USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 755 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 43 TYR OH : rot 18:sc= 0.911 USER MOD Set 1.2: A 65 GLN : amide:sc= -0.589 K(o=0.32,f=0.85) USER MOD Set 2.1: A 10 TYR OH : rot 180:sc= -0.0785 USER MOD Set 2.2: A 14 GLN : amide:sc= -0.0789 K(o=-1.2,f=0.93) USER MOD Set 2.3: A 45 HIS : no HD1:sc= -1.08 K(o=-1.2,f=0.93) USER MOD Single : A 1 GLU N :NH3+ 170:sc= -0.0783 (180deg=-0.239) USER MOD Single : A 8 THR OG1 : rot 162:sc= 0.381 USER MOD Single : A 16 HIS : no HD1:sc= -1.08 K(o=-1.1,f=-0.0088) USER MOD Single : A 18 LYS NZ :NH3+ 172:sc= 0.854 (180deg=0.699) USER MOD Single : A 19 HIS : no HD1:sc= -0.25 K(o=-0.25,f=-0.9) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -82:sc= 1.26 USER MOD Single : A 39 TYR OH : rot 147:sc= 0.0349 USER MOD Single : A 42 THR OG1 : rot 153:sc= -1.43 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= -0.792 (180deg=-2.42!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 65:sc= 0.938 USER MOD Single : A 63 TYR OH : rot -145:sc= 0.126 USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.563 USER MOD Single : A 76 GLN : amide:sc= -1.29 K(o=-1.3,f=-5.7!) USER MOD Single : A 77 LYS NZ :NH3+ 137:sc= 2.27 (180deg=-1.11) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.387 X(o=-0.39,f=-0.0072) USER MOD Single : A 86 LYS NZ :NH3+ 160:sc= -0.549 (180deg=-2.27!) USER MOD Single : A 88 LYS NZ :NH3+ 161:sc= 1.53 (180deg=0.075) USER MOD Single : A 94 HIS : no HD1:sc=-0.00194 X(o=-0.0019,f=-0.0093) USER MOD Single : A 95 HIS : no HE2:sc= 0.131 K(o=0.13,f=-0.91) USER MOD Single : A 96 HIS : no HE2:sc= 0.773 K(o=0.77,f=-2.9!) USER MOD Single : A 97 HIS : no HD1:sc= -0.875 K(o=-0.87,f=-0.22) USER MOD Single : A 98 HIS : no HD1:sc= -0.0612 X(o=-0.061,f=-0.0027) USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 1.756 1.102 -1.600 1.00 4.00 N ATOM 2 CA GLU A 1 2.726 0.892 -2.708 1.00 42.24 C ATOM 3 C GLU A 1 2.351 -0.337 -3.552 1.00 60.31 C ATOM 4 O GLU A 1 2.474 -1.479 -3.108 1.00 44.21 O ATOM 5 CB GLU A 1 4.151 0.758 -2.142 1.00 64.42 C ATOM 6 CG GLU A 1 4.292 -0.288 -1.037 1.00 23.10 C ATOM 7 CD GLU A 1 5.700 -0.360 -0.463 1.00 22.30 C ATOM 8 OE1 GLU A 1 6.025 0.444 0.435 1.00 25.41 O ATOM 9 OE2 GLU A 1 6.489 -1.223 -0.902 1.00 43.34 O ATOM 0 H1 GLU A 1 2.122 1.828 -0.951 1.00 4.00 H new ATOM 0 H2 GLU A 1 0.845 1.415 -1.991 1.00 4.00 H new ATOM 0 H3 GLU A 1 1.622 0.210 -1.082 1.00 4.00 H new ATOM 0 HA GLU A 1 2.691 1.761 -3.365 1.00 42.24 H new ATOM 0 HB2 GLU A 1 4.830 0.504 -2.956 1.00 64.42 H new ATOM 0 HB3 GLU A 1 4.467 1.726 -1.753 1.00 64.42 H new ATOM 0 HG2 GLU A 1 3.590 -0.059 -0.235 1.00 23.10 H new ATOM 0 HG3 GLU A 1 4.016 -1.266 -1.432 1.00 23.10 H new ATOM 18 N ASP A 2 1.887 -0.089 -4.774 1.00 34.11 N ATOM 19 CA ASP A 2 1.387 -1.151 -5.656 1.00 71.42 C ATOM 20 C ASP A 2 2.156 -1.192 -6.994 1.00 70.42 C ATOM 21 O ASP A 2 2.767 -0.198 -7.395 1.00 53.22 O ATOM 22 CB ASP A 2 -0.113 -0.939 -5.893 1.00 71.11 C ATOM 23 CG ASP A 2 -0.912 -1.076 -4.608 1.00 23.41 C ATOM 24 OD1 ASP A 2 -0.981 -0.098 -3.836 1.00 5.32 O ATOM 25 OD2 ASP A 2 -1.464 -2.169 -4.358 1.00 34.54 O ATOM 0 H ASP A 2 1.845 0.845 -5.182 1.00 34.11 H new ATOM 0 HA ASP A 2 1.548 -2.114 -5.171 1.00 71.42 H new ATOM 0 HB2 ASP A 2 -0.277 0.051 -6.319 1.00 71.11 H new ATOM 0 HB3 ASP A 2 -0.472 -1.664 -6.623 1.00 71.11 H new ATOM 30 N PRO A 3 2.143 -2.350 -7.702 1.00 22.21 N ATOM 31 CA PRO A 3 2.927 -2.546 -8.944 1.00 41.41 C ATOM 32 C PRO A 3 2.654 -1.499 -10.045 1.00 52.30 C ATOM 33 O PRO A 3 3.538 -1.196 -10.852 1.00 11.14 O ATOM 34 CB PRO A 3 2.514 -3.954 -9.419 1.00 54.43 C ATOM 35 CG PRO A 3 1.260 -4.273 -8.671 1.00 13.34 C ATOM 36 CD PRO A 3 1.378 -3.564 -7.352 1.00 14.44 C ATOM 0 HA PRO A 3 3.993 -2.434 -8.744 1.00 41.41 H new ATOM 0 HB2 PRO A 3 2.345 -3.971 -10.496 1.00 54.43 H new ATOM 0 HB3 PRO A 3 3.295 -4.685 -9.207 1.00 54.43 H new ATOM 0 HG2 PRO A 3 0.381 -3.935 -9.219 1.00 13.34 H new ATOM 0 HG3 PRO A 3 1.153 -5.348 -8.529 1.00 13.34 H new ATOM 0 HD2 PRO A 3 0.401 -3.320 -6.935 1.00 14.44 H new ATOM 0 HD3 PRO A 3 1.899 -4.171 -6.611 1.00 14.44 H new ATOM 44 N GLU A 4 1.441 -0.951 -10.085 1.00 12.03 N ATOM 45 CA GLU A 4 1.082 0.047 -11.105 1.00 51.32 C ATOM 46 C GLU A 4 1.739 1.417 -10.847 1.00 51.44 C ATOM 47 O GLU A 4 1.859 2.229 -11.763 1.00 0.33 O ATOM 48 CB GLU A 4 -0.442 0.194 -11.207 1.00 3.11 C ATOM 49 CG GLU A 4 -1.136 -1.046 -11.771 1.00 24.41 C ATOM 50 CD GLU A 4 -2.637 -0.866 -11.923 1.00 23.52 C ATOM 51 OE1 GLU A 4 -3.377 -1.144 -10.958 1.00 40.02 O ATOM 52 OE2 GLU A 4 -3.087 -0.449 -13.014 1.00 4.30 O ATOM 0 H GLU A 4 0.691 -1.175 -9.431 1.00 12.03 H new ATOM 0 HA GLU A 4 1.469 -0.320 -12.056 1.00 51.32 H new ATOM 0 HB2 GLU A 4 -0.846 0.409 -10.218 1.00 3.11 H new ATOM 0 HB3 GLU A 4 -0.675 1.051 -11.839 1.00 3.11 H new ATOM 0 HG2 GLU A 4 -0.704 -1.288 -12.742 1.00 24.41 H new ATOM 0 HG3 GLU A 4 -0.942 -1.895 -11.115 1.00 24.41 H new ATOM 59 N ASP A 5 2.171 1.665 -9.608 1.00 11.23 N ATOM 60 CA ASP A 5 2.884 2.906 -9.278 1.00 24.34 C ATOM 61 C ASP A 5 4.227 2.986 -10.027 1.00 40.34 C ATOM 62 O ASP A 5 5.001 2.022 -10.026 1.00 0.04 O ATOM 63 CB ASP A 5 3.139 3.003 -7.768 1.00 50.05 C ATOM 64 CG ASP A 5 1.865 3.075 -6.945 1.00 4.00 C ATOM 65 OD1 ASP A 5 0.854 3.608 -7.441 1.00 62.52 O ATOM 66 OD2 ASP A 5 1.886 2.628 -5.779 1.00 64.21 O ATOM 0 H ASP A 5 2.042 1.030 -8.821 1.00 11.23 H new ATOM 0 HA ASP A 5 2.253 3.739 -9.589 1.00 24.34 H new ATOM 0 HB2 ASP A 5 3.721 2.138 -7.449 1.00 50.05 H new ATOM 0 HB3 ASP A 5 3.744 3.887 -7.565 1.00 50.05 H new ATOM 71 N PRO A 6 4.531 4.142 -10.664 1.00 5.42 N ATOM 72 CA PRO A 6 5.774 4.334 -11.434 1.00 60.10 C ATOM 73 C PRO A 6 7.030 3.903 -10.658 1.00 14.21 C ATOM 74 O PRO A 6 7.902 3.224 -11.200 1.00 40.35 O ATOM 75 CB PRO A 6 5.799 5.851 -11.728 1.00 24.31 C ATOM 76 CG PRO A 6 4.708 6.445 -10.892 1.00 33.02 C ATOM 77 CD PRO A 6 3.695 5.354 -10.689 1.00 44.33 C ATOM 0 HA PRO A 6 5.785 3.719 -12.334 1.00 60.10 H new ATOM 0 HB2 PRO A 6 6.767 6.283 -11.473 1.00 24.31 H new ATOM 0 HB3 PRO A 6 5.631 6.047 -12.787 1.00 24.31 H new ATOM 0 HG2 PRO A 6 5.097 6.797 -9.937 1.00 33.02 H new ATOM 0 HG3 PRO A 6 4.260 7.305 -11.390 1.00 33.02 H new ATOM 0 HD2 PRO A 6 3.140 5.483 -9.760 1.00 44.33 H new ATOM 0 HD3 PRO A 6 2.963 5.325 -11.496 1.00 44.33 H new ATOM 85 N PHE A 7 7.106 4.288 -9.384 1.00 62.23 N ATOM 86 CA PHE A 7 8.239 3.923 -8.525 1.00 14.52 C ATOM 87 C PHE A 7 8.372 2.394 -8.367 1.00 5.20 C ATOM 88 O PHE A 7 9.455 1.833 -8.545 1.00 44.50 O ATOM 89 CB PHE A 7 8.080 4.581 -7.146 1.00 72.33 C ATOM 90 CG PHE A 7 9.192 4.258 -6.174 1.00 12.25 C ATOM 91 CD1 PHE A 7 10.414 4.910 -6.256 1.00 42.45 C ATOM 92 CD2 PHE A 7 9.013 3.303 -5.180 1.00 5.33 C ATOM 93 CE1 PHE A 7 11.434 4.615 -5.370 1.00 3.32 C ATOM 94 CE2 PHE A 7 10.030 3.005 -4.293 1.00 12.52 C ATOM 95 CZ PHE A 7 11.241 3.662 -4.387 1.00 33.53 C ATOM 0 H PHE A 7 6.395 4.854 -8.920 1.00 62.23 H new ATOM 0 HA PHE A 7 9.149 4.285 -9.003 1.00 14.52 H new ATOM 0 HB2 PHE A 7 8.028 5.662 -7.275 1.00 72.33 H new ATOM 0 HB3 PHE A 7 7.131 4.266 -6.713 1.00 72.33 H new ATOM 0 HD1 PHE A 7 10.570 5.657 -7.021 1.00 42.45 H new ATOM 0 HD2 PHE A 7 8.067 2.787 -5.100 1.00 5.33 H new ATOM 0 HE1 PHE A 7 12.381 5.129 -5.446 1.00 3.32 H new ATOM 0 HE2 PHE A 7 9.878 2.259 -3.527 1.00 12.52 H new ATOM 0 HZ PHE A 7 12.036 3.432 -3.694 1.00 33.53 H new ATOM 105 N THR A 8 7.263 1.728 -8.045 1.00 33.51 N ATOM 106 CA THR A 8 7.270 0.278 -7.785 1.00 25.11 C ATOM 107 C THR A 8 7.745 -0.527 -9.005 1.00 42.24 C ATOM 108 O THR A 8 8.695 -1.307 -8.920 1.00 15.20 O ATOM 109 CB THR A 8 5.863 -0.231 -7.382 1.00 4.45 C ATOM 110 OG1 THR A 8 5.321 0.581 -6.328 1.00 63.02 O ATOM 111 CG2 THR A 8 5.912 -1.686 -6.921 1.00 4.10 C ATOM 0 H THR A 8 6.345 2.165 -7.957 1.00 33.51 H new ATOM 0 HA THR A 8 7.969 0.125 -6.963 1.00 25.11 H new ATOM 0 HB THR A 8 5.224 -0.164 -8.262 1.00 4.45 H new ATOM 0 HG1 THR A 8 4.351 0.451 -6.281 1.00 63.02 H new ATOM 0 HG21 THR A 8 4.910 -2.014 -6.645 1.00 4.10 H new ATOM 0 HG22 THR A 8 6.289 -2.312 -7.730 1.00 4.10 H new