USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 826 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 87 HIS : no HE2:sc= -0.761 K(o=2.6,f=1.3) USER MOD Set 1.2: A 91 THR OG1 : rot -88:sc= 2.07 USER MOD Set 1.3: A 93 GLN : amide:sc= 1.31 K(o=2.6,f=1.3) USER MOD Set 2.1: A 52 SER OG : rot 64:sc= 1.3 USER MOD Set 2.2: A 61 HIS : no HD1:sc= 1.26 K(o=2.6,f=-7.2!) USER MOD Single : A 10 GLN : amide:sc= -0.371 X(o=-0.37,f=-0.023) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 HIS : no HD1:sc= -0.42 X(o=-0.42,f=-0.78) USER MOD Single : A 16 GLN : amide:sc= 0.806 K(o=0.81,f=-0.26) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 HIS :FLIP no HE2:sc= -1.15 F(o=-2.4,f=-1.1) USER MOD Single : A 34 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.16) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0399 USER MOD Single : A 44 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.54) USER MOD Single : A 46 LYS NZ :NH3+ -144:sc= 0.616 (180deg=0.012) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00406 K(o=-0.0041,f=-1.1) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.381 X(o=-0.38,f=-0.74) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= 1.5 K(o=1.5,f=-0.3) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 170:sc= -0.0111 (180deg=-0.124) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HE2:sc= -0.251 X(o=-0.25,f=-0.17) USER MOD Single : A 109 SER OG : rot 180:sc= 0.00205 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 11.248 7.236 6.758 1.00 0.00 N ATOM 67 CA GLU A 8 10.856 6.400 5.622 1.00 0.00 C ATOM 68 C GLU A 8 9.882 7.106 4.681 1.00 0.00 C ATOM 69 O GLU A 8 9.931 6.886 3.469 1.00 0.00 O ATOM 70 CB GLU A 8 10.267 5.032 6.021 1.00 0.00 C ATOM 71 CG GLU A 8 10.324 4.589 7.486 1.00 0.00 C ATOM 72 CD GLU A 8 9.446 5.432 8.409 1.00 0.00 C ATOM 73 OE1 GLU A 8 8.204 5.383 8.271 1.00 0.00 O ATOM 74 OE2 GLU A 8 10.018 6.153 9.255 1.00 0.00 O ATOM 0 HA GLU A 8 11.795 6.218 5.099 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.220 5.025 5.717 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.776 4.271 5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.014 3.546 7.555 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.356 4.639 7.833 1.00 0.00 H new ATOM 81 N VAL A 9 9.036 7.985 5.218 1.00 0.00 N ATOM 82 CA VAL A 9 8.059 8.700 4.421 1.00 0.00 C ATOM 83 C VAL A 9 8.740 9.608 3.373 1.00 0.00 C ATOM 84 O VAL A 9 8.186 9.802 2.290 1.00 0.00 O ATOM 85 CB VAL A 9 7.042 9.392 5.357 1.00 0.00 C ATOM 86 CG1 VAL A 9 7.593 10.659 6.012 1.00 0.00 C ATOM 87 CG2 VAL A 9 5.742 9.729 4.624 1.00 0.00 C ATOM 0 H VAL A 9 9.014 8.215 6.211 1.00 0.00 H new ATOM 0 HA VAL A 9 7.476 8.008 3.813 1.00 0.00 H new ATOM 0 HB VAL A 9 6.839 8.669 6.147 1.00 0.00 H new ATOM 0 HG11 VAL A 9 6.830 11.097 6.656 1.00 0.00 H new ATOM 0 HG12 VAL A 9 8.471 10.408 6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 9 7.871 11.376 5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 9 5.051 10.214 5.313 1.00 0.00 H new ATOM 0 HG22 VAL A 9 5.957 10.400 3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.291 8.813 4.243 1.00 0.00 H new ATOM 97 N GLN A 10 9.943 10.149 3.645 1.00 0.00 N ATOM 98 CA GLN A 10 10.676 10.997 2.710 1.00 0.00 C ATOM 99 C GLN A 10 11.264 10.190 1.546 1.00 0.00 C ATOM 100 O GLN A 10 11.694 10.785 0.550 1.00 0.00 O ATOM 101 CB GLN A 10 11.832 11.723 3.429 1.00 0.00 C ATOM 102 CG GLN A 10 11.398 13.001 4.145 1.00 0.00 C ATOM 103 CD GLN A 10 10.815 12.811 5.538 1.00 0.00 C ATOM 104 OE1 GLN A 10 11.511 12.402 6.465 1.00 0.00 O ATOM 105 NE2 GLN A 10 9.564 13.182 5.731 1.00 0.00 N ATOM 0 H GLN A 10 10.430 10.003 4.529 1.00 0.00 H new ATOM 0 HA GLN A 10 9.961 11.719 2.316 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.281 11.045 4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.605 11.969 2.701 1.00 0.00 H new ATOM 0 HG2 GLN A 10 12.260 13.665 4.219 1.00 0.00 H new ATOM 0 HG3 GLN A 10 10.657 13.508 3.527 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.005 13.518 4.947 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.156 13.133 6.664 1.00 0.00 H new ATOM 114 N LYS A 11 11.385 8.866 1.660 1.00 0.00 N ATOM 115 CA LYS A 11 11.931 8.047 0.583 1.00 0.00 C ATOM 116 C LYS A 11 10.831 7.871 -0.466 1.00 0.00 C ATOM 117 O LYS A 11 9.675 7.673 -0.078 1.00 0.00 O ATOM 118 CB LYS A 11 12.404 6.690 1.117 1.00 0.00 C ATOM 119 CG LYS A 11 13.403 6.759 2.285 1.00 0.00 C ATOM 120 CD LYS A 11 13.839 5.337 2.669 1.00 0.00 C ATOM 121 CE LYS A 11 14.588 5.278 4.004 1.00 0.00 C ATOM 122 NZ LYS A 11 15.968 5.794 3.945 1.00 0.00 N ATOM 0 H LYS A 11 11.111 8.340 2.490 1.00 0.00 H new ATOM 0 HA LYS A 11 12.800 8.533 0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.532 6.120 1.438 1.00 0.00 H new ATOM 0 HB3 LYS A 11 12.864 6.135 0.299 1.00 0.00 H new ATOM 0 HG2 LYS A 11 14.271 7.353 2.000 1.00 0.00 H new ATOM 0 HG3 LYS A 11 12.945 7.254 3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.959 4.696 2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.478 4.934 1.883 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.030 5.848 4.747 1.00 0.00 H new ATOM 0 HE3 LYS A 11 14.613 4.244 4.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 16.407 5.720 4.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 16.518 5.236 3.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 15.954 6.790 3.647 1.00 0.00 H new ATOM 136 N PRO A 12 11.103 7.977 -1.778 1.00 0.00 N ATOM 137 CA PRO A 12 10.059 7.789 -2.773 1.00 0.00 C ATOM 138 C PRO A 12 9.626 6.324 -2.750 1.00 0.00 C ATOM 139 O PRO A 12 10.312 5.469 -2.189 1.00 0.00 O ATOM 140 CB PRO A 12 10.676 8.202 -4.106 1.00 0.00 C ATOM 141 CG PRO A 12 12.156 7.898 -3.909 1.00 0.00 C ATOM 142 CD PRO A 12 12.384 8.204 -2.422 1.00 0.00 C ATOM 0 HA PRO A 12 9.165 8.385 -2.587 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.255 7.637 -4.938 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.506 9.257 -4.320 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.389 6.860 -4.146 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.783 8.519 -4.548 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.154 7.557 -2.002 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.718 9.232 -2.280 1.00 0.00 H new ATOM 150 N LEU A 13 8.502 6.021 -3.399 1.00 0.00 N ATOM 151 CA LEU A 13 7.957 4.668 -3.462 1.00 0.00 C ATOM 152 C LEU A 13 8.995 3.640 -3.936 1.00 0.00 C ATOM 153 O LEU A 13 9.019 2.527 -3.427 1.00 0.00 O ATOM 154 CB LEU A 13 6.692 4.688 -4.341 1.00 0.00 C ATOM 155 CG LEU A 13 6.212 3.317 -4.855 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.704 3.319 -5.092 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.851 3.010 -6.217 1.00 0.00 C ATOM 0 H LEU A 13 7.942 6.712 -3.898 1.00 0.00 H new ATOM 0 HA LEU A 13 7.683 4.343 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.883 5.145 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.879 5.332 -5.200 1.00 0.00 H new ATOM 0 HG LEU A 13 6.489 2.581 -4.100 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.391 2.340 -5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.189 3.541 -4.157 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.453 4.077 -5.834 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.505 2.039 -6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.566 3.780 -6.934 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.936 2.993 -6.114 1.00 0.00 H new ATOM 169 N HIS A 14 9.885 4.026 -4.851 1.00 0.00 N ATOM 170 CA HIS A 14 10.926 3.168 -5.429 1.00 0.00 C ATOM 171 C HIS A 14 12.024 2.743 -4.437 1.00 0.00 C ATOM 172 O HIS A 14 12.950 2.037 -4.830 1.00 0.00 O ATOM 173 CB HIS A 14 11.533 3.848 -6.673 1.00 0.00 C ATOM 174 CG HIS A 14 10.636 4.875 -7.323 1.00 0.00 C ATOM 175 ND1 HIS A 14 10.772 6.235 -7.172 1.00 0.00 N ATOM 176 CD2 HIS A 14 9.431 4.642 -7.932 1.00 0.00 C ATOM 177 CE1 HIS A 14 9.654 6.810 -7.627 1.00 0.00 C ATOM 178 NE2 HIS A 14 8.806 5.884 -8.117 1.00 0.00 N ATOM 0 H HIS A 14 9.904 4.975 -5.224 1.00 0.00 H new ATOM 0 HA HIS A 14 10.433 2.239 -5.716 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.469 4.329 -6.389 1.00 0.00 H new ATOM 0 HB3 HIS A 14 11.779 3.081 -7.408 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.035 3.679 -8.217 1.00 0.00 H new ATOM 0 HE1 HIS A 14 9.457 7.872 -7.605 1.00 0.00 H new ATOM 0 HE2 HIS A 14 7.892 6.053 -8.538 1.00 0.00 H new ATOM 186 N GLU A 15 11.951 3.168 -3.177 1.00 0.00 N ATOM 187 CA GLU A 15 12.903 2.851 -2.110 1.00 0.00 C ATOM 188 C GLU A 15 12.187 2.177 -0.924 1.00 0.00 C ATOM 189 O GLU A 15 12.782 1.945 0.133 1.00 0.00 O ATOM 190 CB GLU A 15 13.550 4.160 -1.640 1.00 0.00 C ATOM 191 CG GLU A 15 14.312 4.957 -2.709 1.00 0.00 C ATOM 192 CD GLU A 15 15.651 4.369 -3.146 1.00 0.00 C ATOM 193 OE1 GLU A 15 16.188 3.461 -2.474 1.00 0.00 O ATOM 194 OE2 GLU A 15 16.199 4.876 -4.159 1.00 0.00 O ATOM 0 H GLU A 15 11.193 3.770 -2.856 1.00 0.00 H new ATOM 0 HA GLU A 15 13.658 2.162 -2.489 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.770 4.799 -1.226 1.00 0.00 H new ATOM 0 HB3 GLU A 15 14.239 3.930 -0.827 1.00 0.00 H new ATOM 0 HG2 GLU A 15 13.674 5.052 -3.588 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.485 5.964 -2.330 1.00 0.00 H new ATOM 201 N GLN A 16 10.884 1.923 -1.061 1.00 0.00 N ATOM 202 CA GLN A 16 10.058 1.322 -0.030 1.00 0.00 C ATOM 203 C GLN A 16 10.109 -0.202 -0.068 1.00 0.00 C ATOM 204 O GLN A 16 9.906 -0.825 -1.112 1.00 0.00 O ATOM 205 CB GLN A 16 8.601 1.767 -0.206 1.00 0.00 C ATOM 206 CG GLN A 16 8.403 3.290 -0.170 1.00 0.00 C ATOM 207 CD GLN A 16 8.566 3.927 1.202 1.00 0.00 C ATOM 208 OE1 GLN A 16 8.256 3.332 2.225 1.00 0.00 O ATOM 209 NE2 GLN A 16 9.015 5.168 1.249 1.00 0.00 N ATOM 0 H GLN A 16 10.369 2.137 -1.915 1.00 0.00 H new ATOM 0 HA GLN A 16 10.451 1.655 0.931 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.228 1.385 -1.156 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.996 1.314 0.580 1.00 0.00 H new ATOM 0 HG2 GLN A 16 9.115 3.750 -0.855 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.406 3.521 -0.545 1.00 0.00 H new ATOM 0 HE21 GLN A 16 9.270 5.651 0.388 1.00 0.00 H new ATOM 0 HE22 GLN A 16 9.107 5.643 2.147 1.00 0.00 H new ATOM 218 N LEU A 17 10.259 -0.786 1.119 1.00 0.00 N ATOM 219 CA LEU A 17 10.316 -2.221 1.385 1.00 0.00 C ATOM 220 C LEU A 17 9.050 -2.936 0.934 1.00 0.00 C ATOM 221 O LEU A 17 9.108 -4.122 0.624 1.00 0.00 O ATOM 222 CB LEU A 17 10.620 -2.524 2.873 1.00 0.00 C ATOM 223 CG LEU A 17 9.691 -2.066 4.031 1.00 0.00 C ATOM 224 CD1 LEU A 17 9.442 -0.560 4.030 1.00 0.00 C ATOM 225 CD2 LEU A 17 8.333 -2.761 4.180 1.00 0.00 C ATOM 0 H LEU A 17 10.350 -0.236 1.973 1.00 0.00 H new ATOM 0 HA LEU A 17 11.144 -2.610 0.793 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.710 -3.607 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.605 -2.105 3.080 1.00 0.00 H new ATOM 0 HG LEU A 17 10.287 -2.381 4.888 1.00 0.00 H new ATOM 0 HD11 LEU A 17 8.787 -0.299 4.861 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.391 -0.034 4.137 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.971 -0.270 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 17 7.798 -2.336 5.029 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.748 -2.614 3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.486 -3.828 4.345 1.00 0.00 H new ATOM 237 N TRP A 18 7.929 -2.222 0.832 1.00 0.00 N ATOM 238 CA TRP A 18 6.639 -2.758 0.431 1.00 0.00 C ATOM 239 C TRP A 18 6.319 -2.565 -1.046 1.00 0.00 C ATOM 240 O TRP A 18 5.206 -2.888 -1.478 1.00 0.00 O ATOM 241 CB TRP A 18 5.570 -2.113 1.307 1.00 0.00 C ATOM 242 CG TRP A 18 5.630 -0.622 1.523 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.977 -0.001 2.676 1.00 0.00 C ATOM 244 CD2 TRP A 18 5.304 0.453 0.588 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.864 1.367 2.525 1.00 0.00 N ATOM 246 CE2 TRP A 18 5.408 1.698 1.270 1.00 0.00 C ATOM 247 CE3 TRP A 18 4.955 0.518 -0.776 1.00 0.00 C ATOM 248 CZ2 TRP A 18 5.133 2.919 0.643 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.714 1.741 -1.429 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.783 2.947 -0.716 1.00 0.00 C ATOM 0 H TRP A 18 7.898 -1.223 1.034 1.00 0.00 H new ATOM 0 HA TRP A 18 6.666 -3.839 0.571 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.598 -2.348 0.873 1.00 0.00 H new ATOM 0 HB3 TRP A 18 5.607 -2.593 2.285 1.00 0.00 H new ATOM 0 HD1 TRP A 18 6.295 -0.501 3.579 1.00 0.00 H new ATOM 0 HE1 TRP A 18 6.090 2.046 3.252 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.870 -0.400 -1.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 5.190 3.840 1.