USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 809 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 29 TYR OH : rot 139:sc= -0.812! USER MOD Set 1.2: A 97 THR OG1 : rot 180:sc= -0.37 USER MOD Single : A 9 SER OG : rot 180:sc=-0.00543 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.021) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= 0.0561 K(o=0.056,f=-4.9!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.204 X(o=-0.2,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.448 USER MOD Single : A 54 SER OG : rot 180:sc= 0.108 USER MOD Single : A 57 CYS SG : rot 60:sc= -0.331 USER MOD Single : A 59 GLN : amide:sc= -0.285 K(o=-0.29,f=-1.6) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.079) USER MOD Single : A 67 SER OG : rot -35:sc= 0.0105 USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0.206 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.191 K(o=-0.19,f=-2.2) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot -66:sc= 0.509 USER MOD Single : A 89 HIS : no HD1:sc= -0.465 K(o=-0.46,f=-4.6!) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 63 N ARG A 7 6.294 5.950 -3.855 1.00 4.42 N ATOM 64 CA ARG A 7 7.664 5.838 -3.368 1.00 22.30 C ATOM 65 C ARG A 7 8.240 4.458 -3.678 1.00 55.23 C ATOM 66 O ARG A 7 9.446 4.307 -3.876 1.00 41.34 O ATOM 67 CB ARG A 7 7.716 6.097 -1.862 1.00 34.14 C ATOM 68 CG ARG A 7 8.474 7.358 -1.486 1.00 43.44 C ATOM 69 CD ARG A 7 9.139 7.225 -0.125 1.00 61.31 C ATOM 70 NE ARG A 7 10.524 6.773 -0.235 1.00 3.32 N ATOM 71 CZ ARG A 7 11.271 6.435 0.810 1.00 45.21 C ATOM 72 NH1 ARG A 7 10.770 6.497 2.036 1.00 63.44 N ATOM 73 NH2 ARG A 7 12.524 6.034 0.630 1.00 54.23 N ATOM 0 HA ARG A 7 8.267 6.588 -3.879 1.00 22.30 H new ATOM 0 HB2 ARG A 7 6.698 6.168 -1.479 1.00 34.14 H new ATOM 0 HB3 ARG A 7 8.183 5.243 -1.371 1.00 34.14 H new ATOM 0 HG2 ARG A 7 9.230 7.568 -2.242 1.00 43.44 H new ATOM 0 HG3 ARG A 7 7.789 8.206 -1.476 1.00 43.44 H new ATOM 0 HD2 ARG A 7 9.111 8.186 0.388 1.00 61.31 H new ATOM 0 HD3 ARG A 7 8.575 6.521 0.487 1.00 61.31 H new ATOM 0 HE ARG A 7 10.940 6.714 -1.165 1.00 3.32 H new ATOM 0 HH11 ARG A 7 9.808 6.805 2.179 1.00 63.44 H new ATOM 0 HH12 ARG A 7 11.346 6.237 2.836 1.00 63.44 H new ATOM 0 HH21 ARG A 7 12.914 5.985 -0.311 1.00 54.23 H new ATOM 0 HH22 ARG A 7 13.097 5.775 1.433 1.00 54.23 H new ATOM 87 N LEU A 8 7.370 3.456 -3.716 1.00 74.41 N ATOM 88 CA LEU A 8 7.790 2.088 -4.002 1.00 5.25 C ATOM 89 C LEU A 8 8.269 1.955 -5.444 1.00 53.21 C ATOM 90 O LEU A 8 7.885 2.740 -6.311 1.00 3.55 O ATOM 91 CB LEU A 8 6.639 1.115 -3.742 1.00 22.13 C ATOM 92 CG LEU A 8 5.942 1.246 -2.387 1.00 34.23 C ATOM 93 CD1 LEU A 8 4.708 0.359 -2.334 1.00 51.40 C ATOM 94 CD2 LEU A 8 6.900 0.897 -1.258 1.00 1.23 C ATOM 0 H LEU A 8 6.369 3.564 -3.552 1.00 74.41 H new ATOM 0 HA LEU A 8 8.620 1.843 -3.340 1.00 5.25 H new ATOM 0 HB2 LEU A 8 5.893 1.248 -4.526 1.00 22.13 H new ATOM 0 HB3 LEU A 8 7.021 0.098 -3.835 1.00 22.13 H new ATOM 0 HG LEU A 8 5.626 2.282 -2.261 1.00 34.23 H new ATOM 0 HD11 LEU A 8 4.225 0.465 -1.363 1.00 51.40 H new ATOM 0 HD12 LEU A 8 4.013 0.656 -3.119 1.00 51.40 H new ATOM 0 HD13 LEU A 8 5.001 -0.681 -2.482 1.00 51.40 H new ATOM 0 HD21 LEU A 8 6.387 0.996 -0.302 1.00 1.23 H new ATOM 0 HD22 LEU A 8 7.247 -0.129 -1.379 1.00 1.23 H new ATOM 0 HD23 LEU A 8 7.754 1.574 -1.283 1.00 1.23 H new ATOM 106 N SER A 9 9.106 0.954 -5.694 1.00 71.10 N ATOM 107 CA SER A 9 9.638 0.718 -7.031 1.00 63.01 C ATOM 108 C SER A 9 9.378 -0.720 -7.473 1.00 41.53 C ATOM 109 O SER A 9 8.674 -1.470 -6.800 1.00 61.13 O ATOM 110 CB SER A 9 11.139 1.010 -7.064 1.00 42.35 C ATOM 111 OG SER A 9 11.890 -0.135 -6.700 1.00 10.44 O ATOM 0 H SER A 9 9.431 0.293 -4.988 1.00 71.10 H new ATOM 0 HA SER A 9 9.129 1.390 -7.722 1.00 63.01 H new ATOM 0 HB2 SER A 9 11.427 1.335 -8.064 1.00 42.35 H new ATOM 0 HB3 SER A 9 11.368 1.830 -6.384 1.00 42.35 H new ATOM 0 HG SER A 9 12.846 0.078 -6.731 1.00 10.44 H new ATOM 117 N GLY A 10 9.953 -1.094 -8.613 1.00 4.25 N ATOM 118 CA GLY A 10 9.773 -2.439 -9.127 1.00 32.03 C ATOM 119 C GLY A 10 10.049 -3.501 -8.081 1.00 75.43 C ATOM 120 O GLY A 10 9.298 -4.468 -7.956 1.00 31.25 O ATOM 0 H GLY A 10 10.539 -0.490 -9.189 1.00 4.25 H new ATOM 0 HA2 GLY A 10 8.753 -2.551 -9.494 1.00 32.03 H new ATOM 0 HA3 GLY A 10 10.436 -2.591 -9.979 1.00 32.03 H new ATOM 124 N GLY A 11 11.130 -3.323 -7.329 1.00 1.34 N ATOM 125 CA GLY A 11 11.484 -4.283 -6.300 1.00 5.14 C ATOM 126 C GLY A 11 10.372 -4.488 -5.290 1.00 45.50 C ATOM 127 O GLY A 11 9.879 -5.602 -5.119 1.00 3.31 O ATOM 0 H GLY A 11 11.767 -2.531 -7.414 1.00 1.34 H new ATOM 0 HA2 GLY A 11 11.727 -5.238 -6.766 1.00 5.14 H new ATOM 0 HA3 GLY A 11 12.381 -3.943 -5.783 1.00 5.14 H new ATOM 131 N GLU A 12 9.979 -3.410 -4.619 1.00 61.10 N ATOM 132 CA GLU A 12 8.920 -3.479 -3.619 1.00 51.30 C ATOM 133 C GLU A 12 7.579 -3.811 -4.268 1.00 22.43 C ATOM 134 O GLU A 12 6.655 -4.284 -3.603 1.00 42.21 O ATOM 135 CB GLU A 12 8.816 -2.153 -2.861 1.00 23.33 C ATOM 136 CG GLU A 12 8.855 -2.311 -1.351 1.00 12.23 C ATOM 137 CD GLU A 12 9.993 -1.539 -0.711 1.00 71.35 C ATOM 138 OE1 GLU A 12 10.009 -0.296 -0.835 1.00 62.14 O ATOM 139 OE2 GLU A 12 10.868 -2.177 -0.089 1.00 13.24 O ATOM 0 H GLU A 12 10.377 -2.480 -4.749 1.00 61.10 H new ATOM 0 HA GLU A 12 9.171 -4.273 -2.916 1.00 51.30 H new ATOM 0 HB2 GLU A 12 9.633 -1.502 -3.171 1.00 23.33 H new ATOM 0 HB3 GLU A 12 7.888 -1.655 -3.142 1.00 23.33 H new ATOM 0 HG2 GLU A 12 7.909 -1.971 -0.930 1.00 12.23 H new ATOM 0 HG3 GLU A 12 8.953 -3.368 -1.103 1.00 12.23 H new ATOM 146 N LEU A 13 7.481 -3.561 -5.568 1.00 35.42 N ATOM 147 CA LEU A 13 6.254 -3.834 -6.309 1.00 34.43 C ATOM 148 C LEU A 13 6.012 -5.335 -6.429 1.00 70.41 C ATOM 149 O LEU A 13 4.880 -5.778 -6.626 1.00 22.00 O ATOM 150 CB LEU A 13 6.323 -3.204 -7.701 1.00 24.35 C ATOM 151 CG LEU A 13 5.089 -3.387 -8.583 1.00 61.04 C ATOM 152 CD1 LEU A 13 3.919 -2.581 -8.040 1.00 10.22 C ATOM 153 CD2 LEU A 13 5.395 -2.985 -10.019 1.00 73.10 C ATOM 0 H LEU A 13 8.236 -3.170 -6.132 1.00 35.42 H new ATOM 0 HA LEU A 13 5.422 -3.394 -5.759 1.00 34.43 H new ATOM 0 HB2 LEU A 13 6.507 -2.136 -7.586 1.00 24.35 H new ATOM 0 HB3 LEU A 13 7.184 -3.621 -8.224 1.00 24.35 H new ATOM 0 HG LEU A 13 4.813 -4.441 -8.573 1.00 61.04 H new ATOM 0 HD11 LEU A 13 3.050 -2.724 -8.682 1.00 10.22 H new ATOM 0 HD12 LEU A 13 3.684 -2.916 -7.030 1.00 10.22 H new ATOM 0 HD13 LEU A 13 4.184 -1.524 -8.019 1.00 10.22 H new ATOM 0 HD21 LEU A 13 4.505 -3.122 -10.633 1.00 73.10 H new ATOM 0 HD22 LEU A 13 5.698 -1.938 -10.047 1.00 73.10 H new ATOM 0 HD23 LEU A 13 6.202 -3.607 -10.407 1.00 73.10 H new ATOM 165 N ASP A 14 7.082 -6.113 -6.307 1.00 75.02 N ATOM 166 CA ASP A 14 6.987 -7.566 -6.399 1.00 15.51 C ATOM 167 C ASP A 14 6.204 -8.134 -5.219 1.00 12.10 C ATOM 168 O ASP A 14 5.410 -9.062 -5.376 1.00 72.10 O ATOM 169 CB ASP A 14 8.382 -8.187 -6.448 1.00 23.24 C ATOM 170 CG ASP A 14 8.542 -9.162 -7.598 1.00 42.25 C ATOM 171 OD1 ASP A 14 8.844 -8.708 -8.722 1.00 43.34 O ATOM 172 OD2 ASP A 14 8.364 -10.378 -7.376 1.00 64.10 O ATOM 0 H ASP A 14 8.026 -5.762 -6.144 1.00 75.02 H new ATOM 0 HA ASP A 14 6.456 -7.814 -7.318 1.00 15.51 H new ATOM 0 HB2 ASP A 14 9.126 -7.396 -6.540 1.00 23.24 H new ATOM 0 HB3 ASP A 14 8.580 -8.702 -5.508 1.00 23.24 H new ATOM 177 N LYS A 15 6.433 -7.572 -4.038 1.00 53.40 N ATOM 178 CA LYS A 15 5.750 -8.021 -2.830 1.00 63.23 C ATOM 179 C LYS A 15 4.348 -7.426 -2.744 1.00 41.12 C ATOM 180 O LYS A 15 3.393 -8.113 -2.381 1.00 24.42 O ATOM 181 CB LYS A 15 6.557 -7.634 -1.589 1.00 63.10 C ATOM 182 CG LYS A 15 7.319 -8.795 -0.973 1.00 2.22 C ATOM 183 CD LYS A 15 7.833 -8.450 0.415 1.00 34.42 C ATOM 184 CE LYS A 15 8.869 -9.456 0.892 1.00 70.54 C ATOM 185 NZ LYS A 15 8.258 -10.781 1.192 1.00 61.52 N ATOM 0 H LYS A 15 7.087 -6.803 -3.891 1.00 53.40 H new ATOM 0 HA LYS A 15 5.663 -9.107 -2.875 1.00 63.23 H new ATOM 0 HB2 LYS A 15 7.263 -6.847 -1.856 1.00 63.10 H new ATOM 0 HB3 LYS A 15 5.882 -7.216 -0.842 1.00 63.10 H new ATOM 0 HG2 LYS A 15 6.669 -9.668 -0.915 1.00 2.22 H new ATOM 0 HG3 LYS A 15 8.157 -9.064 -1.616 1.00 2.22 H new ATOM 0 HD2 LYS A 15 8.271 -7.452 0.404 1.00 34.42 H new ATOM 0 HD3 LYS A 15 6.999 -8.424 1.117 1.00 34.42 H new ATOM 0 HE2 LYS A 15 9.638 -9.575 0.129 1.00 70.54 H new ATOM 0 HE3 LYS A 15 9.363 -9.073 1.785 1.00 70.54 H new ATOM 0 HZ1 LYS A 15 8.996 -11.439 1.514 1.00 61.52 H new ATOM 0 HZ2 LYS A 15 7.542 -10.672 1.938 1.00 61.52 H new ATOM 0 HZ3 LYS A 15 7.809 -11.158 0.333 1.00 61.52 H new ATOM 199 N TRP A 16 4.232 -6.147 -3.082 1.00 45.41 N ATOM 200 CA TRP A 16 2.946 -5.460 -3.045 1.00 21.25 C ATOM 201 C TRP A 16 1.911 -6.196 -3.890 1.00 1.14 C ATOM 202 O TRP A 16 0.738 -6.265 -3.527 1.00 1.23 O ATOM 203 CB TRP A 16 3.098 -4.021 -3.540 1.00 24.34 C ATOM 204 CG TRP A 16 1.796 -3.285 -3.635 1.00 24.14 C ATOM 205 CD1 TRP A 16 1.230 -2.762 -4.762 1.00 23.51 C ATOM 206 CD2 TRP A 16 0.900 -2.987 -2.558 1.00 24.01 C ATOM 207 NE1 TRP A 16 0.035 -2.158 -4.451 1.00 70.41 N ATOM 208 CE2 TRP A 16 -0.190 -2.283 -3.107 1.00 3.15 C ATOM 209 CE3 TRP A 16 0.911 -3.249 -1.185 1.00 72.34 C ATOM 210 CZ2 TRP A 16 -1.256 -1.838 -2.328 1.00 63.34 C ATOM 211 CZ3 TRP A 16 -0.147 -2.806 -0.415 1.00 24.32 C ATOM 212 CH2 TRP A 16 -1.219 -2.109 -0.987 1.00 45.42 C ATOM 0 H TRP A 16 5.013 -5.565 -3.385 1.00 45.41 H new ATOM 0 HA TRP A 16 2.600 -5.446 -2.012 1.00 21.25 H new ATOM 0 HB2 TRP A 16 3.764 -3.481 -2.867 1.00 24.34 H new ATOM 0 HB3 TRP A 16 3.574 -4.030 -4.520 1.00 24.34 H new ATOM 0 HD1 TRP A 16 1.658 -2.815 -5.752 1.00 23.51 H new ATOM 0 HE1 TRP A 16 -0.584 -1.692 -5.115 1.00 70.41 H new ATOM 0 HE3 TRP A 16 1.731 -3.788 -0.734 1.00 72.34 H new ATOM 0 HZ2 TRP A 16 -2.082 -1.298 -2.767 1.00 63.34 H new ATOM 0 HZ3 TRP A 16 -0.148 -3.001 0.647 1.00 24.32 H new ATOM 0 HH2 TRP A 16 -2.032 -1.779 -0.358 1.00 45.42 H new ATOM 223 N GLU A 17 2.355 -6.743 -5.016 1.00 63.11 N ATOM 224 CA GLU A 17 1.465 -7.472 -5.913 1.00 23.45 C ATOM 225 C GLU A 17 1.403 -8.949 -5.533 1.00 75.00 C ATOM 226 O GLU A 17 0.659 -9.725 -6.133 1.00 61.24 O ATOM 227 CB GLU A 17 1.934 -7.327 -7.361 1.00 75.33 C ATOM 228 CG GLU A 17 1.707 -5.939 -7.939 1.00 21.05 C ATOM 229 CD GLU A 17 1.513 -5.957 -9.442 1.00 51.41 C ATOM 230 OE1 GLU A 17 0.691 -6.764 -9.924 1.00 12.20 O ATOM 231 OE2 GLU A 17 2.183 -5.164 -10.136 1.00 71.35 O ATOM 0 H GLU A 17 3.324 -6.696 -5.329 1.00 63.11 H new ATOM 0 HA GLU A 17 0.466 -7.047 -5.818 1.00 23.45 H new ATOM 0 HB2 GLU A 17 2.996 -7.565 -7.415 1.00 75.33 H new ATOM 0 HB3 GLU A 17 1.412 -8.058 -7.978 1.00 75.33 H new ATOM 0 HG2 GLU A 17 0.831 -5.493 -7.469 1.00 21.05 H new ATOM 0 HG3 GLU A 17 2.558 -5.304 -7.694 1.00 21.05 H new ATOM 238 N LYS A 18 2.187 -9.330 -4.531 1.00 25.24 N ATOM 239 CA LYS A 18 2.222 -10.713 -4.069 1.00 65.13 C ATOM 240 C LYS A 18 1.052 -11.004 -3.134 1.00 43.14 C ATOM 241 O LYS A 18 0.650 -12.155 -2.968 1.00 70.12 O ATOM 242 CB LYS A 18 3.544 -11.000 -3.352 1.00 62.55 C ATOM 243 CG LYS A 18 3.927 -12.470 -3.349 1.00 32.53 C ATOM 244 CD LYS A 18 3.798 -13.076 -1.962 1.00 52.02 C ATOM 245 CE LYS A 18 3.308 -14.515 -2.025 1.00 74.14 C ATOM 246 NZ LYS A 18 4.342 -15.430 -2.582 1.00 11.41 N ATOM 0 H LYS A 18 2.808 -8.700 -4.022 1.00 25.24 H new ATOM 0 HA LYS A 18 2.139 -11.363 -4.940 