ATOM 0 HG23 THR A 8 6.572 -1.772 -6.058 1.00 4.10 H new ATOM 119 N ARG A 9 7.081 -0.326 -10.140 1.00 2.30 N ATOM 120 CA ARG A 9 7.411 -1.052 -11.376 1.00 20.12 C ATOM 121 C ARG A 9 8.831 -0.717 -11.874 1.00 43.41 C ATOM 122 O ARG A 9 9.499 -1.553 -12.486 1.00 12.32 O ATOM 123 CB ARG A 9 6.355 -0.739 -12.450 1.00 3.30 C ATOM 124 CG ARG A 9 6.174 0.755 -12.717 1.00 33.11 C ATOM 125 CD ARG A 9 4.738 1.113 -13.101 1.00 10.12 C ATOM 126 NE ARG A 9 4.348 0.607 -14.416 1.00 1.44 N ATOM 127 CZ ARG A 9 3.529 -0.397 -14.600 1.00 11.32 C ATOM 128 NH1 ARG A 9 3.109 -1.094 -13.589 1.00 71.34 N ATOM 129 NH2 ARG A 9 3.145 -0.712 -15.794 1.00 42.55 N ATOM 0 H ARG A 9 6.309 0.334 -10.236 1.00 2.30 H new ATOM 0 HA ARG A 9 7.399 -2.121 -11.164 1.00 20.12 H new ATOM 0 HB2 ARG A 9 6.637 -1.234 -13.379 1.00 3.30 H new ATOM 0 HB3 ARG A 9 5.399 -1.162 -12.141 1.00 3.30 H new ATOM 0 HG2 ARG A 9 6.459 1.317 -11.827 1.00 33.11 H new ATOM 0 HG3 ARG A 9 6.848 1.062 -13.517 1.00 33.11 H new ATOM 0 HD2 ARG A 9 4.058 0.713 -12.349 1.00 10.12 H new ATOM 0 HD3 ARG A 9 4.625 2.197 -13.088 1.00 10.12 H new ATOM 0 HE ARG A 9 4.738 1.064 -15.240 1.00 1.44 H new ATOM 0 HH11 ARG A 9 3.417 -0.860 -12.645 1.00 71.34 H new ATOM 0 HH12 ARG A 9 2.471 -1.875 -13.738 1.00 71.34 H new ATOM 0 HH21 ARG A 9 3.481 -0.177 -16.595 1.00 42.55 H new ATOM 0 HH22 ARG A 9 2.507 -1.495 -15.934 1.00 42.55 H new ATOM 143 N TYR A 10 9.289 0.503 -11.591 1.00 23.04 N ATOM 144 CA TYR A 10 10.657 0.922 -11.926 1.00 21.44 C ATOM 145 C TYR A 10 11.699 0.195 -11.051 1.00 52.32 C ATOM 146 O TYR A 10 12.745 -0.240 -11.542 1.00 33.24 O ATOM 147 CB TYR A 10 10.785 2.445 -11.766 1.00 55.43 C ATOM 148 CG TYR A 10 12.198 2.980 -11.924 1.00 71.53 C ATOM 149 CD1 TYR A 10 12.822 3.009 -13.168 1.00 31.22 C ATOM 150 CD2 TYR A 10 12.903 3.461 -10.826 1.00 33.21 C ATOM 151 CE1 TYR A 10 14.108 3.497 -13.308 1.00 0.11 C ATOM 152 CE2 TYR A 10 14.185 3.951 -10.960 1.00 41.04 C ATOM 153 CZ TYR A 10 14.783 3.967 -12.201 1.00 51.23 C ATOM 154 OH TYR A 10 16.063 4.451 -12.332 1.00 25.51 O ATOM 0 H TYR A 10 8.733 1.223 -11.129 1.00 23.04 H new ATOM 0 HA TYR A 10 10.856 0.651 -12.963 1.00 21.44 H new ATOM 0 HB2 TYR A 10 10.143 2.930 -12.501 1.00 55.43 H new ATOM 0 HB3 TYR A 10 10.412 2.727 -10.781 1.00 55.43 H new ATOM 0 HD1 TYR A 10 12.294 2.645 -14.037 1.00 31.22 H new ATOM 0 HD2 TYR A 10 12.438 3.451 -9.851 1.00 33.21 H new ATOM 0 HE1 TYR A 10 14.581 3.510 -14.279 1.00 0.11 H new ATOM 0 HE2 TYR A 10 14.718 4.320 -10.096 1.00 41.04 H new ATOM 0 HH TYR A 10 16.394 4.743 -11.457 1.00 25.51 H new ATOM 164 N ALA A 11 11.404 0.063 -9.757 1.00 61.22 N ATOM 165 CA ALA A 11 12.296 -0.635 -8.823 1.00 13.25 C ATOM 166 C ALA A 11 12.509 -2.102 -9.233 1.00 52.00 C ATOM 167 O ALA A 11 13.641 -2.587 -9.284 1.00 34.34 O ATOM 168 CB ALA A 11 11.737 -0.553 -7.407 1.00 24.43 C ATOM 0 H ALA A 11 10.554 0.430 -9.329 1.00 61.22 H new ATOM 0 HA ALA A 11 13.267 -0.142 -8.853 1.00 13.25 H new ATOM 0 HB1 ALA A 11 12.405 -1.074 -6.721 1.00 24.43 H new ATOM 0 HB2 ALA A 11 11.653 0.492 -7.109 1.00 24.43 H new ATOM 0 HB3 ALA A 11 10.752 -1.019 -7.377 1.00 24.43 H new ATOM 174 N LEU A 12 11.412 -2.802 -9.531 1.00 45.34 N ATOM 175 CA LEU A 12 11.486 -4.192 -10.006 1.00 22.11 C ATOM 176 C LEU A 12 12.327 -4.303 -11.287 1.00 74.44 C ATOM 177 O LEU A 12 13.083 -5.262 -11.463 1.00 63.00 O ATOM 178 CB LEU A 12 10.078 -4.769 -10.245 1.00 64.20 C ATOM 179 CG LEU A 12 9.351 -5.310 -8.994 1.00 64.21 C ATOM 180 CD1 LEU A 12 10.131 -6.469 -8.370 1.00 65.03 C ATOM 181 CD2 LEU A 12 9.115 -4.204 -7.966 1.00 64.40 C ATOM 0 H LEU A 12 10.464 -2.434 -9.453 1.00 45.34 H new ATOM 0 HA LEU A 12 11.975 -4.776 -9.226 1.00 22.11 H new ATOM 0 HB2 LEU A 12 9.459 -3.992 -10.694 1.00 64.20 H new ATOM 0 HB3 LEU A 12 10.156 -5.576 -10.974 1.00 64.20 H new ATOM 0 HG LEU A 12 8.378 -5.683 -9.313 1.00 64.21 H new ATOM 0 HD11 LEU A 12 9.600 -6.833 -7.491 1.00 65.03 H new ATOM 0 HD12 LEU A 12 10.227 -7.276 -9.096 1.00 65.03 H new ATOM 0 HD13 LEU A 12 11.123 -6.124 -8.078 1.00 65.03 H new ATOM 0 HD21 LEU A 12 8.602 -4.618 -7.098 1.00 64.40 H new ATOM 0 HD22 LEU A 12 10.072 -3.785 -7.656 1.00 64.40 H new ATOM 0 HD23 LEU A 12 8.502 -3.419 -8.410 1.00 64.40 H new ATOM 193 N ALA A 13 12.194 -3.321 -12.179 1.00 53.20 N ATOM 194 CA ALA A 13 13.001 -3.274 -13.402 1.00 2.12 C ATOM 195 C ALA A 13 14.505 -3.274 -13.073 1.00 64.33 C ATOM 196 O ALA A 13 15.269 -4.084 -13.606 1.00 74.21 O ATOM 197 CB ALA A 13 12.630 -2.049 -14.233 1.00 14.22 C ATOM 0 H ALA A 13 11.536 -2.548 -12.079 1.00 53.20 H new ATOM 0 HA ALA A 13 12.788 -4.169 -13.987 1.00 2.12 H new ATOM 0 HB1 ALA A 13 13.237 -2.026 -15.138 1.00 14.22 H new ATOM 0 HB2 ALA A 13 11.575 -2.099 -14.504 1.00 14.22 H new ATOM 0 HB3 ALA A 13 12.813 -1.146 -13.651 1.00 14.22 H new ATOM 203 N GLN A 14 14.915 -2.373 -12.177 1.00 13.42 N ATOM 204 CA GLN A 14 16.310 -2.307 -11.723 1.00 62.40 C ATOM 205 C GLN A 14 16.756 -3.621 -11.060 1.00 14.43 C ATOM 206 O GLN A 14 17.889 -4.071 -11.245 1.00 71.43 O ATOM 207 CB GLN A 14 16.502 -1.144 -10.738 1.00 15.23 C ATOM 208 CG GLN A 14 16.462 0.236 -11.384 1.00 5.22 C ATOM 209 CD GLN A 14 16.737 1.352 -10.390 1.00 64.53 C ATOM 210 OE1 GLN A 14 16.386 1.261 -9.218 1.00 31.12 O ATOM 211 NE2 GLN A 14 17.396 2.402 -10.839 1.00 52.22 N ATOM 0 H GLN A 14 14.302 -1.678 -11.750 1.00 13.42 H new ATOM 0 HA GLN A 14 16.928 -2.143 -12.605 1.00 62.40 H new ATOM 0 HB2 GLN A 14 15.726 -1.198 -9.974 1.00 15.23 H new ATOM 0 HB3 GLN A 14 17.458 -1.267 -10.230 1.00 15.23 H new ATOM 0 HG2 GLN A 14 17.198 0.279 -12.187 1.00 5.22 H new ATOM 0 HG3 GLN A 14 15.484 0.392 -11.839 1.00 5.22 H new ATOM 0 HE21 GLN A 14 17.674 2.449 -11.819 1.00 52.22 H new ATOM 0 HE22 GLN A 14 17.628 3.168 -10.206 1.00 52.22 H new ATOM 220 N GLU A 15 15.869 -4.226 -10.277 1.00 34.04 N ATOM 221 CA GLU A 15 16.171 -5.502 -9.624 1.00 22.52 C ATOM 222 C GLU A 15 16.461 -6.613 -10.642 1.00 52.33 C ATOM 223 O GLU A 15 17.466 -7.317 -10.524 1.00 74.34 O ATOM 224 CB GLU A 15 15.031 -5.918 -8.684 1.00 24.23 C ATOM 225 CG GLU A 15 15.054 -5.192 -7.348 1.00 41.51 C ATOM 226 CD GLU A 15 16.370 -5.394 -6.614 1.00 74.05 C ATOM 227 OE1 GLU A 15 16.590 -6.501 -6.073 1.00 73.34 O ATOM 228 OE2 GLU A 15 17.202 -4.460 -6.601 1.00 4.04 O ATOM 0 H GLU A 15 14.939 -3.858 -10.078 1.00 34.04 H new ATOM 0 HA GLU A 15 17.075 -5.355 -9.033 1.00 22.52 H new ATOM 0 HB2 GLU A 15 14.077 -5.728 -9.176 1.00 24.23 H new ATOM 0 HB3 GLU A 15 15.090 -6.992 -8.507 1.00 24.23 H new ATOM 0 HG2 GLU A 15 14.889 -4.127 -7.511 1.00 41.51 H new ATOM 0 HG3 GLU A 15 14.233 -5.550 -6.726 1.00 41.51 H new ATOM 235 N HIS A 16 15.592 -6.767 -11.641 1.00 62.44 N ATOM 236 CA HIS A 16 15.809 -7.772 -12.689 1.00 24.24 C ATOM 237 C HIS A 16 17.191 -7.605 -13.342 1.00 50.31 C ATOM 238 O HIS A 16 17.853 -8.591 -13.657 1.00 41.21 O ATOM 239 CB HIS A 16 14.704 -7.716 -13.753 1.00 34.52 C ATOM 240 CG HIS A 16 13.372 -8.219 -13.273 1.00 71.12 C ATOM 241 ND1 HIS A 16 13.120 -9.551 -13.003 1.00 61.32 N ATOM 242 CD2 HIS A 16 12.211 -7.569 -13.026 1.00 71.14 C ATOM 243 CE1 HIS A 16 11.868 -9.694 -12.616 1.00 22.03 C ATOM 244 NE2 HIS A 16 11.298 -8.510 -12.621 1.00 4.25 N ATOM 0 H HIS A 16 14.740 -6.217 -11.749 1.00 62.44 H new ATOM 0 HA HIS A 16 15.772 -8.751 -12.212 1.00 24.24 H new ATOM 0 HB2 HIS A 16 14.592 -6.686 -14.093 1.00 34.52 H new ATOM 0 HB3 HIS A 16 15.014 -8.305 -14.616 1.00 34.52 H new ATOM 0 HD2 HIS A 16 12.036 -6.508 -13.128 1.00 71.14 H new ATOM 0 HE1 HIS A 16 11.393 -10.624 -12.342 1.00 22.03 H new ATOM 0 HE2 HIS A 16 10.329 -8.320 -12.364 1.00 4.25 H new ATOM 253 N LEU A 17 17.627 -6.358 -13.526 1.00 21.25 N ATOM 254 CA LEU A 17 18.978 -6.081 -14.037 1.00 2.43 C ATOM 255 C LEU A 17 20.053 -6.678 -13.112 1.00 63.11 C ATOM 256 O LEU A 17 20.936 -7.412 -13.562 1.00 61.35 O ATOM 257 CB LEU A 17 19.196 -4.567 -14.186 1.00 43.41 C ATOM 258 CG LEU A 17 18.338 -3.875 -15.257 1.00 20.10 C ATOM 259 CD1 LEU A 17 18.530 -2.361 -15.210 1.00 34.40 C ATOM 260 CD2 LEU A 17 18.673 -4.413 -16.647 1.00 55.04 C ATOM 0 H LEU A 17 17.071 -5.525 -13.331 1.00 21.25 H new ATOM 0 HA LEU A 