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.475 1.751 -2.482 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.570 3.885 -1.206 1.00 0.00 H new ATOM 261 N TYR A 19 7.218 -1.963 -1.823 1.00 0.00 N ATOM 262 CA TYR A 19 6.992 -1.758 -3.236 1.00 0.00 C ATOM 263 C TYR A 19 7.597 -2.945 -3.980 1.00 0.00 C ATOM 264 O TYR A 19 8.688 -2.893 -4.550 1.00 0.00 O ATOM 265 CB TYR A 19 7.497 -0.393 -3.688 1.00 0.00 C ATOM 266 CG TYR A 19 7.357 -0.237 -5.192 1.00 0.00 C ATOM 267 CD1 TYR A 19 6.103 -0.444 -5.805 1.00 0.00 C ATOM 268 CD2 TYR A 19 8.487 0.018 -5.985 1.00 0.00 C ATOM 269 CE1 TYR A 19 5.975 -0.352 -7.200 1.00 0.00 C ATOM 270 CE2 TYR A 19 8.373 0.113 -7.380 1.00 0.00 C ATOM 271 CZ TYR A 19 7.113 -0.056 -7.993 1.00 0.00 C ATOM 272 OH TYR A 19 6.997 0.043 -9.345 1.00 0.00 O ATOM 0 H TYR A 19 8.113 -1.610 -1.486 1.00 0.00 H new ATOM 0 HA TYR A 19 5.928 -1.729 -3.469 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.936 0.393 -3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.542 -0.274 -3.401 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.239 -0.674 -5.199 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.452 0.142 -5.517 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.014 -0.506 -7.667 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.246 0.315 -7.983 1.00 0.00 H new ATOM 0 HH TYR A 19 7.872 0.252 -9.734 1.00 0.00 H new ATOM 282 N HIS A 20 6.842 -4.044 -3.982 1.00 0.00 N ATOM 283 CA HIS A 20 7.263 -5.278 -4.639 1.00 0.00 C ATOM 284 C HIS A 20 7.374 -5.079 -6.162 1.00 0.00 C ATOM 285 O HIS A 20 7.997 -5.883 -6.855 1.00 0.00 O ATOM 286 CB HIS A 20 6.309 -6.423 -4.272 1.00 0.00 C ATOM 287 CG HIS A 20 6.331 -6.822 -2.810 1.00 0.00 C ATOM 288 ND1 HIS A 20 5.814 -6.122 -1.756 1.00 0.00 N flip ATOM 289 CD2 HIS A 20 6.810 -8.006 -2.296 1.00 0.00 C flip ATOM 290 CE1 HIS A 20 5.969 -6.883 -0.600 1.00 0.00 C flip ATOM 291 NE2 HIS A 20 6.586 -8.012 -0.972 1.00 0.00 N flip ATOM 0 H HIS A 20 5.929 -4.103 -3.532 1.00 0.00 H new ATOM 0 HA HIS A 20 8.257 -5.549 -4.283 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.293 -6.131 -4.540 1.00 0.00 H new ATOM 0 HB3 HIS A 20 6.560 -7.295 -4.876 1.00 0.00 H new ATOM 0 HD1 HIS A 20 5.386 -5.197 -1.807 1.00 0.00 H new ATOM 0 HD2 HIS A 20 7.285 -8.795 -2.861 1.00 0.00 H new ATOM 0 HE1 HIS A 20 5.654 -6.616 0.398 1.00 0.00 H new ATOM 299 N GLY A 21 6.783 -4.016 -6.717 1.00 0.00 N ATOM 300 CA GLY A 21 6.842 -3.723 -8.136 1.00 0.00 C ATOM 301 C GLY A 21 5.742 -4.418 -8.924 1.00 0.00 C ATOM 302 O GLY A 21 4.698 -4.775 -8.385 1.00 0.00 O ATOM 0 H GLY A 21 6.247 -3.334 -6.181 1.00 0.00 H new ATOM 0 HA2 GLY A 21 6.765 -2.646 -8.284 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.812 -4.030 -8.526 1.00 0.00 H new ATOM 306 N ALA A 22 5.946 -4.586 -10.228 1.00 0.00 N ATOM 307 CA ALA A 22 5.038 -5.211 -11.186 1.00 0.00 C ATOM 308 C ALA A 22 4.864 -6.733 -11.000 1.00 0.00 C ATOM 309 O ALA A 22 4.643 -7.440 -11.990 1.00 0.00 O ATOM 310 CB ALA A 22 5.521 -4.860 -12.600 1.00 0.00 C ATOM 0 H ALA A 22 6.807 -4.268 -10.673 1.00 0.00 H new ATOM 0 HA ALA A 22 4.039 -4.811 -11.010 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.858 -5.316 -13.335 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.515 -3.778 -12.728 1.00 0.00 H new ATOM 0 HB3 ALA A 22 6.534 -5.237 -12.742 1.00 0.00 H new ATOM 316 N ILE A 23 4.988 -7.260 -9.779 1.00 0.00 N ATOM 317 CA ILE A 23 4.829 -8.685 -9.490 1.00 0.00 C ATOM 318 C ILE A 23 3.431 -9.168 -9.917 1.00 0.00 C ATOM 319 O ILE A 23 2.481 -8.373 -9.929 1.00 0.00 O ATOM 320 CB ILE A 23 5.075 -8.977 -7.993 1.00 0.00 C ATOM 321 CG1 ILE A 23 4.198 -8.119 -7.052 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.567 -8.795 -7.685 1.00 0.00 C ATOM 323 CD1 ILE A 23 4.025 -8.778 -5.684 1.00 0.00 C ATOM 0 H ILE A 23 5.204 -6.701 -8.954 1.00 0.00 H new ATOM 0 HA ILE A 23 5.574 -9.234 -10.065 1.00 0.00 H new ATOM 0 HB ILE A 23 4.781 -10.009 -7.802 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.652 -7.136 -6.928 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.220 -7.963 -7.507 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.748 -8.999 -6.630 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.151 -9.485 -8.294 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.863 -7.771 -7.912 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.403 -8.145 -5.051 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.547 -9.750 -5.806 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.001 -8.910 -5.217 1.00 0.00 H new ATOM 335 N PRO A 24 3.275 -10.457 -10.253 1.00 0.00 N ATOM 336 CA PRO A 24 1.997 -11.008 -10.670 1.00 0.00 C ATOM 337 C PRO A 24 1.086 -11.276 -9.467 1.00 0.00 C ATOM 338 O PRO A 24 1.540 -11.451 -8.330 1.00 0.00 O ATOM 339 CB PRO A 24 2.364 -12.317 -11.376 1.00 0.00 C ATOM 340 CG PRO A 24 3.596 -12.788 -10.605 1.00 0.00 C ATOM 341 CD PRO A 24 4.312 -11.482 -10.287 1.00 0.00 C ATOM 0 HA PRO A 24 1.444 -10.323 -11.313 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.554 -13.044 -11.325 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.584 -12.158 -12.432 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.324 -13.331 -9.700 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.217 -13.455 -11.203 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.832 -11.544 -9.331 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.063 -11.254 -11.044 1.00 0.00 H new ATOM 349 N ARG A 25 -0.224 -11.383 -9.713 1.00 0.00 N ATOM 350 CA ARG A 25 -1.195 -11.671 -8.643 1.00 0.00 C ATOM 351 C ARG A 25 -0.909 -13.035 -8.002 1.00 0.00 C ATOM 352 O ARG A 25 -1.281 -13.253 -6.847 1.00 0.00 O ATOM 353 CB ARG A 25 -2.639 -11.590 -9.161 1.00 0.00 C ATOM 354 CG ARG A 25 -2.919 -12.530 -10.348 1.00 0.00 C ATOM 355 CD ARG A 25 -4.353 -12.425 -10.867 1.00 0.00 C ATOM 356 NE ARG A 25 -5.324 -13.088 -9.982 1.00 0.00 N ATOM 357 CZ ARG A 25 -6.535 -13.514 -10.356 1.00 0.00 C ATOM 358 NH1 ARG A 25 -6.958 -13.360 -11.607 1.00 0.00 N ATOM 359 NH2 ARG A 25 -7.331 -14.097 -9.474 1.00 0.00 N ATOM 0 H ARG A 25 -0.639 -11.276 -10.639 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.082 -10.907 -7.874 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.323 -11.832 -8.347 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.852 -10.564 -9.462 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.227 -12.299 -11.158 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.723 -13.558 -10.044 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.621 -11.374 -10.972 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.410 -12.870 -11.861 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.053 -13.234 -9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.356 -12.911 -12.297 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.885 -13.691 -11.876 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.020 -14.221 -8.510 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.255 -14.422 -9.758 1.00 0.00 H new ATOM 373 N ALA A 26 -0.241 -13.925 -8.743 1.00 0.00 N ATOM 374 CA ALA A 26 0.144 -15.261 -8.326 1.00 0.00 C ATOM 375 C ALA A 26 1.155 -15.232 -7.176 1.00 0.00 C ATOM 376 O ALA A 26 1.313 -16.245 -6.491 1.00 0.00 O ATOM 377 CB ALA A 26 0.751 -15.974 -9.534 1.00 0.00 C ATOM 0 H ALA A 26 0.057 -13.715 -9.696 1.00 0.00 H new ATOM 0 HA ALA A 26 -0.738 -15.788 -7.962 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.050 -16.983 -9.249 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.013 -16.027 -10.334 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.624 -15.422 -9.882 1.00 0.00 H new ATOM 383 N GLU A 27 1.827 -14.100 -6.958 1.00 0.00 N ATOM 384 CA GLU A 27 2.809 -13.910 -5.898 1.00 0.00 C ATOM 385 C GLU A 27 2.209 -13.056 -4.792 1.00 0.00 C ATOM 386 O GLU A 27 2.457 -13.334 -3.628 1.00 0.00 O ATOM 387 CB GLU A 27 4.094 -13.302 -6.479 1.00 0.00 C ATOM 388 CG GLU A 27 4.945 -14.450 -7.022 1.00 0.00 C ATOM 389 CD GLU A 27 6.018 -14.010 -8.007 1.00 0.00 C ATOM 390 OE1 GLU A 27 6.994 -13.330 -7.614 1.00 0.00 O ATOM 391 OE2 GLU A 27 5.935 -14.448 -9.173 1.00 0.00 O ATOM 0 H GLU A 27 1.696 -13.268 -7.533 1.00 0.00 H new ATOM 0 HA GLU A 27 3.078 -14.871 -5.459 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.857 -12.593 -7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.638 -12.752 -5.711 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.421 -14.963 -6.186 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.292 -15.174 -7.510 1.00 0.00 H new ATOM 398 N VAL A 28 1.355 -12.082 -5.119 1.00 0.00 N ATOM 399 CA VAL A 28 0.717 -11.209 -4.136 1.00 0.00 C ATOM 400 C VAL A 28 0.074 -12.015 -3.009 1.00 0.00 C ATOM 401 O VAL A 28 0.334 -11.721 -1.845 1.00 0.00 O ATOM 402 CB VAL A 28 -0.314 -10.313 -4.837 1.00 0.00 C ATOM 403 CG1 VAL A 28 -1.234 -9.596 -3.838 1.00 0.00 C ATOM 404 CG2 VAL A 28 0.394 -9.276 -5.710 1.00 0.00 C ATOM 0 H VAL A 28 1.086 -11.878 -6.082 1.00 0.00 H new ATOM 0 HA VAL A 28 1.481 -10.579 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.933 -10.962 -5.457 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.946 -8.974 -4.381 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.775 -10.335 -3.246 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.635 -8.969 -3.177 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.348 -8.647 -6.202 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.040 -8.657 -5.088 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.995 -9.784 -6.464 1.00 0.00 H new ATOM 414 N ALA A 29 -0.751 -13.014 -3.340 1.00 0.00 N ATOM 415 CA ALA A 29 -1.438 -13.842 -2.351 1.00 0.00 C ATOM 416 C ALA A 29 -0.501 -14.635 -1.436 1.00 0.00 C ATOM 417 O ALA A 29 -0.980 -15.240 -0.481 1.00 0.00 O ATOM 418 CB ALA A 29 -2.356 -14.823 -3.072 1.00 0.00 C ATOM 0 H ALA A 29 -0.960 -13.269 -4.305 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.993 -13.154 -1.713 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -2.872 -15.444 -2.340 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.089 -14.271 -3.660 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.764 -15.457 -3.733 1.00 0.00 H new ATOM 424 N GLU A 30 0.791 -14.698 -1.747 1.00 0.00 N ATOM 425 CA GLU A 30 1.779 -15.413 -0.958 1.00 0.00 C ATOM 426 C GLU A 30 2.474 -14.472 0.032 1.00 0.00 C ATOM 427 O GLU A 30 3.108 -14.931 0.980 1.00 0.00 O ATOM 428 CB GLU A 30 2.853 -15.995 -1.893 1.00 0.00 C ATOM 429 CG GLU A 30 2.309 -16.824 -3.064 1.00 0.00 C ATOM 430 CD GLU A 30 1.493 -18.015 -2.578 1.00 0.00 C ATOM 431 OE1 GLU A 30 1.945 -18.696 -1.633 1.00 0.00 O ATOM 432 OE2 GLU A 30 0.433 -18.296 -3.186 1.00 0.00 O ATOM 0 H GLU A 30 1.184 -14.243 -2.571 1.00 0.00 H new ATOM 0 HA GLU A 30 1.267 -16.204 -0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.449 -15.175 -2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.525 -16.620 -1.306 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.689 -16.193 -3.700 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.138 -17.177 -3.677 1.00 0.00 H new ATOM 439 N LEU A 31 2.392 -13.160 -0.206 1.00 0.00 N ATOM 440 CA LEU A 31 3.009 -12.129 0.612 1.00 0.00 C ATOM 441 C LEU A 31 2.205 -11.908 1.887 1.00 0.00 C ATOM 442 O LEU A 31 2.762 -11.872 2.987 1.00 0.00 O ATOM 443 CB LEU A 31 3.102 -10.815 -0.189 1.00 0.00 C ATOM 444 CG LEU A 31 3.866 -10.925 -1.520 1.00 0.00 C ATOM 445 CD1 LEU A 31 3.806 -9.588 -2.249 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.320 -11.370 -1.337 1.00 0.00 C ATOM 0 H LEU A 31 1.876 -12.781 -1.000 1.00 0.00 H new ATOM 0 HA LEU A 31 4.012 -12.453 0.888 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.093 -10.458 -0.394 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.587 -10.061 0.431 1.00 0.00 H new ATOM 0 HG LEU A 31 3.380 -11.698 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.347 -9.663 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.766 -9.328 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.262 -8.815 -1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.808 -11.429 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.845 -10.648 -0.711 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.343 -12.349 -0.859 1.00 0.00 H new ATOM 458 N LEU A 32 0.895 -11.710 1.734 1.00 0.00 N ATOM 459 CA LEU A 32 -0.006 -11.465 2.856 1.00 0.00 C ATOM 460 C LEU A 32 -0.387 -12.796 3.491 1.00 0.00 C ATOM 461 O LEU A 32 -0.922 -13.672 2.810 1.00 0.00 O ATOM 462 CB LEU A 32 -1.271 -10.697 2.438 1.00 0.00 C ATOM 463 CG LEU A 32 -1.139 -9.802 1.190 1.00 0.00 C ATOM 464 CD1 LEU A 32 -1.798 -10.520 0.010 1.00 0.00 C ATOM 465 CD2 LEU A 32 -1.800 -8.452 1.387 1.00 0.00 C ATOM 0 H LEU A 32 0.430 -11.715 0.826 1.00 0.00 H new ATOM 0 HA LEU A 32 0.520 -10.839 3.576 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.068 -11.419 2.260 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.587 -10.074 3.275 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.080 -9.625 1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.715 -9.902 