1.00 65.13 H new ATOM 0 HB2 LYS A 18 4.339 -10.427 -3.830 1.00 62.55 H new ATOM 0 HB3 LYS A 18 3.473 -10.649 -2.322 1.00 62.55 H new ATOM 0 HG2 LYS A 18 3.290 -13.015 -4.046 1.00 32.53 H new ATOM 0 HG3 LYS A 18 4.952 -12.581 -3.702 1.00 32.53 H new ATOM 0 HD2 LYS A 18 4.764 -13.041 -1.457 1.00 52.02 H new ATOM 0 HD3 LYS A 18 3.106 -12.481 -1.367 1.00 52.02 H new ATOM 0 HE2 LYS A 18 3.030 -14.848 -1.025 1.00 74.14 H new ATOM 0 HE3 LYS A 18 2.409 -14.566 -2.640 1.00 74.14 H new ATOM 0 HZ1 LYS A 18 3.969 -16.400 -2.608 1.00 11.41 H new ATOM 0 HZ2 LYS A 18 4.590 -15.128 -3.546 1.00 11.41 H new ATOM 0 HZ3 LYS A 18 5.191 -15.401 -1.982 1.00 11.41 H new ATOM 260 N ILE A 19 0.510 -9.952 -2.528 1.00 34.35 N ATOM 261 CA ILE A 19 -0.615 -10.096 -1.612 1.00 61.24 C ATOM 262 C ILE A 19 -1.935 -10.183 -2.372 1.00 64.24 C ATOM 263 O ILE A 19 -2.251 -9.317 -3.188 1.00 3.43 O ATOM 264 CB ILE A 19 -0.685 -8.922 -0.618 1.00 62.30 C ATOM 265 CG1 ILE A 19 0.661 -8.742 0.087 1.00 54.23 C ATOM 266 CG2 ILE A 19 -1.793 -9.154 0.398 1.00 55.25 C ATOM 267 CD1 ILE A 19 1.421 -7.515 -0.366 1.00 52.23 C ATOM 0 H ILE A 19 0.831 -8.992 -2.655 1.00 34.35 H new ATOM 0 HA ILE A 19 -0.455 -11.021 -1.059 1.00 61.24 H new ATOM 0 HB ILE A 19 -0.910 -8.010 -1.171 1.00 62.30 H new ATOM 0 HG12 ILE A 19 0.493 -8.679 1.162 1.00 54.23 H new ATOM 0 HG13 ILE A 19 1.275 -9.625 -0.089 1.00 54.23 H new ATOM 0 HG21 ILE A 19 -1.830 -8.316 1.094 1.00 55.25 H new ATOM 0 HG22 ILE A 19 -2.749 -9.239 -0.119 1.00 55.25 H new ATOM 0 HG23 ILE A 19 -1.595 -10.074 0.948 1.00 55.25 H new ATOM 0 HD11 ILE A 19 2.365 -7.451 0.176 1.00 52.23 H new ATOM 0 HD12 ILE A 19 1.620 -7.585 -1.435 1.00 52.23 H new ATOM 0 HD13 ILE A 19 0.826 -6.624 -0.165 1.00 52.23 H new ATOM 279 N ARG A 20 -2.700 -11.234 -2.099 1.00 14.42 N ATOM 280 CA ARG A 20 -3.987 -11.433 -2.757 1.00 23.44 C ATOM 281 C ARG A 20 -5.111 -10.769 -1.967 1.00 5.22 C ATOM 282 O ARG A 20 -5.225 -10.953 -0.754 1.00 21.20 O ATOM 283 CB ARG A 20 -4.276 -12.927 -2.915 1.00 64.53 C ATOM 284 CG ARG A 20 -3.454 -13.594 -4.007 1.00 24.12 C ATOM 285 CD ARG A 20 -2.509 -14.639 -3.433 1.00 43.55 C ATOM 286 NE ARG A 20 -3.035 -15.992 -3.579 1.00 51.01 N ATOM 287 CZ ARG A 20 -3.024 -16.666 -4.723 1.00 74.41 C ATOM 288 NH1 ARG A 20 -2.516 -16.115 -5.816 1.00 43.34 N ATOM 289 NH2 ARG A 20 -3.523 -17.895 -4.777 1.00 2.24 N ATOM 0 H ARG A 20 -2.452 -11.961 -1.428 1.00 14.42 H new ATOM 0 HA ARG A 20 -3.937 -10.971 -3.743 1.00 23.44 H new ATOM 0 HB2 ARG A 20 -4.081 -13.429 -1.967 1.00 64.53 H new ATOM 0 HB3 ARG A 20 -5.335 -13.062 -3.135 1.00 64.53 H new ATOM 0 HG2 ARG A 20 -4.121 -14.063 -4.731 1.00 24.12 H new ATOM 0 HG3 ARG A 20 -2.880 -12.839 -4.545 1.00 24.12 H new ATOM 0 HD2 ARG A 20 -1.544 -14.569 -3.935 1.00 43.55 H new ATOM 0 HD3 ARG A 20 -2.335 -14.430 -2.377 1.00 43.55 H new ATOM 0 HE ARG A 20 -3.433 -16.445 -2.757 1.00 51.01 H new ATOM 0 HH11 ARG A 20 -2.132 -15.171 -5.780 1.00 43.34 H new ATOM 0 HH12 ARG A 20 -2.509 -16.635 -6.693 1.00 43.34 H new ATOM 0 HH21 ARG A 20 -3.916 -18.323 -3.939 1.00 2.24 H new ATOM 0 HH22 ARG A 20 -3.514 -18.411 -5.657 1.00 2.24 H new ATOM 303 N LEU A 21 -5.937 -9.995 -2.661 1.00 51.04 N ATOM 304 CA LEU A 21 -7.051 -9.301 -2.026 1.00 74.31 C ATOM 305 C LEU A 21 -7.984 -10.290 -1.333 1.00 24.33 C ATOM 306 O LEU A 21 -8.403 -10.071 -0.197 1.00 32.14 O ATOM 307 CB LEU A 21 -7.830 -8.489 -3.062 1.00 4.54 C ATOM 308 CG LEU A 21 -7.186 -7.175 -3.506 1.00 31.13 C ATOM 309 CD1 LEU A 21 -7.919 -6.602 -4.708 1.00 55.33 C ATOM 310 CD2 LEU A 21 -7.173 -6.174 -2.359 1.00 41.24 C ATOM 0 H LEU A 21 -5.856 -9.832 -3.665 1.00 51.04 H new ATOM 0 HA LEU A 21 -6.644 -8.624 -1.275 1.00 74.31 H new ATOM 0 HB2 LEU A 21 -7.982 -9.112 -3.943 1.00 4.54 H new ATOM 0 HB3 LEU A 21 -8.816 -8.268 -2.654 1.00 4.54 H new ATOM 0 HG LEU A 21 -6.155 -7.377 -3.797 1.00 31.13 H new ATOM 0 HD11 LEU A 21 -7.447 -5.667 -5.010 1.00 55.33 H new ATOM 0 HD12 LEU A 21 -7.877 -7.313 -5.533 1.00 55.33 H new ATOM 0 HD13 LEU A 21 -8.960 -6.414 -4.444 1.00 55.33 H new ATOM 0 HD21 LEU A 21 -6.711 -5.245 -2.692 1.00 41.24 H new ATOM 0 HD22 LEU A 21 -8.195 -5.976 -2.037 1.00 41.24 H new ATOM 0 HD23 LEU A 21 -6.603 -6.584 -1.525 1.00 41.24 H new ATOM 322 N ARG A 22 -8.303 -11.379 -2.025 1.00 21.03 N ATOM 323 CA ARG A 22 -9.184 -12.403 -1.476 1.00 13.14 C ATOM 324 C ARG A 22 -8.385 -13.617 -1.011 1.00 11.41 C ATOM 325 O ARG A 22 -7.249 -13.841 -1.430 1.00 12.34 O ATOM 326 CB ARG A 22 -10.218 -12.829 -2.520 1.00 63.23 C ATOM 327 CG ARG A 22 -11.416 -11.897 -2.607 1.00 63.21 C ATOM 328 CD ARG A 22 -12.496 -12.284 -1.609 1.00 64.31 C ATOM 329 NE ARG A 22 -12.222 -11.758 -0.274 1.00 74.42 N ATOM 330 CZ ARG A 22 -12.988 -12.003 0.784 1.00 62.21 C ATOM 331 NH1 ARG A 22 -14.068 -12.762 0.663 1.00 74.32 N ATOM 332 NH2 ARG A 22 -12.672 -11.489 1.965 1.00 25.14 N ATOM 0 H ARG A 22 -7.964 -11.575 -2.967 1.00 21.03 H new ATOM 0 HA ARG A 22 -9.700 -11.978 -0.615 1.00 13.14 H new ATOM 0 HB2 ARG A 22 -9.736 -12.880 -3.496 1.00 63.23 H new ATOM 0 HB3 ARG A 22 -10.567 -13.834 -2.284 1.00 63.23 H new ATOM 0 HG2 ARG A 22 -11.096 -10.872 -2.419 1.00 63.21 H new ATOM 0 HG3 ARG A 22 -11.826 -11.923 -3.617 1.00 63.21 H new ATOM 0 HD2 ARG A 22 -13.460 -11.910 -1.955 1.00 64.31 H new ATOM 0 HD3 ARG A 22 -12.573 -13.370 -1.562 1.00 64.31 H new ATOM 0 HE ARG A 22 -11.398 -11.171 -0.147 1.00 74.42 H new ATOM 0 HH11 ARG A 22 -14.313 -13.160 -0.244 1.00 74.32 H new ATOM 0 HH12 ARG A 22 -14.654 -12.948 1.477 1.00 74.32 H new ATOM 0 HH21 ARG A 22 -11.841 -10.906 2.061 1.00 25.14 H new ATOM 0 HH22 ARG A 22 -13.260 -11.677 2.777 1.00 25.14 H new ATOM 346 N PRO A 23 -8.991 -14.418 -0.122 1.00 72.41 N ATOM 347 CA PRO A 23 -8.354 -15.623 0.419 1.00 1.34 C ATOM 348 C PRO A 23 -8.213 -16.723 -0.626 1.00 64.42 C ATOM 349 O PRO A 23 -7.143 -17.309 -0.784 1.00 5.33 O ATOM 350 CB PRO A 23 -9.311 -16.061 1.531 1.00 54.53 C ATOM 351 CG PRO A 23 -10.635 -15.505 1.132 1.00 61.13 C ATOM 352 CD PRO A 23 -10.344 -14.212 0.421 1.00 31.24 C ATOM 0 HA PRO A 23 -7.339 -15.427 0.764 1.00 1.34 H new ATOM 0 HB2 PRO A 23 -9.347 -17.147 1.617 1.00 54.53 H new ATOM 0 HB3 PRO A 23 -8.995 -15.675 2.500 1.00 54.53 H new ATOM 0 HG2 PRO A 23 -11.169 -16.197 0.481 1.00 61.13 H new ATOM 0 HG3 PRO A 23 -11.267 -15.337 2.004 1.00 61.13 H new ATOM 0 HD2 PRO A 23 -11.069 -14.016 -0.369 1.00 31.24 H new ATOM 0 HD3 PRO A 23 -10.378 -13.362 1.103 1.00 31.24 H new ATOM 360 N GLY A 24 -9.301 -17.001 -1.339 1.00 2.33 N ATOM 361 CA GLY A 24 -9.276 -18.031 -2.361 1.00 25.35 C ATOM 362 C GLY A 24 -9.191 -17.457 -3.760 1.00 60.34 C ATOM 363 O GLY A 24 -8.667 -18.097 -4.671 1.00 74.14 O ATOM 0 H GLY A 24 -10.199 -16.531 -1.227 1.00 2.33 H new ATOM 0 HA2 GLY A 24 -8.424 -18.689 -2.189 1.00 25.35 H new ATOM 0 HA3 GLY A 24 -10.174 -18.644 -2.277 1.00 25.35 H new ATOM 367 N GLY A 25 -9.710 -16.245 -3.934 1.00 1.11 N ATOM 368 CA GLY A 25 -9.682 -15.606 -5.237 1.00 0.41 C ATOM 369 C GLY A 25 -8.275 -15.461 -5.782 1.00 42.14 C ATOM 370 O GLY A 25 -7.312 -15.916 -5.164 1.00 41.30 O ATOM 0 H GLY A 25 -10.149 -15.695 -3.196 1.00 1.11 H new ATOM 0 HA2 GLY A 25 -10.281 -16.189 -5.937 1.00 0.41 H new ATOM 0 HA3 GLY A 25 -10.144 -14.621 -5.165 1.00 0.41 H new ATOM 374 N LYS A 26 -8.155 -14.828 -6.944 1.00 25.24 N ATOM 375 CA LYS A 26 -6.856 -14.624 -7.574 1.00 65.10 C ATOM 376 C LYS A 26 -6.534 -13.138 -7.690 1.00 51.43 C ATOM 377 O LYS A 26 -5.577 -12.749 -8.360 1.00 50.35 O ATOM 378 CB LYS A 26 -6.830 -15.273 -8.960 1.00 10.22 C ATOM 379 CG LYS A 26 -6.498 -16.755 -8.932 1.00 42.34 C ATOM 380 CD LYS A 26 -6.920 -17.445 -10.218 1.00 54.34 C ATOM 381 CE LYS A 26 -6.746 -18.953 -10.125 1.00 74.02 C ATOM 382 NZ LYS A 26 -8.054 -19.664 -10.136 1.00 14.34 N ATOM 0 H LYS A 26 -8.942 -14.447 -7.469 1.00 25.24 H new ATOM 0 HA LYS A 26 -6.099 -15.093 -6.946 1.00 65.10 H new ATOM 0 HB2 LYS A 26 -7.802 -15.136 -9.434 1.00 10.22 H new ATOM 0 HB3 LYS A 26 -6.097 -14.757 -9.580 1.00 10.22 H new ATOM 0 HG2 LYS A 26 -5.426 -16.886 -8.782 1.00 42.34 H new ATOM 0 HG3 LYS A 26 -6.998 -17.225 -8.085 1.00 42.34 H new ATOM 0 HD2 LYS A 26 -7.963 -17.211 -10.433 1.00 54.34 H new ATOM 0 HD3 LYS A 26 -6.329 -17.060 -11.049 1.00 54.34 H new ATOM 0 HE2 LYS A 26 -6.137 -19.300 -10.959 1.00 74.02 H new ATOM 0 HE3 LYS A 26 -6.206 -19.201 -9.211 1.00 74.02 H new ATOM 0 HZ1 LYS A 26 -7.892 -20.689 -10.071 1.00 14.34 H new ATOM 0 HZ2 LYS A 26 -8.626 -19.352 -9.325 1.00 14.34 H new ATOM 0 HZ3 LYS A 26 -8.559 -19.448 -11.019 1.00 14.34 H new ATOM 396 N LYS A 27 -7.339 -12.310 -7.032 1.00 41.45 N ATOM 397 CA LYS A 27 -7.139 -10.866 -7.059 1.00 2.53 C ATOM 398 C LYS A 27 -5.976 -10.460 -6.159 1.00 74.13 C ATOM 399 O LYS A 27 -5.705 -11.112 -5.151 1.00 44.10 O ATOM 400 CB LYS A 27 -8.415 -10.146 -6.618 1.00 14.33 C ATOM 401 CG LYS A 27 -9.659 -10.601 -7.360 1.00 62.32 C ATOM 402 CD LYS A 27 -10.760 -9.556 -7.299 1.00 24.31 C ATOM 403 CE LYS A 27 -11.803 -9.907 -6.249 1.00 75.21 C ATOM 404 NZ LYS A 27 -12.331 -8.695 -5.564 1.00 52.54 N ATOM 0 H LYS A 27 -8.136 -12.615 -6.473 1.00 41.45 H new ATOM 0 HA LYS A 27 -6.901 -10.576 -8.082 1.00 2.53 H new ATOM 0 HB2 LYS A 27 -8.561 -10.305 -5.550 1.00 14.33 H new ATOM 0 HB3 LYS A 27 -8.286 -9.074 -6.766 1.00 14.33 H new ATOM 0 HG2 LYS A 27 -9.408 -10.806 -8.401 1.00 62.32 H new ATOM 0 HG3 LYS A 27 -10.019 -11.535 -6.929 1.00 62.32 H new ATOM 0 HD2 LYS A 27 -10.327 -8.582 -7.072 1.00 24.31 H new ATOM 0 HD3 LYS A 27 -11.238 -9.472 -8.275 1.00 24.31 H new ATOM 0 HE2 LYS A 27 -12.626 -10.445 -6.720 1.00 75.21 H new ATOM 0 HE3 LYS A 27 -11.364 -10.579 -5.511 1.00 75.21 H new ATOM 0 HZ1 LYS A 27 -13.039 -8.977 -4.856 1.00 52.54 H new ATOM 0 HZ2 LYS A 27 -11.550 -8.195 -5.093 1.00 52.54 H new ATOM 0 HZ3 LYS A 27 -12.773 -8.065 -6.264 1.00 52.54 H new ATOM 418 N GLN A 28 -5.295 -9.381 -6.529 1.00 55.54 N ATOM 419 CA GLN A 28 -4.163 -8.889 -5.754 1.00 44.30 C ATOM 420 C GLN A 28 -4.192 -7.367 -5.653 1.00 43.03 C ATOM 421 O GLN A 28 -5.152 -6.725 -6.081 1.00 44.20 O ATOM 422 CB GLN A 28 -2.848 -9.345 -6.388 1.00 3.35 C ATOM 423 CG GLN A 28 -2.685 -10.856 -6.431 1.00 21.13 C ATOM 424 CD GLN A 28 -1.832 -11.318 -7.595 1.00 43.03 C ATOM 425 OE1 GLN A 28 -2.220 -11.185 -8.756 1.00 32.52 O ATOM 426 NE2 GLN A 28 -0.660 -11.865 -7.290 1.00 44.34 N ATOM 0 H GLN A 28 -5.508 -8.831 -7.361 1.00 55.54 H new ATOM 0 HA GLN A 28 -4.236 -9.303 -4.748 1.00 44.30 H new ATOM 0 HB2 GLN A 28 -2.788 -8.952 -7.403 1.00 3.35 H new ATOM 0 HB3 GLN A 28 -2.017 -8.914 -5.830 1.00 3.35 H new ATOM 0 HG2 GLN A 28 -2.235 -11.196 -5.498 1.00 21.13 H new ATOM 0 HG3 GLN A 28 -3.668 -11.322 -6.499 1.00 21.13 H new ATOM 0 HE21 GLN A 28 -0.378 -11.956 -6.314 1.00 44.34 H new ATOM 0 HE22 GLN A 28 -0.042 -12.194 -8.032 1.00 44.34 H new ATOM 435 N TYR A 29 -3.135 -6.797 -5.086 1.00 1.05 N ATOM 436 CA TYR A 29 -3.040 -5.351 -4.927 1.00 51.41 C ATOM 437 C TYR A 29 -2.284 -4.722 -6.093 1.00 20.30 C ATOM 438 O TYR A 29 -1.404 -5.346 -6.687 1.00 32.31 O ATOM 439 CB TYR A 29 -2.345 -5.006 -3.608 1.00 0.10 C ATOM 440 CG TYR A 29 -3.248 -5.117 -2.401 1.00 13.53 C ATOM 441 CD1 TYR A 29 -4.095 -4.075 -2.044 1.00 40.53 C ATOM 442 CD2 TYR A 29 -3.254 -6.263 -1.616 1.00 24.01 C ATOM 443 CE1 TYR A 29 -4.921 -4.171 -0.941 1.00 23.30 C ATOM 444 CE2 TYR A 29 -4.077 -6.369 -0.512 1.00 34.13 C ATOM 445 CZ TYR A 29 -4.910 -5.320 -0.178 1.00 64.23 C ATOM 446 OH TYR A 29 -5.730 -5.421 0.921 1.00 34.04 O ATOM 0 H TYR A 29 -2.332 -7.314 -4.729 1.00 1.05 H new ATOM 0 HA TYR A 29 -4.052 -4.946 -4.914 1.00 51.41 H new ATOM 0 HB2 TYR A 29 -1.490 -5.668 -3.474 1.00 0.10 H new ATOM 0 HB3 TYR A 29 -1.955 -3.990 -3.667 1.00 0.10 H new ATOM 0 HD1 TYR A 29 -4.108 -3.174 -2.639 1.00 40.53 H new ATOM 0 HD2 TYR A 29 -2.604 -7.086 -1.874 1.00 24.01 H new ATOM 0 HE1 TYR A 29 -5.572 -3.351 -0.677 1.00 23.30 H new ATOM 0 HE2 TYR A 29 -4.069 -7.268 0.087 1.00 34.13 H new ATOM 0 HH TYR A 29 -6.115 -6.322 0.961 1.00 34.04 H new ATOM 456 N LYS A 30 -2.632 -3.482 -6.415 1.00 43.25 N ATOM 457 CA LYS A 30 -1.986 -2.765 -7.509 1.00 50.53 C ATOM 458 C LYS A 30 -1.827 -1.286 -7.172 1.00 11.23 C ATOM 459 O LYS A 30 -2.329 -0.814 -6.151 1.00 2.34 O ATOM 460 CB LYS A 30 -2.797 -2.920 -8.798 1.00 23.43 C ATOM 461 CG LYS A 30 -2.163 -3.863 -9.805 1.00 25.43 C ATOM 462 CD LYS A 30 -2.763 -5.256 -9.720 1.00 75.54 C ATOM 463 CE LYS A 30 -2.522 -6.045 -10.998 1.00 62.21 C ATOM 464 NZ LYS A 30 -3.661 -6.952 -11.313 1.00 32.20 N ATOM 0 H LYS A 30 -3.358 -2.951 -5.934 1.00 43.25 H new ATOM 0 HA LYS A 30 -0.995 -3.195 -7.656 1.00 50.53 H new ATOM 0 HB2 LYS A 30 -3.794 -3.284 -8.549 1.00 23.43 H new ATOM 0 HB3 LYS A 30 -2.922 -1.940 -9.259 1.00 23.43 H new ATOM 0 HG2 LYS A 30 -2.300 -3.468 -10.811 1.00 25.43 H new ATOM 0 HG3 LYS A 30 -1.089 -3.917 -9.628 1.00 25.43 H new ATOM 0 HD2 LYS A 30 -2.329 -5.789 -8.874 1.00 75.54 H new ATOM 0 HD3 LYS A 30 -3.834 -5.181 -9.534 1.00 75.54 H new ATOM 0 HE2 LYS A 30 -2.367 -5.355 -11.827 1.00 62.21 H new ATOM 0 HE3 LYS A 30 -1.609 -6.631 -10.896 1.00 62.21 H new ATOM 0 HZ1 LYS A 30 -3.458 -7.472 -12.191 1.00 32.20 H new ATOM 0 HZ2 LYS A 30 -3.793 -7.627 -10.533 1.00 32.20 H new ATOM 0 HZ3 LYS A 30 -4.528 -6.391 -11.435 1.00 32.20 H new ATOM 478 N LEU A 31 -1.127 -0.559 -8.035 1.00 51.34 N ATOM 479 CA LEU A 31 -0.905 0.868 -7.830 1.00 4.24 C ATOM 480 C LEU A 31 -2.223 1.598 -7.594 1.00 3.10 C ATOM 481 O LEU A 31 -2.276 2.588 -6.863 1.00 44.11 O ATOM 482 CB LEU A 31 -0.183 1.471 -9.037 1.00 11.02 C ATOM 483 CG LEU A 31 1.137 0.809 -9.430 1.00 1.12 C ATOM 484 CD1 LEU A 31 1.390 0.966 -10.921 1.00 33.43 C ATOM 485 CD2 LEU A 31 2.289 1.397 -8.627 1.00 0.33 C ATOM 0 H LEU A 31 -0.703 -0.934 -8.884 1.00 51.34 H new ATOM 0 HA LEU A 31 -0.282 0.989 -6.944 1.00 4.24 H new ATOM 0 HB2 LEU A 31 -0.855 1.431 -9.894 1.00 11.02 H new ATOM 0 HB3 LEU A 31 0.009 2.524 -8.831 1.00 11.02 H new ATOM 0 HG LEU A 31 1.069 -0.255 -9.204 1.00 1.12 H new ATOM 0 HD11 LEU A 31 2.334 0.488 -11.182 1.00 33.43 H new ATOM 0 HD12 LEU A 31 0.580 0.497 -11.479 1.00 33.43 H new ATOM 0 HD13 LEU A 31 1.438 2.026 -11.172 1.00 33.43 H new ATOM 0 HD21 LEU A 31 3.221 0.914 -8.920 1.00 0.33 H new ATOM 0 HD22 LEU A 31 2.359 2.467 -8.821 1.00 0.33 H new ATOM 0 HD23 LEU A 31 2.113 1.232 -7.564 1.00 0.33 H new ATOM 497 N LYS A 32 -3.287 1.101 -8.215 1.00 2.11 N ATOM 498 CA LYS A 32 -4.607 1.702 -8.071 1.00 12.30 C ATOM 499 C LYS A 32 -4.912 2.003 -6.607 1.00 24.54 C ATOM 500 O LYS A 32 -5.433 3.069 -6.277 1.00 54.20 O ATOM 501 CB LYS A 32 -5.679 0.772 -8.645 1.00 1.32 C ATOM 502 CG LYS A 32 -6.789 1.504 -9.379 1.00 12.20 C ATOM 503 CD LYS A 32 -7.314 0.691 -10.551 1.00 61.31 C ATOM 504 CE LYS A 32 -8.085 1.560 -11.532 1.00 34.32 C ATOM 505 NZ LYS A 32 -9.106 0.777 -12.283 1.00 31.44 N ATOM 0 H LYS A 32 -3.261 0.283 -8.823 1.00 2.11 H new ATOM 0 HA LYS A 32 -4.613 2.640 -8.625 1.00 12.30 H new ATOM 0 HB2 LYS A 32 -5.207 0.066 -9.328 1.00 1.32 H new ATOM 0 HB3 LYS A 32 -6.114 0.189 -7.834 1.00 1.32 H new ATOM 0 HG2 LYS A 32 -7.605 1.716 -8.688 1.00 12.20 H new ATOM 0 HG3 LYS A 32 -6.418 2.464 -9.738 1.00 12.20 H new ATOM 0 HD2 LYS A 32 -6.481 0.212 -11.065 1.00 61.31 H new ATOM 0 HD3 LYS A 32 -7.961 -0.105 -10.182 1.00 61.31 H new ATOM 0 HE2 LYS A 32 -8.574 2.371 -10.992 1.00 34.32 H new ATOM 0 HE3 LYS A 32 -7.390 2.019 -12.235 1.00 34.32 H new ATOM 0 HZ1 LYS A 32 -9.610 1.405 -12.941 1.00 31.44 H new ATOM 0 HZ2 LYS A 32 -8.637 0.019 -12.818 1.00 31.44 H new ATOM 0 HZ3 LYS A 32 -9.785 0.360 -11.614 1.00 31.44 H new ATOM 519 N HIS A 33 -4.581 1.058 -5.733 1.00 14.44 N ATOM 520 CA HIS A 33 -4.818 1.223 -4.302 1.00 31.20 C ATOM 521 C HIS A 33 -3.846 2.237 -3.706 1.00 45.50 C ATOM 522 O HIS A 33 -4.309 3.076 -2.932 1.00 42.12 O ATOM 523 CB HIS A 33 -4.678 -0.118 -3.582 1.00 65.55 C ATOM 524 CG HIS A 33 -5.465 -1.224 -4.217 1.00 43.15 C ATOM 525 ND1 HIS A 33 -4.877 -2.302 -4.844 1.00 73.43 N ATOM 526 CD2 HIS A 33 -6.801 -1.414 -4.318 1.00 72.32 C ATOM 527 CE1 HIS A 33 -5.819 -3.107 -5.304 1.00 43.34 C ATOM 528 NE2 HIS A 33 -6.995 -2.591 -4.998 1.00 33.13 N ATOM 0 H HIS A 33 -4.148 0.171 -5.989 1.00 14.44 H new ATOM 0 HA HIS A 33 -5.834 1.594 -4.167 1.00 31.20 H new ATOM 0 HB2 HIS A 33 -3.625 -0.400 -3.558 1.00 65.55 H new ATOM 0 HB3 HIS A 33 -5.001 -0.001 -2.547 1.00 65.55 H new ATOM 0 HD2 HIS A 33 -7.571 -0.761 -3.935 1.00 72.32 H new ATOM 0 HE1 HIS A 33 -5.655 -4.030 -5.839 1.00 43.34 H new ATOM 0 HE2 HIS A 33 -7.900 -3.000 -5.229 1.00 33.13 H new ATOM 536 N ILE A 34 -2.559 2.185 -4.031 1.00 40.00 N ATOM 537 CA ILE A 34 -1.594 3.132 -3.487 1.00 40.20 C ATOM 538 C ILE A 34 -2.025 4.570 -3.755 1.00 34.01 C ATOM 539 O ILE A 34 -1.914 5.436 -2.887 1.00 13.21 O ATOM 540 CB ILE A 34 -0.191 2.910 -4.080 1.00 0.42 C ATOM 541 CG1 ILE A 34 0.331 1.521 -3.706 1.00 44.34 C ATOM 542 CG2 ILE A 34 0.766 3.989 -3.596 1.00 2.23 C ATOM 543 CD1 ILE A 34 1.142 0.865 -4.801 1.00 42.43 C ATOM 0 H ILE A 34 -2.160 1.496 -4.669 1.00 40.00 H new ATOM 0 HA ILE A 34 -1.556 2.960 -2.411 1.00 40.20 H new ATOM 0 HB ILE A 34 -0.258 2.972 -5.166 1.00 0.42 H new ATOM 0 HG12 ILE A 34 0.945 1.602 -2.809 1.00 44.34 H new ATOM 0 HG13 ILE A 34 -0.514 0.879 -3.457 1.00 44.34 H new ATOM 0 HG21 ILE A 34 1.754 3.818 -4.024 1.00 2.23 H new ATOM 0 HG22 ILE A 34 0.400 4.967 -3.908 1.00 2.23 H new ATOM 0 HG23 ILE A 34 0.831 3.956 -2.508 1.00 2.23 H new ATOM 0 HD11 ILE A 34 1.479 -0.116 -4.466 1.00 42.43 H new ATOM 0 HD12 ILE A 34 0.525 0.752 -5.693 1.00 42.43 H new ATOM 0 HD13 ILE A 34 2.007 1.486 -5.035 1.00 42.43 H new ATOM 555 N VAL A 35 -2.520 4.818 -4.964 1.00 11.11 N ATOM 556 CA VAL A 35 -2.972 6.151 -5.346 1.00 70.03 C ATOM 557 C VAL A 35 -4.195 6.570 -4.538 1.00 2.01 C ATOM 558 O VAL A 35 -4.164 7.570 -3.821 1.00 34.32 O ATOM 559 CB VAL A 35 -3.314 6.219 -6.847 1.00 62.51 C ATOM 560 CG1 VAL A 35 -3.837 7.599 -7.214 1.00 31.01 C ATOM 561 CG2 VAL A 35 -2.097 5.859 -7.687 1.00 54.31 C ATOM 0 H VAL A 35 -2.618 4.114 -5.695 1.00 11.11 H new ATOM 0 HA VAL A 35 -2.150 6.836 -5.136 1.00 70.03 H new ATOM 0 HB VAL A 35 -4.099 5.493 -7.057 1.00 62.51 H new ATOM 0 HG11 VAL A 35 -4.073 7.628 -8.278 1.00 31.01 H new ATOM 0 HG12 VAL A 35 -4.737 7.812 -6.637 1.00 31.01 H new ATOM 0 HG13 VAL A 35 -3.077 8.347 -6.991 1.00 31.01 H new ATOM 0 HG21 VAL A 35 -2.356 5.912 -8.744 1.00 54.31 H new ATOM 0 HG22 VAL A 35 -1.289 6.559 -7.476 1.00 54.31 H new ATOM 0 HG23 VAL A 35 -1.773 4.847 -7.443 1.00 54.31 H new ATOM 571 N TRP A 36 -5.270 5.799 -4.660 1.00 2.34 N ATOM 572 CA TRP A 36 -6.504 6.090 -3.939 1.00 63.34 C ATOM 573 C TRP A 36 -6.229 6.314 -2.456 1.00 41.12 C ATOM 574 O TRP A 36 -6.782 7.226 -1.844 1.00 51.15 O ATOM 575 CB TRP A 36 -7.505 4.947 -4.118 1.00 10.00 C ATOM 576 CG TRP A 36 -8.815 5.192 -3.433 1.00 55.24 C ATOM 577 CD1 TRP A 36 -9.812 6.029 -3.847 1.00 41.34 C ATOM 578 CD2 TRP A 36 -9.269 4.597 -2.213 1.00 52.05 C ATOM 579 NE1 TRP A 36 -10.859 5.989 -2.958 1.00 24.33 N ATOM 580 CE2 TRP A 36 -10.551 5.117 -1.947 1.00 64.12 C ATOM 581 CE3 TRP A 36 -8.719 3.673 -1.321 1.00 12.11 C ATOM 582 CZ2 TRP A 36 -11.287 4.744 -0.826 1.00 70.11 C ATOM 583 CZ3 TRP A 36 -9.451 3.304 -0.209 1.00 24.03 C ATOM 584 CH2 TRP A 36 -10.724 3.838 0.031 1.00 62.11 C ATOM 0 H TRP A 36 -5.312 4.969 -5.251 1.00 2.34 H new ATOM 0 HA TRP A 36 -6.930 7.005 -4.352 1.00 63.34 H new ATOM 0 HB2 TRP A 36 -7.683 4.793 -5.182 1.00 10.00 H new ATOM 0 HB3 TRP A 36 -7.068 4.027 -3.731 1.00 10.00 H new ATOM 0 HD1 TRP A 36 -9.782 6.633 -4.742 1.00 41.34 H new ATOM 0 HE1 TRP A 36 -11.725 6.522 -3.038 1.00 24.33 H new ATOM 0 HE3 TRP A 36 -7.739 3.255 -1.498 1.00 12.11 H new ATOM 0 HZ2 TRP A 36 -12.268 5.155 -0.639 1.00 70.11 H new ATOM 0 HZ3 TRP A 36 -9.035 2.591 0.488 1.00 24.03 H new ATOM 0 HH2 TRP A 36 -11.271 3.529 0.909 1.00 62.11 H new ATOM 595 N ALA A 37 -5.371 5.475 -1.885 1.00 10.20 N ATOM 596 CA ALA A 37 -5.021 5.584 -0.474 1.00 34.25 C ATOM 597 C ALA A 37 -4.273 6.882 -0.192 1.00 32.43 C ATOM 598 O ALA A 37 -4.645 7.642 0.701 1.00 3.55 O ATOM 599 CB ALA A 37 -4.188 4.387 -0.043 1.00 24.14 C ATOM 0 H ALA A 37 -4.906 4.713 -2.378 1.00 10.20 H new ATOM 0 HA ALA A 37 -5.945 5.596 0.104 1.00 34.25 H new ATOM 0 HB1 ALA A 37 -3.934 4.482 1.013 1.00 24.14 H new ATOM 0 HB2 ALA A 37 -4.759 3.472 -0.198 1.00 24.14 H new ATOM 0 HB3 ALA A 37 -3.273 4.349 -0.634 1.00 24.14 H new ATOM 605 N SER A 38 -3.216 7.128 -0.958 1.00 64.34 N ATOM 606 CA SER A 38 -2.411 8.332 -0.788 1.00 12.33 C ATOM 607 C SER A 38 -3.294 9.578 -0.777 1.00 65.34 C ATOM 608 O SER A 38 -3.035 10.528 -0.039 1.00 50.25 O ATOM 609 CB SER A 38 -1.371 8.440 -1.905 1.00 74.32 C ATOM 610 OG SER A 38 -0.213 9.123 -1.460 1.00 31.04 O ATOM 0 H SER A 38 -2.896 6.509 -1.703 1.00 64.34 H new ATOM 0 HA SER A 38 -1.897 8.263 0.170 1.00 12.33 H new ATOM 0 HB2 SER A 38 -1.098 7.443 -2.250 1.00 74.32 H new ATOM 0 HB3 SER A 38 -1.802 8.965 -2.757 1.00 74.32 H new ATOM 0 HG SER A 38 0.436 9.177 -2.192 1.00 31.04 H new ATOM 616 N ARG A 39 -4.336 9.563 -1.601 1.00 45.45 N ATOM 617 CA ARG A 39 -5.256 10.691 -1.689 1.00 23.42 C ATOM 618 C ARG A 39 -6.287 10.640 -0.566 1.00 63.31 C ATOM 619 O ARG A 39 -6.577 11.652 0.070 1.00 54.15 O ATOM 620 CB ARG A 39 -5.963 10.695 -3.046 1.00 53.30 C ATOM 621 CG ARG A 39 -6.984 11.811 -3.197 1.00 33.25 C ATOM 622 CD ARG A 39 -8.399 11.306 -2.962 1.00 72.12 C ATOM 623 NE ARG A 39 -9.081 10.988 -4.214 1.00 34.22 N ATOM 624 CZ ARG A 39 -10.380 10.719 -4.296 1.00 44.12 C ATOM 625 NH1 ARG A 39 -11.132 10.729 -3.205 1.00 73.41 N ATOM 626 NH2 ARG A 39 -10.927 10.438 -5.472 1.00 54.42 N ATOM 0 H ARG A 39 -4.565 8.783 -2.217 1.00 45.45 H new ATOM 0 HA ARG A 39 -4.677 11.609 -1.586 1.00 23.42 H new ATOM 0 HB2 ARG A 39 -5.217 10.788 -3.835 1.00 53.30 H new ATOM 0 HB3 ARG A 39 -6.461 9.736 -3.190 1.00 53.30 H new ATOM 0 HG2 ARG A 39 -6.759 12.610 -2.490 1.00 33.25 H new ATOM 0 HG3 ARG A 39 -6.911 12.240 -4.196 1.00 33.25 H new ATOM 0 HD2 ARG A 39 -8.367 10.418 -2.331 1.00 72.12 H new ATOM 0 HD3 ARG A 39 -8.968 12.061 -2.421 1.00 72.12 H new ATOM 0 HE ARG A 39 -8.530 10.971 -5.072 1.00 34.22 H new ATOM 0 HH11 ARG A 39 -10.714 10.944 -2.300 1.00 73.41 H new ATOM 0 HH12 ARG A 39 -12.129 10.522 -3.271 1.00 73.41 H new ATOM 0 HH21 ARG A 39 -10.350 10.428 -6.313 1.00 54.42 H new ATOM 0 HH22 ARG A 39 -11.924 10.232 -5.534 1.00 54.42 H new ATOM 640 N GLU A 40 -6.836 9.453 -0.328 1.00 74.43 N ATOM 641 CA GLU A 40 -7.836 9.271 0.718 1.00 71.43 C ATOM 642 C GLU A 40 -7.344 9.837 2.046 1.00 25.21 C ATOM 643 O GLU A 40 -8.035 10.625 2.692 1.00 10.24 O ATOM 644 CB GLU A 40 -8.174 7.787 0.878 1.00 73.31 C ATOM 645 CG GLU A 40 -9.597 