATOM 1525 CD2 LEU A 93 -4.490 -0.235 12.371 1.00 61.40 C ATOM 0 H LEU A 93 -2.196 2.071 14.970 1.00 30.41 H new ATOM 0 HA LEU A 93 -5.082 1.595 14.364 1.00 3.22 H new ATOM 0 HB2 LEU A 93 -3.047 -0.309 15.561 1.00 3.41 H new ATOM 0 HB3 LEU A 93 -4.728 -0.651 15.203 1.00 3.41 H new ATOM 0 HG LEU A 93 -2.510 -0.128 13.179 1.00 44.23 H new ATOM 0 HD11 LEU A 93 -2.913 -2.473 12.468 1.00 32.23 H new ATOM 0 HD12 LEU A 93 -2.391 -2.365 14.166 1.00 32.23 H new ATOM 0 HD13 LEU A 93 -4.103 -2.653 13.778 1.00 32.23 H new ATOM 0 HD21 LEU A 93 -4.170 -0.618 11.402 1.00 61.40 H new ATOM 0 HD22 LEU A 93 -5.456 -0.667 12.631 1.00 61.40 H new ATOM 0 HD23 LEU A 93 -4.580 0.850 12.320 1.00 61.40 H new