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -1.299 -11.474 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.850 -10.696 0.233 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.683 -7.854 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.861 -8.593 1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.332 -7.937 2.226 1.00 0.00 H new ATOM 477 N VAL A 33 -0.177 -12.924 4.798 1.00 0.00 N ATOM 478 CA VAL A 33 -0.482 -14.149 5.531 1.00 0.00 C ATOM 479 C VAL A 33 -1.446 -13.866 6.687 1.00 0.00 C ATOM 480 O VAL A 33 -2.134 -14.780 7.139 1.00 0.00 O ATOM 481 CB VAL A 33 0.847 -14.822 5.950 1.00 0.00 C ATOM 482 CG1 VAL A 33 0.636 -16.180 6.624 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.753 -15.065 4.728 1.00 0.00 C ATOM 0 H VAL A 33 0.210 -12.181 5.379 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.012 -14.861 4.898 1.00 0.00 H new ATOM 0 HB VAL A 33 1.309 -14.132 6.656 1.00 0.00 H new ATOM 0 HG11 VAL A 33 1.602 -16.605 6.896 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.031 -16.051 7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 33 0.125 -16.853 5.935 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.680 -15.539 5.051 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.241 -15.715 4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.980 -14.113 4.248 1.00 0.00 H new ATOM 493 N HIS A 34 -1.594 -12.617 7.128 1.00 0.00 N ATOM 494 CA HIS A 34 -2.481 -12.262 8.230 1.00 0.00 C ATOM 495 C HIS A 34 -3.299 -11.025 7.843 1.00 0.00 C ATOM 496 O HIS A 34 -2.883 -10.270 6.959 1.00 0.00 O ATOM 497 CB HIS A 34 -1.594 -12.047 9.459 1.00 0.00 C ATOM 498 CG HIS A 34 -0.601 -13.165 9.706 1.00 0.00 C ATOM 499 ND1 HIS A 34 -0.881 -14.443 10.140 1.00 0.00 N ATOM 500 CD2 HIS A 34 0.742 -13.111 9.435 1.00 0.00 C ATOM 501 CE1 HIS A 34 0.278 -15.121 10.186 1.00 0.00 C ATOM 502 NE2 HIS A 34 1.300 -14.342 9.788 1.00 0.00 N ATOM 0 H HIS A 34 -1.098 -11.821 6.727 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.206 -13.043 8.458 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.049 -11.110 9.342 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.229 -11.938 10.338 1.00 0.00 H new ATOM 0 HD2 HIS A 34 1.274 -12.267 9.022 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.376 -16.150 10.499 1.00 0.00 H new ATOM 0 HE2 HIS A 34 2.286 -14.599 9.751 1.00 0.00 H new ATOM 510 N SER A 35 -4.453 -10.784 8.476 1.00 0.00 N ATOM 511 CA SER A 35 -5.253 -9.616 8.105 1.00 0.00 C ATOM 512 C SER A 35 -4.495 -8.318 8.395 1.00 0.00 C ATOM 513 O SER A 35 -3.681 -8.279 9.320 1.00 0.00 O ATOM 514 CB SER A 35 -6.645 -9.638 8.741 1.00 0.00 C ATOM 515 OG SER A 35 -6.632 -9.397 10.134 1.00 0.00 O ATOM 0 H SER A 35 -4.842 -11.361 9.222 1.00 0.00 H new ATOM 0 HA SER A 35 -5.419 -9.660 7.029 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.269 -8.887 8.256 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.107 -10.607 8.552 1.00 0.00 H new ATOM 0 HG SER A 35 -7.549 -9.422 10.479 1.00 0.00 H new ATOM 521 N GLY A 36 -4.763 -7.244 7.648 1.00 0.00 N ATOM 522 CA GLY A 36 -4.092 -5.970 7.838 1.00 0.00 C ATOM 523 C GLY A 36 -2.756 -5.929 7.105 1.00 0.00 C ATOM 524 O GLY A 36 -2.191 -4.844 6.950 1.00 0.00 O ATOM 0 H GLY A 36 -5.452 -7.240 6.896 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.731 -5.164 7.478 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.930 -5.798 8.902 1.00 0.00 H new ATOM 528 N ASP A 37 -2.227 -7.080 6.680 1.00 0.00 N ATOM 529 CA ASP A 37 -0.980 -7.136 5.937 1.00 0.00 C ATOM 530 C ASP A 37 -1.305 -6.483 4.600 1.00 0.00 C ATOM 531 O ASP A 37 -2.361 -6.779 4.029 1.00 0.00 O ATOM 532 CB ASP A 37 -0.538 -8.582 5.650 1.00 0.00 C ATOM 533 CG ASP A 37 0.039 -9.373 6.824 1.00 0.00 C ATOM 534 OD1 ASP A 37 0.196 -8.832 7.950 1.00 0.00 O ATOM 535 OD2 ASP A 37 0.415 -10.543 6.579 1.00 0.00 O ATOM 0 H ASP A 37 -2.654 -7.991 6.844 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.180 -6.655 6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.397 -9.129 5.262 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.209 -8.558 4.857 1.00 0.00 H new ATOM 540 N PHE A 38 -0.433 -5.616 4.086 1.00 0.00 N ATOM 541 CA PHE A 38 -0.628 -4.946 2.808 1.00 0.00 C ATOM 542 C PHE A 38 0.694 -4.720 2.080 1.00 0.00 C ATOM 543 O PHE A 38 1.757 -4.744 2.700 1.00 0.00 O ATOM 544 CB PHE A 38 -1.374 -3.619 3.017 1.00 0.00 C ATOM 545 CG PHE A 38 -0.507 -2.434 3.394 1.00 0.00 C ATOM 546 CD1 PHE A 38 -0.005 -2.299 4.700 1.00 0.00 C ATOM 547 CD2 PHE A 38 -0.181 -1.472 2.420 1.00 0.00 C ATOM 548 CE1 PHE A 38 0.859 -1.234 5.011 1.00 0.00 C ATOM 549 CE2 PHE A 38 0.641 -0.380 2.746 1.00 0.00 C ATOM 550 CZ PHE A 38 1.178 -0.272 4.040 1.00 0.00 C ATOM 0 H PHE A 38 0.437 -5.359 4.553 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.234 -5.595 2.176 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.911 -3.376 2.100 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.122 -3.762 3.797 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.282 -3.012 5.463 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.565 -1.574 1.416 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.280 -1.156 6.003 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.859 0.374 2.004 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.835 0.549 4.287 1.00 0.00 H new ATOM 560 N LEU A 39 0.629 -4.448 0.775 1.00 0.00 N ATOM 561 CA LEU A 39 1.769 -4.184 -0.107 1.00 0.00 C ATOM 562 C LEU A 39 1.318 -3.366 -1.321 1.00 0.00 C ATOM 563 O LEU A 39 0.114 -3.291 -1.612 1.00 0.00 O ATOM 564 CB LEU A 39 2.489 -5.494 -0.499 1.00 0.00 C ATOM 565 CG LEU A 39 1.885 -6.435 -1.568 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.416 -6.723 -1.317 1.00 0.00 C ATOM 567 CD2 LEU A 39 2.141 -6.013 -3.019 1.00 0.00 C ATOM 0 H LEU A 39 -0.262 -4.404 0.281 1.00 0.00 H new ATOM 0 HA LEU A 39 2.504 -3.586 0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.489 -5.222 -0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.610 -6.079 0.413 1.00 0.00 H new ATOM 0 HG LEU A 39 2.436 -7.367 -1.447 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.038 -7.388 -2.094 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.300 -7.199 -0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.146 -5.789 -1.333 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.680 -6.734 -3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.711 -5.026 -3.192 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.215 -5.978 -3.204 1.00 0.00 H new ATOM 579 N VAL A 40 2.258 -2.764 -2.053 1.00 0.00 N ATOM 580 CA VAL A 40 1.972 -1.968 -3.246 1.00 0.00 C ATOM 581 C VAL A 40 2.643 -2.643 -4.433 1.00 0.00 C ATOM 582 O VAL A 40 3.791 -3.087 -4.352 1.00 0.00 O ATOM 583 CB VAL A 40 2.430 -0.504 -3.096 1.00 0.00 C ATOM 584 CG1 VAL A 40 2.181 0.315 -4.377 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.699 0.182 -1.931 1.00 0.00 C ATOM 0 H VAL A 40 3.252 -2.817 -1.830 1.00 0.00 H new ATOM 0 HA VAL A 40 0.894 -1.924 -3.399 1.00 0.00 H new ATOM 0 HB VAL A 40 3.502 -0.536 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.519 1.340 -4.225 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.732 -0.130 -5.206 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.116 0.315 -4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.039 1.214 -1.845 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.625 0.168 -2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.914 -0.349 -1.004 1.00 0.00 H new ATOM 595 N ARG A 41 1.913 -2.724 -5.544 1.00 0.00 N ATOM 596 CA ARG A 41 2.399 -3.318 -6.776 1.00 0.00 C ATOM 597 C ARG A 41 2.021 -2.412 -7.931 1.00 0.00 C ATOM 598 O ARG A 41 1.111 -1.586 -7.807 1.00 0.00 O ATOM 599 CB ARG A 41 1.849 -4.745 -6.928 1.00 0.00 C ATOM 600 CG ARG A 41 0.343 -4.787 -7.216 1.00 0.00 C ATOM 601 CD ARG A 41 -0.164 -6.198 -6.943 1.00 0.00 C ATOM 602 NE ARG A 41 -1.632 -6.296 -6.928 1.00 0.00 N ATOM 603 CZ ARG A 41 -2.397 -6.853 -7.876 1.00 0.00 C ATOM 604 NH1 ARG A 41 -1.917 -7.116 -9.086 1.00 0.00 N ATOM 605 NH2 ARG A 41 -3.655 -7.170 -7.589 1.00 0.00 N ATOM 0 H ARG A 41 0.957 -2.373 -5.609 1.00 0.00 H new ATOM 0 HA ARG A 41 3.485 -3.408 -6.762 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.381 -5.248 -7.736 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.053 -5.305 -6.015 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.183 -4.068 -6.588 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.148 -4.508 -8.252 1.00 0.00 H new ATOM 0 HD2 ARG A 41 0.230 -6.872 -7.704 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.226 -6.537 -5.983 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.113 -5.902 -6.119 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.947 -6.893 -9.309 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.518 -7.541 -9.792 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -4.027 -6.989 -6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.249 -7.595 -8.301 1.00 0.00 H new ATOM 619 N GLU A 42 2.748 -2.538 -9.031 1.00 0.00 N ATOM 620 CA GLU A 42 2.520 -1.763 -10.239 1.00 0.00 C ATOM 621 C GLU A 42 1.582 -2.581 -11.133 1.00 0.00 C ATOM 622 O GLU A 42 1.668 -3.821 -11.164 1.00 0.00 O ATOM 623 CB GLU A 42 3.877 -1.475 -10.902 1.00 0.00 C ATOM 624 CG GLU A 42 3.752 -0.570 -12.132 1.00 0.00 C ATOM 625 CD GLU A 42 5.094 -0.340 -12.823 1.00 0.00 C ATOM 626 OE1 GLU A 42 5.931 0.430 -12.306 1.00 0.00 O ATOM 627 OE2 GLU A 42 5.312 -0.884 -13.935 1.00 0.00 O ATOM 0 H GLU A 42 3.526 -3.193 -9.109 1.00 0.00 H new ATOM 0 HA GLU A 42 2.052 -0.799 -10.038 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.540 -1.005 -10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.342 -2.417 -11.194 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.054 -1.017 -12.840 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.331 0.390 -11.832 1.00 0.00 H new ATOM 634 N SER A 43 0.659 -1.904 -11.822 1.00 0.00 N ATOM 635 CA SER A 43 -0.273 -2.561 -12.720 1.00 0.00 C ATOM 636 C SER A 43 0.521 -3.175 -13.876 1.00 0.00 C ATOM 637 O SER A 43 1.574 -2.681 -14.283 1.00 0.00 O ATOM 638 CB SER A 43 -1.371 -1.579 -13.148 1.00 0.00 C ATOM 639 OG SER A 43 -2.251 -2.105 -14.126 1.00 0.00 O ATOM 0 H SER A 43 0.543 -0.892 -11.768 1.00 0.00 H new ATOM 0 HA SER A 43 -0.799 -3.379 -12.229 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.948 -1.287 -12.271 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.906 -0.674 -13.539 1.00 0.00 H new ATOM 0 HG SER A 43 -2.926 -1.433 -14.354 1.00 0.00 H new ATOM 645 N GLN A 44 0.031 -4.292 -14.405 1.00 0.00 N ATOM 646 CA GLN A 44 0.671 -4.998 -15.501 1.00 0.00 C ATOM 647 C GLN A 44 0.632 -4.109 -16.752 1.00 0.00 C ATOM 648 O GLN A 44 -0.417 -3.977 -17.382 1.00 0.00 O ATOM 649 CB GLN A 44 -0.020 -6.361 -15.653 1.00 0.00 C ATOM 650 CG GLN A 44 0.633 -7.282 -16.694 1.00 0.00 C ATOM 651 CD GLN A 44 0.072 -7.079 -18.096 1.00 0.00 C ATOM 652 OE1 GLN A 44 -1.141 -7.025 -18.280 1.00 0.00 O ATOM 653 NE2 GLN A 44 0.907 -7.009 -19.111 1.00 0.00 N ATOM 0 H GLN A 44 -0.829 -4.733 -14.080 1.00 0.00 H new ATOM 0 HA GLN A 44 1.726 -5.203 -15.318 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -0.021 -6.866 -14.687 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -1.062 -6.199 -15.929 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.708 -7.102 -16.708 1.00 0.00 H new ATOM 0 HG3 GLN A 44 0.487 -8.320 -16.396 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.913 -7.055 -18.948 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.548 -6.909 -20.061 1.00 0.00 H new ATOM 662 N GLY A 45 1.758 -3.479 -17.092 1.00 0.00 N ATOM 663 CA GLY A 45 1.888 -2.604 -18.251 1.00 0.00 C ATOM 664 C GLY A 45 1.397 -1.170 -18.034 1.00 0.00 C ATOM 665 O GLY A 45 1.331 -0.411 -19.006 1.00 0.00 O ATOM 0 H GLY A 45 2.621 -3.567 -16.556 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.936 -2.573 -18.549 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.334 -3.041 -19.082 1.00 0.00 H new ATOM 669 N LYS A 46 1.002 -0.786 -16.814 1.00 0.00 N ATOM 670 CA LYS A 46 0.524 0.561 -16.500 1.00 0.00 C ATOM 671 C LYS A 46 1.186 1.010 -15.206 1.00 0.00 C ATOM 672 O LYS A 46 1.272 0.228 -14.264 1.00 0.00 O ATOM 673 CB LYS A 46 -1.002 0.591 -16.278 1.00 0.00 C ATOM 674 CG LYS A 46 -1.922 0.603 -17.507 1.00 0.00 C ATOM 675 CD LYS A 46 -2.121 -0.726 -18.250 1.00 0.00 C ATOM 676 CE LYS A 46 -2.671 -1.855 -17.373 1.00 0.00 C ATOM 677 NZ LYS A 46 -3.003 -3.047 -18.183 1.00 0.00 N ATOM 0 H LYS A 46 1.006 -1.412 -16.009 1.00 0.00 H new ATOM 0 HA LYS A 46 0.769 1.213 -17.339 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -1.266 -0.278 -15.675 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.233 1.474 -15.683 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.901 0.963 -17.192 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -1.528 1.331 -18.217 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.802 -0.565 -19.086 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.167 -1.040 -18.673 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.935 -2.121 -16.614 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.561 -1.510 -16.