17 19.068 -6.551 -15.016 1.00 2.43 H new ATOM 0 HB2 LEU A 17 18.997 -4.093 -13.225 1.00 43.41 H new ATOM 0 HB3 LEU A 17 20.246 -4.390 -14.417 1.00 43.41 H new ATOM 0 HG LEU A 17 17.291 -4.094 -15.046 1.00 20.10 H new ATOM 0 HD11 LEU A 17 17.913 -1.892 -15.977 1.00 34.40 H new ATOM 0 HD12 LEU A 17 18.236 -1.987 -14.229 1.00 34.40 H new ATOM 0 HD13 LEU A 17 19.578 -2.121 -15.391 1.00 34.40 H new ATOM 0 HD21 LEU A 17 18.055 -3.910 -17.391 1.00 55.04 H new ATOM 0 HD22 LEU A 17 19.725 -4.228 -16.865 1.00 55.04 H new ATOM 0 HD23 LEU A 17 18.479 -5.485 -16.679 1.00 55.04 H new ATOM 272 N LYS A 18 19.962 -6.375 -11.814 1.00 1.14 N ATOM 273 CA LYS A 18 20.897 -6.931 -10.822 1.00 23.43 C ATOM 274 C LYS A 18 20.855 -8.468 -10.835 1.00 65.43 C ATOM 275 O LYS A 18 21.878 -9.139 -10.691 1.00 72.23 O ATOM 276 CB LYS A 18 20.556 -6.444 -9.405 1.00 21.12 C ATOM 277 CG LYS A 18 20.463 -4.930 -9.254 1.00 51.34 C ATOM 278 CD LYS A 18 20.274 -4.533 -7.791 1.00 52.21 C ATOM 279 CE LYS A 18 19.969 -3.049 -7.631 1.00 64.54 C ATOM 280 NZ LYS A 18 18.665 -2.682 -8.244 1.00 13.11 N ATOM 0 H LYS A 18 19.256 -5.751 -11.423 1.00 1.14 H new ATOM 0 HA LYS A 18 21.895 -6.587 -11.093 1.00 23.43 H new ATOM 0 HB2 LYS A 18 19.605 -6.884 -9.104 1.00 21.12 H new ATOM 0 HB3 LYS A 18 21.313 -6.818 -8.716 1.00 21.12 H new ATOM 0 HG2 LYS A 18 21.368 -4.466 -9.646 1.00 51.34 H new ATOM 0 HG3 LYS A 18 19.630 -4.553 -9.847 1.00 51.34 H new ATOM 0 HD2 LYS A 18 19.461 -5.118 -7.360 1.00 52.21 H new ATOM 0 HD3 LYS A 18 21.176 -4.779 -7.230 1.00 52.21 H new ATOM 0 HE2 LYS A 18 19.957 -2.793 -6.572 1.00 64.54 H new ATOM 0 HE3 LYS A 18 20.764 -2.463 -8.092 1.00 64.54 H new ATOM 0 HZ1 LYS A 18 18.430 -1.699 -7.998 1.00 13.11 H new ATOM 0 HZ2 LYS A 18 18.729 -2.774 -9.278 1.00 13.11 H new ATOM 0 HZ3 LYS A 18 17.922 -3.315 -7.885 1.00 13.11 H new ATOM 294 N HIS A 19 19.655 -9.012 -11.014 1.00 70.51 N ATOM 295 CA HIS A 19 19.444 -10.463 -10.998 1.00 44.22 C ATOM 296 C HIS A 19 19.627 -11.084 -12.397 1.00 2.44 C ATOM 297 O HIS A 19 19.104 -12.161 -12.672 1.00 11.42 O ATOM 298 CB HIS A 19 18.044 -10.779 -10.446 1.00 20.33 C ATOM 299 CG HIS A 19 17.798 -10.212 -9.074 1.00 45.13 C ATOM 300 ND1 HIS A 19 18.631 -10.443 -8.000 1.00 31.41 N ATOM 301 CD2 HIS A 19 16.824 -9.389 -8.611 1.00 64.41 C ATOM 302 CE1 HIS A 19 18.183 -9.790 -6.946 1.00 45.33 C ATOM 303 NE2 HIS A 19 17.090 -9.140 -7.287 1.00 5.10 N ATOM 0 H HIS A 19 18.806 -8.469 -11.173 1.00 70.51 H new ATOM 0 HA HIS A 19 20.198 -10.906 -10.347 1.00 44.22 H new ATOM 0 HB2 HIS A 19 17.294 -10.386 -11.133 1.00 20.33 H new ATOM 0 HB3 HIS A 19 17.911 -11.860 -10.413 1.00 20.33 H new ATOM 0 HD2 HIS A 19 15.992 -9.001 -9.180 1.00 64.41 H new ATOM 0 HE1 HIS A 19 18.637 -9.788 -5.966 1.00 45.33 H new ATOM 0 HE2 HIS A 19 16.533 -8.549 -6.670 1.00 5.10 H new ATOM 312 N ASP A 20 20.359 -10.382 -13.275 1.00 52.51 N ATOM 313 CA ASP A 20 20.746 -10.902 -14.605 1.00 74.23 C ATOM 314 C ASP A 20 19.582 -10.904 -15.623 1.00 42.51 C ATOM 315 O ASP A 20 19.800 -11.077 -16.826 1.00 1.34 O ATOM 316 CB ASP A 20 21.348 -12.311 -14.471 1.00 5.24 C ATOM 317 CG ASP A 20 21.824 -12.883 -15.796 1.00 74.53 C ATOM 318 OD1 ASP A 20 22.925 -12.512 -16.250 1.00 71.50 O ATOM 319 OD2 ASP A 20 21.102 -13.712 -16.389 1.00 3.44 O ATOM 0 H ASP A 20 20.701 -9.439 -13.088 1.00 52.51 H new ATOM 0 HA ASP A 20 21.498 -10.219 -15.001 1.00 74.23 H new ATOM 0 HB2 ASP A 20 22.186 -12.277 -13.774 1.00 5.24 H new ATOM 0 HB3 ASP A 20 20.602 -12.979 -14.040 1.00 5.24 H new ATOM 324 N ASN A 21 18.358 -10.684 -15.158 1.00 74.53 N ATOM 325 CA ASN A 21 17.185 -10.718 -16.041 1.00 41.03 C ATOM 326 C ASN A 21 17.026 -9.399 -16.815 1.00 33.33 C ATOM 327 O ASN A 21 16.008 -8.709 -16.697 1.00 53.03 O ATOM 328 CB ASN A 21 15.916 -11.024 -15.239 1.00 55.51 C ATOM 329 CG ASN A 21 16.016 -12.329 -14.475 1.00 43.44 C ATOM 330 OD1 ASN A 21 16.374 -12.350 -13.304 1.00 12.41 O ATOM 331 ND2 ASN A 21 15.711 -13.428 -15.133 1.00 4.14 N ATOM 0 H ASN A 21 18.146 -10.481 -14.181 1.00 74.53 H new ATOM 0 HA ASN A 21 17.341 -11.515 -16.768 1.00 41.03 H new ATOM 0 HB2 ASN A 21 15.727 -10.210 -14.539 1.00 55.51 H new ATOM 0 HB3 ASN A 21 15.063 -11.067 -15.916 1.00 55.51 H new ATOM 0 HD21 ASN A 21 15.769 -14.334 -14.668 1.00 4.14 H new ATOM 0 HD22 ASN A 21 15.416 -13.374 -16.108 1.00 4.14 H new ATOM 338 N ALA A 22 18.033 -9.069 -17.622 1.00 41.35 N ATOM 339 CA ALA A 22 18.046 -7.831 -18.404 1.00 51.14 C ATOM 340 C ALA A 22 16.889 -7.777 -19.410 1.00 43.31 C ATOM 341 O ALA A 22 16.262 -6.737 -19.587 1.00 22.50 O ATOM 342 CB ALA A 22 19.380 -7.680 -19.126 1.00 54.44 C ATOM 0 H ALA A 22 18.861 -9.650 -17.753 1.00 41.35 H new ATOM 0 HA ALA A 22 17.915 -7.001 -17.709 1.00 51.14 H new ATOM 0 HB1 ALA A 22 19.378 -6.756 -19.704 1.00 54.44 H new ATOM 0 HB2 ALA A 22 20.188 -7.649 -18.395 1.00 54.44 H new ATOM 0 HB3 ALA A 22 19.529 -8.527 -19.796 1.00 54.44 H new ATOM 348 N SER A 23 16.615 -8.903 -20.067 1.00 13.12 N ATOM 349 CA SER A 23 15.511 -8.991 -21.036 1.00 4.11 C ATOM 350 C SER A 23 14.151 -8.706 -20.371 1.00 32.44 C ATOM 351 O SER A 23 13.327 -7.963 -20.905 1.00 61.34 O ATOM 352 CB SER A 23 15.490 -10.376 -21.699 1.00 3.42 C ATOM 353 OG SER A 23 16.729 -10.656 -22.338 1.00 33.32 O ATOM 0 H SER A 23 17.139 -9.770 -19.950 1.00 13.12 H new ATOM 0 HA SER A 23 15.680 -8.230 -21.798 1.00 4.11 H new ATOM 0 HB2 SER A 23 15.284 -11.139 -20.948 1.00 3.42 H new ATOM 0 HB3 SER A 23 14.682 -10.421 -22.429 1.00 3.42 H new ATOM 0 HG SER A 23 16.691 -11.544 -22.751 1.00 33.32 H new ATOM 359 N ARG A 24 13.920 -9.301 -19.200 1.00 34.02 N ATOM 360 CA ARG A 24 12.683 -9.057 -18.444 1.00 4.51 C ATOM 361 C ARG A 24 12.635 -7.618 -17.903 1.00 53.11 C ATOM 362 O ARG A 24 11.566 -7.014 -17.810 1.00 43.24 O ATOM 363 CB ARG A 24 12.544 -10.062 -17.289 1.00 54.15 C ATOM 364 CG ARG A 24 12.257 -11.497 -17.737 1.00 55.10 C ATOM 365 CD ARG A 24 10.933 -11.608 -18.498 1.00 14.22 C ATOM 366 NE ARG A 24 10.585 -12.997 -18.799 1.00 4.13 N ATOM 367 CZ ARG A 24 9.636 -13.361 -19.624 1.00 53.52 C ATOM 368 NH1 ARG A 24 8.953 -12.482 -20.289 1.00 13.05 N ATOM 369 NH2 ARG A 24 9.377 -14.619 -19.784 1.00 13.23 N ATOM 0 H ARG A 24 14.566 -9.952 -18.754 1.00 34.02 H new ATOM 0 HA ARG A 24 11.846 -9.192 -19.129 1.00 4.51 H new ATOM 0 HB2 ARG A 24 13.463 -10.053 -16.702 1.00 54.15 H new ATOM 0 HB3 ARG A 24 11.741 -9.732 -16.630 1.00 54.15 H new ATOM 0 HG2 ARG A 24 13.070 -11.848 -18.372 1.00 55.10 H new ATOM 0 HG3 ARG A 24 12.229 -12.150 -16.865 1.00 55.10 H new ATOM 0 HD2 ARG A 24 10.137 -11.155 -17.907 1.00 14.22 H new ATOM 0 HD3 ARG A 24 11.001 -11.042 -19.427 1.00 14.22 H new ATOM 0 HE ARG A 24 11.118 -13.732 -18.334 1.00 4.13 H new ATOM 0 HH11 ARG A 24 9.152 -11.488 -20.174 1.00 13.05 H new ATOM 0 HH12 ARG A 24 8.217 -12.784 -20.927 1.00 13.05 H new ATOM 0 HH21 ARG A 24 9.911 -15.319 -19.269 1.00 13.23 H new ATOM 0 HH22 ARG A 24 8.639 -14.910 -20.425 1.00 13.23 H new ATOM 383 N ALA A 25 13.800 -7.077 -17.544 1.00 54.14 N ATOM 384 CA ALA A 25 13.901 -5.682 -17.099 1.00 34.44 C ATOM 385 C ALA A 25 13.550 -4.713 -18.237 1.00 74.53 C ATOM 386 O ALA A 25 12.760 -3.786 -18.056 1.00 64.52 O ATOM 387 CB ALA A 25 15.301 -5.398 -16.570 1.00 52.30 C ATOM 0 H ALA A 25 14.687 -7.581 -17.552 1.00 54.14 H new ATOM 0 HA ALA A 25 13.183 -5.528 -16.294 1.00 34.44 H new ATOM 0 HB1 ALA A 25 15.363 -4.360 -16.243 1.00 52.30 H new ATOM 0 HB2 ALA A 25 15.512 -6.057 -15.728 1.00 52.30 H new ATOM 0 HB3 ALA A 25 16.031 -5.574 -17.360 1.00 52.30 H new ATOM 393 N LEU A 26 14.143 -4.946 -19.411 1.00 63.21 N ATOM 394 CA LEU A 26 13.835 -4.173 -20.621 1.00 71.41 C ATOM 395 C LEU A 26 12.321 -4.118 -20.859 1.00 50.41 C ATOM 396 O LEU A 26 11.758 -3.050 -21.105 1.00 71.42 O ATOM 397 CB LEU A 26 14.543 -4.799 -21.836 1.00 40.10 C ATOM 398 CG LEU A 26 14.332 -4.081 -23.182 1.00 14.01 C ATOM 399 CD1 LEU A 26 14.848 -2.645 -23.120 1.00 71.10 C ATOM 400 CD2 LEU A 26 15.013 -4.850 -24.315 1.00 22.54 C ATOM 0 H LEU A 26 14.846 -5.671 -19.551 1.00 63.21 H new ATOM 0 HA LEU A 26 14.196 -3.154 -20.484 1.00 71.41 H new ATOM 0 HB2 LEU A 26 15.613 -4.835 -21.630 