7.439 0.473 1.00 13.35 C ATOM 646 CD GLU A 40 -10.011 8.098 -0.829 1.00 64.10 C ATOM 647 OE1 GLU A 40 -9.134 8.310 -1.692 1.00 5.01 O ATOM 648 OE2 GLU A 40 -11.212 8.400 -0.984 1.00 14.11 O ATOM 0 H GLU A 40 -6.606 8.604 -0.844 1.00 74.43 H new ATOM 0 HA GLU A 40 -8.735 9.812 0.423 1.00 71.43 H new ATOM 0 HB2 GLU A 40 -7.480 7.198 0.278 1.00 73.31 H new ATOM 0 HB3 GLU A 40 -8.020 7.498 1.918 1.00 73.31 H new ATOM 0 HG2 GLU A 40 -9.688 6.357 0.373 1.00 13.35 H new ATOM 0 HG3 GLU A 40 -10.281 7.745 1.264 1.00 13.35 H new ATOM 655 N LEU A 41 -6.145 9.429 2.448 1.00 51.40 N ATOM 656 CA LEU A 41 -5.559 9.896 3.700 1.00 24.22 C ATOM 657 C LEU A 41 -5.596 11.418 3.785 1.00 2.14 C ATOM 658 O LEU A 41 -5.794 11.983 4.860 1.00 4.34 O ATOM 659 CB LEU A 41 -4.116 9.402 3.825 1.00 22.30 C ATOM 660 CG LEU A 41 -3.923 8.073 4.557 1.00 1.30 C ATOM 661 CD1 LEU A 41 -2.446 7.716 4.635 1.00 54.43 C ATOM 662 CD2 LEU A 41 -4.531 8.137 5.949 1.00 10.33 C ATOM 0 H LEU A 41 -5.560 8.777 1.926 1.00 51.40 H new ATOM 0 HA LEU A 41 -6.149 9.491 4.522 1.00 24.22 H new ATOM 0 HB2 LEU A 41 -3.698 9.306 2.823 1.00 22.30 H new ATOM 0 HB3 LEU A 41 -3.535 10.166 4.341 1.00 22.30 H new ATOM 0 HG LEU A 41 -4.436 7.293 3.994 1.00 1.30 H new ATOM 0 HD11 LEU A 41 -2.328 6.768 5.159 1.00 54.43 H new ATOM 0 HD12 LEU A 41 -2.040 7.627 3.628 1.00 54.43 H new ATOM 0 HD13 LEU A 41 -1.911 8.497 5.174 1.00 54.43 H new ATOM 0 HD21 LEU A 41 -4.384 7.183 6.454 1.00 10.33 H new ATOM 0 HD22 LEU A 41 -4.048 8.929 6.521 1.00 10.33 H new ATOM 0 HD23 LEU A 41 -5.598 8.345 5.871 1.00 10.33 H new ATOM 674 N GLU A 42 -5.407 12.074 2.645 1.00 2.41 N ATOM 675 CA GLU A 42 -5.421 13.532 2.592 1.00 23.24 C ATOM 676 C GLU A 42 -6.764 14.080 3.064 1.00 0.22 C ATOM 677 O GLU A 42 -6.837 15.174 3.625 1.00 43.51 O ATOM 678 CB GLU A 42 -5.132 14.015 1.169 1.00 3.33 C ATOM 679 CG GLU A 42 -4.729 15.479 1.093 1.00 33.11 C ATOM 680 CD GLU A 42 -4.806 16.032 -0.316 1.00 61.12 C ATOM 681 OE1 GLU A 42 -5.256 15.295 -1.219 1.00 10.24 O ATOM 682 OE2 GLU A 42 -4.416 17.202 -0.517 1.00 21.44 O ATOM 0 H GLU A 42 -5.243 11.620 1.746 1.00 2.41 H new ATOM 0 HA GLU A 42 -4.642 13.902 3.259 1.00 23.24 H new ATOM 0 HB2 GLU A 42 -4.336 13.405 0.742 1.00 3.33 H new ATOM 0 HB3 GLU A 42 -6.018 13.858 0.554 1.00 3.33 H new ATOM 0 HG2 GLU A 42 -5.377 16.065 1.745 1.00 33.11 H new ATOM 0 HG3 GLU A 42 -3.712 15.592 1.469 1.00 33.11 H new ATOM 689 N ARG A 43 -7.824 13.314 2.833 1.00 11.03 N ATOM 690 CA ARG A 43 -9.165 13.724 3.233 1.00 61.51 C ATOM 691 C ARG A 43 -9.430 13.366 4.693 1.00 41.53 C ATOM 692 O ARG A 43 -10.322 13.929 5.328 1.00 61.32 O ATOM 693 CB ARG A 43 -10.212 13.059 2.336 1.00 0.34 C ATOM 694 CG ARG A 43 -11.141 14.047 1.650 1.00 41.44 C ATOM 695 CD ARG A 43 -12.192 14.583 2.609 1.00 53.02 C ATOM 696 NE ARG A 43 -13.385 13.740 2.640 1.00 62.21 N ATOM 697 CZ ARG A 43 -14.324 13.762 1.702 1.00 55.32 C ATOM 698 NH1 ARG A 43 -14.212 14.579 0.664 1.00 4.34 N ATOM 699 NH2 ARG A 43 -15.381 12.965 1.801 1.00 3.01 N ATOM 0 H ARG A 43 -7.781 12.406 2.371 1.00 11.03 H new ATOM 0 HA ARG A 43 -9.236 14.806 3.123 1.00 61.51 H new ATOM 0 HB2 ARG A 43 -9.703 12.464 1.577 1.00 0.34 H new ATOM 0 HB3 ARG A 43 -10.807 12.370 2.935 1.00 0.34 H new ATOM 0 HG2 ARG A 43 -10.559 14.876 1.247 1.00 41.44 H new ATOM 0 HG3 ARG A 43 -11.631 13.561 0.806 1.00 41.44 H new ATOM 0 HD2 ARG A 43 -11.768 14.649 3.611 1.00 53.02 H new ATOM 0 HD3 ARG A 43 -12.470 15.595 2.313 1.00 53.02 H new ATOM 0 HE ARG A 43 -13.503 13.100 3.425 1.00 62.21 H new ATOM 0 HH11 ARG A 43 -13.402 15.194 0.584 1.00 4.34 H new ATOM 0 HH12 ARG A 43 -14.936 14.593 -0.055 1.00 4.34 H new ATOM 0 HH21 ARG A 43 -15.472 12.335 2.598 1.00 3.01 H new ATOM 0 HH22 ARG A 43 -16.102 12.982 1.080 1.00 3.01 H new ATOM 713 N PHE A 44 -8.648 12.430 5.218 1.00 33.31 N ATOM 714 CA PHE A 44 -8.799 11.997 6.603 1.00 11.10 C ATOM 715 C PHE A 44 -7.898 12.810 7.528 1.00 0.24 C ATOM 716 O PHE A 44 -7.396 12.300 8.530 1.00 64.33 O ATOM 717 CB PHE A 44 -8.471 10.508 6.732 1.00 1.24 C ATOM 718 CG PHE A 44 -9.626 9.609 6.396 1.00 33.51 C ATOM 719 CD1 PHE A 44 -10.847 9.756 7.035 1.00 4.11 C ATOM 720 CD2 PHE A 44 -9.492 8.616 5.439 1.00 65.52 C ATOM 721 CE1 PHE A 44 -11.910 8.930 6.727 1.00 62.11 C ATOM 722 CE2 PHE A 44 -10.551 7.786 5.127 1.00 75.23 C ATOM 723 CZ PHE A 44 -11.763 7.944 5.771 1.00 75.42 C ATOM 0 H PHE A 44 -7.903 11.956 4.707 1.00 33.31 H new ATOM 0 HA PHE A 44 -9.835 12.161 6.898 1.00 11.10 H new ATOM 0 HB2 PHE A 44 -7.633 10.270 6.076 1.00 1.24 H new ATOM 0 HB3 PHE A 44 -8.146 10.303 7.752 1.00 1.24 H new ATOM 0 HD1 PHE A 44 -10.969 10.526 7.783 1.00 4.11 H new ATOM 0 HD2 PHE A 44 -8.548 8.489 4.931 1.00 65.52 H new ATOM 0 HE1 PHE A 44 -12.856 9.055 7.233 1.00 62.11 H new ATOM 0 HE2 PHE A 44 -10.432 7.015 4.381 1.00 75.23 H new ATOM 0 HZ PHE A 44 -12.594 7.298 5.527 1.00 75.42 H new ATOM 733 N ALA A 45 -7.697 14.078 7.184 1.00 63.23 N ATOM 734 CA ALA A 45 -6.858 14.962 7.983 1.00 2.01 C ATOM 735 C ALA A 45 -5.528 14.298 8.324 1.00 31.21 C ATOM 736 O ALA A 45 -4.898 14.627 9.329 1.00 52.11 O ATOM 737 CB ALA A 45 -7.586 15.374 9.254 1.00 25.42 C ATOM 0 H ALA A 45 -8.104 14.516 6.357 1.00 63.23 H new ATOM 0 HA ALA A 45 -6.647 15.854 7.393 1.00 2.01 H new ATOM 0 HB1 ALA A 45 -6.948 16.034 9.841 1.00 25.42 H new ATOM 0 HB2 ALA A 45 -8.506 15.897 8.993 1.00 25.42 H new ATOM 0 HB3 ALA A 45 -7.826 14.487 9.840 1.00 25.42 H new ATOM 743 N VAL A 46 -5.108 13.360 7.481 1.00 5.13 N ATOM 744 CA VAL A 46 -3.852 12.649 7.694 1.00 3.22 C ATOM 745 C VAL A 46 -2.929 12.793 6.489 1.00 23.32 C ATOM 746 O VAL A 46 -3.384 12.824 5.346 1.00 5.41 O ATOM 747 CB VAL A 46 -4.094 11.153 7.966 1.00 3.31 C ATOM 748 CG1 VAL A 46 -2.771 10.408 8.069 1.00 41.22 C ATOM 749 CG2 VAL A 46 -4.918 10.969 9.231 1.00 24.35 C ATOM 0 H VAL A 46 -5.618 13.075 6.645 1.00 5.13 H new ATOM 0 HA VAL A 46 -3.378 13.097 8.567 1.00 3.22 H new ATOM 0 HB VAL A 46 -4.655 10.735 7.130 1.00 3.31 H new ATOM 0 HG11 VAL A 46 -2.962 9.352 8.261 1.00 41.22 H new ATOM 0 HG12 VAL A 46 -2.221 10.513 7.134 1.00 41.22 H new ATOM 0 HG13 VAL A 46 -2.181 10.825 8.886 1.00 41.22 H new ATOM 0 HG21 VAL A 46 -5.080 9.906 9.408 1.00 24.35 H new ATOM 0 HG22 VAL A 46 -4.386 11.401 10.078 1.00 24.35 H new ATOM 0 HG23 VAL A 46 -5.880 11.468 9.114 1.00 24.35 H new ATOM 759 N ASN A 47 -1.630 12.880 6.753 1.00 4.25 N ATOM 760 CA ASN A 47 -0.640 13.020 5.690 1.00 15.05 C ATOM 761 C ASN A 47 -0.347 11.672 5.039 1.00 11.04 C ATOM 762 O ASN A 47 -0.219 10.646 5.709 1.00 62.02 O ATOM 763 CB ASN A 47 0.651 13.625 6.244 1.00 24.22 C ATOM 764 CG ASN A 47 0.655 15.140 6.180 1.00 31.21 C ATOM 765 OD1 ASN A 47 1.599 15.748 5.675 1.00 14.32 O ATOM 766 ND2 ASN A 47 -0.404 15.756 6.693 1.00 60.10 N ATOM 0 H ASN A 47 -1.237 12.856 7.694 1.00 4.25 H new ATOM 0 HA ASN A 47 -1.049 13.688 4.931 1.00 15.05 H new ATOM 0 HB2 ASN A 47 0.783 13.308 7.278 1.00 24.22 H new ATOM 0 HB3 ASN A 47 1.501 13.238 5.681 1.00 24.22 H new ATOM 0 HD21 ASN A 47 -0.458 16.774 6.679 1.00 60.10 H new ATOM 0 HD22 ASN A 47 -1.163 15.211 7.101 1.00 60.10 H new ATOM 773 N PRO A 48 -0.237 11.672 3.703 1.00 21.40 N ATOM 774 CA PRO A 48 0.044 10.457 2.932 1.00 25.21 C ATOM 775 C PRO A 48 1.466 9.950 3.147 1.00 64.04 C ATOM 776 O PRO A 48 1.834 8.880 2.665 1.00 73.21 O ATOM 777 CB PRO A 48 -0.149 10.905 1.481 1.00 13.03 C ATOM 778 CG PRO A 48 0.102 12.373 1.501 1.00 4.23 C ATOM 779 CD PRO A 48 -0.378 12.858 2.842 1.00 61.24 C ATOM 0 HA PRO A 48 -0.601 9.629 3.227 1.00 25.21 H new ATOM 0 HB2 PRO A 48 0.545 10.394 0.813 1.00 13.03 H new ATOM 0 HB3 PRO A 48 -1.155 10.680 1.128 1.00 13.03 H new ATOM 0 HG2 PRO A 48 1.161 12.589 1.364 1.00 4.23 H new ATOM 0 HG3 PRO A 48 -0.432 12.871 0.692 1.00 4.23 H new ATOM 0 HD2 PRO A 48 0.221 13.692 3.206 1.00 61.24 H new ATOM 0 HD3 PRO A 48 -1.411 13.203 2.799 1.00 61.24 H new ATOM 787 N GLY A 49 2.263 10.727 3.875 1.00 31.31 N ATOM 788 CA GLY A 49 3.636 10.339 4.142 1.00 54.14 C ATOM 789 C GLY A 49 3.740 9.279 5.221 1.00 0.51 C ATOM 790 O GLY A 49 4.839 8.858 5.584 1.00 52.14 O ATOM 0 H GLY A 49 1.982 11.618 4.284 1.00 31.31 H new ATOM 0 HA2 GLY A 49 4.089 9.964 3.224 1.00 54.14 H new ATOM 0 HA3 GLY A 49 4.206 11.217 4.444 1.00 54.14 H new ATOM 794 N LEU A 50 2.595 8.850 5.738 1.00 51.12 N ATOM 795 CA LEU A 50 2.560 7.834 6.785 1.00 25.31 C ATOM 796 C LEU A 50 2.287 6.454 6.196 1.00 4.12 C ATOM 797 O LEU A 50 1.859 5.539 6.901 1.00 44.20 O ATOM 798 CB LEU A 50 1.492 8.179 7.823 1.00 61.11 C ATOM 799 CG LEU A 50 1.465 9.631 8.302 1.00 42.33 C ATOM 800 CD1 LEU A 50 0.207 9.903 9.111 1.00 14.04 C ATOM 801 CD2 LEU A 50 2.707 9.946 9.122 1.00 31.42 C ATOM 0 H LEU A 50 1.677 9.190 5.450 1.00 51.12 H new ATOM 0 HA LEU A 50 3.536 7.815 7.270 1.00 25.31 H new ATOM 0 HB2 LEU A 50 0.515 7.938 7.404 1.00 61.11 H new ATOM 0 HB3 LEU A 50 1.635 7.534 8.690 1.00 61.11 H new ATOM 0 HG LEU A 50 1.457 10.281 7.427 1.00 42.33 H new ATOM 0 HD11 LEU A 50 0.205 10.941 9.443 1.00 14.04 H new ATOM 0 HD12 LEU A 50 -0.671 9.719 8.492 1.00 14.04 H new ATOM 0 HD13 LEU A 50 0.183 9.244 9.979 1.00 14.04 H new ATOM 0 HD21 LEU A 50 2.670 10.983 9.454 1.00 31.42 H new ATOM 0 HD22 LEU A 50 2.746 9.288 9.990 1.00 31.42 H new ATOM 0 HD23 LEU A 50 3.596 9.792 8.510 1.00 31.42 H new ATOM 813 N LEU A 51 2.539 6.310 4.899 1.00 21.31 N ATOM 814 CA LEU A 51 2.322 5.040 4.215 1.00 61.13 C ATOM 815 C LEU A 51 3.647 4.423 3.778 1.00 5.51 C ATOM 816 O LEU A 51 3.700 3.260 3.380 1.00 34.21 O ATOM 817 CB LEU A 51 1.415 5.241 3.000 1.00 41.32 C ATOM 818 CG LEU A 51 0.063 5.900 3.273 1.00 3.25 C ATOM 819 CD1 LEU A 51 -0.595 6.330 1.971 1.00 1.33 C ATOM 820 CD2 LEU A 51 -0.845 4.953 4.044 1.00 21.20 C ATOM 0 H LEU A 51 2.893 7.056 4.301 1.00 21.31 H new ATOM 0 HA LEU A 51 1.838 4.358 4.914 1.00 61.13 H new ATOM 0 HB2 LEU A 51 1.950 5.846 2.268 1.00 41.32 H new ATOM 0 HB3 LEU A 51 1.237 4.269 2.540 1.00 41.32 H new ATOM 0 HG LEU A 51 0.230 6.789 3.882 1.00 3.25 H new ATOM 0 HD11 LEU A 51 -1.556 6.797 2.186 1.00 1.33 H new ATOM 0 HD12 LEU A 51 0.048 7.044 1.457 1.00 1.33 H new ATOM 0 HD13 LEU A 51 -0.749 5.458 1.336 1.00 1.33 H new ATOM 0 HD21 LEU A 51 -1.803 5.438 4.230 1.00 21.20 H new ATOM 0 HD22 LEU A 51 -1.005 4.046 3.460 1.00 21.20 H new ATOM 0 HD23 LEU A 51 -0.379 4.695 4.995 1.00 21.20 H new ATOM 832 N GLU A 52 4.716 5.211 3.857 1.00 54.32 N ATOM 833 CA GLU A 52 6.040 4.741 3.471 1.00 42.11 C ATOM 834 C GLU A 52 6.759 4.104 4.657 1.00 12.54 C ATOM 835 O GLU A 52 7.654 3.277 4.485 1.00 72.44 O ATOM 836 CB GLU A 52 6.875 5.898 2.917 1.00 11.33 C ATOM 837 CG GLU A 52 7.134 7.002 3.929 1.00 72.31 C ATOM 838 CD GLU A 52 7.612 8.286 3.282 1.00 13.04 C ATOM 839 OE1 GLU A 52 8.703 8.274 2.674 1.00 1.53 O ATOM 840 OE2 GLU A 52 6.895 9.304 3.383 1.00 34.15 O ATOM 0 H GLU A 52 4.690 6.177 4.185 1.00 54.32 H new ATOM 0 HA GLU A 52 5.917 3.986 2.694 1.00 42.11 H new ATOM 0 HB2 GLU A 52 7.830 5.509 2.564 1.00 11.33 H new ATOM 0 HB3 GLU A 52 6.364 6.322 2.052 1.00 11.33 H new ATOM 0 HG2 GLU A 52 6.219 7.200 4.487 1.00 72.31 H new ATOM 0 HG3 GLU A 52 7.879 6.663 4.648 1.00 72.31 H new ATOM 847 N THR A 53 6.361 4.497 5.863 1.00 73.02 N ATOM 848 CA THR A 53 6.966 3.967 7.079 1.00 72.24 C ATOM 849 C THR A 53 6.000 3.048 7.819 1.00 73.13 C ATOM 850 O THR A 53 4.806 3.333 7.912 1.00 