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.852 -3.505 -17.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.184 -2.759 -19.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.207 -3.716 -18.159 1.00 0.00 H new ATOM 691 N GLN A 47 1.556 2.282 -15.115 1.00 0.00 N ATOM 692 CA GLN A 47 2.175 2.885 -13.937 1.00 0.00 C ATOM 693 C GLN A 47 1.122 3.136 -12.833 1.00 0.00 C ATOM 694 O GLN A 47 1.387 3.880 -11.893 1.00 0.00 O ATOM 695 CB GLN A 47 2.865 4.196 -14.367 1.00 0.00 C ATOM 696 CG GLN A 47 4.082 3.956 -15.278 1.00 0.00 C ATOM 697 CD GLN A 47 4.490 5.223 -16.026 1.00 0.00 C ATOM 698 OE1 GLN A 47 4.237 5.361 -17.226 1.00 0.00 O ATOM 699 NE2 GLN A 47 5.129 6.165 -15.353 1.00 0.00 N ATOM 0 H GLN A 47 1.430 2.944 -15.881 1.00 0.00 H new ATOM 0 HA GLN A 47 2.918 2.207 -13.517 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.145 4.827 -14.888 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.183 4.742 -13.479 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.921 3.602 -14.678 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.849 3.169 -15.996 1.00 0.00 H new ATOM 0 HE21 GLN A 47 5.331 6.036 -14.362 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.420 7.021 -15.825 1.00 0.00 H new ATOM 708 N GLU A 48 -0.097 2.590 -12.960 1.00 0.00 N ATOM 709 CA GLU A 48 -1.158 2.779 -11.985 1.00 0.00 C ATOM 710 C GLU A 48 -0.962 1.769 -10.859 1.00 0.00 C ATOM 711 O GLU A 48 -1.111 0.561 -11.076 1.00 0.00 O ATOM 712 CB GLU A 48 -2.535 2.626 -12.644 1.00 0.00 C ATOM 713 CG GLU A 48 -3.664 2.997 -11.666 1.00 0.00 C ATOM 714 CD GLU A 48 -3.968 4.495 -11.630 1.00 0.00 C ATOM 715 OE1 GLU A 48 -3.041 5.305 -11.402 1.00 0.00 O ATOM 716 OE2 GLU A 48 -5.150 4.858 -11.847 1.00 0.00 O ATOM 0 H GLU A 48 -0.366 2.003 -13.750 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.114 3.788 -11.575 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.591 3.263 -13.527 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.667 1.598 -12.983 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.569 2.457 -11.945 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.391 2.665 -10.664 1.00 0.00 H new ATOM 723 N TYR A 49 -0.630 2.238 -9.663 1.00 0.00 N ATOM 724 CA TYR A 49 -0.407 1.369 -8.522 1.00 0.00 C ATOM 725 C TYR A 49 -1.706 0.747 -7.992 1.00 0.00 C ATOM 726 O TYR A 49 -2.828 1.170 -8.288 1.00 0.00 O ATOM 727 CB TYR A 49 0.331 2.156 -7.431 1.00 0.00 C ATOM 728 CG TYR A 49 1.665 2.711 -7.885 1.00 0.00 C ATOM 729 CD1 TYR A 49 2.738 1.836 -8.148 1.00 0.00 C ATOM 730 CD2 TYR A 49 1.820 4.094 -8.092 1.00 0.00 C ATOM 731 CE1 TYR A 49 3.958 2.341 -8.630 1.00 0.00 C ATOM 732 CE2 TYR A 49 3.044 4.609 -8.547 1.00 0.00 C ATOM 733 CZ TYR A 49 4.114 3.732 -8.826 1.00 0.00 C ATOM 734 OH TYR A 49 5.289 4.230 -9.290 1.00 0.00 O ATOM 0 H TYR A 49 -0.509 3.230 -9.460 1.00 0.00 H new ATOM 0 HA TYR A 49 0.210 0.530 -8.843 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -0.301 2.979 -7.097 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.490 1.507 -6.570 1.00 0.00 H new ATOM 0 HD1 TYR A 49 2.623 0.776 -7.979 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.994 4.762 -7.900 1.00 0.00 H new ATOM 0 HE1 TYR A 49 4.774 1.668 -8.850 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.167 5.673 -8.683 1.00 0.00 H new ATOM 0 HH TYR A 49 5.223 5.205 -9.367 1.00 0.00 H new ATOM 744 N VAL A 50 -1.542 -0.276 -7.158 1.00 0.00 N ATOM 745 CA VAL A 50 -2.602 -1.029 -6.502 1.00 0.00 C ATOM 746 C VAL A 50 -2.166 -1.322 -5.073 1.00 0.00 C ATOM 747 O VAL A 50 -1.028 -1.746 -4.847 1.00 0.00 O ATOM 748 CB VAL A 50 -2.871 -2.344 -7.269 1.00 0.00 C ATOM 749 CG1 VAL A 50 -3.695 -3.360 -6.463 1.00 0.00 C ATOM 750 CG2 VAL A 50 -3.603 -2.067 -8.581 1.00 0.00 C ATOM 0 H VAL A 50 -0.614 -0.619 -6.909 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.526 -0.451 -6.493 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.889 -2.777 -7.458 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.848 -4.260 -7.059 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.161 -3.617 -5.548 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.662 -2.925 -6.209 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.781 -3.007 -9.104 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.556 -1.582 -8.370 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.994 -1.414 -9.206 1.00 0.00 H new ATOM 760 N LEU A 51 -3.085 -1.139 -4.125 1.00 0.00 N ATOM 761 CA LEU A 51 -2.902 -1.391 -2.704 1.00 0.00 C ATOM 762 C LEU A 51 -3.585 -2.729 -2.457 1.00 0.00 C ATOM 763 O LEU A 51 -4.809 -2.821 -2.586 1.00 0.00 O ATOM 764 CB LEU A 51 -3.606 -0.287 -1.909 1.00 0.00 C ATOM 765 CG LEU A 51 -3.273 -0.226 -0.414 1.00 0.00 C ATOM 766 CD1 LEU A 51 -1.838 0.266 -0.208 1.00 0.00 C ATOM 767 CD2 LEU A 51 -4.267 0.723 0.263 1.00 0.00 C ATOM 0 H LEU A 51 -4.020 -0.795 -4.342 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.854 -1.406 -2.404 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.355 0.674 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.683 -0.418 -2.017 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.352 -1.220 0.026 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.616 0.304 0.858 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.145 -0.417 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.730 1.262 -0.637 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.047 0.780 1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -4.181 1.716 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.281 0.349 0.122 1.00 0.00 H new ATOM 779 N SER A 52 -2.836 -3.791 -2.176 1.00 0.00 N ATOM 780 CA SER A 52 -3.425 -5.093 -1.938 1.00 0.00 C ATOM 781 C SER A 52 -3.234 -5.367 -0.458 1.00 0.00 C ATOM 782 O SER A 52 -2.116 -5.254 0.040 1.00 0.00 O ATOM 783 CB SER A 52 -2.794 -6.118 -2.893 1.00 0.00 C ATOM 784 OG SER A 52 -3.551 -7.288 -3.030 1.00 0.00 O ATOM 0 H SER A 52 -1.818 -3.769 -2.109 1.00 0.00 H new ATOM 0 HA SER A 52 -4.492 -5.151 -2.153 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.666 -5.660 -3.874 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.799 -6.378 -2.530 1.00 0.00 H new ATOM 0 HG SER A 52 -4.415 -7.072 -3.438 1.00 0.00 H new ATOM 790 N VAL A 53 -4.322 -5.649 0.255 1.00 0.00 N ATOM 791 CA VAL A 53 -4.301 -5.954 1.688 1.00 0.00 C ATOM 792 C VAL A 53 -5.092 -7.251 1.902 1.00 0.00 C ATOM 793 O VAL A 53 -5.859 -7.662 1.023 1.00 0.00 O ATOM 794 CB VAL A 53 -4.770 -4.755 2.563 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.960 -3.436 1.805 1.00 0.00 C ATOM 796 CG2 VAL A 53 -6.016 -5.015 3.353 1.00 0.00 C ATOM 0 H VAL A 53 -5.258 -5.673 -0.150 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.278 -6.118 2.028 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.927 -4.647 3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -5.287 -2.662 2.499 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -4.016 -3.139 1.349 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -5.712 -3.568 1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.271 -4.128 3.933 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.835 -5.252 2.674 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -5.850 -5.855 4.028 1.00 0.00 H new ATOM 806 N LEU A 54 -4.927 -7.929 3.032 1.00 0.00 N ATOM 807 CA LEU A 54 -5.636 -9.162 3.352 1.00 0.00 C ATOM 808 C LEU A 54 -6.604 -8.864 4.488 1.00 0.00 C ATOM 809 O LEU A 54 -6.227 -8.206 5.455 1.00 0.00 O ATOM 810 CB LEU A 54 -4.619 -10.250 3.720 1.00 0.00 C ATOM 811 CG LEU A 54 -5.238 -11.569 4.222 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.227 -12.158 3.210 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.127 -12.590 4.478 1.00 0.00 C ATOM 0 H LEU A 54 -4.284 -7.631 3.766 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.206 -9.531 2.500 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.004 -10.463 2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.954 -9.860 4.491 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.780 -11.349 5.142 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.640 -13.087 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.035 -11.447 3.035 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.711 -12.359 2.271 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.565 -13.523 4.833 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.582 -12.774 3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.442 -12.201 5.231 1.00 0.00 H new ATOM 825 N TRP A 55 -7.849 -9.318 4.375 1.00 0.00 N ATOM 826 CA TRP A 55 -8.868 -9.125 5.393 1.00 0.00 C ATOM 827 C TRP A 55 -9.890 -10.233 5.196 1.00 0.00 C ATOM 828 O TRP A 55 -10.097 -10.637 4.052 1.00 0.00 O ATOM 829 CB TRP A 55 -9.529 -7.771 5.188 1.00 0.00 C ATOM 830 CG TRP A 55 -10.197 -7.213 6.397 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.510 -7.311 6.696 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.599 -6.423 7.464 1.00 0.00 C ATOM 833 NE1 TRP A 55 -11.770 -6.580 7.834 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.631 -6.012 8.355 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.290 -5.991 7.749 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.381 -5.189 9.463 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -8.031 -5.161 8.852 1.00 0.00 C ATOM 838 CH2 TRP A 55 -9.069 -4.760 9.713 1.00 0.00 C ATOM 0 H TRP A 55 -8.179 -9.837 3.561 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.446 -9.155 6.397 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.775 -7.062 4.847 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.267 -7.859 4.391 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.240 -7.873 6.133 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.698 -6.473 8.242 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.475 -6.301 7.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -11.188 -4.890 10.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -7.022 -4.826 9.042 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.857 -4.126 10.561 1.00 0.00 H new ATOM 849 N ASP A 56 -10.515 -10.738 6.259 1.00 0.00 N ATOM 850 CA ASP A 56 -11.530 -11.802 6.218 1.00 0.00 C ATOM 851 C ASP A 56 -11.053 -13.098 5.519 1.00 0.00 C ATOM 852 O ASP A 56 -11.849 -14.013 5.276 1.00 0.00 O ATOM 853 CB ASP A 56 -12.817 -11.209 5.601 1.00 0.00 C ATOM 854 CG ASP A 56 -14.055 -12.093 5.754 1.00 0.00 C ATOM 855 OD1 ASP A 56 -14.471 -12.360 6.910 1.00 0.00 O ATOM 856 OD2 ASP A 56 -14.610 -12.527 4.718 1.00 0.00 O ATOM 0 H ASP A 56 -10.326 -10.410 7.206 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.735 -12.135 7.235 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.016 -10.243 6.064 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.646 -11.025 4.540 1.00 0.00 H new ATOM 861 N GLY A 57 -9.750 -13.219 5.241 1.00 0.00 N ATOM 862 CA GLY A 57 -9.121 -14.347 4.559 1.00 0.00 C ATOM 863 C GLY A 57 -9.250 -14.206 3.040 1.00 0.00 C ATOM 864 O GLY A 57 -9.152 -15.204 2.329 1.00 0.00 O ATOM 0 H GLY A 57 -9.077 -12.497 5.499 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.068 -14.403 4.835 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.586 -15.278 4.883 1.00 0.00 H new ATOM 868 N LEU A 58 -9.479 -12.983 2.546 1.00 0.00 N ATOM 869 CA LEU A 58 -9.656 -12.654 1.143 1.00 0.00 C ATOM 870 C LEU A 58 -8.783 -11.438 0.765 1.00 0.00 C ATOM 871 O LEU A 58 -9.001 -10.336 1.283 1.00 0.00 O ATOM 872 CB LEU A 58 -11.161 -12.381 0.940 1.00 0.00 C ATOM 873 CG LEU A 58 -11.680 -12.433 -0.505 1.00 0.00 C ATOM 874 CD1 LEU A 58 -10.960 -11.475 -1.448 1.00 0.00 C ATOM 875 CD2 LEU A 58 -11.594 -13.833 -1.103 1.00 0.00 C ATOM 0 H LEU A 58 -9.548 -12.164 3.150 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.338 -13.468 0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.722 -13.106 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.387 -11.396 1.348 1.00 0.00 H new ATOM 0 HG LEU A 58 -12.722 -12.125 -0.421 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.379 -11.567 -2.450 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.087 -10.452 -1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.898 -11.720 -1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -11.973 -13.816 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -10.555 -14.164 -1.106 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.192 -14.521 -0.506 1.00 0.00 H new ATOM 887 N PRO A 59 -7.795 -11.572 -0.138 1.00 0.00 N ATOM 888 CA PRO A 59 -6.948 -10.457 -0.552 1.00 0.00 C ATOM 889 C PRO A 59 -7.732 -9.437 -1.406 1.00 0.00 C ATOM 890 O PRO A 