1.00 40.10 H new ATOM 0 HB3 LEU A 26 14.203 -5.829 -21.939 1.00 40.10 H new ATOM 0 HG LEU A 26 13.261 -4.048 -23.384 1.00 14.01 H new ATOM 0 HD11 LEU A 26 14.688 -2.159 -24.082 1.00 71.10 H new ATOM 0 HD12 LEU A 26 14.312 -2.099 -22.344 1.00 71.10 H new ATOM 0 HD13 LEU A 26 15.913 -2.651 -22.889 1.00 71.10 H new ATOM 0 HD21 LEU A 26 14.852 -4.327 -25.258 1.00 22.54 H new ATOM 0 HD22 LEU A 26 16.082 -4.920 -24.116 1.00 22.54 H new ATOM 0 HD23 LEU A 26 14.590 -5.853 -24.380 1.00 22.54 H new ATOM 412 N ALA A 27 11.671 -5.276 -20.751 1.00 72.02 N ATOM 413 CA ALA A 27 10.216 -5.369 -20.886 1.00 53.40 C ATOM 414 C ALA A 27 9.489 -4.444 -19.894 1.00 23.24 C ATOM 415 O ALA A 27 8.467 -3.846 -20.230 1.00 31.32 O ATOM 416 CB ALA A 27 9.766 -6.811 -20.689 1.00 33.50 C ATOM 0 H ALA A 27 12.131 -6.168 -20.569 1.00 72.02 H new ATOM 0 HA ALA A 27 9.954 -5.041 -21.892 1.00 53.40 H new ATOM 0 HB1 ALA A 27 8.682 -6.871 -20.791 1.00 33.50 H new ATOM 0 HB2 ALA A 27 10.237 -7.445 -21.440 1.00 33.50 H new ATOM 0 HB3 ALA A 27 10.056 -7.150 -19.695 1.00 33.50 H new ATOM 422 N LEU A 28 10.024 -4.325 -18.675 1.00 71.10 N ATOM 423 CA LEU A 28 9.431 -3.458 -17.646 1.00 24.13 C ATOM 424 C LEU A 28 9.705 -1.966 -17.913 1.00 44.30 C ATOM 425 O LEU A 28 8.862 -1.119 -17.618 1.00 43.23 O ATOM 426 CB LEU A 28 9.929 -3.851 -16.247 1.00 22.13 C ATOM 427 CG LEU A 28 9.395 -5.192 -15.717 1.00 72.02 C ATOM 428 CD1 LEU A 28 9.922 -5.463 -14.311 1.00 43.45 C ATOM 429 CD2 LEU A 28 7.865 -5.208 -15.735 1.00 54.10 C ATOM 0 H LEU A 28 10.866 -4.817 -18.375 1.00 71.10 H new ATOM 0 HA LEU A 28 8.352 -3.605 -17.691 1.00 24.13 H new ATOM 0 HB2 LEU A 28 11.018 -3.893 -16.265 1.00 22.13 H new ATOM 0 HB3 LEU A 28 9.651 -3.064 -15.545 1.00 22.13 H new ATOM 0 HG LEU A 28 9.752 -5.986 -16.373 1.00 72.02 H new ATOM 0 HD11 LEU A 28 9.533 -6.416 -13.954 1.00 43.45 H new ATOM 0 HD12 LEU A 28 11.011 -5.501 -14.332 1.00 43.45 H new ATOM 0 HD13 LEU A 28 9.599 -4.666 -13.641 1.00 43.45 H new ATOM 0 HD21 LEU A 28 7.507 -6.165 -15.356 1.00 54.10 H new ATOM 0 HD22 LEU A 28 7.485 -4.403 -15.105 1.00 54.10 H new ATOM 0 HD23 LEU A 28 7.512 -5.067 -16.756 1.00 54.10 H new ATOM 441 N PHE A 29 10.874 -1.640 -18.463 1.00 62.32 N ATOM 442 CA PHE A 29 11.161 -0.257 -18.871 1.00 54.12 C ATOM 443 C PHE A 29 10.246 0.168 -20.031 1.00 74.21 C ATOM 444 O PHE A 29 9.742 1.291 -20.064 1.00 63.41 O ATOM 445 CB PHE A 29 12.634 -0.092 -19.272 1.00 43.30 C ATOM 446 CG PHE A 29 13.597 -0.145 -18.110 1.00 44.35 C ATOM 447 CD1 PHE A 29 13.680 0.912 -17.214 1.00 44.13 C ATOM 448 CD2 PHE A 29 14.415 -1.247 -17.912 1.00 24.22 C ATOM 449 CE1 PHE A 29 14.559 0.871 -16.149 1.00 20.43 C ATOM 450 CE2 PHE A 29 15.296 -1.293 -16.848 1.00 53.42 C ATOM 451 CZ PHE A 29 15.367 -0.233 -15.965 1.00 61.14 C ATOM 0 H PHE A 29 11.631 -2.301 -18.636 1.00 62.32 H new ATOM 0 HA PHE A 29 10.965 0.389 -18.015 1.00 54.12 H new ATOM 0 HB2 PHE A 29 12.896 -0.875 -19.984 1.00 43.30 H new ATOM 0 HB3 PHE A 29 12.755 0.861 -19.788 1.00 43.30 H new ATOM 0 HD1 PHE A 29 13.049 1.778 -17.351 1.00 44.13 H new ATOM 0 HD2 PHE A 29 14.363 -2.080 -18.598 1.00 24.22 H new ATOM 0 HE1 PHE A 29 14.614 1.702 -15.461 1.00 20.43 H new ATOM 0 HE2 PHE A 29 15.928 -2.157 -16.707 1.00 53.42 H new ATOM 0 HZ PHE A 29 16.054 -0.268 -15.132 1.00 61.14 H new ATOM 461 N GLU A 30 10.034 -0.741 -20.979 1.00 13.30 N ATOM 462 CA GLU A 30 9.085 -0.509 -22.073 1.00 10.42 C ATOM 463 C GLU A 30 7.639 -0.492 -21.536 1.00 73.11 C ATOM 464 O GLU A 30 6.790 0.263 -22.019 1.00 72.41 O ATOM 465 CB GLU A 30 9.258 -1.583 -23.157 1.00 73.33 C ATOM 466 CG GLU A 30 10.672 -1.641 -23.734 1.00 42.40 C ATOM 467 CD GLU A 30 10.835 -2.702 -24.814 1.00 10.21 C ATOM 468 OE1 GLU A 30 10.663 -3.905 -24.509 1.00 52.15 O ATOM 469 OE2 GLU A 30 11.134 -2.342 -25.973 1.00 3.13 O ATOM 0 H GLU A 30 10.504 -1.645 -21.015 1.00 13.30 H new ATOM 0 HA GLU A 30 9.289 0.464 -22.519 1.00 10.42 H new ATOM 0 HB2 GLU A 30 9.005 -2.556 -22.737 1.00 73.33 H new ATOM 0 HB3 GLU A 30 8.552 -1.391 -23.965 1.00 73.33 H new ATOM 0 HG2 GLU A 30 10.928 -0.666 -24.149 1.00 42.40 H new ATOM 0 HG3 GLU A 30 11.379 -1.840 -22.928 1.00 42.40 H new ATOM 476 N GLU A 31 7.383 -1.328 -20.524 1.00 51.30 N ATOM 477 CA GLU A 31 6.115 -1.310 -19.773 1.00 64.20 C ATOM 478 C GLU A 31 5.872 0.082 -19.162 1.00 64.51 C ATOM 479 O GLU A 31 4.761 0.615 -19.207 1.00 55.12 O ATOM 480 CB GLU A 31 6.162 -2.379 -18.663 1.00 44.43 C ATOM 481 CG GLU A 31 4.948 -2.412 -17.730 1.00 44.32 C ATOM 482 CD GLU A 31 3.705 -3.023 -18.363 1.00 33.41 C ATOM 483 OE1 GLU A 31 3.776 -4.182 -18.820 1.00 73.35 O ATOM 484 OE2 GLU A 31 2.644 -2.370 -18.364 1.00 1.43 O ATOM 0 H GLU A 31 8.043 -2.035 -20.201 1.00 51.30 H new ATOM 0 HA GLU A 31 5.293 -1.533 -20.454 1.00 64.20 H new ATOM 0 HB2 GLU A 31 6.267 -3.358 -19.130 1.00 44.43 H new ATOM 0 HB3 GLU A 31 7.056 -2.215 -18.062 1.00 44.43 H new ATOM 0 HG2 GLU A 31 5.204 -2.978 -16.835 1.00 44.32 H new ATOM 0 HG3 GLU A 31 4.719 -1.395 -17.410 1.00 44.32 H new ATOM 491 N LEU A 32 6.926 0.664 -18.589 1.00 5.13 N ATOM 492 CA LEU A 32 6.878 2.037 -18.078 1.00 65.32 C ATOM 493 C LEU A 32 6.434 3.018 -19.171 1.00 45.10 C ATOM 494 O LEU A 32 5.449 3.726 -19.007 1.00 55.13 O ATOM 495 CB LEU A 32 8.254 2.449 -17.530 1.00 0.22 C ATOM 496 CG LEU A 32 8.582 1.952 -16.112 1.00 65.04 C ATOM 497 CD1 LEU A 32 10.072 2.106 -15.812 1.00 55.35 C ATOM 498 CD2 LEU A 32 7.748 2.714 -15.083 1.00 30.12 C ATOM 0 H LEU A 32 7.828 0.204 -18.466 1.00 5.13 H new ATOM 0 HA LEU A 32 6.146 2.071 -17.271 1.00 65.32 H new ATOM 0 HB2 LEU A 32 9.021 2.081 -18.211 1.00 0.22 H new ATOM 0 HB3 LEU A 32 8.317 3.537 -17.538 1.00 0.22 H new ATOM 0 HG LEU A 32 8.334 0.892 -16.052 1.00 65.04 H new ATOM 0 HD11 LEU A 32 10.279 1.748 -14.804 1.00 55.35 H new ATOM 0 HD12 LEU A 32 10.650 1.524 -16.530 1.00 55.35 H new ATOM 0 HD13 LEU A 32 10.352 3.157 -15.888 1.00 55.35 H new ATOM 0 HD21 LEU A 32 7.988 2.355 -14.082 1.00 30.12 H new ATOM 0 HD22 LEU A 32 7.972 3.779 -15.150 1.00 30.12 H new ATOM 0 HD23 LEU A 32 6.689 2.553 -15.282 1.00 30.12 H new ATOM 510 N VAL A 33 7.144 3.018 -20.299 1.00 3.40 N ATOM 511 CA VAL A 33 6.854 3.944 -21.406 1.00 15.15 C ATOM 512 C VAL A 33 5.389 3.857 -21.877 1.00 70.14 C ATOM 513 O VAL A 33 4.720 4.879 -22.041 1.00 3.13 O ATOM 514 CB VAL A 33 7.787 3.682 -22.619 1.00 11.14 C ATOM 515 CG1 VAL A 33 7.496 4.660 -23.758 1.00 52.34 C ATOM 516 CG2 VAL A 33 9.254 3.762 -22.199 1.00 72.13 C ATOM 0 H VAL A 33 7.926 2.388 -20.475 1.00 3.40 H new ATOM 0 HA VAL A 33 7.033 4.945 -21.014 1.00 15.15 H new ATOM 0 HB VAL A 33 7.589 2.674 -22.984 1.00 11.14 H new ATOM 0 HG11 VAL A 33 8.164 4.454 -24.594 1.00 52.34 H new ATOM 0 HG12 VAL A 33 6.462 4.544 -24.082 1.00 52.34 H new ATOM 0 HG13 VAL A 33 7.655 5.681 -23.410 1.00 52.34 H new ATOM 0 HG21 VAL A 33 9.891 3.575 -23.064 1.00 72.13 H new ATOM 0 HG22 VAL A 33 9.465 4.754 -21.801 1.00 72.13 H new ATOM 0 HG23 VAL A 33 9.454 3.013 -21.433 1.00 72.13 H new ATOM 526 N GLU A 34 4.891 2.639 -22.089 1.00 11.23 N ATOM 527 CA GLU A 34 3.533 2.446 -22.618 1.00 24.42 C ATOM 528 C GLU A 34 2.441 2.804 -21.587 1.00 54.54 C ATOM 529 O GLU A 34 1.337 3.205 -21.960 1.00 74.40 O ATOM 530 CB GLU A 34 3.345 1.000 -23.110 1.00 54.31 C ATOM 531 CG GLU A 34 3.465 -0.058 -22.017 1.00 24.40 C ATOM 532 CD GLU A 34 3.298 -1.477 -22.544 1.00 60.43 C ATOM 533 OE1 GLU A 34 2.140 -1.917 -22.720 1.00 43.31 O ATOM 534 OE2 GLU A 34 4.320 -2.154 -22.787 1.00 50.14 O ATOM 0 H GLU A 34 5.400 1.774 -21.905 1.00 11.23 H new ATOM 0 HA GLU A 34 3.421 3.131 -23.459 1.00 24.42 H new ATOM 0 HB2 GLU A 34 2.364 0.913 -23.577 1.00 54.31 H new ATOM 0 HB3 GLU A 34 4.086 0.793 -23.882 1.00 54.31 H new ATOM 0 HG2 GLU A 34 4.439 0.033 -21.536 1.00 24.40 H new ATOM 0 HG3 GLU A 34 2.712 0.131 -21.252 1.00 24.40 H new ATOM 541 N THR A 35 2.746 2.655 -20.295 1.00 53.50 N ATOM 542 CA THR A 35 1.770 2.956 -19.225 1.00 24.13 C ATOM 543 C THR A 35 1.951 4.365 -18.640 1.00 10.34 C ATOM 544 O THR A 35 1.025 4.920 -18.038 1.00 33.22 O ATOM 545 CB THR A 35 1.847 1.925 -18.067 1.00 63.14 C ATOM 546 OG1 THR A 35 3.164 1.910 -17.484 