63.41 O ATOM 851 CB THR A 53 7.408 5.098 8.025 1.00 63.43 C ATOM 852 OG1 THR A 53 6.308 5.512 8.842 1.00 11.23 O ATOM 853 CG2 THR A 53 7.937 6.287 7.237 1.00 44.20 C ATOM 0 H THR A 53 5.622 5.181 6.024 1.00 73.02 H new ATOM 0 HA THR A 53 7.843 3.396 6.773 1.00 72.24 H new ATOM 0 HB THR A 53 8.208 4.718 8.660 1.00 63.43 H new ATOM 0 HG1 THR A 53 6.598 6.231 9.442 1.00 11.23 H new ATOM 0 HG21 THR A 53 8.243 7.073 7.927 1.00 44.20 H new ATOM 0 HG22 THR A 53 8.793 5.975 6.639 1.00 44.20 H new ATOM 0 HG23 THR A 53 7.154 6.665 6.580 1.00 44.20 H new ATOM 861 N SER A 54 6.525 1.946 8.345 1.00 74.11 N ATOM 862 CA SER A 54 5.707 0.984 9.075 1.00 70.21 C ATOM 863 C SER A 54 5.001 1.653 10.251 1.00 44.23 C ATOM 864 O SER A 54 3.884 1.282 10.610 1.00 24.21 O ATOM 865 CB SER A 54 6.571 -0.174 9.576 1.00 61.45 C ATOM 866 OG SER A 54 7.940 0.192 9.620 1.00 34.14 O ATOM 0 H SER A 54 7.512 1.697 8.280 1.00 74.11 H new ATOM 0 HA SER A 54 4.951 0.595 8.393 1.00 70.21 H new ATOM 0 HB2 SER A 54 6.240 -0.475 10.570 1.00 61.45 H new ATOM 0 HB3 SER A 54 6.443 -1.037 8.922 1.00 61.45 H new ATOM 0 HG SER A 54 8.471 -0.565 9.945 1.00 34.14 H new ATOM 872 N GLU A 55 5.663 2.640 10.847 1.00 61.15 N ATOM 873 CA GLU A 55 5.101 3.360 11.983 1.00 52.54 C ATOM 874 C GLU A 55 3.930 4.237 11.545 1.00 61.30 C ATOM 875 O GLU A 55 2.999 4.477 12.314 1.00 71.52 O ATOM 876 CB GLU A 55 6.174 4.221 12.652 1.00 20.11 C ATOM 877 CG GLU A 55 6.229 4.060 14.161 1.00 30.25 C ATOM 878 CD GLU A 55 7.415 4.774 14.782 1.00 71.12 C ATOM 879 OE1 GLU A 55 7.915 5.737 14.164 1.00 22.12 O ATOM 880 OE2 GLU A 55 7.842 4.370 15.883 1.00 35.13 O ATOM 0 H GLU A 55 6.589 2.959 10.562 1.00 61.15 H new ATOM 0 HA GLU A 55 4.735 2.626 12.701 1.00 52.54 H new ATOM 0 HB2 GLU A 55 7.147 3.966 12.232 1.00 20.11 H new ATOM 0 HB3 GLU A 55 5.989 5.268 12.413 1.00 20.11 H new ATOM 0 HG2 GLU A 55 5.308 4.446 14.598 1.00 30.25 H new ATOM 0 HG3 GLU A 55 6.278 2.999 14.408 1.00 30.25 H new ATOM 887 N GLY A 56 3.984 4.712 10.305 1.00 65.15 N ATOM 888 CA GLY A 56 2.925 5.557 9.787 1.00 32.30 C ATOM 889 C GLY A 56 1.629 4.798 9.574 1.00 25.32 C ATOM 890 O GLY A 56 0.556 5.271 9.948 1.00 14.32 O ATOM 0 H GLY A 56 4.743 4.526 9.649 1.00 65.15 H new ATOM 0 HA2 GLY A 56 2.750 6.381 10.479 1.00 32.30 H new ATOM 0 HA3 GLY A 56 3.245 5.997 8.842 1.00 32.30 H new ATOM 894 N CYS A 57 1.730 3.618 8.972 1.00 14.01 N ATOM 895 CA CYS A 57 0.556 2.792 8.708 1.00 24.13 C ATOM 896 C CYS A 57 -0.162 2.439 10.006 1.00 14.01 C ATOM 897 O CYS A 57 -1.334 2.772 10.189 1.00 74.00 O ATOM 898 CB CYS A 57 0.962 1.514 7.971 1.00 13.22 C ATOM 899 SG CYS A 57 1.985 1.799 6.509 1.00 4.51 S ATOM 0 H CYS A 57 2.611 3.212 8.658 1.00 14.01 H new ATOM 0 HA CYS A 57 -0.127 3.363 8.080 1.00 24.13 H new ATOM 0 HB2 CYS A 57 1.504 0.867 8.660 1.00 13.22 H new ATOM 0 HB3 CYS A 57 0.061 0.978 7.672 1.00 13.22 H new ATOM 0 HG CYS A 57 3.085 2.397 6.859 1.00 4.51 H new ATOM 905 N ARG A 58 0.545 1.761 10.903 1.00 3.43 N ATOM 906 CA ARG A 58 -0.026 1.360 12.183 1.00 42.43 C ATOM 907 C ARG A 58 -0.741 2.531 12.850 1.00 54.14 C ATOM 908 O ARG A 58 -1.849 2.382 13.366 1.00 75.33 O ATOM 909 CB ARG A 58 1.067 0.823 13.109 1.00 51.21 C ATOM 910 CG ARG A 58 0.541 0.301 14.435 1.00 55.22 C ATOM 911 CD ARG A 58 1.376 0.803 15.603 1.00 63.40 C ATOM 912 NE ARG A 58 0.771 1.962 16.252 1.00 54.03 N ATOM 913 CZ ARG A 58 -0.318 1.895 17.010 1.00 20.32 C ATOM 914 NH1 ARG A 58 -0.917 0.729 17.213 1.00 15.42 N ATOM 915 NH2 ARG A 58 -0.810 2.994 17.567 1.00 63.14 N ATOM 0 H ARG A 58 1.515 1.477 10.767 1.00 3.43 H new ATOM 0 HA ARG A 58 -0.754 0.570 11.995 1.00 42.43 H new ATOM 0 HB2 ARG A 58 1.601 0.021 12.599 1.00 51.21 H new ATOM 0 HB3 ARG A 58 1.790 1.616 13.302 1.00 51.21 H new ATOM 0 HG2 ARG A 58 -0.495 0.615 14.566 1.00 55.22 H new ATOM 0 HG3 ARG A 58 0.545 -0.789 14.425 1.00 55.22 H new ATOM 0 HD2 ARG A 58 1.497 0.002 16.332 1.00 63.40 H new ATOM 0 HD3 ARG A 58 2.373 1.066 15.249 1.00 63.40 H new ATOM 0 HE ARG A 58 1.208 2.873 16.116 1.00 54.03 H new ATOM 0 HH11 ARG A 58 -0.542 -0.118 16.787 1.00 15.42 H new ATOM 0 HH12 ARG A 58 -1.753 0.680 17.795 1.00 15.42 H new ATOM 0 HH21 ARG A 58 -0.352 3.892 17.414 1.00 63.14 H new ATOM 0 HH22 ARG A 58 -1.646 2.941 18.149 1.00 63.14 H new ATOM 929 N GLN A 59 -0.101 3.695 12.836 1.00 41.55 N ATOM 930 CA GLN A 59 -0.676 4.891 13.440 1.00 5.34 C ATOM 931 C GLN A 59 -2.034 5.213 12.825 1.00 33.34 C ATOM 932 O GLN A 59 -2.971 5.592 13.530 1.00 62.45 O ATOM 933 CB GLN A 59 0.270 6.081 13.267 1.00 11.44 C ATOM 934 CG GLN A 59 0.744 6.678 14.583 1.00 72.25 C ATOM 935 CD GLN A 59 2.047 6.071 15.062 1.00 0.23 C ATOM 936 OE1 GLN A 59 2.324 4.896 14.822 1.00 64.31 O ATOM 937 NE2 GLN A 59 2.858 6.872 15.744 1.00 41.44 N ATOM 0 H GLN A 59 0.816 3.836 12.413 1.00 41.55 H new ATOM 0 HA GLN A 59 -0.816 4.698 14.504 1.00 5.34 H new ATOM 0 HB2 GLN A 59 1.137 5.764 12.688 1.00 11.44 H new ATOM 0 HB3 GLN A 59 -0.234 6.854 12.688 1.00 11.44 H new ATOM 0 HG2 GLN A 59 0.870 7.754 14.465 1.00 72.25 H new ATOM 0 HG3 GLN A 59 -0.023 6.529 15.343 1.00 72.25 H new ATOM 0 HE21 GLN A 59 2.589 7.840 15.920 1.00 41.44 H new ATOM 0 HE22 GLN A 59 3.750 6.519 16.091 1.00 41.44 H new ATOM 946 N ILE A 60 -2.134 5.058 11.509 1.00 2.22 N ATOM 947 CA ILE A 60 -3.378 5.332 10.801 1.00 71.01 C ATOM 948 C ILE A 60 -4.486 4.385 11.249 1.00 22.42 C ATOM 949 O ILE A 60 -5.604 4.811 11.537 1.00 55.21 O ATOM 950 CB ILE A 60 -3.197 5.206 9.276 1.00 14.30 C ATOM 951 CG1 ILE A 60 -2.125 6.181 8.787 1.00 51.53 C ATOM 952 CG2 ILE A 60 -4.517 5.459 8.563 1.00 13.03 C ATOM 953 CD1 ILE A 60 -1.370 5.689 7.572 1.00 4.11 C ATOM 0 H ILE A 60 -1.369 4.744 10.912 1.00 2.22 H new ATOM 0 HA ILE A 60 -3.659 6.357 11.043 1.00 71.01 H new ATOM 0 HB ILE A 60 -2.872 4.192 9.045 1.00 14.30 H new ATOM 0 HG12 ILE A 60 -2.594 7.136 8.551 1.00 51.53 H new ATOM 0 HG13 ILE A 60 -1.417 6.365 9.595 1.00 51.53 H new ATOM 0 HG21 ILE A 60 -4.373 5.366 7.487 1.00 13.03 H new ATOM 0 HG22 ILE A 60 -5.255 4.729 8.894 1.00 13.03 H new ATOM 0 HG23 ILE A 60 -4.870 6.463 8.797 1.00 13.03 H new ATOM 0 HD11 ILE A 60 -0.626 6.431 7.281 1.00 4.11 H new ATOM 0 HD12 ILE A 60 -0.872 4.749 7.809 1.00 4.11 H new ATOM 0 HD13 ILE A 60 -2.067 5.532 6.749 1.00 4.11 H new ATOM 965 N LEU A 61 -4.166 3.096 11.309 1.00 52.31 N ATOM 966 CA LEU A 61 -5.134 2.086 11.726 1.00 41.34 C ATOM 967 C LEU A 61 -5.739 2.438 13.082 1.00 44.15 C ATOM 968 O LEU A 61 -6.914 2.178 13.335 1.00 61.21 O ATOM 969 CB LEU A 61 -4.468 0.711 11.791 1.00 14.51 C ATOM 970 CG LEU A 61 -3.830 0.212 10.496 1.00 63.42 C ATOM 971 CD1 LEU A 61 -2.801 -0.869 10.789 1.00 21.32 C ATOM 972 CD2 LEU A 61 -4.895 -0.309 9.542 1.00 73.13 C ATOM 0 H LEU A 61 -3.245 2.726 11.074 1.00 52.31 H new ATOM 0 HA LEU A 61 -5.936 2.059 10.989 1.00 41.34 H new ATOM 0 HB2 LEU A 61 -3.700 0.738 12.564 1.00 14.51 H new ATOM 0 HB3 LEU A 61 -5.214 -0.017 12.109 1.00 14.51 H new ATOM 0 HG LEU A 61 -3.321 1.050 10.019 1.00 63.42 H new ATOM 0 HD11 LEU A 61 -2.357 -1.212 9.854 1.00 21.32 H new ATOM 0 HD12 LEU A 61 -2.021 -0.464 11.434 1.00 21.32 H new ATOM 0 HD13 LEU A 61 -3.286 -1.707 11.289 1.00 21.32 H new ATOM 0 HD21 LEU A 61 -4.422 -0.660 8.625 1.00 73.13 H new ATOM 0 HD22 LEU A 61 -5.432 -1.133 10.012 1.00 73.13 H new ATOM 0 HD23 LEU A 61 -5.595 0.492 9.305 1.00 73.13 H new ATOM 984 N GLY A 62 -4.926 3.033 13.949 1.00 11.41 N ATOM 985 CA GLY A 62 -5.399 3.412 15.268 1.00 3.11 C ATOM 986 C GLY A 62 -6.478 4.475 15.213 1.00 74.10 C ATOM 987 O GLY A 62 -7.371 4.504 16.059 1.00 40.32 O ATOM 0 H GLY A 62 -3.949 3.259 13.762 1.00 11.41 H new ATOM 0 HA2 GLY A 62 -5.787 2.531 15.779 1.00 3.11 H new ATOM 0 HA3 GLY A 62 -4.561 3.780 15.860 1.00 3.11 H new ATOM 991 N GLN A 63 -6.394 5.350 14.216 1.00 13.54 N ATOM 992 CA GLN A 63 -7.372 6.422 14.057 1.00 24.43 C ATOM 993 C GLN A 63 -8.711 5.870 13.580 1.00 53.11 C ATOM 994 O GLN A 63 -9.765 6.222 14.112 1.00 63.30 O ATOM 995 CB GLN A 63 -6.856 7.468 13.068 1.00 62.30 C ATOM 996 CG GLN A 63 -6.380 8.750 13.731 1.00 21.03 C ATOM 997 CD GLN A 63 -4.872 8.905 13.688 1.00 72.54 C ATOM 998 OE1 GLN A 63 -4.276 8.991 12.613 1.00 12.11 O ATOM 999 NE2 GLN A 63 -4.246 8.942 14.858 1.00 40.33 N ATOM 0 H GLN A 63 -5.661 5.339 13.507 1.00 13.54 H new ATOM 0 HA GLN A 63 -7.520 6.893 15.029 1.00 24.43 H new ATOM 0 HB2 GLN A 63 -6.035 7.039 12.494 1.00 62.30 H new ATOM 0 HB3 GLN A 63 -7.649 7.708 12.359 1.00 62.30 H new ATOM 0 HG2 GLN A 63 -6.843 9.604 13.237 1.00 21.03 H new ATOM 0 HG3 GLN A 63 -6.713 8.763 14.769 1.00 21.03 H new ATOM 0 HE21 GLN A 63 -4.779 8.867 15.724 1.00 40.33 H new ATOM 0 HE22 GLN A 63 -3.232 9.045 14.891 1.00 40.33 H new ATOM 1008 N LEU A 64 -8.663 5.003 12.574 1.00 15.12 N ATOM 1009 CA LEU A 64 -9.874 4.403 12.024 1.00 23.44 C ATOM 1010 C LEU A 64 -10.340 3.232 12.884 1.00 20.53 C ATOM 1011 O LEU A 64 -11.486 2.794 12.784 1.00 24.24 O ATOM 1012 CB LEU A 64 -9.627 3.931 10.591 1.00 60.24 C ATOM 1013 CG LEU A 64 -8.888 4.912 9.679 1.00 23.11 C ATOM 1014 CD1 LEU A 64 -8.502 4.238 8.371 1.00 52.41 C ATOM 1015 CD2 LEU A 64 -9.742 6.143 9.416 1.00 20.22 C ATOM 0 H LEU A 64 -7.800 4.700 12.123 1.00 15.12 H new ATOM 0 HA LEU A 64 -10.657 5.162 12.020 1.00 23.44 H new ATOM 0 HB2 LEU A 64 -9.058 3.002 10.629 1.00 60.24 H new ATOM 0 HB3 LEU A 64 -10.589 3.697 10.136 1.00 60.24 H new ATOM 0 HG LEU A 64 -7.975 5.230 10.183 1.00 23.11 H new ATOM 0 HD11 LEU A 64 -7.977 4.951 7.735 1.00 52.41 H new ATOM 0 HD12 LEU A 64 -7.851 3.389 8.578 1.00 52.41 H new ATOM 0 HD13 LEU A 64 -9.401 3.891 7.862 1.00 52.41 H new ATOM 0 HD21 LEU A 64 -9.200 6.830 8.766 1.00 20.22 H new ATOM 0 HD22 LEU A 64 -10.672 5.844 8.933 1.00 20.22 H new ATOM 0 HD23 LEU A 64 -9.966 6.639 10.360 1.00 20.22 H new ATOM 1027 N GLN A 65 -9.444 2.732 13.729 1.00 32.40 N ATOM 1028 CA GLN A 65 -9.764 1.613 14.607 1.00 22.33 C ATOM 1029 C GLN A 65 -11.070 1.863 15.354 1.00 73.22 C ATOM 1030 O GLN A 65 -12.036 1.108 15.235 1.00 21.21 O ATOM 1031 CB GLN A 65 -8.628 1.379 15.605 1.00 15.54 C ATOM 1032 CG GLN A 65 -7.989 0.005 15.490 1.00 52.24 C ATOM 1033 CD GLN A 65 -7.617 -0.581 16.837 1.00 4.21 C ATOM 1034 OE1 GLN A 65 -7.155 0.130 17.729 1.00 32.12 O ATOM 1035 NE2 GLN A 65 -7.816 -1.885 16.991 1.00 1.10 N ATOM 0 H GLN A 65 -8.491 3.084 13.824 1.00 32.40 H new ATOM 0 HA GLN A 65 -9.885 0.723 13.990 1.00 22.33 H new ATOM 0 HB2 GLN A 65 -7.862 2.140 15.456 1.00 15.54 H new ATOM 0 HB3 GLN A 65 -9.012 1.508 16.617 1.00 15.54 H new ATOM 0 HG2 GLN A 65 -8.678 -0.670 14.982 1.00 52.24 H new ATOM 0 HG3 GLN A 65 -7.096 0.075 14.869 1.00 52.24 H new ATOM 0 HE21 GLN A 65 -8.201 -2.436 16.224 1.00 1.10 H new ATOM 0 HE22 GLN A 65 -7.583 -2.335 17.876 1.00 1.10 H new ATOM 1044 N PRO A 66 -11.103 2.948 16.142 1.00 70.33 N ATOM 1045 CA PRO A 66 -12.285 3.322 16.923 1.00 13.15 C ATOM 1046 C PRO A 66 -13.432 3.807 16.043 1.00 20.55 C ATOM 1047 O PRO A 66 -14.499 4.171 16.540 1.00 24.30 O ATOM 1048 CB PRO A 66 -11.776 4.459 17.813 1.00 12.01 C ATOM 1049 CG PRO A 66 -10.625 5.039 17.065 1.00 34.24 C ATOM 1050 CD PRO A 66 -9.989 3.891 16.331 1.00 42.31 C ATOM 0 HA PRO A 66 -12.691 2.476 17.478 1.00 13.15 H new ATOM 0 HB2 PRO A 66 -12.552 5.205 17.986 1.00 12.01 H new ATOM 0 HB3 PRO A 66 -11.467 4.089 18.790 1.00 12.01 H new ATOM 0 HG2 PRO A 66 -10.959 5.809 