59 -8.157 -9.745 -2.525 1.00 0.00 O ATOM 891 CB PRO A 59 -5.781 -11.099 -1.311 1.00 0.00 C ATOM 892 CG PRO A 59 -6.343 -12.412 -1.847 1.00 0.00 C ATOM 893 CD PRO A 59 -7.403 -12.802 -0.818 1.00 0.00 C ATOM 0 HA PRO A 59 -6.585 -9.878 0.297 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.434 -10.457 -2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.929 -11.272 -0.654 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.776 -12.286 -2.839 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.568 -13.174 -1.932 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.261 -13.267 -1.303 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -7.006 -13.528 -0.108 1.00 0.00 H new ATOM 901 N ARG A 60 -8.012 -8.236 -0.885 1.00 0.00 N ATOM 902 CA ARG A 60 -8.724 -7.173 -1.598 1.00 0.00 C ATOM 903 C ARG A 60 -7.695 -6.284 -2.281 1.00 0.00 C ATOM 904 O ARG A 60 -6.543 -6.228 -1.849 1.00 0.00 O ATOM 905 CB ARG A 60 -9.606 -6.371 -0.638 1.00 0.00 C ATOM 906 CG ARG A 60 -10.636 -7.219 0.126 1.00 0.00 C ATOM 907 CD ARG A 60 -11.880 -7.648 -0.678 1.00 0.00 C ATOM 908 NE ARG A 60 -11.588 -8.404 -1.909 1.00 0.00 N ATOM 909 CZ ARG A 60 -12.460 -8.656 -2.896 1.00 0.00 C ATOM 910 NH1 ARG A 60 -13.714 -8.230 -2.808 1.00 0.00 N ATOM 911 NH2 ARG A 60 -12.093 -9.335 -3.976 1.00 0.00 N ATOM 0 H ARG A 60 -7.744 -7.973 0.063 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.386 -7.605 -2.349 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.968 -5.858 0.082 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -10.132 -5.601 -1.202 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.138 -8.116 0.495 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.967 -6.656 0.999 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -12.518 -8.257 -0.037 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -12.450 -6.757 -0.942 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.641 -8.767 -2.020 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -14.019 -7.708 -1.986 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -14.373 -8.425 -3.562 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.135 -9.674 -4.064 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -12.769 -9.518 -4.718 1.00 0.00 H new ATOM 925 N HIS A 61 -8.123 -5.556 -3.313 1.00 0.00 N ATOM 926 CA HIS A 61 -7.248 -4.683 -4.080 1.00 0.00 C ATOM 927 C HIS A 61 -7.870 -3.301 -4.249 1.00 0.00 C ATOM 928 O HIS A 61 -8.726 -3.120 -5.119 1.00 0.00 O ATOM 929 CB HIS A 61 -6.965 -5.301 -5.460 1.00 0.00 C ATOM 930 CG HIS A 61 -6.581 -6.757 -5.480 1.00 0.00 C ATOM 931 ND1 HIS A 61 -5.466 -7.325 -4.924 1.00 0.00 N ATOM 932 CD2 HIS A 61 -7.308 -7.767 -6.042 1.00 0.00 C ATOM 933 CE1 HIS A 61 -5.503 -8.645 -5.150 1.00 0.00 C ATOM 934 NE2 HIS A 61 -6.609 -8.962 -5.844 1.00 0.00 N ATOM 0 H HIS A 61 -9.090 -5.559 -3.638 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.311 -4.574 -3.534 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -7.853 -5.174 -6.079 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -6.164 -4.731 -5.931 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.255 -7.662 -6.550 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.754 -9.351 -4.822 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.884 -9.891 -6.163 1.00 0.00 H new ATOM 942 N PHE A 62 -7.499 -2.338 -3.410 1.00 0.00 N ATOM 943 CA PHE A 62 -8.010 -0.985 -3.506 1.00 0.00 C ATOM 944 C PHE A 62 -7.181 -0.281 -4.594 1.00 0.00 C ATOM 945 O PHE A 62 -6.006 0.014 -4.368 1.00 0.00 O ATOM 946 CB PHE A 62 -7.939 -0.351 -2.108 1.00 0.00 C ATOM 947 CG PHE A 62 -8.699 -1.173 -1.073 1.00 0.00 C ATOM 948 CD1 PHE A 62 -10.086 -0.994 -0.929 1.00 0.00 C ATOM 949 CD2 PHE A 62 -8.055 -2.195 -0.341 1.00 0.00 C ATOM 950 CE1 PHE A 62 -10.826 -1.832 -0.077 1.00 0.00 C ATOM 951 CE2 PHE A 62 -8.792 -3.031 0.511 1.00 0.00 C ATOM 952 CZ PHE A 62 -10.180 -2.867 0.625 1.00 0.00 C ATOM 0 H PHE A 62 -6.836 -2.479 -2.647 1.00 0.00 H new ATOM 0 HA PHE A 62 -9.056 -0.914 -3.806 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.896 -0.258 -1.804 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.351 0.657 -2.145 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.586 -0.208 -1.476 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.988 -2.334 -0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.889 -1.682 0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.291 -3.801 1.079 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.753 -3.535 1.251 1.00 0.00 H new ATOM 962 N ILE A 63 -7.736 -0.121 -5.802 1.00 0.00 N ATOM 963 CA ILE A 63 -7.084 0.539 -6.944 1.00 0.00 C ATOM 964 C ILE A 63 -6.770 1.964 -6.524 1.00 0.00 C ATOM 965 O ILE A 63 -7.709 2.717 -6.269 1.00 0.00 O ATOM 966 CB ILE A 63 -7.984 0.546 -8.210 1.00 0.00 C ATOM 967 CG1 ILE A 63 -8.084 -0.889 -8.763 1.00 0.00 C ATOM 968 CG2 ILE A 63 -7.487 1.523 -9.298 1.00 0.00 C ATOM 969 CD1 ILE A 63 -8.992 -1.051 -9.988 1.00 0.00 C ATOM 0 H ILE A 63 -8.675 -0.455 -6.019 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.180 -0.009 -7.208 1.00 0.00 H new ATOM 0 HB ILE A 63 -8.971 0.904 -7.917 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.083 -1.232 -9.024 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.448 -1.543 -7.971 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.157 1.482 -10.157 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.472 2.537 -8.897 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.481 1.240 -9.609 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -8.997 -2.095 -10.302 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.006 -0.745 -9.732 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.619 -0.429 -10.802 1.00 0.00 H new ATOM 981 N ILE A 64 -5.483 2.292 -6.407 1.00 0.00 N ATOM 982 CA ILE A 64 -5.036 3.622 -6.037 1.00 0.00 C ATOM 983 C ILE A 64 -5.476 4.535 -7.182 1.00 0.00 C ATOM 984 O ILE A 64 -5.281 4.192 -8.350 1.00 0.00 O ATOM 985 CB ILE A 64 -3.506 3.630 -5.801 1.00 0.00 C ATOM 986 CG1 ILE A 64 -3.159 2.775 -4.558 1.00 0.00 C ATOM 987 CG2 ILE A 64 -3.003 5.072 -5.613 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.692 2.364 -4.412 1.00 0.00 C ATOM 0 H ILE A 64 -4.721 1.633 -6.569 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.469 3.969 -5.098 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.012 3.201 -6.673 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.450 3.331 -3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.768 1.871 -4.582 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.926 5.063 -5.448 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.228 5.655 -6.506 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.498 5.521 -4.752 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.569 1.770 -3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.392 1.773 -5.277 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.069 3.256 -4.348 1.00 0.00 H new ATOM 1000 N GLN A 65 -6.107 5.657 -6.845 1.00 0.00 N ATOM 1001 CA GLN A 65 -6.582 6.635 -7.808 1.00 0.00 C ATOM 1002 C GLN A 65 -5.725 7.889 -7.660 1.00 0.00 C ATOM 1003 O GLN A 65 -5.054 8.072 -6.640 1.00 0.00 O ATOM 1004 CB GLN A 65 -8.065 6.958 -7.543 1.00 0.00 C ATOM 1005 CG GLN A 65 -9.007 5.753 -7.664 1.00 0.00 C ATOM 1006 CD GLN A 65 -9.336 5.392 -9.109 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -8.472 5.049 -9.915 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -10.600 5.462 -9.478 1.00 0.00 N ATOM 0 H GLN A 65 -6.304 5.912 -5.877 1.00 0.00 H new ATOM 0 HA GLN A 65 -6.502 6.245 -8.823 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.159 7.379 -6.542 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.388 7.728 -8.244 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.550 4.892 -7.176 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.933 5.968 -7.130 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.312 5.747 -8.806 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.865 5.231 -10.435 1.00 0.00 H new ATOM 1017 N SER A 66 -5.755 8.754 -8.671 1.00 0.00 N ATOM 1018 CA SER A 66 -5.013 10.003 -8.671 1.00 0.00 C ATOM 1019 C SER A 66 -5.973 11.122 -9.062 1.00 0.00 C ATOM 1020 O SER A 66 -6.606 11.067 -10.119 1.00 0.00 O ATOM 1021 CB SER A 66 -3.741 9.913 -9.525 1.00 0.00 C ATOM 1022 OG SER A 66 -3.977 9.782 -10.914 1.00 0.00 O ATOM 0 H SER A 66 -6.301 8.602 -9.519 1.00 0.00 H new ATOM 0 HA SER A 66 -4.632 10.229 -7.675 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.139 10.806 -9.354 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.151 9.061 -9.187 1.00 0.00 H new ATOM 0 HG SER A 66 -3.121 9.733 -11.388 1.00 0.00 H new ATOM 1028 N LEU A 67 -6.133 12.115 -8.191 1.00 0.00 N ATOM 1029 CA LEU A 67 -7.002 13.262 -8.400 1.00 0.00 C ATOM 1030 C LEU A 67 -6.152 14.474 -8.066 1.00 0.00 C ATOM 1031 O LEU A 67 -5.527 14.507 -7.011 1.00 0.00 O ATOM 1032 CB LEU A 67 -8.247 13.138 -7.501 1.00 0.00 C ATOM 1033 CG LEU A 67 -9.472 13.985 -7.906 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -9.230 15.495 -7.942 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -10.050 13.561 -9.261 1.00 0.00 C ATOM 0 H LEU A 67 -5.646 12.141 -7.295 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.378 13.338 -9.420 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -8.548 12.091 -7.477 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.963 13.411 -6.485 1.00 0.00 H new ATOM 0 HG LEU A 67 -10.185 13.784 -7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.148 16.004 -8.237 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.926 15.838 -6.953 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -8.443 15.720 -8.662 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -10.910 14.186 -9.502 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -9.290 13.677 -10.033 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -10.362 12.518 -9.213 1.00 0.00 H new ATOM 1047 N ASP A 68 -6.096 15.460 -8.959 1.00 0.00 N ATOM 1048 CA ASP A 68 -5.315 16.688 -8.780 1.00 0.00 C ATOM 1049 C ASP A 68 -3.819 16.395 -8.579 1.00 0.00 C ATOM 1050 O ASP A 68 -3.096 17.227 -8.040 1.00 0.00 O ATOM 1051 CB ASP A 68 -5.929 17.591 -7.679 1.00 0.00 C ATOM 1052 CG ASP A 68 -6.867 18.660 -8.229 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -6.578 19.247 -9.299 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -7.873 18.974 -7.552 1.00 0.00 O ATOM 0 H ASP A 68 -6.601 15.430 -9.845 1.00 0.00 H new ATOM 0 HA ASP A 68 -5.372 17.262 -9.705 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -6.475 16.968 -6.971 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.124 18.074 -7.124 1.00 0.00 H new ATOM 1059 N ASN A 69 -3.332 15.245 -9.076 1.00 0.00 N ATOM 1060 CA ASN A 69 -1.949 14.752 -8.990 1.00 0.00 C ATOM 1061 C ASN A 69 -1.618 14.229 -7.580 1.00 0.00 C ATOM 1062 O ASN A 69 -0.448 14.040 -7.227 1.00 0.00 O ATOM 1063 CB ASN A 69 -0.936 15.768 -9.549 1.00 0.00 C ATOM 1064 CG ASN A 69 0.485 15.235 -9.657 1.00 0.00 C ATOM 1065 OD1 ASN A 69 0.723 14.078 -9.983 1.00 0.00 O ATOM 1066 ND2 ASN A 69 1.473 16.072 -9.376 1.00 0.00 N ATOM 0 H ASN A 69 -3.934 14.594 -9.581 1.00 0.00 H new ATOM 0 HA ASN A 69 -1.860 13.885 -9.644 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.268 16.090 -10.536 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -0.934 16.651 -8.910 1.00 0.00 H new ATOM 0 HD21 ASN A 69 2.441 15.755 -9.430 1.00 0.00 H new ATOM 0 HD22 ASN A 69 1.266 17.033 -9.106 1.00 0.00 H new ATOM 1073 N LEU A 70 -2.641 14.003 -6.753 1.00 0.00 N ATOM 1074 CA LEU A 70 -2.525 13.487 -5.400 1.00 0.00 C ATOM 1075 C LEU A 70 -3.150 12.100 -5.405 1.00 0.00 C ATOM 1076 O LEU A 70 -4.204 11.894 -6.009 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.254 14.372 -4.375 1.00 0.00 C ATOM 1078 CG LEU A 70 -2.421 15.570 -3.899 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -2.296 16.660 -4.966 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -3.034 16.170 -2.641 1.00 0.00 C ATOM 0 H LEU A 70 -3.608 14.184 -7.024 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.475 13.466 -5.108 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.182 14.737 -4.816 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.529 13.765 -3.512 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.420 15.193 -3.689 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.697 17.483 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.814 16.248 -5.852 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.288 17.026 -5.230 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.434 17.019 -2.313 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.049 16.504 -2.855 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.058 15.417 -1.853 1.00 0.00 H new ATOM 1092 N TYR A 71 -2.479 11.135 -4.786 1.00 0.00 N ATOM 1093 CA TYR A 71 -2.988 9.776 -4.709 