1.00 1.12 O ATOM 547 CG2 THR A 35 1.492 0.528 -18.563 1.00 5.35 C ATOM 0 H THR A 35 3.653 2.330 -19.958 1.00 53.50 H new ATOM 0 HA THR A 35 0.792 2.897 -19.702 1.00 24.13 H new ATOM 0 HB THR A 35 1.126 2.225 -17.306 1.00 63.14 H new ATOM 0 HG1 THR A 35 3.756 1.349 -18.027 1.00 1.12 H new ATOM 0 HG21 THR A 35 1.552 -0.178 -17.735 1.00 5.35 H new ATOM 0 HG22 THR A 35 0.479 0.531 -18.964 1.00 5.35 H new ATOM 0 HG23 THR A 35 2.191 0.231 -19.345 1.00 5.35 H new ATOM 555 N ASP A 36 3.134 4.942 -18.829 1.00 30.32 N ATOM 556 CA ASP A 36 3.457 6.260 -18.279 1.00 11.04 C ATOM 557 C ASP A 36 4.670 6.879 -19.010 1.00 10.12 C ATOM 558 O ASP A 36 5.823 6.608 -18.663 1.00 34.33 O ATOM 559 CB ASP A 36 3.744 6.146 -16.772 1.00 55.10 C ATOM 560 CG ASP A 36 3.802 7.500 -16.081 1.00 40.33 C ATOM 561 OD1 ASP A 36 4.725 8.287 -16.372 1.00 22.42 O ATOM 562 OD2 ASP A 36 2.917 7.788 -15.246 1.00 54.43 O ATOM 0 H ASP A 36 3.892 4.516 -19.363 1.00 30.32 H new ATOM 0 HA ASP A 36 2.599 6.916 -18.429 1.00 11.04 H new ATOM 0 HB2 ASP A 36 2.971 5.537 -16.304 1.00 55.10 H new ATOM 0 HB3 ASP A 36 4.691 5.627 -16.625 1.00 55.10 H new ATOM 567 N PRO A 37 4.423 7.705 -20.047 1.00 44.12 N ATOM 568 CA PRO A 37 5.491 8.404 -20.778 1.00 2.34 C ATOM 569 C PRO A 37 5.947 9.695 -20.072 1.00 33.52 C ATOM 570 O PRO A 37 6.799 10.429 -20.582 1.00 32.13 O ATOM 571 CB PRO A 37 4.817 8.723 -22.118 1.00 24.21 C ATOM 572 CG PRO A 37 3.382 8.936 -21.765 1.00 42.13 C ATOM 573 CD PRO A 37 3.089 8.009 -20.606 1.00 22.15 C ATOM 0 HA PRO A 37 6.399 7.808 -20.863 1.00 2.34 H new ATOM 0 HB2 PRO A 37 5.249 9.611 -22.580 1.00 24.21 H new ATOM 0 HB3 PRO A 37 4.935 7.904 -22.828 1.00 24.21 H new ATOM 0 HG2 PRO A 37 3.199 9.974 -21.488 1.00 42.13 H new ATOM 0 HG3 PRO A 37 2.735 8.714 -22.614 1.00 42.13 H new ATOM 0 HD2 PRO A 37 2.445 8.485 -19.867 1.00 22.15 H new ATOM 0 HD3 PRO A 37 2.579 7.104 -20.937 1.00 22.15 H new ATOM 581 N ASP A 38 5.377 9.961 -18.894 1.00 44.23 N ATOM 582 CA ASP A 38 5.686 11.174 -18.130 1.00 13.52 C ATOM 583 C ASP A 38 6.873 10.955 -17.175 1.00 35.13 C ATOM 584 O ASP A 38 7.552 11.907 -16.783 1.00 2.53 O ATOM 585 CB ASP A 38 4.451 11.618 -17.337 1.00 73.41 C ATOM 586 CG ASP A 38 3.234 11.825 -18.226 1.00 60.14 C ATOM 587 OD1 ASP A 38 3.200 12.827 -18.973 1.00 0.01 O ATOM 588 OD2 ASP A 38 2.301 10.993 -18.177 1.00 11.53 O ATOM 0 H ASP A 38 4.695 9.349 -18.446 1.00 44.23 H new ATOM 0 HA ASP A 38 5.967 11.954 -18.838 1.00 13.52 H new ATOM 0 HB2 ASP A 38 4.221 10.869 -16.579 1.00 73.41 H new ATOM 0 HB3 ASP A 38 4.675 12.546 -16.811 1.00 73.41 H new ATOM 593 N TYR A 39 7.105 9.700 -16.789 1.00 53.30 N ATOM 594 CA TYR A 39 8.217 9.355 -15.900 1.00 41.25 C ATOM 595 C TYR A 39 9.565 9.484 -16.635 1.00 74.04 C ATOM 596 O TYR A 39 10.013 8.555 -17.312 1.00 12.22 O ATOM 597 CB TYR A 39 8.033 7.930 -15.344 1.00 74.13 C ATOM 598 CG TYR A 39 8.938 7.604 -14.167 1.00 42.05 C ATOM 599 CD1 TYR A 39 8.678 8.134 -12.908 1.00 51.50 C ATOM 600 CD2 TYR A 39 10.049 6.778 -14.310 1.00 44.14 C ATOM 601 CE1 TYR A 39 9.497 7.855 -11.832 1.00 65.21 C ATOM 602 CE2 TYR A 39 10.871 6.492 -13.235 1.00 50.14 C ATOM 603 CZ TYR A 39 10.592 7.035 -11.999 1.00 62.24 C ATOM 604 OH TYR A 39 11.413 6.761 -10.925 1.00 5.44 O ATOM 0 H TYR A 39 6.537 8.904 -17.078 1.00 53.30 H new ATOM 0 HA TYR A 39 8.221 10.055 -15.064 1.00 41.25 H new ATOM 0 HB2 TYR A 39 6.995 7.802 -15.037 1.00 74.13 H new ATOM 0 HB3 TYR A 39 8.220 7.212 -16.143 1.00 74.13 H new ATOM 0 HD1 TYR A 39 7.820 8.775 -12.769 1.00 51.50 H new ATOM 0 HD2 TYR A 39 10.273 6.353 -15.277 1.00 44.14 H new ATOM 0 HE1 TYR A 39 9.280 8.278 -10.862 1.00 65.21 H new ATOM 0 HE2 TYR A 39 11.727 5.846 -13.363 1.00 50.14 H new ATOM 0 HH TYR A 39 11.772 5.853 -11.011 1.00 5.44 H new ATOM 614 N VAL A 40 10.198 10.652 -16.501 1.00 31.43 N ATOM 615 CA VAL A 40 11.459 10.951 -17.198 1.00 13.03 C ATOM 616 C VAL A 40 12.561 9.928 -16.863 1.00 52.32 C ATOM 617 O VAL A 40 13.380 9.578 -17.720 1.00 30.04 O ATOM 618 CB VAL A 40 11.959 12.382 -16.859 1.00 64.04 C ATOM 619 CG1 VAL A 40 13.229 12.720 -17.641 1.00 11.10 C ATOM 620 CG2 VAL A 40 10.862 13.415 -17.127 1.00 34.14 C ATOM 0 H VAL A 40 9.858 11.413 -15.913 1.00 31.43 H new ATOM 0 HA VAL A 40 11.247 10.888 -18.265 1.00 13.03 H new ATOM 0 HB VAL A 40 12.203 12.412 -15.797 1.00 64.04 H new ATOM 0 HG11 VAL A 40 13.557 13.727 -17.384 1.00 11.10 H new ATOM 0 HG12 VAL A 40 14.013 12.007 -17.387 1.00 11.10 H new ATOM 0 HG13 VAL A 40 13.023 12.667 -18.710 1.00 11.10 H new ATOM 0 HG21 VAL A 40 11.232 14.411 -16.883 1.00 34.14 H new ATOM 0 HG22 VAL A 40 10.579 13.381 -18.179 1.00 34.14 H new ATOM 0 HG23 VAL A 40 9.992 13.190 -16.510 1.00 34.14 H new ATOM 630 N GLY A 41 12.564 9.440 -15.620 1.00 21.23 N ATOM 631 CA GLY A 41 13.551 8.446 -15.195 1.00 65.51 C ATOM 632 C GLY A 41 13.593 7.209 -16.094 1.00 43.43 C ATOM 633 O GLY A 41 14.655 6.615 -16.302 1.00 54.12 O ATOM 0 H GLY A 41 11.900 9.714 -14.896 1.00 21.23 H new ATOM 0 HA2 GLY A 41 14.538 8.908 -15.179 1.00 65.51 H new ATOM 0 HA3 GLY A 41 13.328 8.137 -14.174 1.00 65.51 H new ATOM 637 N THR A 42 12.435 6.826 -16.634 1.00 62.03 N ATOM 638 CA THR A 42 12.341 5.681 -17.550 1.00 41.14 C ATOM 639 C THR A 42 13.259 5.856 -18.765 1.00 53.41 C ATOM 640 O THR A 42 14.098 5.004 -19.045 1.00 10.13 O ATOM 641 CB THR A 42 10.893 5.473 -18.063 1.00 4.40 C ATOM 642 OG1 THR A 42 10.001 5.249 -16.963 1.00 65.14 O ATOM 643 CG2 THR A 42 10.815 4.294 -19.029 1.00 63.34 C ATOM 0 H THR A 42 11.545 7.291 -16.454 1.00 62.03 H new ATOM 0 HA THR A 42 12.653 4.809 -16.975 1.00 41.14 H new ATOM 0 HB THR A 42 10.596 6.378 -18.593 1.00 4.40 H new ATOM 0 HG1 THR A 42 9.099 5.542 -17.209 1.00 65.14 H new ATOM 0 HG21 THR A 42 9.788 4.172 -19.372 1.00 63.34 H new ATOM 0 HG22 THR A 42 11.464 4.481 -19.885 1.00 63.34 H new ATOM 0 HG23 THR A 42 11.138 3.385 -18.521 1.00 63.34 H new ATOM 651 N TYR A 43 13.103 6.980 -19.465 1.00 61.23 N ATOM 652 CA TYR A 43 13.846 7.245 -20.707 1.00 45.12 C ATOM 653 C TYR A 43 15.364 7.178 -20.500 1.00 40.41 C ATOM 654 O TYR A 43 16.081 6.554 -21.286 1.00 64.33 O ATOM 655 CB TYR A 43 13.466 8.620 -21.268 1.00 63.25 C ATOM 656 CG TYR A 43 12.005 8.734 -21.662 1.00 43.44 C ATOM 657 CD1 TYR A 43 11.038 9.095 -20.730 1.00 21.44 C ATOM 658 CD2 TYR A 43 11.595 8.475 -22.965 1.00 44.14 C ATOM 659 CE1 TYR A 43 9.709 9.200 -21.087 1.00 62.31 C ATOM 660 CE2 TYR A 43 10.267 8.579 -23.328 1.00 31.43 C ATOM 661 CZ TYR A 43 9.329 8.939 -22.386 1.00 73.42 C ATOM 662 OH TYR A 43 8.008 9.048 -22.748 1.00 22.22 O ATOM 0 H TYR A 43 12.465 7.729 -19.194 1.00 61.23 H new ATOM 0 HA TYR A 43 13.571 6.465 -21.417 1.00 45.12 H new ATOM 0 HB2 TYR A 43 13.693 9.382 -20.523 1.00 63.25 H new ATOM 0 HB3 TYR A 43 14.086 8.831 -22.139 1.00 63.25 H new ATOM 0 HD1 TYR A 43 11.332 9.296 -19.710 1.00 21.44 H new ATOM 0 HD2 TYR A 43 12.327 8.188 -23.705 1.00 44.14 H new ATOM 0 HE1 TYR A 43 8.971 9.485 -20.352 1.00 62.31 H new ATOM 0 HE2 TYR A 43 9.965 8.379 -24.346 1.00 31.43 H new ATOM 0 HH TYR A 43 7.528 9.579 -22.079 1.00 22.22 H new ATOM 672 N TYR A 44 15.848 7.825 -19.442 1.00 2.04 N ATOM 673 CA TYR A 44 17.284 7.865 -19.153 1.00 41.44 C ATOM 674 C TYR A 44 17.867 6.451 -18.990 1.00 12.53 C ATOM 675 O TYR A 44 18.821 6.077 -19.670 1.00 71.42 O ATOM 676 CB TYR A 44 17.550 8.691 -17.886 1.00 34.02 C ATOM 677 CG TYR A 44 19.028 8.883 -17.576 1.00 72.21 C ATOM 678 CD1 TYR A 44 19.748 9.928 -18.151 1.00 4.00 C ATOM 679 CD2 TYR A 44 19.703 8.021 -16.714 1.00 10.30 C ATOM 680 CE1 TYR A 44 21.091 10.106 -17.878 1.00 22.04 C ATOM 681 CE2 TYR A 44 21.046 8.195 -16.439 1.00 64.23 C ATOM 682 CZ TYR A 44 21.734 9.239 -17.022 1.00 22.43 C ATOM 683 OH TYR A 44 23.072 9.416 -16.747 1.00 53.34 O ATOM 0 H TYR A 44 15.269 8.329 -18.770 1.00 2.04 H new ATOM 0 HA TYR A 44 17.779 8.338 -20.002 1.00 41.44 H new ATOM 0 HB2 TYR A 44 17.082 9.669 -17.996 1.00 34.02 H new ATOM 0 HB3 TYR A 44 17.071 8.202 -17.038 1.00 34.02 H new ATOM 0 HD1 TYR A 44 19.248 10.611 -18.822 1.00 4.00 H new ATOM 0 HD2 TYR A 44 19.168 7.204 -16.253 1.00 10.30 H new ATOM 0 HE1 TYR A 44 21.634 10.921 -18.334 1.00 22.04 H