16.370 1.00 34.24 H new ATOM 0 HG3 PRO A 66 -9.915 5.509 17.745 1.00 34.24 H new ATOM 0 HD2 PRO A 66 -9.565 4.209 15.378 1.00 42.31 H new ATOM 0 HD3 PRO A 66 -9.178 3.445 16.907 1.00 42.31 H new ATOM 1058 N SER A 67 -13.207 3.809 14.733 1.00 42.10 N ATOM 1059 CA SER A 67 -14.221 4.252 13.784 1.00 20.32 C ATOM 1060 C SER A 67 -14.726 3.083 12.943 1.00 63.24 C ATOM 1061 O SER A 67 -15.734 3.195 12.245 1.00 35.54 O ATOM 1062 CB SER A 67 -13.655 5.343 12.873 1.00 12.34 C ATOM 1063 OG SER A 67 -14.673 5.917 12.071 1.00 20.33 O ATOM 0 H SER A 67 -12.331 3.509 14.305 1.00 42.10 H new ATOM 0 HA SER A 67 -15.059 4.659 14.349 1.00 20.32 H new ATOM 0 HB2 SER A 67 -13.184 6.118 13.478 1.00 12.34 H new ATOM 0 HB3 SER A 67 -12.879 4.921 12.234 1.00 12.34 H new ATOM 0 HG SER A 67 -15.321 5.226 11.821 1.00 20.33 H new ATOM 1069 N LEU A 68 -14.017 1.961 13.015 1.00 43.23 N ATOM 1070 CA LEU A 68 -14.391 0.770 12.261 1.00 54.31 C ATOM 1071 C LEU A 68 -15.805 0.322 12.617 1.00 14.54 C ATOM 1072 O LEU A 68 -16.558 -0.131 11.755 1.00 35.33 O ATOM 1073 CB LEU A 68 -13.401 -0.363 12.534 1.00 34.13 C ATOM 1074 CG LEU A 68 -12.186 -0.431 11.609 1.00 1.53 C ATOM 1075 CD1 LEU A 68 -10.971 -0.951 12.361 1.00 23.12 C ATOM 1076 CD2 LEU A 68 -12.484 -1.306 10.400 1.00 31.13 C ATOM 0 H LEU A 68 -13.180 1.852 13.588 1.00 43.23 H new ATOM 0 HA LEU A 68 -14.365 1.019 11.200 1.00 54.31 H new ATOM 0 HB2 LEU A 68 -13.046 -0.269 13.560 1.00 34.13 H new ATOM 0 HB3 LEU A 68 -13.936 -1.310 12.467 1.00 34.13 H new ATOM 0 HG LEU A 68 -11.965 0.576 11.256 1.00 1.53 H new ATOM 0 HD11 LEU A 68 -10.116 -0.993 11.686 1.00 23.12 H new ATOM 0 HD12 LEU A 68 -10.745 -0.284 13.193 1.00 23.12 H new ATOM 0 HD13 LEU A 68 -11.180 -1.950 12.744 1.00 23.12 H new ATOM 0 HD21 LEU A 68 -11.608 -1.343 9.753 1.00 31.13 H new ATOM 0 HD22 LEU A 68 -12.732 -2.314 10.733 1.00 31.13 H new ATOM 0 HD23 LEU A 68 -13.326 -0.889 9.848 1.00 31.13 H new ATOM 1088 N GLN A 69 -16.160 0.456 13.891 1.00 65.50 N ATOM 1089 CA GLN A 69 -17.484 0.066 14.360 1.00 11.41 C ATOM 1090 C GLN A 69 -18.573 0.693 13.498 1.00 53.04 C ATOM 1091 O GLN A 69 -19.562 0.043 13.155 1.00 43.14 O ATOM 1092 CB GLN A 69 -17.673 0.480 15.822 1.00 65.42 C ATOM 1093 CG GLN A 69 -18.970 -0.023 16.433 1.00 30.23 C ATOM 1094 CD GLN A 69 -19.186 0.487 17.844 1.00 20.24 C ATOM 1095 OE1 GLN A 69 -18.272 1.025 18.469 1.00 53.25 O ATOM 1096 NE2 GLN A 69 -20.400 0.320 18.355 1.00 75.44 N ATOM 0 H GLN A 69 -15.549 0.832 14.616 1.00 65.50 H new ATOM 0 HA GLN A 69 -17.564 -1.018 14.283 1.00 11.41 H new ATOM 0 HB2 GLN A 69 -16.835 0.104 16.409 1.00 65.42 H new ATOM 0 HB3 GLN A 69 -17.647 1.568 15.889 1.00 65.42 H new ATOM 0 HG2 GLN A 69 -19.807 0.287 15.807 1.00 30.23 H new ATOM 0 HG3 GLN A 69 -18.965 -1.113 16.441 1.00 30.23 H new ATOM 0 HE21 GLN A 69 -21.129 -0.131 17.802 1.00 75.44 H new ATOM 0 HE22 GLN A 69 -20.604 0.643 19.301 1.00 75.44 H new ATOM 1105 N THR A 70 -18.388 1.963 13.149 1.00 11.21 N ATOM 1106 CA THR A 70 -19.356 2.679 12.326 1.00 2.35 C ATOM 1107 C THR A 70 -18.658 3.554 11.292 1.00 24.02 C ATOM 1108 O THR A 70 -18.886 4.761 11.229 1.00 24.33 O ATOM 1109 CB THR A 70 -20.281 3.560 13.188 1.00 45.24 C ATOM 1110 OG1 THR A 70 -19.504 4.326 14.115 1.00 5.10 O ATOM 1111 CG2 THR A 70 -21.289 2.709 13.944 1.00 5.44 C ATOM 0 H THR A 70 -17.577 2.517 13.424 1.00 11.21 H new ATOM 0 HA THR A 70 -19.956 1.926 11.814 1.00 2.35 H new ATOM 0 HB THR A 70 -20.824 4.235 12.526 1.00 45.24 H new ATOM 0 HG1 THR A 70 -20.099 4.884 14.658 1.00 5.10 H new ATOM 0 HG21 THR A 70 -21.931 3.353 14.545 1.00 5.44 H new ATOM 0 HG22 THR A 70 -21.899 2.150 13.234 1.00 5.44 H new ATOM 0 HG23 THR A 70 -20.761 2.013 14.596 1.00 5.44 H new ATOM 1119 N GLY A 71 -17.805 2.936 10.480 1.00 61.41 N ATOM 1120 CA GLY A 71 -17.087 3.675 9.458 1.00 61.54 C ATOM 1121 C GLY A 71 -17.660 3.454 8.072 1.00 31.34 C ATOM 1122 O GLY A 71 -18.039 2.337 7.720 1.00 13.22 O ATOM 0 H GLY A 71 -17.599 1.938 10.512 1.00 61.41 H new ATOM 0 HA2 GLY A 71 -17.117 4.739 9.695 1.00 61.54 H new ATOM 0 HA3 GLY A 71 -16.039 3.376 9.466 1.00 61.54 H new ATOM 1126 N SER A 72 -17.726 4.522 7.284 1.00 54.34 N ATOM 1127 CA SER A 72 -18.264 4.441 5.930 1.00 5.34 C ATOM 1128 C SER A 72 -17.444 3.477 5.077 1.00 53.40 C ATOM 1129 O SER A 72 -16.336 3.092 5.449 1.00 53.20 O ATOM 1130 CB SER A 72 -18.281 5.827 5.282 1.00 64.13 C ATOM 1131 OG SER A 72 -17.100 6.052 4.531 1.00 1.42 O ATOM 0 H SER A 72 -17.414 5.453 7.559 1.00 54.34 H new ATOM 0 HA SER A 72 -19.285 4.065 5.992 1.00 5.34 H new ATOM 0 HB2 SER A 72 -19.152 5.918 4.633 1.00 64.13 H new ATOM 0 HB3 SER A 72 -18.377 6.592 6.053 1.00 64.13 H new ATOM 0 HG SER A 72 -17.135 6.943 4.125 1.00 1.42 H new ATOM 1137 N GLU A 73 -17.999 3.093 3.932 1.00 72.15 N ATOM 1138 CA GLU A 73 -17.320 2.174 3.026 1.00 1.12 C ATOM 1139 C GLU A 73 -15.936 2.699 2.655 1.00 13.01 C ATOM 1140 O GLU A 73 -15.039 1.928 2.315 1.00 34.22 O ATOM 1141 CB GLU A 73 -18.153 1.962 1.761 1.00 75.14 C ATOM 1142 CG GLU A 73 -19.235 0.907 1.913 1.00 34.54 C ATOM 1143 CD GLU A 73 -20.375 1.091 0.931 1.00 52.12 C ATOM 1144 OE1 GLU A 73 -20.102 1.177 -0.284 1.00 74.23 O ATOM 1145 OE2 GLU A 73 -21.539 1.152 1.379 1.00 72.52 O ATOM 0 H GLU A 73 -18.916 3.403 3.610 1.00 72.15 H new ATOM 0 HA GLU A 73 -17.202 1.219 3.539 1.00 1.12 H new ATOM 0 HB2 GLU A 73 -18.617 2.907 1.479 1.00 75.14 H new ATOM 0 HB3 GLU A 73 -17.491 1.676 0.944 1.00 75.14 H new ATOM 0 HG2 GLU A 73 -18.796 -0.081 1.772 1.00 34.54 H new ATOM 0 HG3 GLU A 73 -19.628 0.939 2.929 1.00 34.54 H new ATOM 1152 N GLU A 74 -15.771 4.016 2.722 1.00 31.11 N ATOM 1153 CA GLU A 74 -14.497 4.644 2.393 1.00 60.45 C ATOM 1154 C GLU A 74 -13.443 4.323 3.448 1.00 51.43 C ATOM 1155 O GLU A 74 -12.342 3.875 3.126 1.00 24.04 O ATOM 1156 CB GLU A 74 -14.667 6.160 2.269 1.00 63.21 C ATOM 1157 CG GLU A 74 -14.194 6.719 0.938 1.00 64.21 C ATOM 1158 CD GLU A 74 -14.056 8.229 0.955 1.00 52.21 C ATOM 1159 OE1 GLU A 74 -13.990 8.805 2.060 1.00 3.22 O ATOM 1160 OE2 GLU A 74 -14.016 8.834 -0.137 1.00 75.31 O ATOM 0 H GLU A 74 -16.503 4.669 3.001 1.00 31.11 H new ATOM 0 HA GLU A 74 -14.161 4.244 1.436 1.00 60.45 H new ATOM 0 HB2 GLU A 74 -15.719 6.411 2.406 1.00 63.21 H new ATOM 0 HB3 GLU A 74 -14.116 6.646 3.074 1.00 63.21 H new ATOM 0 HG2 GLU A 74 -13.233 6.273 0.682 1.00 64.21 H new ATOM 0 HG3 GLU A 74 -14.897 6.431 0.157 1.00 64.21 H new ATOM 1167 N LEU A 75 -13.788 4.557 4.710 1.00 42.13 N ATOM 1168 CA LEU A 75 -12.872 4.295 5.814 1.00 32.22 C ATOM 1169 C LEU A 75 -12.476 2.822 5.854 1.00 20.13 C ATOM 1170 O LEU A 75 -11.300 2.489 6.002 1.00 1.13 O ATOM 1171 CB LEU A 75 -13.514 4.698 7.142 1.00 14.20 C ATOM 1172 CG LEU A 75 -12.696 4.405 8.401 1.00 71.05 C ATOM 1173 CD1 LEU A 75 -12.988 5.436 9.479 1.00 31.02 C ATOM 1174 CD2 LEU A 75 -12.986 3.001 8.910 1.00 4.20 C ATOM 0 H LEU A 75 -14.695 4.927 4.993 1.00 42.13 H new ATOM 0 HA LEU A 75 -11.973 4.891 5.657 1.00 32.22 H new ATOM 0 HB2 LEU A 75 -13.725 5.767 7.111 1.00 14.20 H new ATOM 0 HB3 LEU A 75 -14.473 4.187 7.229 1.00 14.20 H new ATOM 0 HG LEU A 75 -11.638 4.466 8.146 1.00 71.05 H new ATOM 0 HD11 LEU A 75 -12.397 5.211 10.367 1.00 31.02 H new ATOM 0 HD12 LEU A 75 -12.729 6.429 9.112 1.00 31.02 H new ATOM 0 HD13 LEU A 75 -14.048 5.408 9.732 1.00 31.02 H new ATOM 0 HD21 LEU A 75 -12.396 2.810 9.806 1.00 4.20 H new ATOM 0 HD22 LEU A 75 -14.046 2.912 9.148 1.00 4.20 H new ATOM 0 HD23 LEU A 75 -12.725 2.274 8.141 1.00 4.20 H new ATOM 1186 N ARG A 76 -13.464 1.944 5.720 1.00 55.30 N ATOM 1187 CA ARG A 76 -13.219 0.508 5.741 1.00 70.12 C ATOM 1188 C ARG A 76 -12.156 0.123 4.716 1.00 51.14 C ATOM 1189 O ARG A 76 -11.180 -0.552 5.042 1.00 42.34 O ATOM 1190 CB ARG A 76 -14.514 -0.257 5.459 1.00 51.10 C ATOM 1191 CG ARG A 76 -14.789 -1.376 6.451 1.00 43.33 C ATOM 1192 CD ARG A 76 -16.262 -1.444 6.820 1.00 72.13 C ATOM 1193 NE ARG A 76 -16.519 -2.429 7.867 1.00 60.23 N ATOM 1194 CZ ARG A 76 -17.632 -2.457 8.592 1.00 21.31 C ATOM 1195 NH1 ARG A 76 -18.586 -1.560 8.385 1.00 3.31 N ATOM 1196 NH2 ARG A 76 -17.792 -3.385 9.527 1.00 40.23 N ATOM 0 H ARG A 76 -14.443 2.203 5.596 1.00 55.30 H new ATOM 0 HA ARG A 76 -12.856 0.242 6.734 1.00 70.12 H new ATOM 0 HB2 ARG A 76 -15.350 0.443 5.473 1.00 51.10 H new ATOM 0 HB3 ARG A 76 -14.466 -0.677 4.454 1.00 51.10 H new ATOM 0 HG2 ARG A 76 -14.476 -2.328 6.023 1.00 43.33 H new ATOM 0 HG3 ARG A 76 -14.194 -1.220 7.351 1.00 43.33 H new ATOM 0 HD2 ARG A 76 -16.597 -0.463 7.155 1.00 72.13 H new ATOM 0 HD3 ARG A 76 -16.846 -1.695 5.935 1.00 72.13 H new ATOM 0 HE ARG A 76 -15.805 -3.134 8.052 1.00 60.23 H new ATOM 0 HH11 ARG A 76 -18.467 -0.845 7.667 1.00 3.31 H new ATOM 0 HH12 ARG A 76 -19.439 -1.585 8.944 1.00 3.31 H new ATOM 0 HH21 ARG A 76 -17.060 -4.077 9.689 1.00 40.23 H new ATOM 0 HH22 ARG A 76 -18.647 -3.406 10.083 1.00 40.23 H new ATOM 1210 N SER A 77 -12.354 0.557 3.475 1.00 63.24 N ATOM 1211 CA SER A 77 -11.415 0.254 2.401 1.00 55.44 C ATOM 1212 C SER A 77 -9.989 0.608 2.811 1.00 21.40 C ATOM 1213 O SER A 77 -9.061 -0.178 2.613 1.00 12.42 O ATOM 1214 CB SER A 77 -11.797 1.018 1.131 1.00 75.02 C ATOM 1215 OG SER A 77 -12.616 0.227 0.287 1.00 5.40 O ATOM 0 H SER A 77 -13.156 1.119 3.189 1.00 63.24 H new ATOM 0 HA SER A 77 -11.462 -0.816 2.201 1.00 55.44 H new ATOM 0 HB2 SER A 77 -12.323 1.934 1.398 1.00 75.02 H new ATOM 0 HB3 SER A 77 -10.895 1.313 0.595 1.00 75.02 H new ATOM 0 HG SER A 77 -12.848 0.738 -0.516 1.00 5.40 H new ATOM 1221 N LEU A 78 -9.822 1.795 3.383 1.00 44.53 N ATOM 1222 CA LEU A 78 -8.508 2.254 3.821 1.00 10.44 C ATOM 1223 C LEU A 78 -7.874 1.254 4.783 1.00 14.12 C ATOM 1224 O LEU A 78 -6.768 0.767 4.548 1.00 15.11 O ATOM 1225 CB LEU A 78 -8.623 3.624 4.494 1.00 34.45 C ATOM 1226 CG LEU A 78 -8.149 4.819 3.669 1.00 40.22 C ATOM 1227 CD1 LEU A 78 -6.709 4.622 3.223 1.00 44.15 C ATOM 1228 CD2 LEU A 78 -9.058 5.032 2.467 1.00 45.34 C ATOM 0 H LEU A 78 -10.579 2.457 3.554 1.00 44.53 H new ATOM 0 HA LEU A 78 -7.869 2.340 2.942 1.00 10.44 H new ATOM 0 HB2 LEU A 78 -9.666 3.787 4.766 1.00 34.45 H new ATOM 0 HB3 LEU A 78 -8.052 3.600 5.422 1.00 34.45 H new ATOM 0 HG LEU A 78 -8.195 5.710 4.296 1.00 40.22 H new ATOM 0 HD11 LEU A 78 -6.389 5.483 2.637 1.00 44.15 H new ATOM 0 HD12 LEU A 78 -6.068 4.520 4.098 1.00 44.15 H new ATOM 0 HD13 LEU A 78 -6.637 3.721 2.614 1.00 44.15 H new ATOM 0 HD21 LEU A 78 -8.705 5.887 1.891 1.00 45.34 H new ATOM 0 HD22 LEU A 78 -9.045 4.141 1.839 1.00 45.34 H new ATOM 0 HD23 LEU A 78 -10.076 5.220 2.809 1.00 45.34 H new ATOM 1240 N TYR A 79 -8.583 0.951 5.864 1.00 13.03 N ATOM 1241 CA TYR A 79 -8.091 0.008 6.861 1.00 3.45 C ATOM 1242 C TYR A 79 -7.536 -1.248 6.197 1.00 71.43 C ATOM 1243 O TYR A 79 -6.433 -1.695 6.512 1.00 53.04 O ATOM 1244 CB TYR A 79 -9.209 -0.368 7.835 1.00 11.23 C ATOM 1245 CG TYR A 79 -8.707 -0.836 9.182 1.00 22.50 C ATOM 1246 CD1 TYR A 79 -8.142 0.057 10.085 1.00 73.54 C ATOM 1247 CD2 TYR A 79 -8.796 -2.173 9.552 1.00 53.51 C ATOM 1248 CE1 TYR A 79 -7.681 -0.367 11.316 1.00 52.12 C ATOM 1249 CE2 TYR A 79 -8.340 -2.606 10.782 1.00 5.52 C ATOM 1250 CZ TYR A 79 -7.782 -1.699 11.660 1.00 33.11 C ATOM 1251 OH TYR A 79 -7.325 -2.126 12.886 1.00 74.35 O ATOM 0 H TYR A 79 -9.501 1.345 6.072 1.00 13.03 H new ATOM 0 HA TYR A 79 -7.285 0.491 7.413 1.00 3.45 H new ATOM 