1.00 0.00 C ATOM 1094 C TYR A 71 -3.985 9.729 -3.562 1.00 0.00 C ATOM 1095 O TYR A 71 -3.658 10.185 -2.463 1.00 0.00 O ATOM 1096 CB TYR A 71 -1.844 8.791 -4.506 1.00 0.00 C ATOM 1097 CG TYR A 71 -0.877 8.758 -5.671 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.279 8.241 -6.918 1.00 0.00 C ATOM 1099 CD2 TYR A 71 0.445 9.196 -5.491 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.347 8.117 -7.964 1.00 0.00 C ATOM 1101 CE2 TYR A 71 1.393 9.037 -6.514 1.00 0.00 C ATOM 1102 CZ TYR A 71 1.006 8.478 -7.755 1.00 0.00 C ATOM 1103 OH TYR A 71 1.936 8.280 -8.732 1.00 0.00 O ATOM 0 H TYR A 71 -1.577 11.273 -4.329 1.00 0.00 H new ATOM 0 HA TYR A 71 -3.483 9.490 -5.637 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.302 9.055 -3.598 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.254 7.793 -4.353 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.305 7.939 -7.071 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.734 9.658 -4.559 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.664 7.746 -8.928 1.00 0.00 H new ATOM 0 HE2 TYR A 71 2.417 9.341 -6.354 1.00 0.00 H new ATOM 0 HH TYR A 71 2.812 8.586 -8.417 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.194 9.219 -3.812 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.263 9.125 -2.817 1.00 0.00 C ATOM 1115 C ARG A 72 -7.237 8.009 -3.174 1.00 0.00 C ATOM 1116 O ARG A 72 -7.119 7.409 -4.240 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.010 10.480 -2.769 1.00 0.00 C ATOM 1118 CG ARG A 72 -7.940 10.786 -3.967 1.00 0.00 C ATOM 1119 CD ARG A 72 -9.425 10.561 -3.621 1.00 0.00 C ATOM 1120 NE ARG A 72 -10.303 10.704 -4.790 1.00 0.00 N ATOM 1121 CZ ARG A 72 -11.586 11.091 -4.779 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -12.189 11.444 -3.645 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -12.251 11.107 -5.932 1.00 0.00 N ATOM 0 H ARG A 72 -5.461 8.854 -4.726 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.831 8.897 -1.843 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.604 10.512 -1.856 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.270 11.277 -2.696 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -7.795 11.819 -4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.665 10.152 -4.810 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.549 9.564 -3.197 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.728 11.274 -2.854 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.896 10.487 -5.700 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -11.673 11.423 -2.765 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.166 11.736 -3.656 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.783 10.829 -6.795 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.229 11.397 -5.953 1.00 0.00 H new ATOM 1137 N LEU A 73 -8.211 7.772 -2.292 1.00 0.00 N ATOM 1138 CA LEU A 73 -9.272 6.778 -2.486 1.00 0.00 C ATOM 1139 C LEU A 73 -10.627 7.209 -1.910 1.00 0.00 C ATOM 1140 O LEU A 73 -11.669 6.805 -2.427 1.00 0.00 O ATOM 1141 CB LEU A 73 -8.916 5.446 -1.817 1.00 0.00 C ATOM 1142 CG LEU A 73 -8.979 4.208 -2.721 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -10.272 4.031 -3.523 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -7.755 4.189 -3.627 1.00 0.00 C ATOM 0 H LEU A 73 -8.287 8.274 -1.407 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.355 6.676 -3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.908 5.524 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.590 5.292 -0.974 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.980 3.348 -2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.205 3.125 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -11.117 3.950 -2.839 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.416 4.892 -4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -7.794 3.311 -4.272 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.742 5.090 -4.240 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.852 4.152 -3.018 1.00 0.00 H new ATOM 1156 N GLU A 74 -10.641 7.963 -0.807 1.00 0.00 N ATOM 1157 CA GLU A 74 -11.876 8.405 -0.156 1.00 0.00 C ATOM 1158 C GLU A 74 -11.604 9.739 0.540 1.00 0.00 C ATOM 1159 O GLU A 74 -12.208 10.756 0.206 1.00 0.00 O ATOM 1160 CB GLU A 74 -12.337 7.307 0.836 1.00 0.00 C ATOM 1161 CG GLU A 74 -13.758 7.498 1.398 1.00 0.00 C ATOM 1162 CD GLU A 74 -14.836 6.955 0.448 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -14.944 7.445 -0.700 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -15.538 5.973 0.790 1.00 0.00 O ATOM 0 H GLU A 74 -9.793 8.285 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.679 8.558 -0.878 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.287 6.340 0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.634 7.271 1.668 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -13.837 6.993 2.361 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -13.936 8.558 1.579 1.00 0.00 H new ATOM 1171 N GLY A 75 -10.673 9.724 1.496 1.00 0.00 N ATOM 1172 CA GLY A 75 -10.254 10.881 2.264 1.00 0.00 C ATOM 1173 C GLY A 75 -9.275 11.726 1.453 1.00 0.00 C ATOM 1174 O GLY A 75 -9.249 11.679 0.219 1.00 0.00 O ATOM 0 H GLY A 75 -10.177 8.873 1.760 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.123 11.480 2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -9.784 10.559 3.193 1.00 0.00 H new ATOM 1178 N GLU A 76 -8.471 12.515 2.157 1.00 0.00 N ATOM 1179 CA GLU A 76 -7.472 13.391 1.554 1.00 0.00 C ATOM 1180 C GLU A 76 -6.410 12.546 0.842 1.00 0.00 C ATOM 1181 O GLU A 76 -6.301 11.333 1.073 1.00 0.00 O ATOM 1182 CB GLU A 76 -6.853 14.305 2.625 1.00 0.00 C ATOM 1183 CG GLU A 76 -7.752 15.512 2.943 1.00 0.00 C ATOM 1184 CD GLU A 76 -9.138 15.116 3.463 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -9.244 14.861 4.688 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -10.094 15.007 2.660 1.00 0.00 O ATOM 0 H GLU A 76 -8.495 12.565 3.175 1.00 0.00 H new ATOM 0 HA GLU A 76 -7.945 14.033 0.811 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.681 13.731 3.536 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -5.880 14.658 2.282 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.258 16.138 3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -7.868 16.116 2.043 1.00 0.00 H new ATOM 1193 N GLY A 77 -5.631 13.184 -0.026 1.00 0.00 N ATOM 1194 CA GLY A 77 -4.582 12.559 -0.791 1.00 0.00 C ATOM 1195 C GLY A 77 -3.258 13.221 -0.478 1.00 0.00 C ATOM 1196 O GLY A 77 -3.173 14.193 0.282 1.00 0.00 O ATOM 0 H GLY A 77 -5.724 14.182 -0.215 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.532 11.496 -0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.798 12.641 -1.856 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.207 12.701 -1.097 1.00 0.00 N ATOM 1201 CA PHE A 78 -0.861 13.207 -0.908 1.00 0.00 C ATOM 1202 C PHE A 78 -0.102 13.209 -2.230 1.00 0.00 C ATOM 1203 O PHE A 78 -0.464 12.458 -3.139 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.158 12.327 0.123 1.00 0.00 C ATOM 1205 CG PHE A 78 -0.580 12.572 1.561 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -1.760 11.994 2.065 1.00 0.00 C ATOM 1207 CD2 PHE A 78 0.208 13.373 2.407 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.139 12.191 3.402 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.146 13.532 3.755 1.00 0.00 C ATOM 1210 CZ PHE A 78 -1.316 12.940 4.259 1.00 0.00 C ATOM 0 H PHE A 78 -2.267 11.915 -1.745 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.895 14.236 -0.549 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.346 11.282 -0.123 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.917 12.485 0.042 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.380 11.393 1.417 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.087 13.866 2.018 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.061 11.768 3.771 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.486 14.114 4.410 1.00 0.00 H new ATOM 0 HZ PHE A 78 -1.581 13.060 5.299 1.00 0.00 H new ATOM 1220 N PRO A 79 0.986 13.994 -2.336 1.00 0.00 N ATOM 1221 CA PRO A 79 1.791 14.086 -3.550 1.00 0.00 C ATOM 1222 C PRO A 79 2.530 12.790 -3.904 1.00 0.00 C ATOM 1223 O PRO A 79 3.103 12.697 -4.992 1.00 0.00 O ATOM 1224 CB PRO A 79 2.776 15.229 -3.284 1.00 0.00 C ATOM 1225 CG PRO A 79 2.932 15.221 -1.769 1.00 0.00 C ATOM 1226 CD PRO A 79 1.504 14.918 -1.329 1.00 0.00 C ATOM 0 HA PRO A 79 1.151 14.267 -4.414 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.729 15.062 -3.786 1.00 0.00 H new ATOM 0 HB3 PRO A 79 2.390 16.183 -3.642 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.637 14.461 -1.431 1.00 0.00 H new ATOM 0 HG3 PRO A 79 3.287 16.178 -1.386 1.00 0.00 H new ATOM 0 HD2 PRO A 79 1.484 14.471 -0.335 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.904 15.827 -1.282 1.00 0.00 H new ATOM 1234 N SER A 80 2.560 11.798 -3.009 1.00 0.00 N ATOM 1235 CA SER A 80 3.236 10.536 -3.272 1.00 0.00 C ATOM 1236 C SER A 80 2.515 9.398 -2.553 1.00 0.00 C ATOM 1237 O SER A 80 1.722 9.632 -1.639 1.00 0.00 O ATOM 1238 CB SER A 80 4.710 10.641 -2.851 1.00 0.00 C ATOM 1239 OG SER A 80 5.543 9.966 -3.769 1.00 0.00 O ATOM 0 H SER A 80 2.119 11.851 -2.091 1.00 0.00 H new ATOM 0 HA SER A 80 3.210 10.317 -4.339 1.00 0.00 H new ATOM 0 HB2 SER A 80 5.002 11.689 -2.791 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.840 10.217 -1.855 1.00 0.00 H new ATOM 0 HG SER A 80 6.477 10.046 -3.484 1.00 0.00 H new ATOM 1245 N ILE A 81 2.781 8.168 -2.988 1.00 0.00 N ATOM 1246 CA ILE A 81 2.204 6.960 -2.430 1.00 0.00 C ATOM 1247 C ILE A 81 2.669 6.756 -0.978 1.00 0.00 C ATOM 1248 O ILE A 81 1.801 6.544 -0.136 1.00 0.00 O ATOM 1249 CB ILE A 81 2.535 5.728 -3.309 1.00 0.00 C ATOM 1250 CG1 ILE A 81 2.127 5.895 -4.791 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.908 4.446 -2.724 1.00 0.00 C ATOM 1252 CD1 ILE A 81 0.626 5.835 -5.053 1.00 0.00 C ATOM 0 H ILE A 81 3.422 7.986 -3.760 1.00 0.00 H new ATOM 0 HA ILE A 81 1.120 7.073 -2.420 1.00 0.00 H new ATOM 0 HB ILE A 81 3.621 5.639 -3.294 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.506 6.851 -5.152 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.615 5.116 -5.377 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.156 3.597 -3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.299 4.274 -1.721 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.825 4.560 -2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.437 5.962 -6.119 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.238 4.869 -4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.128 6.631 -4.499 1.00 0.00 H new ATOM 1264 N PRO A 82 3.973 6.840 -0.619 1.00 0.00 N ATOM 1265 CA PRO A 82 4.389 6.613 0.765 1.00 0.00 C ATOM 1266 C PRO A 82 3.764 7.614 1.726 1.00 0.00 C ATOM 1267 O PRO A 82 3.462 7.250 2.858 1.00 0.00 O ATOM 1268 CB PRO A 82 5.919 6.659 0.780 1.00 0.00 C ATOM 1269 CG PRO A 82 6.274 7.446 -0.472 1.00 0.00 C ATOM 1270 CD PRO A 82 5.150 7.096 -1.439 1.00 0.00 C ATOM 0 HA PRO A 82 4.038 5.642 1.116 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.295 7.147 1.679 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.349 5.658 0.758 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.316 8.517 -0.275 1.00 0.00 H new ATOM 0 HG3 PRO A 82 7.248 7.156 -0.866 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.968 7.914 -2.137 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.407 6.220 -2.035 1.00 0.00 H new ATOM 1278 N LEU A 83 3.551 8.848 1.264 1.00 0.00 N ATOM 1279 CA LEU A 83 2.946 9.921 2.037 1.00 0.00 C ATOM 1280 C LEU A 83 1.506 9.511 2.402 1.00 0.00 C ATOM 1281 O LEU A 83 1.107 9.645 3.557 1.00 0.00 O ATOM 1282 CB LEU A 83 2.988 11.226 1.216 1.00 0.00 C ATOM 1283 CG LEU A 83 4.247 12.118 1.270 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.367 12.858 2.604 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.547 11.369 0.959 1.00 0.00 C ATOM 0 H LEU A 83 3.803 9.130 0.317 1.00 0.00 H new ATOM 0 HA LEU A 83 3.495 10.097 2.962 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.820 10.961 0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.141 11.837 1.530 1.00 0.00 H new ATOM 0 HG LEU A 83 4.107 12.850 0.474 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.266 13.474 2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.493 13.493 2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.427 12.135 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.388 12.060 1.016 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.687 10.567 1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.492 10.946 -0.044 1.00 0.00 H new ATOM 1297 N LEU A 84 0.715 9.018 1.437 1.00 0.00 N ATOM 1298 CA LEU A 84 -0.665 8.587 1.697 1.00 0.00 C ATOM 1299 C LEU A 84 -0.661 7.346 2.578 1.00 0.00 C ATOM 1300 O LEU A 84 -1.417 