new ATOM 0 HE2 TYR A 44 21.555 7.516 -15.770 1.00 64.23 H new ATOM 0 HH TYR A 44 23.373 8.721 -16.125 1.00 53.34 H new ATOM 693 N HIS A 45 17.273 5.665 -18.096 1.00 63.54 N ATOM 694 CA HIS A 45 17.788 4.324 -17.786 1.00 53.15 C ATOM 695 C HIS A 45 17.503 3.316 -18.913 1.00 22.34 C ATOM 696 O HIS A 45 18.297 2.406 -19.154 1.00 54.33 O ATOM 697 CB HIS A 45 17.206 3.834 -16.457 1.00 74.11 C ATOM 698 CG HIS A 45 17.645 4.667 -15.291 1.00 64.53 C ATOM 699 ND1 HIS A 45 18.684 4.308 -14.462 1.00 31.23 N ATOM 700 CD2 HIS A 45 17.203 5.864 -14.834 1.00 21.31 C ATOM 701 CE1 HIS A 45 18.861 5.244 -13.552 1.00 61.04 C ATOM 702 NE2 HIS A 45 17.980 6.198 -13.754 1.00 10.52 N ATOM 0 H HIS A 45 16.438 5.927 -17.573 1.00 63.54 H new ATOM 0 HA HIS A 45 18.872 4.398 -17.697 1.00 53.15 H new ATOM 0 HB2 HIS A 45 16.118 3.844 -16.516 1.00 74.11 H new ATOM 0 HB3 HIS A 45 17.507 2.799 -16.293 1.00 74.11 H new ATOM 0 HD2 HIS A 45 16.391 6.446 -15.244 1.00 21.31 H new ATOM 0 HE1 HIS A 45 19.606 5.230 -12.770 1.00 61.04 H new ATOM 0 HE2 HIS A 45 17.889 7.048 -13.198 1.00 10.52 H new ATOM 711 N LEU A 46 16.373 3.484 -19.600 1.00 41.41 N ATOM 712 CA LEU A 46 16.038 2.648 -20.759 1.00 3.03 C ATOM 713 C LEU A 46 17.065 2.848 -21.885 1.00 53.24 C ATOM 714 O LEU A 46 17.503 1.887 -22.523 1.00 51.53 O ATOM 715 CB LEU A 46 14.618 2.972 -21.259 1.00 70.32 C ATOM 716 CG LEU A 46 14.161 2.208 -22.513 1.00 12.25 C ATOM 717 CD1 LEU A 46 14.273 0.701 -22.306 1.00 24.31 C ATOM 718 CD2 LEU A 46 12.732 2.595 -22.891 1.00 53.11 C ATOM 0 H LEU A 46 15.672 4.191 -19.376 1.00 41.41 H new ATOM 0 HA LEU A 46 16.068 1.603 -20.452 1.00 3.03 H new ATOM 0 HB2 LEU A 46 13.913 2.765 -20.453 1.00 70.32 H new ATOM 0 HB3 LEU A 46 14.561 4.041 -21.466 1.00 70.32 H new ATOM 0 HG LEU A 46 14.821 2.486 -23.335 1.00 12.25 H new ATOM 0 HD11 LEU A 46 13.944 0.184 -23.208 1.00 24.31 H new ATOM 0 HD12 LEU A 46 15.310 0.439 -22.096 1.00 24.31 H new ATOM 0 HD13 LEU A 46 13.646 0.401 -21.467 1.00 24.31 H new ATOM 0 HD21 LEU A 46 12.429 2.043 -23.781 1.00 53.11 H new ATOM 0 HD22 LEU A 46 12.060 2.354 -22.068 1.00 53.11 H new ATOM 0 HD23 LEU A 46 12.687 3.665 -23.095 1.00 53.11 H new ATOM 730 N GLY A 47 17.455 4.103 -22.108 1.00 64.23 N ATOM 731 CA GLY A 47 18.494 4.407 -23.082 1.00 1.01 C ATOM 732 C GLY A 47 19.821 3.733 -22.746 1.00 32.40 C ATOM 733 O GLY A 47 20.443 3.109 -23.607 1.00 22.52 O ATOM 0 H GLY A 47 17.069 4.917 -21.630 1.00 64.23 H new ATOM 0 HA2 GLY A 47 18.167 4.086 -24.071 1.00 1.01 H new ATOM 0 HA3 GLY A 47 18.639 5.486 -23.129 1.00 1.01 H new ATOM 737 N LYS A 48 20.247 3.845 -21.483 1.00 64.22 N ATOM 738 CA LYS A 48 21.488 3.204 -21.019 1.00 25.14 C ATOM 739 C LYS A 48 21.439 1.681 -21.242 1.00 74.42 C ATOM 740 O LYS A 48 22.457 1.046 -21.539 1.00 54.20 O ATOM 741 CB LYS A 48 21.726 3.500 -19.527 1.00 32.55 C ATOM 742 CG LYS A 48 21.660 4.983 -19.154 1.00 74.21 C ATOM 743 CD LYS A 48 22.721 5.833 -19.857 1.00 14.03 C ATOM 744 CE LYS A 48 24.120 5.640 -19.270 1.00 74.31 C ATOM 745 NZ LYS A 48 24.710 4.312 -19.593 1.00 50.11 N ATOM 0 H LYS A 48 19.753 4.372 -20.763 1.00 64.22 H new ATOM 0 HA LYS A 48 22.312 3.617 -21.601 1.00 25.14 H new ATOM 0 HB2 LYS A 48 20.985 2.958 -18.940 1.00 32.55 H new ATOM 0 HB3 LYS A 48 22.704 3.111 -19.244 1.00 32.55 H new ATOM 0 HG2 LYS A 48 20.672 5.369 -19.403 1.00 74.21 H new ATOM 0 HG3 LYS A 48 21.779 5.085 -18.075 1.00 74.21 H new ATOM 0 HD2 LYS A 48 22.739 5.580 -20.917 1.00 14.03 H new ATOM 0 HD3 LYS A 48 22.444 6.885 -19.785 1.00 14.03 H new ATOM 0 HE2 LYS A 48 24.777 6.424 -19.646 1.00 74.31 H new ATOM 0 HE3 LYS A 48 24.073 5.756 -18.187 1.00 74.31 H new ATOM 0 HZ1 LYS A 48 25.747 4.388 -19.610 1.00 50.11 H new ATOM 0 HZ2 LYS A 48 24.426 3.621 -18.870 1.00 50.11 H new ATOM 0 HZ3 LYS A 48 24.370 3.998 -20.525 1.00 50.11 H new ATOM 759 N LEU A 49 20.248 1.102 -21.096 1.00 35.34 N ATOM 760 CA LEU A 49 20.050 -0.332 -21.330 1.00 63.42 C ATOM 761 C LEU A 49 20.196 -0.671 -22.825 1.00 72.43 C ATOM 762 O LEU A 49 20.752 -1.713 -23.185 1.00 72.22 O ATOM 763 CB LEU A 49 18.676 -0.770 -20.796 1.00 62.52 C ATOM 764 CG LEU A 49 18.377 -2.281 -20.866 1.00 62.41 C ATOM 765 CD1 LEU A 49 19.506 -3.089 -20.224 1.00 64.33 C ATOM 766 CD2 LEU A 49 17.048 -2.592 -20.181 1.00 62.24 C ATOM 0 H LEU A 49 19.404 1.602 -20.817 1.00 35.34 H new ATOM 0 HA LEU A 49 20.821 -0.882 -20.791 1.00 63.42 H new ATOM 0 HB2 LEU A 49 18.593 -0.451 -19.757 1.00 62.52 H new ATOM 0 HB3 LEU A 49 17.905 -0.240 -21.355 1.00 62.52 H new ATOM 0 HG LEU A 49 18.306 -2.566 -21.916 1.00 62.41 H new ATOM 0 HD11 LEU A 49 19.273 -4.152 -20.285 1.00 64.33 H new ATOM 0 HD12 LEU A 49 20.440 -2.891 -20.750 1.00 64.33 H new ATOM 0 HD13 LEU A 49 19.611 -2.800 -19.178 1.00 64.33 H new ATOM 0 HD21 LEU A 49 16.851 -3.662 -20.239 1.00 62.24 H new ATOM 0 HD22 LEU A 49 17.098 -2.288 -19.135 1.00 62.24 H new ATOM 0 HD23 LEU A 49 16.246 -2.048 -20.679 1.00 62.24 H new ATOM 778 N TYR A 50 19.709 0.217 -23.695 1.00 15.41 N ATOM 779 CA TYR A 50 19.914 0.065 -25.142 1.00 0.13 C ATOM 780 C TYR A 50 21.406 0.173 -25.503 1.00 1.23 C ATOM 781 O TYR A 50 21.918 -0.628 -26.289 1.00 73.33 O ATOM 782 CB TYR A 50 19.105 1.102 -25.938 1.00 63.53 C ATOM 783 CG TYR A 50 17.614 0.819 -25.994 1.00 11.35 C ATOM 784 CD1 TYR A 50 17.136 -0.417 -26.423 1.00 11.24 C ATOM 785 CD2 TYR A 50 16.686 1.787 -25.631 1.00 4.34 C ATOM 786 CE1 TYR A 50 15.779 -0.677 -26.486 1.00 50.32 C ATOM 787 CE2 TYR A 50 15.328 1.534 -25.695 1.00 73.12 C ATOM 788 CZ TYR A 50 14.880 0.301 -26.121 1.00 5.00 C ATOM 789 OH TYR A 50 13.525 0.047 -26.186 1.00 70.45 O ATOM 0 H TYR A 50 19.174 1.043 -23.428 1.00 15.41 H new ATOM 0 HA TYR A 50 19.558 -0.929 -25.414 1.00 0.13 H new ATOM 0 HB2 TYR A 50 19.260 2.086 -25.495 1.00 63.53 H new ATOM 0 HB3 TYR A 50 19.494 1.146 -26.955 1.00 63.53 H new ATOM 0 HD1 TYR A 50 17.837 -1.186 -26.712 1.00 11.24 H new ATOM 0 HD2 TYR A 50 17.031 2.753 -25.293 1.00 4.34 H new ATOM 0 HE1 TYR A 50 15.426 -1.642 -26.820 1.00 50.32 H new ATOM 0 HE2 TYR A 50 14.620 2.299 -25.412 1.00 73.12 H new ATOM 0 HH TYR A 50 13.029 0.840 -25.893 1.00 70.45 H new ATOM 799 N GLU A 51 22.097 1.163 -24.924 1.00 75.12 N ATOM 800 CA GLU A 51 23.553 1.310 -25.104 1.00 24.44 C ATOM 801 C GLU A 51 24.273 -0.014 -24.784 1.00 43.12 C ATOM 802 O GLU A 51 25.145 -0.470 -25.529 1.00 45.03 O ATOM 803 CB GLU A 51 24.104 2.422 -24.187 1.00 13.44 C ATOM 804 CG GLU A 51 23.498 3.809 -24.423 1.00 20.21 C ATOM 805 CD GLU A 51 24.011 4.865 -23.440 1.00 43.23 C ATOM 806 OE1 GLU A 51 24.539 4.493 -22.368 1.00 64.13 O ATOM 807 OE2 GLU A 51 23.880 6.077 -23.725 1.00 14.53 O ATOM 0 H GLU A 51 21.675 1.875 -24.327 1.00 75.12 H new ATOM 0 HA GLU A 51 23.737 1.578 -26.144 1.00 24.44 H new ATOM 0 HB2 GLU A 51 23.930 2.137 -23.149 1.00 13.44 H new ATOM 0 HB3 GLU A 51 25.184 2.485 -24.324 1.00 13.44 H new ATOM 0 HG2 GLU A 51 23.723 4.129 -25.440 1.00 20.21 H new ATOM 0 HG3 GLU A 51 22.413 3.743 -24.342 1.00 20.21 H new ATOM 814 N ARG A 52 23.870 -0.632 -23.674 1.00 74.21 N ATOM 815 CA ARG A 52 24.444 -1.904 -23.215 1.00 20.42 C ATOM 816 C ARG A 52 24.269 -3.028 -24.257 1.00 14.11 C ATOM 817 O ARG A 52 25.132 -3.896 -24.400 1.00 52.35 O ATOM 818 CB ARG A 52 23.779 -2.315 -21.892 1.00 62.42 C ATOM 819 CG ARG A 52 24.405 -3.541 -21.236 1.00 14.32 C ATOM 820 CD ARG A 52 23.653 -3.958 -19.974 1.00 74.01 C ATOM 821 NE ARG A 52 24.314 -5.063 -19.287 1.00 72.21 N ATOM 822 CZ ARG A 52 23.695 -6.039 -18.682 1.00 44.01 C ATOM 823 NH1 ARG A 52 22.400 -6.093 -18.650 1.00 10.21 N ATOM 824 NH2 ARG A 52 24.379 -6.960 -18.091 1.00 61.30 N ATOM 0 H ARG A 52 23.137 -0.268 -23.065 1.00 74.21 H new ATOM 0 HA ARG A 52 25.514 -1.755 -23.070 1.00 20.42 H new ATOM 0 HB2 ARG A 52 23.831 -1.478 -21.196 1.00 62.42 H new ATOM 0 HB3 ARG A 52 22.723 -2.513 -22.075 1.00 62.42 H new ATOM 0 HG2 ARG A 52 24.411 -4.369 -21.945 1.00 14.32 H new ATOM 0 HG3 ARG A 52 25.444 -3.328 -20.986 1.00 14.32 H new ATOM 0 HD2 ARG A 52 23.575 -3.105 -19.299 1.00 74.01 H new ATOM 0 HD3 ARG A 52 22.636 -4.250 -20.237 1.00 74.01 H new ATOM 0 HE ARG A 52 25.334 -5.073 -19.279 1.00 72.21 H new ATOM 