0 HB2 TYR A 79 -9.859 0.495 7.979 1.00 11.23 H new ATOM 0 HB3 TYR A 79 -9.818 -1.155 7.390 1.00 11.23 H new ATOM 0 HD1 TYR A 79 -8.062 1.101 9.819 1.00 73.54 H new ATOM 0 HD2 TYR A 79 -9.229 -2.886 8.866 1.00 53.51 H new ATOM 0 HE1 TYR A 79 -7.244 0.340 12.005 1.00 52.12 H new ATOM 0 HE2 TYR A 79 -8.420 -3.648 11.055 1.00 5.52 H new ATOM 0 HH TYR A 79 -7.471 -3.091 12.972 1.00 74.35 H new ATOM 1261 N ASN A 80 -8.310 -1.812 5.275 1.00 20.04 N ATOM 1262 CA ASN A 80 -7.897 -3.017 4.565 1.00 64.13 C ATOM 1263 C ASN A 80 -6.481 -2.869 4.018 1.00 50.44 C ATOM 1264 O ASN A 80 -5.549 -3.522 4.487 1.00 70.40 O ATOM 1265 CB ASN A 80 -8.869 -3.318 3.421 1.00 21.25 C ATOM 1266 CG ASN A 80 -10.295 -3.495 3.907 1.00 40.30 C ATOM 1267 OD1 ASN A 80 -10.567 -3.430 5.105 1.00 11.34 O ATOM 1268 ND2 ASN A 80 -11.213 -3.720 2.974 1.00 30.34 N ATOM 0 H ASN A 80 -9.225 -1.454 5.002 1.00 20.04 H new ATOM 0 HA ASN A 80 -7.909 -3.847 5.272 1.00 64.13 H new ATOM 0 HB2 ASN A 80 -8.834 -2.506 2.694 1.00 21.25 H new ATOM 0 HB3 ASN A 80 -8.549 -4.223 2.904 1.00 21.25 H new ATOM 0 HD21 ASN A 80 -12.190 -3.847 3.240 1.00 30.34 H new ATOM 0 HD22 ASN A 80 -10.941 -3.766 1.992 1.00 30.34 H new ATOM 1275 N THR A 81 -6.326 -2.002 3.021 1.00 44.12 N ATOM 1276 CA THR A 81 -5.025 -1.766 2.408 1.00 25.22 C ATOM 1277 C THR A 81 -3.975 -1.428 3.461 1.00 22.00 C ATOM 1278 O THR A 81 -2.938 -2.087 3.552 1.00 20.11 O ATOM 1279 CB THR A 81 -5.087 -0.624 1.377 1.00 63.42 C ATOM 1280 OG1 THR A 81 -5.916 -1.006 0.274 1.00 72.23 O ATOM 1281 CG2 THR A 81 -3.695 -0.272 0.874 1.00 73.22 C ATOM 0 H THR A 81 -7.086 -1.452 2.621 1.00 44.12 H new ATOM 0 HA THR A 81 -4.744 -2.688 1.900 1.00 25.22 H new ATOM 0 HB THR A 81 -5.512 0.254 1.864 1.00 63.42 H new ATOM 0 HG1 THR A 81 -5.952 -0.274 -0.377 1.00 72.23 H new ATOM 0 HG21 THR A 81 -3.765 0.537 0.147 1.00 73.22 H new ATOM 0 HG22 THR A 81 -3.075 0.046 1.712 1.00 73.22 H new ATOM 0 HG23 THR A 81 -3.247 -1.146 0.402 1.00 73.22 H new ATOM 1289 N ILE A 82 -4.250 -0.398 4.254 1.00 21.33 N ATOM 1290 CA ILE A 82 -3.328 0.026 5.301 1.00 34.15 C ATOM 1291 C ILE A 82 -2.751 -1.175 6.044 1.00 42.41 C ATOM 1292 O ILE A 82 -1.547 -1.246 6.287 1.00 43.44 O ATOM 1293 CB ILE A 82 -4.019 0.958 6.315 1.00 11.52 C ATOM 1294 CG1 ILE A 82 -4.489 2.240 5.623 1.00 5.15 C ATOM 1295 CG2 ILE A 82 -3.076 1.284 7.463 1.00 11.15 C ATOM 1296 CD1 ILE A 82 -5.590 2.959 6.369 1.00 11.04 C ATOM 0 H ILE A 82 -5.103 0.158 4.192 1.00 21.33 H new ATOM 0 HA ILE A 82 -2.521 0.570 4.810 1.00 34.15 H new ATOM 0 HB ILE A 82 -4.891 0.446 6.722 1.00 11.52 H new ATOM 0 HG12 ILE A 82 -3.640 2.913 5.507 1.00 5.15 H new ATOM 0 HG13 ILE A 82 -4.840 1.995 4.621 1.00 5.15 H new ATOM 0 HG21 ILE A 82 -3.579 1.943 8.171 1.00 11.15 H new ATOM 0 HG22 ILE A 82 -2.786 0.363 7.968 1.00 11.15 H new ATOM 0 HG23 ILE A 82 -2.187 1.780 7.074 1.00 11.15 H new ATOM 0 HD11 ILE A 82 -5.874 3.858 5.822 1.00 11.04 H new ATOM 0 HD12 ILE A 82 -6.455 2.303 6.462 1.00 11.04 H new ATOM 0 HD13 ILE A 82 -5.236 3.236 7.362 1.00 11.04 H new ATOM 1308 N ALA A 83 -3.617 -2.116 6.401 1.00 14.40 N ATOM 1309 CA ALA A 83 -3.194 -3.315 7.112 1.00 24.22 C ATOM 1310 C ALA A 83 -2.142 -4.082 6.317 1.00 61.22 C ATOM 1311 O ALA A 83 -1.128 -4.515 6.864 1.00 11.45 O ATOM 1312 CB ALA A 83 -4.391 -4.208 7.405 1.00 2.41 C ATOM 0 H ALA A 83 -4.618 -2.071 6.209 1.00 14.40 H new ATOM 0 HA ALA A 83 -2.746 -3.007 8.057 1.00 24.22 H new ATOM 0 HB1 ALA A 83 -4.058 -5.100 7.937 1.00 2.41 H new ATOM 0 HB2 ALA A 83 -5.108 -3.665 8.021 1.00 2.41 H new ATOM 0 HB3 ALA A 83 -4.865 -4.500 6.468 1.00 2.41 H new ATOM 1318 N VAL A 84 -2.391 -4.248 5.021 1.00 11.35 N ATOM 1319 CA VAL A 84 -1.466 -4.962 4.151 1.00 32.21 C ATOM 1320 C VAL A 84 -0.140 -4.219 4.030 1.00 75.50 C ATOM 1321 O VAL A 84 0.920 -4.767 4.334 1.00 65.43 O ATOM 1322 CB VAL A 84 -2.060 -5.162 2.744 1.00 5.51 C ATOM 1323 CG1 VAL A 84 -1.225 -6.152 1.947 1.00 11.01 C ATOM 1324 CG2 VAL A 84 -3.506 -5.625 2.837 1.00 51.12 C ATOM 0 H VAL A 84 -3.226 -3.897 4.552 1.00 11.35 H new ATOM 0 HA VAL A 84 -1.292 -5.937 4.606 1.00 32.21 H new ATOM 0 HB VAL A 84 -2.042 -4.205 2.222 1.00 5.51 H new ATOM 0 HG11 VAL A 84 -1.660 -6.280 0.956 1.00 11.01 H new ATOM 0 HG12 VAL A 84 -0.207 -5.774 1.850 1.00 11.01 H new ATOM 0 HG13 VAL A 84 -1.208 -7.112 2.463 1.00 11.01 H new ATOM 0 HG21 VAL A 84 -3.910 -5.761 1.834 1.00 51.12 H new ATOM 0 HG22 VAL A 84 -3.551 -6.570 3.378 1.00 51.12 H new ATOM 0 HG23 VAL A 84 -4.095 -4.876 3.366 1.00 51.12 H new ATOM 1334 N LEU A 85 -0.207 -2.969 3.586 1.00 71.52 N ATOM 1335 CA LEU A 85 0.989 -2.150 3.425 1.00 3.01 C ATOM 1336 C LEU A 85 1.913 -2.294 4.630 1.00 41.22 C ATOM 1337 O LEU A 85 3.134 -2.373 4.483 1.00 33.00 O ATOM 1338 CB LEU A 85 0.603 -0.682 3.237 1.00 63.04 C ATOM 1339 CG LEU A 85 1.757 0.321 3.230 1.00 63.22 C ATOM 1340 CD1 LEU A 85 2.793 -0.065 2.184 1.00 22.11 C ATOM 1341 CD2 LEU A 85 1.241 1.729 2.976 1.00 32.03 C ATOM 0 H LEU A 85 -1.076 -2.501 3.331 1.00 71.52 H new ATOM 0 HA LEU A 85 1.521 -2.496 2.539 1.00 3.01 H new ATOM 0 HB2 LEU A 85 0.061 -0.588 2.296 1.00 63.04 H new ATOM 0 HB3 LEU A 85 -0.088 -0.404 4.033 1.00 63.04 H new ATOM 0 HG LEU A 85 2.234 0.302 4.210 1.00 63.22 H new ATOM 0 HD11 LEU A 85 3.607 0.660 2.193 1.00 22.11 H new ATOM 0 HD12 LEU A 85 3.187 -1.056 2.410 1.00 22.11 H new ATOM 0 HD13 LEU A 85 2.328 -0.076 1.198 1.00 22.11 H new ATOM 0 HD21 LEU A 85 2.077 2.428 2.975 1.00 32.03 H new ATOM 0 HD22 LEU A 85 0.738 1.763 2.010 1.00 32.03 H new ATOM 0 HD23 LEU A 85 0.538 2.006 3.761 1.00 32.03 H new ATOM 1353 N TYR A 86 1.325 -2.328 5.820 1.00 74.01 N ATOM 1354 CA TYR A 86 2.095 -2.463 7.051 1.00 42.32 C ATOM 1355 C TYR A 86 3.042 -3.656 6.973 1.00 13.13 C ATOM 1356 O TYR A 86 4.197 -3.574 7.391 1.00 21.22 O ATOM 1357 CB TYR A 86 1.158 -2.618 8.250 1.00 41.21 C ATOM 1358 CG TYR A 86 1.881 -2.865 9.554 1.00 11.03 C ATOM 1359 CD1 TYR A 86 2.427 -1.813 10.279 1.00 72.52 C ATOM 1360 CD2 TYR A 86 2.015 -4.151 10.064 1.00 72.00 C ATOM 1361 CE1 TYR A 86 3.089 -2.035 11.472 1.00 52.45 C ATOM 1362 CE2 TYR A 86 2.673 -4.381 11.256 1.00 65.23 C ATOM 1363 CZ TYR A 86 3.209 -3.321 11.956 1.00 5.20 C ATOM 1364 OH TYR A 86 3.866 -3.545 13.144 1.00 70.22 O ATOM 0 H TYR A 86 0.317 -2.264 5.959 1.00 74.01 H new ATOM 0 HA TYR A 86 2.689 -1.558 7.178 1.00 42.32 H new ATOM 0 HB2 TYR A 86 0.551 -1.717 8.345 1.00 41.21 H new ATOM 0 HB3 TYR A 86 0.473 -3.445 8.061 1.00 41.21 H new ATOM 0 HD1 TYR A 86 2.333 -0.805 9.904 1.00 72.52 H new ATOM 0 HD2 TYR A 86 1.597 -4.984 9.519 1.00 72.00 H new ATOM 0 HE1 TYR A 86 3.510 -1.206 12.022 1.00 52.45 H new ATOM 0 HE2 TYR A 86 2.767 -5.387 11.638 1.00 65.23 H new ATOM 0 HH TYR A 86 3.862 -4.504 13.344 1.00 70.22 H new ATOM 1374 N CYS A 87 2.544 -4.764 6.434 1.00 61.12 N ATOM 1375 CA CYS A 87 3.345 -5.976 6.301 1.00 12.41 C ATOM 1376 C CYS A 87 4.439 -5.793 5.255 1.00 2.42 C ATOM 1377 O CYS A 87 5.492 -6.425 5.325 1.00 22.31 O ATOM 1378 CB CYS A 87 2.454 -7.161 5.923 1.00 2.21 C ATOM 1379 SG CYS A 87 2.230 -7.376 4.141 1.00 20.34 S ATOM 0 H CYS A 87 1.590 -4.848 6.082 1.00 61.12 H new ATOM 0 HA CYS A 87 3.818 -6.177 7.262 1.00 12.41 H new ATOM 0 HB2 CYS A 87 2.885 -8.073 6.337 1.00 2.21 H new ATOM 0 HB3 CYS A 87 1.477 -7.030 6.388 1.00 2.21 H new ATOM 0 HG CYS A 87 1.568 -6.365 3.662 1.00 20.34 H new ATOM 1385 N VAL A 88 4.182 -4.922 4.283 1.00 65.30 N ATOM 1386 CA VAL A 88 5.145 -4.656 3.222 1.00 43.32 C ATOM 1387 C VAL A 88 6.403 -3.995 3.774 1.00 61.21 C ATOM 1388 O VAL A 88 7.496 -4.169 3.235 1.00 43.10 O ATOM 1389 CB VAL A 88 4.541 -3.751 2.131 1.00 62.34 C ATOM 1390 CG1 VAL A 88 5.574 -3.449 1.055 1.00 20.05 C ATOM 1391 CG2 VAL A 88 3.305 -4.400 1.526 1.00 50.02 C ATOM 0 H VAL A 88 3.315 -4.389 4.209 1.00 65.30 H new ATOM 0 HA VAL A 88 5.406 -5.619 2.783 1.00 43.32 H new ATOM 0 HB VAL A 88 4.242 -2.808 2.589 1.00 62.34 H new ATOM 0 HG11 VAL A 88 5.129 -2.809 0.293 1.00 20.05 H new ATOM 0 HG12 VAL A 88 6.428 -2.941 1.503 1.00 20.05 H new ATOM 0 HG13 VAL A 88 5.906 -4.381 0.597 1.00 20.05 H new ATOM 0 HG21 VAL A 88 2.891 -3.748 0.757 1.00 50.02 H new ATOM 0 HG22 VAL A 88 3.577 -5.357 1.081 1.00 50.02 H new ATOM 0 HG23 VAL A 88 2.560 -4.561 2.305 1.00 50.02 H new ATOM 1401 N HIS A 89 6.242 -3.237 4.854 1.00 31.11 N ATOM 1402 CA HIS A 89 7.366 -2.551 5.483 1.00 54.42 C ATOM 1403 C HIS A 89 7.930 -3.376 6.636 1.00 61.44 C ATOM 1404 O HIS A 89 9.148 -3.351 6.805 1.00 42.40 O ATOM 1405 CB HIS A 89 6.932 -1.176 5.990 1.00 52.23 C ATOM 1406 CG HIS A 89 6.546 -0.228 4.896 1.00 71.43 C ATOM 1407 ND1 HIS A 89 7.377 0.082 3.841 1.00 61.44 N ATOM 1408 CD2 HIS A 89 5.408 0.478 4.696 1.00 40.22 C ATOM 1409 CE1 HIS A 89 6.768 0.939 3.040 1.00 32.32 C ATOM 1410 NE2 HIS A 89 5.570 1.194 3.537 1.00 62.24 N ATOM 0 H HIS A 89 5.344 -3.082 5.312 1.00 31.11 H new ATOM 0 HA HIS A 89 8.147 -2.424 4.734 1.00 54.42 H new ATOM 0 HB2 HIS A 89 6.088 -1.298 6.668 1.00 52.23 H new ATOM 0 HB3 HIS A 89 7.745 -0.738 6.569 1.00 52.23 H new ATOM 0 HD2 HIS A 89 4.535 0.478 5.331 1.00 40.22 H new ATOM 0 HE1 HIS A 89 7.179 1.359 2.134 1.00 32.32 H new ATOM 0 HE2 HIS A 89 4.879 1.821 3.126 1.00 62.24 H new ATOM 1419 N GLN A 90 7.106 -4.082 7.404 1.00 71.31 N ATOM 1420 CA GLN A 90 7.599 -4.885 8.517 1.00 11.40 C ATOM 1421 C GLN A 90 7.992 -6.282 8.049 1.00 40.54 C ATOM 1422 O GLN A 90 8.548 -7.070 8.814 1.00 52.42 O ATOM 1423 CB GLN A 90 6.537 -4.981 9.613 1.00 42.11 C ATOM 1424 CG GLN A 90 6.874 -4.177 10.859 1.00 34.50 C ATOM 1425 CD GLN A 90 7.735 -4.952 11.838 1.00 10.41 C ATOM 1426 OE1 GLN A 90 8.962 -4.861 11.811 1.00 53.21 O ATOM 1427 NE2 GLN A 90 7.094 -5.721 12.711 1.00 52.42 N ATOM 0 H GLN A 90 6.095 -4.114 7.276 1.00 71.31 H new ATOM 0 HA GLN A 90 8.485 -4.395 8.921 1.00 11.40 H new ATOM 0 HB2 GLN A 90 5.583 -4.635 9.214 1.00 42.11 H new ATOM 0 HB3 GLN A 90 6.406 -6.027 9.890 1.00 42.11 H new ATOM 0 HG2 GLN A 90 7.393 -3.264 10.568 1.00 34.50 H new ATOM 0 HG3 GLN A 90 5.950 -3.875 11.353 1.00 34.50 H new ATOM 0 HE21 GLN A 90 6.075 -5.767 12.698 1.00 52.42 H new ATOM 0 HE22 GLN A 90 7.621 -6.265 13.394 1.00 52.42 H new ATOM 1436 N ARG A 91 7.699 -6.581 6.787 1.00 22.33 N ATOM 1437 CA ARG A 91 8.021 -7.884 6.218 1.00 32.32 C ATOM 1438 C ARG A 91 7.226 -8.991 6.908 1.00 45.22 C ATOM 1439 O ARG A 91 7.791 -9.996 7.340 1.00 22.01 O ATOM 1440 CB ARG A 91 9.520 -8.164 6.343 1.00 14.01 C ATOM 1441 CG ARG A 91 10.048 -9.135 5.298 1.00 14.31 C ATOM 1442 CD ARG A 91 11.429 -8.729 4.809 1.00 11.42 C ATOM 1443 NE ARG A 91 11.923 -9.620 3.764 1.00 20.32 N ATOM 1444 CZ ARG A 91 13.109 -9.485 3.182 1.00 62.10 C ATOM 1445 NH1 ARG A 91 13.920 -8.499 3.543 1.00 13.24 N ATOM 1446 NH2 ARG A 91 13.488 -10.337 2.238 1.00 61.43 N ATOM 0 H ARG A 91 7.240 -5.939 6.140 1.00 22.33 H new ATOM 0 HA ARG A 91 7.749 -7.868 5.163 1.00 32.32 H new ATOM 0 HB2 ARG A 91 10.065 -7.223 6.261 1.00 14.01 H new ATOM 0 HB3 ARG A 91 9.725 -8.565 7.336 1.00 14.01 H new ATOM 0 HG2 ARG A 91 10.091 -10.139 5.721 1.00 14.31 H new ATOM 0 HG3 ARG A 91 9.359 -9.174 4.454 1.00 14.31 H new ATOM 0 HD2 ARG A 91 11.393 -7.708 4.428 1.00 11.42 H new ATOM 0 HD3 ARG A 91 12.126 -8.732 5.647 1.00 11.42 H new ATOM 0 HE ARG A 91 11.324 -10.389 3.464 1.00 20.32 H new ATOM 0 HH11 ARG A 91 13.633 -7.843 4.269 1.00 13.24 H new ATOM 0 HH12 ARG A 91 14.830 -8.397 3.095 1.00 13.24 H new ATOM 0 HH21 ARG A 91 12.868 -11.097 1.958 1.00 61.43 H new ATOM 0 HH22 ARG A 91 14.399 -10.232 1.792 1.00 61.43 H new ATOM 1460 N ILE A 92 5.916 -8.797 7.007 1.00 12.31 N ATOM 1461 CA ILE A 92 5.046 -9.778 7.644 1.00 42.11 C ATOM 1462 C ILE A 92 4.304 -10.612 6.604 1.00 40.23 C ATOM 1463 O ILE A 92 3.542 -10.081 5.797 1.00 13.41 O ATOM 1464 CB ILE A 92 4.018 -9.101 8.570 1.00 24.21 C ATOM 1465 CG1 ILE A 92 4.730 -8.380 9.716 1.00 2.12 C ATOM 1466 CG2 ILE A 92 3.037 -10.129 9.113 1.00 74.41 C ATOM 1467 CD1 ILE A 92 3.897 -7.291 10.355 1.00 2.02 C ATOM 0 H ILE A 92 5.434 -7.970 6.655 1.00 12.31 H new ATOM 0 HA ILE A 92 5.687 -10.429 8.239 1.00 42.11 H new ATOM 0 HB ILE A 92 3.460 -8.364 7.992 1.00 24.21 H new ATOM 0 HG12 ILE A 92 5.006 -9.109 10.478 1.00 2.12 H new ATOM 0 HG13 ILE A 92 5.656 -7.945 9.341 1.00 2.12 H new ATOM 0 HG21 ILE A 92 2.317 -9.635 9.766 1.00 74.41 H new ATOM 0 HG22 ILE A 92 2.511 -10.603 8.284 1.00 74.41 H new ATOM 0 HG23 ILE A 92 3.580 -10.886 9.679 1.00 74.41 H new ATOM 0 HD11 ILE A 92 4.465 -6.823 11.159 1.00 2.02 H new ATOM 0 HD12 ILE A 92 3.643 -6.541 9.606 1.00 2.02 H new ATOM 0 HD13 ILE A 92 2.982 -7.723 10.761 1.00 2.02 H new ATOM 1479 N ASP A 93 4.532 -11.920 6.631 1.00 62.01 N ATOM 1480 CA ASP A 93 3.884 -12.829 5.693 1.00 13.33 C ATOM 1481 C ASP A 93 2.382 -12.569 5.636 1.00 33.22 C ATOM 1482 O ASP A 93 1.763 -12.215 6.640 1.00 44.42 O ATOM 1483 CB ASP A 93 4.149 -14.281 6.091 1.00 50.11 C ATOM 1484 CG ASP A 93 3.589 -15.268 5.086 1.00 70.11 C ATOM 1485 OD1 ASP A 93 4.307 -15.605 4.120 1.00 34.15 O ATOM 1486 OD2 ASP A 93 2.432 -15.705 5.265 1.00 25.01 O ATOM 0 H ASP A 93 5.161 -12.375 7.293 1.00 62.01 H new ATOM 0 HA ASP A 93 4.303 -12.651 4.703 1.00 13.33 H new ATOM 0 HB2 ASP A 93 5.223 -14.437 6.190 1.00 50.11 H new ATOM 0 HB3 ASP A 93 3.708 -14.473 7.069 1.00 50.11 H new ATOM 1491 N VAL A 94 1.800 -12.749 4.454 1.00 12.03 N ATOM 1492 CA VAL A 94 0.369 -12.534 4.266 1.00 24.34 C ATOM 1493 C VAL A 94 -0.148 -13.307 3.059 1.00 63.14 C ATOM 1494 O VAL A 94 0.194 -12.998 1.917 1.00 65.34 O ATOM 1495 CB VAL A 94 0.045 -11.040 4.084 1.00 72.24 C ATOM 1496 CG1 VAL A 94 0.261 -10.283 5.385 1.00 71.23 C ATOM 1497 CG2 VAL A 94 0.888 -10.446 2.965 1.00 0.43 C ATOM 0 H VAL A 94 2.297 -13.043 3.613 1.00 12.03 H new ATOM 0 HA VAL A 94 -0.127 -12.898 5.166 1.00 24.34 H new ATOM 0 HB VAL A 94 -1.005 -10.945 3.808 1.00 72.24 H new ATOM 0 HG11 VAL A 94 0.027 -9.229 5.236 1.00 71.23 H new ATOM 0 HG12 VAL A 94 -0.390 -10.694 6.157 1.00 71.23 H new ATOM 0 HG13 VAL A 94 1.301 -10.383 5.696 1.00 71.23 H new ATOM 0 HG21 VAL A 94 0.647 -9.389 2.849 1.00 0.43 H new ATOM 0 HG22 VAL A 94 1.945 -10.552 3.210 1.00 0.43 H new ATOM 0 HG23 VAL A 94 0.677 -10.970 2.033 1.00 0.43 H new ATOM 1507 N LYS A 95 -0.974 -14.315 3.316 1.00 12.54 N ATOM 1508 CA LYS A 95 -1.542 -15.132 2.251 1.00 63.22 C ATOM 1509 C LYS A 95 -2.653 -14.383 1.524 1.00 52.24 C ATOM 1510 O LYS A 95 -2.996 -14.713 0.388 1.00 44.54 O ATOM 1511 CB LYS A 95 -2.086 -16.444 2.821 1.00 62.10 C ATOM 1512 CG LYS A 95 -1.821 -17.649 1.934 1.00 11.42 C ATOM 1513 CD LYS A 95 -0.357 -18.052 1.963 1.00 4.13 C ATOM 1514 CE LYS A 95 -0.175 -19.450 2.534 1.00 22.14 C ATOM 1515 NZ LYS A 95 -0.186 -20.490 1.469 1.00 24.04 N ATOM 0 H LYS A 95 -1.266 -14.586 4.255 1.00 12.54 H new ATOM 0 HA LYS A 95 -0.749 -15.354 1.536 1.00 63.22 H new ATOM 0 HB2 LYS A 95 -1.639 -16.618 3.800 1.00 62.10 H new ATOM 0 HB3 LYS A 95 -3.161 -16.346 2.975 1.00 62.10 H new ATOM 0 HG2 LYS A 95 -2.436 -18.486 2.263 1.00 11.42 H new ATOM 0 HG3 LYS A 95 -2.116 -17.420 0.910 1.00 11.42 H new ATOM 0 HD2 LYS A 95 0.052 -18.014 0.953 1.00 4.13 H new ATOM 0 HD3 LYS A 95 0.207 -17.337 2.562 1.00 4.13 H new ATOM 0 HE2 LYS A 95 0.767 -19.499 3.080 1.00 22.14 H new ATOM 0 HE3 LYS A 95 -0.970 -19.656 3.251 1.00 22.14 H new ATOM 0 HZ1 LYS A 95 -0.059 -21.428 1.899 1.00 24.04 H new ATOM 0 HZ2 LYS A 95 -1.095 -20.460 0.964 1.00 24.04 H new ATOM 0 HZ3 LYS A 95 0.588 -20.309 0.799 1.00 24.04 H new ATOM 1529 N ASP A 96 -3.211 -13.374 2.184 1.00 41.23 N ATOM 1530 CA ASP A 96 -4.282 -12.577 1.598 1.00 3.51 C ATOM 1531 C ASP A 96 -4.641 -11.402 2.503 1.00 53.12 C ATOM 1532 O ASP A 96 -4.051 -11.221 3.567 1.00 3.34 O ATOM 1533 CB ASP A 96 -5.517 -13.444 1.352 1.00 43.43 C ATOM 1534 CG ASP A 96 -5.847 -14.330 2.537 1.00 72.25 C ATOM 1535 OD1 ASP A 96 -6.494 -13.836 3.485 1.00 61.43 O ATOM 1536 OD2 ASP A 96 -5.461 -15.516 2.516 1.00 63.52 O ATOM 0 H ASP A 96 -2.939 -13.089 3.125 1.00 41.23 H new ATOM 0 HA ASP A 96 -3.929 -12.184 0.644 1.00 3.51 H new ATOM 0 HB2 ASP A 96 -6.370 -12.802 1.133 1.00 43.43 H new ATOM 0 HB3 ASP A 96 -5.352 -14.066 0.472 1.00 43.43 H new ATOM 1541 N THR A 97 -5.615 -10.605 2.071 1.00 20.41 N ATOM 1542 CA THR A 97 -6.052 -9.447 2.840 1.00 21.24 C ATOM 1543 C THR A 97 -6.402 -9.838 4.271 1.00 20.53 C ATOM 1544 O THR A 97 -6.080 -9.121 5.219 1.00 33.35 O ATOM 1545 CB THR A 97 -7.274 -8.771 2.191 1.00 2.15 C ATOM 1546 OG1 THR A 97 -6.897 -8.164 0.951 1.00 72.52 O ATOM 1547 CG2 THR A 97 -7.864 -7.718 3.117 1.00 34.15 C ATOM 0 H THR A 97 -6.115 -10.741 1.193 1.00 20.41 H new ATOM 0 HA THR A 97 -5.220 -8.743 2.852 1.00 21.24 H new ATOM 0 HB THR A 97 -8.029 -9.535 2.006 1.00 2.15 H new ATOM 0 HG1 THR A 97 -7.680 -7.737 0.544 1.00 72.52 H new ATOM 0 HG21 THR A 97 -8.726 -7.254 2.638 1.00 34.15 H new ATOM 0 HG22 THR A 97 -8.177 -8.188 4.050 1.00 34.15 H new ATOM 0 HG23 THR A 97 -7.113 -6.957 3.328 1.00 34.15 H new ATOM 1555 N LYS A 98 -7.063 -10.981 4.423 1.00 52.24 N ATOM 1556 CA LYS A 98 -7.457 -11.470 5.739 1.00 62.43 C ATOM 1557 C LYS A 98 -6.241 -11.951 6.526 1.00 71.01 C ATOM 1558 O LYS A 98 -6.063 -11.592 7.689 1.00 51.31 O ATOM 1559 CB LYS A 98 -8.471 -12.607 5.601 1.00 33.40 C ATOM 1560 CG LYS A 98 -9.175 -12.955 6.901 1.00 12.31 C ATOM 1561 CD LYS A 98 -10.221 -11.914 7.264 1.00 33.10 C ATOM 1562 CE LYS A 98 -9.809 -11.112 8.488 1.00 44.42 C ATOM 1563 NZ LYS A 98 -10.950 -10.344 9.058 1.00 54.53 N ATOM 0 H LYS A 98 -7.337 -11.587 3.650 1.00 52.24 H new ATOM 0 HA LYS A 98 -7.918 -10.645 6.283 1.00 62.43 H new ATOM 0 HB2 LYS A 98 -9.217 -12.329 4.857 1.00 33.40 H new ATOM 0 HB3 LYS A 98 -7.961 -13.494 5.225 1.00 33.40 H new ATOM 0 HG2 LYS A 98 -9.649 -13.932 6.809 1.00 12.31 H new ATOM 0 HG3 LYS A 98 -8.442 -13.031 7.704 1.00 12.31 H new ATOM 0 HD2 LYS A 98 -10.373 -11.240 6.421 1.00 33.10 H new ATOM 0 HD3 LYS A 98 -11.175 -12.406 7.455 1.00 33.10 H new ATOM 0 HE2 LYS A 98 -9.410 -11.786 9.246 1.00 44.42 H new ATOM 0 HE3 LYS A 98 -9.007 -10.425 8.219 1.00 44.42 H new ATOM 0 HZ1 LYS A 98 -10.628 -9.811 9.891 1.00 54.53 H new ATOM 0 HZ2 LYS A 98 -11.315 -9.683 8.343 1.00 54.53 H new ATOM 0 HZ3 LYS A 98 -11.705 -11.002 9.339 1.00 54.53 H new ATOM 1577 N GLU A 99 -5.409 -12.764 5.882 1.00 15.24 N ATOM 1578 CA GLU A 99 -4.211 -13.293 6.524 1.00 43.25 C ATOM 1579 C GLU A 99 -3.412 -12.176 7.190 1.00 51.44 C ATOM 1580 O GLU A 99 -2.841 -12.362 8.263 1.00 4.22 O ATOM 1581 CB GLU A 99 -3.336 -14.019 5.500 1.00 53.34 C ATOM 1582 CG GLU A 99 -3.030 -15.459 5.874 1.00 35.30 C ATOM 1583 CD GLU A 99 -4.029 -16.439 5.290 1.00 51.13 C ATOM 1584 OE1 GLU A 99 -5.208 -16.060 5.129 1.00 10.42 O ATOM 1585 OE2 GLU A 99 -3.631 -17.585 4.993 1.00 62.00 O ATOM 0 H GLU A 99 -5.542 -13.070 4.918 1.00 15.24 H new ATOM 0 HA GLU A 99 -4.524 -14.001 7.292 1.00 43.25 H new ATOM 0 HB2 GLU A 99 -3.835 -14.002 4.531 1.00 53.34 H new ATOM 0 HB3 GLU A 99 -2.398 -13.475 5.385 1.00 53.34 H new ATOM 0 HG2 GLU A 99 -2.029 -15.716 5.526 1.00 35.30 H new ATOM 0 HG3 GLU A 99 -3.025 -15.555 6.960 1.00 35.30 H new ATOM 1592 N ALA A 100 -3.379 -11.015 6.545 1.00 41.45 N ATOM 1593 CA ALA A 100 -2.652 -9.867 7.073 1.00 0.40 C ATOM 1594 C ALA A 100 -3.211 -9.439 8.426 1.00 33.32 C ATOM 1595 O ALA A 100 -2.468 -9.278 9.394 1.00 22.02 O ATOM 1596 CB ALA A 100 -2.705 -8.709 6.088 1.00 12.13 C ATOM 0 H ALA A 100 -3.848 -10.844 5.655 1.00 41.45 H new ATOM 0 HA ALA A 100 -1.612 -10.161 7.215 1.00 0.40 H new ATOM 0 HB1 ALA A 100 -2.158 -7.859 6.496 1.00 12.13 H new ATOM 0 HB2 ALA A 100 -2.252 -9.013 5.144 1.00 12.13 H new ATOM 0 HB3 ALA A 100 -3.743 -8.424 5.917 1.00 12.13 H new ATOM 1602 N LEU A 101 -4.526 -9.256 8.485 1.00 15.15 N ATOM 1603 CA LEU A 101 -5.186 -8.846 9.721 1.00 62.20 C ATOM 1604 C LEU A 101 -4.861 -9.810 10.858 1.00 21.31 C ATOM 1605 O LEU A 101 -4.334 -9.407 11.895 1.00 52.43 O ATOM 1606 CB LEU A 101 -6.700 -8.775 9.514 1.00 74.22 C ATOM 1607 CG LEU A 101 -7.337 -7.397 9.687 1.00 1.43 C ATOM 1608 CD1 LEU A 101 -6.935 -6.787 11.021 1.00 70.10 C ATOM 1609 CD2 LEU A 101 -6.944 -6.479 8.539 1.00 4.13 C ATOM 0 H LEU A 101 -5.156 -9.385 7.693 1.00 15.15 H new ATOM 0 HA LEU A 101 -4.815 -7.857 9.991 1.00 62.20 H new ATOM 0 HB2 LEU A 101 -6.926 -9.134 8.510 1.00 74.22 H new ATOM 0 HB3 LEU A 101 -7.175 -9.463 10.214 1.00 74.22 H new ATOM 0 HG LEU A 101 -8.421 -7.515 9.676 1.00 1.43 H new ATOM 0 HD11 LEU A 101 -7.398 -5.806 11.127 1.00 70.10 H new ATOM 0 HD12 LEU A 101 -7.268 -7.435 11.832 1.00 70.10 H new ATOM 0 HD13 LEU A 101 -5.851 -6.683 11.061 1.00 70.10 H new ATOM 0 HD21 LEU A 101 -7.407 -5.502 8.679 1.00 4.13 H new ATOM 0 HD22 LEU A 101 -5.860 -6.367 8.517 1.00 4.13 H new ATOM 0 HD23 LEU A 101 -7.283 -6.909 7.597 1.00 4.13 H new ATOM 1621 N ASP A 102 -5.177 -11.084 10.654 1.00 20.31 N ATOM 1622 CA ASP A 102 -4.916 -12.106 11.660 1.00 1.15 C ATOM 1623 C ASP A 102 -3.417 -12.263 11.901 1.00 55.52 C ATOM 1624 O ASP A 102 -2.993 -13.004 12.787 1.00 31.54 O ATOM 1625 CB ASP A 102 -5.517 -13.444 11.228 1.00 65.20 C ATOM 1626 CG ASP A 102 -6.932 -13.636 11.738 1.00 52.31 C ATOM 1627 OD1 ASP A 102 -7.139 -13.530 12.965 1.00 73.14 O ATOM 1628 OD2 ASP A 102 -7.832 -13.892 10.910 1.00 11.22 O ATOM 0 H ASP A 102 -5.614 -11.433 9.801 1.00 20.31 H new ATOM 0 HA ASP A 102 -5.385 -11.790 12.592 1.00 1.15 H new ATOM 0 HB2 ASP A 102 -5.515 -13.505 10.140 1.00 65.20 H new ATOM 0 HB3 ASP A 102 -4.889 -14.256 11.594 1.00 65.20 H new ATOM 1633 N LYS A 103 -2.619 -11.558 11.106 1.00 11.33 N ATOM 1634 CA LYS A 103 -1.168 -11.616 11.231 1.00 22.41 C ATOM 1635 C LYS A 103 -0.651 -10.475 12.100 1.00 5.40 C ATOM 1636 O LYS A 103 0.077 -10.700 13.068 1.00 42.22 O ATOM 1637 CB LYS A 103 -0.514 -11.557 9.849 1.00 64.32 C ATOM 1638 CG LYS A 103 -0.120 -12.919 9.304 1.00 74.14 C ATOM 1639 CD LYS A 103 1.124 -13.457 9.990 1.00 33.43 C ATOM 1640 CE LYS A 103 1.435 -14.879 9.546 1.00 11.31 C ATOM 1641 NZ LYS A 103 2.826 -15.277 9.898 1.00 53.01 N ATOM 0 H LYS A 103 -2.954 -10.939 10.367 1.00 11.33 H new ATOM 0 HA LYS A 103 -0.907 -12.560 11.709 1.00 22.41 H new ATOM 0 HB2 LYS A 103 -1.202 -11.081 9.151 1.00 64.32 H new ATOM 0 HB3 LYS A 103 0.373 -10.926 9.903 1.00 64.32 H new ATOM 0 HG2 LYS A 103 -0.944 -13.619 9.442 1.00 74.14 H new ATOM 0 HG3 LYS A 103 0.059 -12.845 8.231 1.00 74.14 H new ATOM 0 HD2 LYS A 103 1.973 -12.811 9.766 1.00 33.43 H new ATOM 0 HD3 LYS A 103 0.983 -13.435 11.071 1.00 33.43 H new ATOM 0 HE2 LYS A 103 0.731 -15.568 10.013 1.00 11.31 H new ATOM 0 HE3 LYS A 103 1.295 -14.962 8.468 1.00 11.31 H new ATOM 0 HZ1 LYS A 103 2.999 -16.252 9.579 1.00 53.01 H new ATOM 0 HZ2 LYS A 103 3.499 -14.635 9.432 1.00 53.01 H new ATOM 0 HZ3 LYS A 103 2.952 -15.222 10.929 1.00 53.01 H new