7.297 3.545 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.430 8.366 0.376 1.00 0.00 C ATOM 1302 CG LEU A 84 -2.915 7.911 0.428 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -3.105 6.417 0.708 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -3.782 8.764 1.360 1.00 0.00 C ATOM 0 H LEU A 84 1.010 8.908 0.467 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.193 9.374 2.235 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.392 9.300 -0.185 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.879 7.624 -0.202 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.271 8.080 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.169 6.183 0.728 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.620 5.835 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.661 6.168 1.672 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.806 8.390 1.348 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.388 8.709 2.375 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.770 9.800 1.021 1.00 0.00 H new ATOM 1316 N ILE A 85 0.186 6.358 2.276 1.00 0.00 N ATOM 1317 CA ILE A 85 0.264 5.130 3.058 1.00 0.00 C ATOM 1318 C ILE A 85 0.523 5.484 4.521 1.00 0.00 C ATOM 1319 O ILE A 85 -0.210 5.016 5.388 1.00 0.00 O ATOM 1320 CB ILE A 85 1.311 4.155 2.447 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.678 3.163 1.446 1.00 0.00 C ATOM 1322 CG2 ILE A 85 2.052 3.292 3.490 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -0.211 3.788 0.373 1.00 0.00 C ATOM 0 H ILE A 85 0.831 6.390 1.487 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.684 4.593 3.023 1.00 0.00 H new ATOM 0 HB ILE A 85 2.015 4.826 1.955 1.00 0.00 H new ATOM 0 HG12 ILE A 85 1.478 2.611 0.953 1.00 0.00 H new ATOM 0 HG13 ILE A 85 0.087 2.437 2.005 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.764 2.640 2.983 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.585 3.940 4.186 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.331 2.686 4.039 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.604 3.005 -0.276 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.039 4.315 0.848 1.00 0.00 H new ATOM 0 HD13 ILE A 85 0.374 4.491 -0.220 1.00 0.00 H new ATOM 1335 N ASP A 86 1.518 6.333 4.790 1.00 0.00 N ATOM 1336 CA ASP A 86 1.888 6.751 6.138 1.00 0.00 C ATOM 1337 C ASP A 86 0.698 7.357 6.886 1.00 0.00 C ATOM 1338 O ASP A 86 0.560 7.128 8.090 1.00 0.00 O ATOM 1339 CB ASP A 86 3.081 7.713 6.069 1.00 0.00 C ATOM 1340 CG ASP A 86 3.731 7.936 7.431 1.00 0.00 C ATOM 1341 OD1 ASP A 86 4.476 7.041 7.896 1.00 0.00 O ATOM 1342 OD2 ASP A 86 3.568 9.030 8.014 1.00 0.00 O ATOM 0 H ASP A 86 2.096 6.754 4.063 1.00 0.00 H new ATOM 0 HA ASP A 86 2.190 5.874 6.710 1.00 0.00 H new ATOM 0 HB2 ASP A 86 3.823 7.317 5.376 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.749 8.670 5.667 1.00 0.00 H new ATOM 1347 N HIS A 87 -0.177 8.088 6.180 1.00 0.00 N ATOM 1348 CA HIS A 87 -1.362 8.700 6.768 1.00 0.00 C ATOM 1349 C HIS A 87 -2.419 7.636 7.099 1.00 0.00 C ATOM 1350 O HIS A 87 -3.009 7.670 8.183 1.00 0.00 O ATOM 1351 CB HIS A 87 -1.888 9.764 5.793 1.00 0.00 C ATOM 1352 CG HIS A 87 -3.278 10.281 6.069 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -3.604 11.361 6.853 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.428 9.837 5.479 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -4.926 11.572 6.730 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -5.475 10.668 5.897 1.00 0.00 N ATOM 0 H HIS A 87 -0.076 8.268 5.181 1.00 0.00 H new ATOM 0 HA HIS A 87 -1.112 9.182 7.713 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -1.199 10.609 5.801 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.870 9.347 4.786 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -2.959 11.905 7.426 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.514 8.994 4.809 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.472 12.358 7.230 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.687 6.684 6.193 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.685 5.627 6.412 1.00 0.00 C ATOM 1366 C LEU A 88 -3.296 4.782 7.601 1.00 0.00 C ATOM 1367 O LEU A 88 -4.121 4.458 8.452 1.00 0.00 O ATOM 1368 CB LEU A 88 -3.828 4.710 5.177 1.00 0.00 C ATOM 1369 CG LEU A 88 -5.031 5.136 4.328 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.816 6.553 3.863 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.292 4.211 3.133 1.00 0.00 C ATOM 0 H LEU A 88 -2.218 6.625 5.289 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.641 6.119 6.594 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -2.919 4.753 4.577 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.950 3.675 5.497 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.920 5.066 4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.665 6.870 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.722 7.210 4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.905 6.606 3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.157 4.571 2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.418 4.203 2.481 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.486 3.200 3.491 1.00 0.00 H new ATOM 1383 N LEU A 89 -2.025 4.419 7.646 1.00 0.00 N ATOM 1384 CA LEU A 89 -1.449 3.610 8.701 1.00 0.00 C ATOM 1385 C LEU A 89 -1.521 4.327 10.049 1.00 0.00 C ATOM 1386 O LEU A 89 -1.759 3.663 11.056 1.00 0.00 O ATOM 1387 CB LEU A 89 -0.017 3.273 8.277 1.00 0.00 C ATOM 1388 CG LEU A 89 0.132 1.902 7.585 1.00 0.00 C ATOM 1389 CD1 LEU A 89 -0.130 0.711 8.509 1.00 0.00 C ATOM 1390 CD2 LEU A 89 -0.751 1.790 6.351 1.00 0.00 C ATOM 0 H LEU A 89 -1.350 4.687 6.930 1.00 0.00 H new ATOM 0 HA LEU A 89 -2.010 2.686 8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.342 4.049 7.601 1.00 0.00 H new ATOM 0 HB3 LEU A 89 0.625 3.295 9.157 1.00 0.00 H new ATOM 0 HG LEU A 89 1.179 1.857 7.287 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -0.006 -0.217 7.951 1.00 0.00 H new ATOM 0 HD12 LEU A 89 0.576 0.732 9.339 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.147 0.768 8.897 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -0.615 0.810 5.894 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -1.795 1.915 6.638 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.476 2.565 5.635 1.00 0.00 H new ATOM 1402 N SER A 90 -1.381 5.654 10.091 1.00 0.00 N ATOM 1403 CA SER A 90 -1.453 6.413 11.335 1.00 0.00 C ATOM 1404 C SER A 90 -2.908 6.473 11.818 1.00 0.00 C ATOM 1405 O SER A 90 -3.230 6.032 12.921 1.00 0.00 O ATOM 1406 CB SER A 90 -0.874 7.819 11.102 1.00 0.00 C ATOM 1407 OG SER A 90 -0.849 8.577 12.295 1.00 0.00 O ATOM 0 H SER A 90 -1.215 6.228 9.265 1.00 0.00 H new ATOM 0 HA SER A 90 -0.864 5.925 12.112 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.137 7.735 10.703 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.471 8.339 10.353 1.00 0.00 H new ATOM 0 HG SER A 90 -0.474 9.464 12.111 1.00 0.00 H new ATOM 1413 N THR A 91 -3.795 6.997 10.970 1.00 0.00 N ATOM 1414 CA THR A 91 -5.219 7.171 11.246 1.00 0.00 C ATOM 1415 C THR A 91 -5.991 5.862 11.447 1.00 0.00 C ATOM 1416 O THR A 91 -7.029 5.857 12.115 1.00 0.00 O ATOM 1417 CB THR A 91 -5.842 7.958 10.077 1.00 0.00 C ATOM 1418 OG1 THR A 91 -5.580 7.308 8.846 1.00 0.00 O ATOM 1419 CG2 THR A 91 -5.301 9.382 9.943 1.00 0.00 C ATOM 0 H THR A 91 -3.531 7.323 10.040 1.00 0.00 H new ATOM 0 HA THR A 91 -5.296 7.707 12.192 1.00 0.00 H new ATOM 0 HB THR A 91 -6.908 8.001 10.301 1.00 0.00 H new ATOM 0 HG1 THR A 91 -4.722 7.618 8.489 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.784 9.877 9.100 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.509 9.938 10.857 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.224 9.348 9.776 1.00 0.00 H new ATOM 1427 N GLN A 92 -5.485 4.744 10.907 1.00 0.00 N ATOM 1428 CA GLN A 92 -6.121 3.426 10.969 1.00 0.00 C ATOM 1429 C GLN A 92 -7.527 3.499 10.348 1.00 0.00 C ATOM 1430 O GLN A 92 -8.440 2.781 10.749 1.00 0.00 O ATOM 1431 CB GLN A 92 -6.064 2.833 12.396 1.00 0.00 C ATOM 1432 CG GLN A 92 -4.666 2.360 12.806 1.00 0.00 C ATOM 1433 CD GLN A 92 -4.217 1.173 11.965 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -4.609 0.033 12.201 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -3.387 1.407 10.968 1.00 0.00 N ATOM 0 H GLN A 92 -4.599 4.734 10.402 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.561 2.712 10.365 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.408 3.584 13.107 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.756 1.993 12.460 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.955 3.178 12.693 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.668 2.082 13.860 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -3.069 2.358 10.782 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -3.063 0.637 10.383 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.734 4.413 9.392 1.00 0.00 N ATOM 1445 CA GLN A 93 -9.021 4.569 8.730 1.00 0.00 C ATOM 1446 C GLN A 93 -9.287 3.394 7.795 1.00 0.00 C ATOM 1447 O GLN A 93 -8.368 2.951 7.103 1.00 0.00 O ATOM 1448 CB GLN A 93 -9.093 5.870 7.916 1.00 0.00 C ATOM 1449 CG GLN A 93 -8.029 6.032 6.821 1.00 0.00 C ATOM 1450 CD GLN A 93 -8.055 7.440 6.237 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -8.855 7.744 5.360 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -7.177 8.314 6.694 1.00 0.00 N ATOM 0 H GLN A 93 -7.015 5.058 9.062 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.777 4.604 9.515 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -10.077 5.932 7.452 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.011 6.712 8.604 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -7.042 5.824 7.235 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.203 5.303 6.030 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.519 8.042 7.424 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.157 9.261 6.317 1.00 0.00 H new ATOM 1461 N PRO A 94 -10.524 2.898 7.722 1.00 0.00 N ATOM 1462 CA PRO A 94 -10.845 1.811 6.824 1.00 0.00 C ATOM 1463 C PRO A 94 -10.947 2.382 5.417 1.00 0.00 C ATOM 1464 O PRO A 94 -11.486 3.470 5.196 1.00 0.00 O ATOM 1465 CB PRO A 94 -12.180 1.264 7.321 1.00 0.00 C ATOM 1466 CG PRO A 94 -12.846 2.516 7.895 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.693 3.319 8.477 1.00 0.00 C ATOM 0 HA PRO A 94 -10.100 1.016 6.801 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.766 0.824 6.514 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.047 0.490 8.077 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.372 3.077 7.122 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.580 2.262 8.660 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.866 4.390 8.373 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.569 3.118 9.541 1.00 0.00 H new ATOM 1475 N LEU A 95 -10.474 1.599 4.453 1.00 0.00 N ATOM 1476 CA LEU A 95 -10.463 1.957 3.058 1.00 0.00 C ATOM 1477 C LEU A 95 -11.834 2.345 2.508 1.00 0.00 C ATOM 1478 O LEU A 95 -11.937 3.332 1.787 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.905 0.790 2.241 1.00 0.00 C ATOM 1480 CG LEU A 95 -8.461 0.364 2.542 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -7.445 1.490 2.667 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -8.255 -0.658 3.633 1.00 0.00 C ATOM 0 H LEU A 95 -10.080 0.676 4.636 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.832 2.841 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.553 -0.073 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.969 1.053 1.185 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.252 -0.158 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.462 1.071 2.880 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.406 2.050 1.733 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.739 2.157 3.478 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.190 -0.867 3.740 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -8.645 -0.269 4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -8.781 -1.577 3.374 1.00 0.00 H new ATOM 1494 N THR A 96 -12.865 1.533 2.756 1.00 0.00 N ATOM 1495 CA THR A 96 -14.237 1.753 2.289 1.00 0.00 C ATOM 1496 C THR A 96 -15.187 1.043 3.263 1.00 0.00 C ATOM 1497 O THR A 96 -14.849 -0.037 3.757 1.00 0.00 O ATOM 1498 CB THR A 96 -14.420 1.244 0.840 1.00 0.00 C ATOM 1499 OG1 THR A 96 -13.547 0.164 0.547 1.00 0.00 O ATOM 1500 CG2 THR A 96 -14.116 2.296 -0.226 1.00 0.00 C ATOM 0 H THR A 96 -12.765 0.678 3.304 1.00 0.00 H new ATOM 0 HA THR A 96 -14.462 2.819 2.270 1.00 0.00 H new ATOM 0 HB THR A 96 -15.470 0.955 0.803 1.00 0.00 H new ATOM 0 HG1 THR A 96 -13.692 -0.132 -0.376 1.00 0.00 H new ATOM 0 HG21 THR A 96 -14.267 1.865 -1.216 1.00 0.00 H new ATOM 0 HG22 THR A 96 -14.782 3.149 -0.096 1.00 0.00 H new ATOM 0 HG23 THR A 96 -13.082 2.626 -0.127 1.00 0.00 H new ATOM 1508 N LYS A 97 -16.383 1.599 3.494 1.00 0.00 N ATOM 1509 CA LYS A 97 -17.379 1.050 4.421 1.00 0.00 C ATOM 1510 C LYS A 97 -17.786 -0.385 4.096 1.00 0.00 C ATOM 1511 O LYS A 97 -17.802 -1.186 5.029 1.00 0.00 O ATOM 1512 CB LYS A 97 -18.566 2.028 4.565 1.00 0.00 C ATOM 1513 CG LYS A 97 -19.182 2.159 5.969 1.00 0.00 C ATOM 1514 CD LYS A 97 -20.231 1.089 6.297 1.00 0.00 C ATOM 1515 CE LYS A 97 -20.918 1.434 7.622 1.00 0.00 C ATOM 1516 NZ LYS A 97 -21.931 0.431 8.012 1.00 0.00 N ATOM 0 H LYS A 97 -16.690 2.456 3.035 1.00 0.00 H new ATOM 0 HA LYS A 97 -16.914 0.962 5.403 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -18.235 3.016 4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -19.351 1.716 3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -18.384 2.109 6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.642 3.143 6.062 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -20.969 1.031 5.497 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -19.758 0.110 6.365 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -20.167 1.511 8.408 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -21.393 2.412 7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -22.366 0.710 8.