0 HH11 ARG A 52 21.848 -5.365 -19.103 1.00 10.21 H new ATOM 0 HH12 ARG A 52 21.933 -6.864 -18.172 1.00 10.21 H new ATOM 0 HH21 ARG A 52 25.398 -6.922 -18.098 1.00 61.30 H new ATOM 0 HH22 ARG A 52 23.900 -7.726 -17.616 1.00 61.30 H new ATOM 838 N LEU A 53 23.149 -3.002 -24.977 1.00 33.23 N ATOM 839 CA LEU A 53 22.821 -4.049 -25.958 1.00 24.13 C ATOM 840 C LEU A 53 23.247 -3.660 -27.386 1.00 40.00 C ATOM 841 O LEU A 53 22.719 -4.200 -28.361 1.00 74.14 O ATOM 842 CB LEU A 53 21.311 -4.332 -25.923 1.00 61.43 C ATOM 843 CG LEU A 53 20.762 -4.818 -24.570 1.00 44.14 C ATOM 844 CD1 LEU A 53 19.252 -5.037 -24.647 1.00 11.24 C ATOM 845 CD2 LEU A 53 21.473 -6.097 -24.125 1.00 42.51 C ATOM 0 H LEU A 53 22.447 -2.266 -24.903 1.00 33.23 H new ATOM 0 HA LEU A 53 23.377 -4.946 -25.684 1.00 24.13 H new ATOM 0 HB2 LEU A 53 20.781 -3.422 -26.205 1.00 61.43 H new ATOM 0 HB3 LEU A 53 21.081 -5.082 -26.680 1.00 61.43 H new ATOM 0 HG LEU A 53 20.956 -4.045 -23.826 1.00 44.14 H new ATOM 0 HD11 LEU A 53 18.884 -5.380 -23.680 1.00 11.24 H new ATOM 0 HD12 LEU A 53 18.761 -4.100 -24.910 1.00 11.24 H new ATOM 0 HD13 LEU A 53 19.031 -5.787 -25.406 1.00 11.24 H new ATOM 0 HD21 LEU A 53 21.069 -6.423 -23.166 1.00 42.51 H new ATOM 0 HD22 LEU A 53 21.316 -6.878 -24.869 1.00 42.51 H new ATOM 0 HD23 LEU A 53 22.541 -5.903 -24.022 1.00 42.51 H new ATOM 857 N ASP A 54 24.198 -2.722 -27.499 1.00 12.43 N ATOM 858 CA ASP A 54 24.707 -2.252 -28.804 1.00 14.22 C ATOM 859 C ASP A 54 23.628 -1.472 -29.589 1.00 31.34 C ATOM 860 O ASP A 54 23.844 -1.040 -30.725 1.00 1.10 O ATOM 861 CB ASP A 54 25.241 -3.444 -29.625 1.00 64.22 C ATOM 862 CG ASP A 54 25.957 -3.022 -30.900 1.00 63.51 C ATOM 863 OD1 ASP A 54 26.960 -2.283 -30.806 1.00 61.02 O ATOM 864 OD2 ASP A 54 25.533 -3.437 -32.002 1.00 34.44 O ATOM 0 H ASP A 54 24.636 -2.268 -26.697 1.00 12.43 H new ATOM 0 HA ASP A 54 25.529 -1.560 -28.619 1.00 14.22 H new ATOM 0 HB2 ASP A 54 25.926 -4.025 -29.007 1.00 64.22 H new ATOM 0 HB3 ASP A 54 24.410 -4.100 -29.883 1.00 64.22 H new ATOM 869 N ARG A 55 22.479 -1.250 -28.955 1.00 22.41 N ATOM 870 CA ARG A 55 21.357 -0.547 -29.584 1.00 75.42 C ATOM 871 C ARG A 55 21.511 0.978 -29.451 1.00 0.05 C ATOM 872 O ARG A 55 20.560 1.684 -29.111 1.00 21.11 O ATOM 873 CB ARG A 55 20.034 -1.005 -28.951 1.00 12.40 C ATOM 874 CG ARG A 55 19.777 -2.506 -29.062 1.00 24.11 C ATOM 875 CD ARG A 55 19.742 -2.976 -30.515 1.00 5.32 C ATOM 876 NE ARG A 55 18.779 -2.219 -31.310 1.00 23.30 N ATOM 877 CZ ARG A 55 18.170 -2.671 -32.369 1.00 3.10 C ATOM 878 NH1 ARG A 55 18.390 -3.870 -32.803 1.00 73.53 N ATOM 879 NH2 ARG A 55 17.342 -1.908 -32.999 1.00 60.55 N ATOM 0 H ARG A 55 22.297 -1.549 -27.997 1.00 22.41 H new ATOM 0 HA ARG A 55 21.352 -0.792 -30.646 1.00 75.42 H new ATOM 0 HB2 ARG A 55 20.031 -0.724 -27.898 1.00 12.40 H new ATOM 0 HB3 ARG A 55 19.212 -0.470 -29.426 1.00 12.40 H new ATOM 0 HG2 ARG A 55 20.556 -3.048 -28.525 1.00 24.11 H new ATOM 0 HG3 ARG A 55 18.830 -2.748 -28.580 1.00 24.11 H new ATOM 0 HD2 ARG A 55 20.735 -2.874 -30.953 1.00 5.32 H new ATOM 0 HD3 ARG A 55 19.487 -4.035 -30.548 1.00 5.32 H new ATOM 0 HE ARG A 55 18.568 -1.266 -31.014 1.00 23.30 H new ATOM 0 HH11 ARG A 55 19.049 -4.476 -32.314 1.00 73.53 H new ATOM 0 HH12 ARG A 55 17.905 -4.209 -33.634 1.00 73.53 H new ATOM 0 HH21 ARG A 55 17.169 -0.959 -32.667 1.00 60.55 H new ATOM 0 HH22 ARG A 55 16.861 -2.254 -33.829 1.00 60.55 H new ATOM 893 N THR A 56 22.715 1.472 -29.745 1.00 23.34 N ATOM 894 CA THR A 56 23.032 2.906 -29.658 1.00 32.05 C ATOM 895 C THR A 56 21.995 3.765 -30.396 1.00 53.04 C ATOM 896 O THR A 56 21.535 4.784 -29.882 1.00 53.51 O ATOM 897 CB THR A 56 24.433 3.202 -30.252 1.00 31.15 C ATOM 898 OG1 THR A 56 25.415 2.353 -29.642 1.00 52.45 O ATOM 899 CG2 THR A 56 24.831 4.661 -30.044 1.00 11.34 C ATOM 0 H THR A 56 23.499 0.894 -30.050 1.00 23.34 H new ATOM 0 HA THR A 56 23.017 3.163 -28.599 1.00 32.05 H new ATOM 0 HB THR A 56 24.386 3.006 -31.323 1.00 31.15 H new ATOM 0 HG1 THR A 56 26.297 2.545 -30.024 1.00 52.45 H new ATOM 0 HG21 THR A 56 25.818 4.833 -30.472 1.00 11.34 H new ATOM 0 HG22 THR A 56 24.105 5.310 -30.534 1.00 11.34 H new ATOM 0 HG23 THR A 56 24.855 4.883 -28.977 1.00 11.34 H new ATOM 907 N ASP A 57 21.624 3.330 -31.598 1.00 4.31 N ATOM 908 CA ASP A 57 20.650 4.046 -32.429 1.00 65.40 C ATOM 909 C ASP A 57 19.310 4.237 -31.688 1.00 75.14 C ATOM 910 O ASP A 57 18.758 5.342 -31.645 1.00 21.25 O ATOM 911 CB ASP A 57 20.443 3.271 -33.737 1.00 73.12 C ATOM 912 CG ASP A 57 19.712 4.080 -34.792 1.00 24.41 C ATOM 913 OD1 ASP A 57 18.466 4.041 -34.824 1.00 2.21 O ATOM 914 OD2 ASP A 57 20.386 4.758 -35.598 1.00 42.05 O ATOM 0 H ASP A 57 21.986 2.477 -32.024 1.00 4.31 H new ATOM 0 HA ASP A 57 21.038 5.040 -32.651 1.00 65.40 H new ATOM 0 HB2 ASP A 57 21.413 2.964 -34.129 1.00 73.12 H new ATOM 0 HB3 ASP A 57 19.880 2.361 -33.529 1.00 73.12 H new ATOM 919 N ASP A 58 18.802 3.155 -31.098 1.00 33.40 N ATOM 920 CA ASP A 58 17.567 3.200 -30.305 1.00 2.44 C ATOM 921 C ASP A 58 17.730 4.085 -29.059 1.00 74.44 C ATOM 922 O ASP A 58 16.838 4.862 -28.716 1.00 34.34 O ATOM 923 CB ASP A 58 17.168 1.787 -29.877 1.00 70.02 C ATOM 924 CG ASP A 58 17.007 0.851 -31.058 1.00 31.24 C ATOM 925 OD1 ASP A 58 18.035 0.434 -31.629 1.00 32.10 O ATOM 926 OD2 ASP A 58 15.859 0.514 -31.410 1.00 3.40 O ATOM 0 H ASP A 58 19.228 2.230 -31.153 1.00 33.40 H new ATOM 0 HA ASP A 58 16.786 3.631 -30.931 1.00 2.44 H new ATOM 0 HB2 ASP A 58 17.924 1.388 -29.201 1.00 70.02 H new ATOM 0 HB3 ASP A 58 16.232 1.829 -29.320 1.00 70.02 H new ATOM 931 N ALA A 59 18.874 3.957 -28.384 1.00 75.42 N ATOM 932 CA ALA A 59 19.172 4.763 -27.193 1.00 54.11 C ATOM 933 C ALA A 59 19.047 6.264 -27.487 1.00 54.44 C ATOM 934 O ALA A 59 18.371 6.997 -26.761 1.00 22.24 O ATOM 935 CB ALA A 59 20.570 4.440 -26.675 1.00 1.30 C ATOM 0 H ALA A 59 19.612 3.302 -28.641 1.00 75.42 H new ATOM 0 HA ALA A 59 18.440 4.511 -26.425 1.00 54.11 H new ATOM 0 HB1 ALA A 59 20.779 5.044 -25.792 1.00 1.30 H new ATOM 0 HB2 ALA A 59 20.626 3.383 -26.414 1.00 1.30 H new ATOM 0 HB3 ALA A 59 21.305 4.662 -27.449 1.00 1.30 H new ATOM 941 N ILE A 60 19.692 6.706 -28.567 1.00 34.31 N ATOM 942 CA ILE A 60 19.646 8.111 -28.992 1.00 30.43 C ATOM 943 C ILE A 60 18.195 8.605 -29.156 1.00 41.22 C ATOM 944 O ILE A 60 17.834 9.677 -28.662 1.00 65.14 O ATOM 945 CB ILE A 60 20.413 8.309 -30.325 1.00 3.24 C ATOM 946 CG1 ILE A 60 21.873 7.841 -30.178 1.00 72.24 C ATOM 947 CG2 ILE A 60 20.361 9.771 -30.769 1.00 54.54 C ATOM 948 CD1 ILE A 60 22.652 7.841 -31.476 1.00 75.15 C ATOM 0 H ILE A 60 20.258 6.108 -29.170 1.00 34.31 H new ATOM 0 HA ILE A 60 20.126 8.699 -28.210 1.00 30.43 H new ATOM 0 HB ILE A 60 19.929 7.704 -31.092 1.00 3.24 H new ATOM 0 HG12 ILE A 60 22.381 8.487 -29.461 1.00 72.24 H new ATOM 0 HG13 ILE A 60 21.881 6.834 -29.761 1.00 72.24 H new ATOM 0 HG21 ILE A 60 20.906 9.886 -31.706 1.00 54.54 H new ATOM 0 HG22 ILE A 60 19.323 10.071 -30.913 1.00 54.54 H new ATOM 0 HG23 ILE A 60 20.817 10.400 -30.005 1.00 54.54 H new ATOM 0 HD11 ILE A 60 23.670 7.499 -31.289 1.00 75.15 H new ATOM 0 HD12 ILE A 60 22.170 7.173 -32.190 1.00 75.15 H new ATOM 0 HD13 ILE A 60 22.677 8.851 -31.885 1.00 75.15 H new ATOM 960 N ASP A 61 17.368 7.809 -29.837 1.00 41.43 N ATOM 961 CA ASP A 61 15.950 8.138 -30.034 1.00 14.42 C ATOM 962 C ASP A 61 15.188 8.149 -28.693 1.00 61.23 C ATOM 963 O ASP A 61 14.319 8.996 -28.461 1.00 63.40 O ATOM 964 CB ASP A 61 15.312 7.136 -31.005 1.00 53.53 C ATOM 965 CG ASP A 61 13.880 7.501 -31.356 1.00 11.01 C ATOM 966 OD1 ASP A 61 13.682 8.317 -32.278 1.00 13.43 O ATOM 967 OD2 ASP A 61 12.948 6.984 -30.708 1.00 33.50 O ATOM 0 H ASP A 61 17.655 6.928 -30.264 1.00 41.43 H new ATOM 0 HA ASP A 61 15.886 9.139 -30.461 1.00 14.42 H new ATOM 0 HB2 ASP A 61 15.906 7.090 -31.918 1.00 53.53 H new ATOM 0 HB3 ASP A 61 15.332 6.141 -30.561 1.00 53.53 H new ATOM 972 N THR A 62 15.529 7.205 -27.814 1.00 61.51 N ATOM 973 CA THR A 62 14.934 7.138 -26.469 1.00 71.30 C ATOM 974 C THR A 62 15.163 8.450 -25.707 1.00 70.20 C ATOM 975 O THR A 62 14.240 9.008 -25.102 1.00 72.44 O ATOM 976 CB THR