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -22.664 0.374 7.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -21.476 -0.498 8.120 1.00 0.00 H new ATOM 1530 N LYS A 98 -18.032 -0.733 2.822 1.00 0.00 N ATOM 1531 CA LYS A 98 -18.436 -2.083 2.383 1.00 0.00 C ATOM 1532 C LYS A 98 -17.611 -3.190 3.042 1.00 0.00 C ATOM 1533 O LYS A 98 -18.088 -3.863 3.952 1.00 0.00 O ATOM 1534 CB LYS A 98 -18.378 -2.235 0.848 1.00 0.00 C ATOM 1535 CG LYS A 98 -19.437 -1.491 0.036 1.00 0.00 C ATOM 1536 CD LYS A 98 -20.856 -2.024 0.245 1.00 0.00 C ATOM 1537 CE LYS A 98 -21.881 -1.178 -0.510 1.00 0.00 C ATOM 1538 NZ LYS A 98 -21.634 -1.152 -1.967 1.00 0.00 N ATOM 0 H LYS A 98 -17.954 -0.071 2.050 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.471 -2.196 2.707 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -17.397 -1.901 0.512 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -18.452 -3.296 0.610 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -19.412 -0.435 0.303 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -19.185 -1.558 -1.022 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -20.913 -3.058 -0.095 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -21.094 -2.025 1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -22.880 -1.571 -0.322 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -21.861 -0.159 -0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -22.444 -0.711 -2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -20.773 -0.602 -2.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -21.511 -2.124 -2.316 1.00 0.00 H new ATOM 1552 N SER A 99 -16.377 -3.382 2.585 1.00 0.00 N ATOM 1553 CA SER A 99 -15.482 -4.408 3.094 1.00 0.00 C ATOM 1554 C SER A 99 -14.956 -4.032 4.495 1.00 0.00 C ATOM 1555 O SER A 99 -14.637 -4.921 5.287 1.00 0.00 O ATOM 1556 CB SER A 99 -14.400 -4.565 2.016 1.00 0.00 C ATOM 1557 OG SER A 99 -13.726 -5.809 1.917 1.00 0.00 O ATOM 0 H SER A 99 -15.968 -2.819 1.839 1.00 0.00 H new ATOM 0 HA SER A 99 -15.970 -5.369 3.258 1.00 0.00 H new ATOM 0 HB2 SER A 99 -14.861 -4.358 1.050 1.00 0.00 H new ATOM 0 HB3 SER A 99 -13.649 -3.792 2.183 1.00 0.00 H new ATOM 0 HG SER A 99 -13.069 -5.768 1.191 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.855 -2.739 4.831 1.00 0.00 N ATOM 1564 CA GLY A 100 -14.381 -2.266 6.130 1.00 0.00 C ATOM 1565 C GLY A 100 -12.986 -2.778 6.489 1.00 0.00 C ATOM 1566 O GLY A 100 -12.739 -3.138 7.636 1.00 0.00 O ATOM 0 H GLY A 100 -15.106 -1.983 4.194 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -14.371 -1.176 6.130 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -15.085 -2.579 6.901 1.00 0.00 H new ATOM 1570 N VAL A 101 -12.108 -2.901 5.497 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.736 -3.367 5.647 1.00 0.00 C ATOM 1572 C VAL A 101 -9.860 -2.216 6.145 1.00 0.00 C ATOM 1573 O VAL A 101 -10.199 -1.056 5.902 1.00 0.00 O ATOM 1574 CB VAL A 101 -10.299 -3.861 4.259 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.839 -4.294 4.186 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -11.205 -4.999 3.777 1.00 0.00 C ATOM 0 H VAL A 101 -12.343 -2.670 4.532 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.645 -4.172 6.377 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.399 -3.000 3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.609 -4.629 3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.196 -3.452 4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.666 -5.111 4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.877 -5.333 2.793 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -11.149 -5.831 4.479 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -12.234 -4.644 3.716 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.722 -2.527 6.776 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.748 -1.579 7.320 1.00 0.00 C ATOM 1588 C VAL A 102 -6.336 -2.155 7.078 1.00 0.00 C ATOM 1589 O VAL A 102 -6.207 -3.292 6.619 1.00 0.00 O ATOM 1590 CB VAL A 102 -8.038 -1.333 8.827 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -7.403 -0.022 9.321 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -9.538 -1.264 9.168 1.00 0.00 C ATOM 0 H VAL A 102 -8.443 -3.496 6.928 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.818 -0.611 6.824 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.600 -2.197 9.326 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -7.628 0.115 10.379 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -6.323 -0.066 9.182 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -7.808 0.815 8.753 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.660 -1.090 10.237 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -10.000 -0.448 8.612 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -10.017 -2.205 8.896 1.00 0.00 H new ATOM 1602 N LEU A 103 -5.274 -1.380 7.331 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.869 -1.763 7.152 1.00 0.00 C ATOM 1604 C LEU A 103 -3.239 -1.775 8.535 1.00 0.00 C ATOM 1605 O LEU A 103 -3.420 -0.824 9.287 1.00 0.00 O ATOM 1606 CB LEU A 103 -3.123 -0.729 6.286 1.00 0.00 C ATOM 1607 CG LEU A 103 -3.386 -0.805 4.771 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.857 -0.709 4.372 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -2.674 0.343 4.055 1.00 0.00 C ATOM 0 H LEU A 103 -5.376 -0.427 7.681 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.807 -2.733 6.659 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.393 0.269 6.632 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -2.053 -0.846 6.456 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.014 -1.788 4.481 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.945 -0.772 3.287 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.412 -1.528 4.829 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.266 0.242 4.715 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.867 0.279 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -3.046 1.295 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.601 0.274 4.235 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.486 -2.820 8.860 1.00 0.00 N ATOM 1622 CA HIS A 104 -1.821 -2.978 10.145 1.00 0.00 C ATOM 1623 C HIS A 104 -0.296 -3.033 9.962 1.00 0.00 C ATOM 1624 O HIS A 104 0.422 -2.457 10.779 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.385 -4.204 10.883 1.00 0.00 C ATOM 1626 CG HIS A 104 -3.823 -4.090 11.352 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -4.240 -4.252 12.655 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -4.950 -3.924 10.586 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -5.579 -4.172 12.679 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -6.057 -3.942 11.443 1.00 0.00 N ATOM 0 H HIS A 104 -2.318 -3.598 8.222 1.00 0.00 H new ATOM 0 HA HIS A 104 -2.023 -2.109 10.771 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.305 -5.069 10.225 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.755 -4.404 11.750 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -3.635 -4.406 13.462 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.978 -3.801 9.513 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -6.187 -4.277 13.565 1.00 0.00 H new ATOM 1638 N ARG A 105 0.241 -3.666 8.907 1.00 0.00 N ATOM 1639 CA ARG A 105 1.694 -3.733 8.678 1.00 0.00 C ATOM 1640 C ARG A 105 2.003 -3.938 7.204 1.00 0.00 C ATOM 1641 O ARG A 105 1.304 -4.667 6.497 1.00 0.00 O ATOM 1642 CB ARG A 105 2.368 -4.847 9.513 1.00 0.00 C ATOM 1643 CG ARG A 105 3.895 -4.895 9.316 1.00 0.00 C ATOM 1644 CD ARG A 105 4.660 -5.571 10.456 1.00 0.00 C ATOM 1645 NE ARG A 105 4.802 -4.677 11.616 1.00 0.00 N ATOM 1646 CZ ARG A 105 5.512 -4.933 12.718 1.00 0.00 C ATOM 1647 NH1 ARG A 105 6.141 -6.096 12.866 1.00 0.00 N ATOM 1648 NH2 ARG A 105 5.585 -4.018 13.679 1.00 0.00 N ATOM 0 H ARG A 105 -0.313 -4.142 8.195 1.00 0.00 H new ATOM 0 HA ARG A 105 2.105 -2.777 9.002 1.00 0.00 H new ATOM 0 HB2 ARG A 105 2.147 -4.689 10.568 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.940 -5.811 9.238 1.00 0.00 H new ATOM 0 HG2 ARG A 105 4.113 -5.422 8.387 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.266 -3.877 9.200 1.00 0.00 H new ATOM 0 HD2 ARG A 105 4.138 -6.479 10.757 1.00 0.00 H new ATOM 0 HD3 ARG A 105 5.647 -5.872 10.105 1.00 0.00 H new ATOM 0 HE ARG A 105 4.315 -3.782 11.575 1.00 0.00 H new ATOM 0 HH11 ARG A 105 6.084 -6.803 12.133 1.00 0.00 H new ATOM 0 HH12 ARG A 105 6.680 -6.280 13.712 1.00 0.00 H new ATOM 0 HH21 ARG A 105 5.101 -3.127 13.572 1.00 0.00 H new ATOM 0 HH22 ARG A 105 6.125 -4.207 14.523 1.00 0.00 H new ATOM 1662 N ALA A 106 3.042 -3.250 6.743 1.00 0.00 N ATOM 1663 CA ALA A 106 3.534 -3.308 5.385 1.00 0.00 C ATOM 1664 C ALA A 106 4.371 -4.581 5.243 1.00 0.00 C ATOM 1665 O ALA A 106 5.208 -4.848 6.108 1.00 0.00 O ATOM 1666 CB ALA A 106 4.383 -2.058 5.135 1.00 0.00 C ATOM 0 H ALA A 106 3.580 -2.615 7.333 1.00 0.00 H new ATOM 0 HA ALA A 106 2.723 -3.334 4.657 1.00 0.00 H new ATOM 0 HB1 ALA A 106 4.767 -2.077 4.115 1.00 0.00 H new ATOM 0 HB2 ALA A 106 3.770 -1.168 5.275 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.217 -2.038 5.837 1.00 0.00 H new ATOM 1672 N VAL A 107 4.153 -5.385 4.204 1.00 0.00 N ATOM 1673 CA VAL A 107 4.899 -6.604 3.993 1.00 0.00 C ATOM 1674 C VAL A 107 6.204 -6.227 3.275 1.00 0.00 C ATOM 1675 O VAL A 107 6.135 -5.527 2.266 1.00 0.00 O ATOM 1676 CB VAL A 107 4.040 -7.566 3.152 1.00 0.00 C ATOM 1677 CG1 VAL A 107 4.819 -8.847 2.892 1.00 0.00 C ATOM 1678 CG2 VAL A 107 2.719 -7.953 3.838 1.00 0.00 C ATOM 0 H VAL A 107 3.450 -5.201 3.488 1.00 0.00 H new ATOM 0 HA VAL A 107 5.142 -7.105 4.930 1.00 0.00 H new ATOM 0 HB VAL A 107 3.803 -7.039 2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.211 -9.528 2.297 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.736 -8.612 2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.069 -9.320 3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.160 -8.632 3.194 1.00 0.00 H new ATOM 0 HG22 VAL A 107 2.932 -8.445 4.787 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.127 -7.056 4.020 1.00 0.00 H new ATOM 1688 N PRO A 108 7.385 -6.628 3.775 1.00 0.00 N ATOM 1689 CA PRO A 108 8.646 -6.326 3.120 1.00 0.00 C ATOM 1690 C PRO A 108 8.936 -7.366 2.031 1.00 0.00 C ATOM 1691 O PRO A 108 8.697 -8.559 2.227 1.00 0.00 O ATOM 1692 CB PRO A 108 9.691 -6.439 4.228 1.00 0.00 C ATOM 1693 CG PRO A 108 9.127 -7.533 5.137 1.00 0.00 C ATOM 1694 CD PRO A 108 7.610 -7.431 4.968 1.00 0.00 C ATOM 0 HA PRO A 108 8.641 -5.346 2.644 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.669 -6.711 3.831 1.00 0.00 H new ATOM 0 HB3 PRO A 108 9.814 -5.497 4.762 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.493 -8.518 4.846 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.422 -7.377 6.175 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.163 -8.420 4.861 1.00 0.00 H new ATOM 0 HD3 PRO A 108 7.152 -6.967 5.841 1.00 0.00 H new ATOM 1702 N SER A 109 9.509 -6.955 0.901 1.00 0.00 N ATOM 1703 CA SER A 109 9.851 -7.874 -0.177 1.00 0.00 C ATOM 1704 C SER A 109 11.105 -8.669 0.190 1.00 0.00 C ATOM 1705 O SER A 109 11.168 -9.871 -0.081 1.00 0.00 O ATOM 1706 CB SER A 109 10.048 -7.089 -1.474 1.00 0.00 C ATOM 1707 OG SER A 109 11.021 -6.088 -1.278 1.00 0.00 O ATOM 0 H SER A 109 9.747 -5.982 0.710 1.00 0.00 H new ATOM 0 HA SER A 109 9.038 -8.585 -0.326 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.359 -7.761 -2.274 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.105 -6.638 -1.785 1.00 0.00 H new ATOM 0 HG SER A 109 11.147 -5.587 -2.111 1.00 0.00 H new