A 62 15.518 5.964 -25.638 1.00 62.14 C ATOM 977 OG1 THR A 62 15.314 4.720 -26.323 1.00 4.45 O ATOM 978 CG2 THR A 62 14.876 5.887 -24.255 1.00 21.15 C ATOM 0 H THR A 62 16.214 6.474 -28.005 1.00 61.51 H new ATOM 0 HA THR A 62 13.865 6.972 -26.605 1.00 71.30 H new ATOM 0 HB THR A 62 16.586 6.147 -25.516 1.00 62.14 H new ATOM 0 HG1 THR A 62 15.822 4.721 -27.161 1.00 4.45 H new ATOM 0 HG21 THR A 62 15.307 5.054 -23.699 1.00 21.15 H new ATOM 0 HG22 THR A 62 15.060 6.817 -23.716 1.00 21.15 H new ATOM 0 HG23 THR A 62 13.802 5.735 -24.360 1.00 21.15 H new ATOM 986 N TYR A 63 16.400 8.947 -25.749 1.00 14.42 N ATOM 987 CA TYR A 63 16.734 10.236 -25.135 1.00 53.35 C ATOM 988 C TYR A 63 16.014 11.388 -25.850 1.00 73.02 C ATOM 989 O TYR A 63 15.595 12.349 -25.218 1.00 3.42 O ATOM 990 CB TYR A 63 18.250 10.476 -25.163 1.00 73.35 C ATOM 991 CG TYR A 63 19.055 9.399 -24.460 1.00 65.24 C ATOM 992 CD1 TYR A 63 18.784 9.048 -23.140 1.00 71.41 C ATOM 993 CD2 TYR A 63 20.082 8.729 -25.116 1.00 3.01 C ATOM 994 CE1 TYR A 63 19.512 8.065 -22.499 1.00 2.52 C ATOM 995 CE2 TYR A 63 20.812 7.744 -24.481 1.00 41.43 C ATOM 996 CZ TYR A 63 20.523 7.417 -23.174 1.00 15.21 C ATOM 997 OH TYR A 63 21.250 6.439 -22.539 1.00 22.20 O ATOM 0 H TYR A 63 17.186 8.479 -26.200 1.00 14.42 H new ATOM 0 HA TYR A 63 16.400 10.204 -24.098 1.00 53.35 H new ATOM 0 HB2 TYR A 63 18.578 10.543 -26.200 1.00 73.35 H new ATOM 0 HB3 TYR A 63 18.464 11.438 -24.698 1.00 73.35 H new ATOM 0 HD1 TYR A 63 17.991 9.553 -22.608 1.00 71.41 H new ATOM 0 HD2 TYR A 63 20.313 8.984 -26.140 1.00 3.01 H new ATOM 0 HE1 TYR A 63 19.290 7.806 -21.474 1.00 2.52 H new ATOM 0 HE2 TYR A 63 21.605 7.233 -25.006 1.00 41.43 H new ATOM 0 HH TYR A 63 22.180 6.470 -22.848 1.00 22.20 H new ATOM 1007 N ALA A 64 15.868 11.271 -27.171 1.00 10.13 N ATOM 1008 CA ALA A 64 15.190 12.295 -27.978 1.00 1.04 C ATOM 1009 C ALA A 64 13.757 12.556 -27.486 1.00 11.02 C ATOM 1010 O ALA A 64 13.346 13.706 -27.318 1.00 11.12 O ATOM 1011 CB ALA A 64 15.184 11.885 -29.448 1.00 22.54 C ATOM 0 H ALA A 64 16.211 10.475 -27.709 1.00 10.13 H new ATOM 0 HA ALA A 64 15.746 13.226 -27.868 1.00 1.04 H new ATOM 0 HB1 ALA A 64 14.679 12.651 -30.037 1.00 22.54 H new ATOM 0 HB2 ALA A 64 16.210 11.775 -29.799 1.00 22.54 H new ATOM 0 HB3 ALA A 64 14.658 10.937 -29.559 1.00 22.54 H new ATOM 1017 N GLN A 65 12.996 11.485 -27.261 1.00 33.04 N ATOM 1018 CA GLN A 65 11.642 11.609 -26.709 1.00 73.00 C ATOM 1019 C GLN A 65 11.713 12.064 -25.240 1.00 63.53 C ATOM 1020 O GLN A 65 10.892 12.861 -24.773 1.00 31.10 O ATOM 1021 CB GLN A 65 10.885 10.269 -26.822 1.00 12.02 C ATOM 1022 CG GLN A 65 9.430 10.411 -27.273 1.00 5.44 C ATOM 1023 CD GLN A 65 8.549 11.184 -26.298 1.00 33.02 C ATOM 1024 OE1 GLN A 65 7.636 11.893 -26.705 1.00 65.14 O ATOM 1025 NE2 GLN A 65 8.784 11.029 -25.010 1.00 14.24 N ATOM 0 H GLN A 65 13.289 10.527 -27.450 1.00 33.04 H new ATOM 0 HA GLN A 65 11.097 12.358 -27.284 1.00 73.00 H new ATOM 0 HB2 GLN A 65 11.411 9.625 -27.526 1.00 12.02 H new ATOM 0 HB3 GLN A 65 10.907 9.768 -25.854 1.00 12.02 H new ATOM 0 HG2 GLN A 65 9.408 10.911 -28.241 1.00 5.44 H new ATOM 0 HG3 GLN A 65 9.007 9.417 -27.418 1.00 5.44 H new ATOM 0 HE21 GLN A 65 9.551 10.433 -24.700 1.00 14.24 H new ATOM 0 HE22 GLN A 65 8.199 11.505 -24.324 1.00 14.24 H new ATOM 1034 N GLY A 66 12.709 11.547 -24.519 1.00 10.31 N ATOM 1035 CA GLY A 66 12.941 11.963 -23.142 1.00 22.22 C ATOM 1036 C GLY A 66 13.165 13.467 -23.014 1.00 52.21 C ATOM 1037 O GLY A 66 12.699 14.088 -22.061 1.00 11.13 O ATOM 0 H GLY A 66 13.362 10.844 -24.866 1.00 10.31 H new ATOM 0 HA2 GLY A 66 12.087 11.673 -22.530 1.00 22.22 H new ATOM 0 HA3 GLY A 66 13.809 11.435 -22.748 1.00 22.22 H new ATOM 1041 N ILE A 67 13.876 14.047 -23.983 1.00 35.12 N ATOM 1042 CA ILE A 67 14.127 15.494 -24.021 1.00 51.33 C ATOM 1043 C ILE A 67 12.814 16.290 -23.952 1.00 5.35 C ATOM 1044 O ILE A 67 12.711 17.276 -23.217 1.00 52.35 O ATOM 1045 CB ILE A 67 14.912 15.888 -25.307 1.00 4.21 C ATOM 1046 CG1 ILE A 67 16.359 15.366 -25.235 1.00 51.41 C ATOM 1047 CG2 ILE A 67 14.891 17.402 -25.535 1.00 33.21 C ATOM 1048 CD1 ILE A 67 17.182 15.659 -26.475 1.00 73.23 C ATOM 0 H ILE A 67 14.293 13.533 -24.760 1.00 35.12 H new ATOM 0 HA ILE A 67 14.730 15.742 -23.147 1.00 51.33 H new ATOM 0 HB ILE A 67 14.416 15.421 -26.158 1.00 4.21 H new ATOM 0 HG12 ILE A 67 16.852 15.810 -24.370 1.00 51.41 H new ATOM 0 HG13 ILE A 67 16.338 14.289 -25.071 1.00 51.41 H new ATOM 0 HG21 ILE A 67 15.448 17.641 -26.441 1.00 33.21 H new ATOM 0 HG22 ILE A 67 13.860 17.739 -25.643 1.00 33.21 H new ATOM 0 HG23 ILE A 67 15.350 17.905 -24.683 1.00 33.21 H new ATOM 0 HD11 ILE A 67 18.188 15.260 -26.347 1.00 73.23 H new ATOM 0 HD12 ILE A 67 16.714 15.191 -27.341 1.00 73.23 H new ATOM 0 HD13 ILE A 67 17.236 16.737 -26.630 1.00 73.23 H new ATOM 1060 N GLU A 68 11.810 15.843 -24.707 1.00 4.33 N ATOM 1061 CA GLU A 68 10.503 16.507 -24.727 1.00 14.11 C ATOM 1062 C GLU A 68 9.863 16.521 -23.331 1.00 33.12 C ATOM 1063 O GLU A 68 9.587 17.581 -22.771 1.00 43.13 O ATOM 1064 CB GLU A 68 9.564 15.789 -25.706 1.00 61.41 C ATOM 1065 CG GLU A 68 10.106 15.682 -27.126 1.00 11.24 C ATOM 1066 CD GLU A 68 10.290 17.035 -27.797 1.00 75.25 C ATOM 1067 OE1 GLU A 68 9.281 17.736 -28.026 1.00 33.33 O ATOM 1068 OE2 GLU A 68 11.445 17.405 -28.106 1.00 5.41 O ATOM 0 H GLU A 68 11.875 15.025 -25.313 1.00 4.33 H new ATOM 0 HA GLU A 68 10.658 17.537 -25.049 1.00 14.11 H new ATOM 0 HB2 GLU A 68 9.362 14.786 -25.329 1.00 61.41 H new ATOM 0 HB3 GLU A 68 8.611 16.317 -25.732 1.00 61.41 H new ATOM 0 HG2 GLU A 68 11.063 15.160 -27.105 1.00 11.24 H new ATOM 0 HG3 GLU A 68 9.425 15.076 -27.724 1.00 11.24 H new ATOM 1075 N VAL A 69 9.681 15.337 -22.748 1.00 43.30 N ATOM 1076 CA VAL A 69 9.019 15.220 -21.440 1.00 73.42 C ATOM 1077 C VAL A 69 9.886 15.793 -20.303 1.00 12.24 C ATOM 1078 O VAL A 69 9.368 16.257 -19.286 1.00 74.42 O ATOM 1079 CB VAL A 69 8.637 13.751 -21.127 1.00 50.13 C ATOM 1080 CG1 VAL A 69 7.609 13.238 -22.136 1.00 51.25 C ATOM 1081 CG2 VAL A 69 9.875 12.857 -21.113 1.00 4.30 C ATOM 0 H VAL A 69 9.978 14.449 -23.153 1.00 43.30 H new ATOM 0 HA VAL A 69 8.105 15.812 -21.500 1.00 73.42 H new ATOM 0 HB VAL A 69 8.189 13.720 -20.134 1.00 50.13 H new ATOM 0 HG11 VAL A 69 7.352 12.205 -21.901 1.00 51.25 H new ATOM 0 HG12 VAL A 69 6.712 13.855 -22.087 1.00 51.25 H new ATOM 0 HG13 VAL A 69 8.029 13.288 -23.141 1.00 51.25 H new ATOM 0 HG21 VAL A 69 9.581 11.831 -20.891 1.00 4.30 H new ATOM 0 HG22 VAL A 69 10.360 12.892 -22.088 1.00 4.30 H new ATOM 0 HG23 VAL A 69 10.569 13.208 -20.350 1.00 4.30 H new ATOM 1091 N ALA A 70 11.206 15.783 -20.491 1.00 32.32 N ATOM 1092 CA ALA A 70 12.136 16.335 -19.498 1.00 4.21 C ATOM 1093 C ALA A 70 11.948 17.849 -19.332 1.00 31.22 C ATOM 1094 O ALA A 70 11.828 18.349 -18.217 1.00 3.23 O ATOM 1095 CB ALA A 70 13.580 16.022 -19.882 1.00 64.34 C ATOM 0 H ALA A 70 11.658 15.399 -21.321 1.00 32.32 H new ATOM 0 HA ALA A 70 11.914 15.862 -18.541 1.00 4.21 H new ATOM 0 HB1 ALA A 70 14.254 16.439 -19.134 1.00 64.34 H new ATOM 0 HB2 ALA A 70 13.717 14.942 -19.932 1.00 64.34 H new ATOM 0 HB3 ALA A 70 13.801 16.461 -20.855 1.00 64.34 H new ATOM 1101 N ARG A 71 11.914 18.571 -20.448 1.00 11.13 N ATOM 1102 CA ARG A 71 11.774 20.034 -20.416 1.00 43.35 C ATOM 1103 C ARG A 71 10.312 20.477 -20.192 1.00 24.12 C ATOM 1104 O ARG A 71 10.059 21.476 -19.516 1.00 15.52 O ATOM 1105 CB ARG A 71 12.330 20.648 -21.709 1.00 44.44 C ATOM 1106 CG ARG A 71 11.616 20.184 -22.973 1.00 43.04 C ATOM 1107 CD ARG A 71 12.301 20.691 -24.236 1.00 3.51 C ATOM 1108 NE ARG A 71 12.388 22.148 -24.275 1.00 3.14 N ATOM 1109 CZ ARG A 71 12.756 22.830 -25.325 1.00 61.14 C ATOM 1110 NH1 ARG A 71 13.039 22.229 -26.436 1.00 21.20 N ATOM 1111 NH2 ARG A 71 12.836 24.116 -25.263 1.00 21.10 N ATOM 0 H ARG A 71 11.981 18.174 -21.385 1.00 11.13 H new ATOM 0 HA ARG A 71 12.352 20.398 -19.567 1.00 43.35 H new ATOM 0 HB2 ARG A 71 12.260 21.734 -21.643 1.00 44.44 H new ATOM 0 HB3 ARG A 71 13.388 20.401 -21.790 1.00 44.44 H new ATOM 0 HG2 ARG A 71 11.583 19.095 -22.991 1.00 43.04 H new ATOM 0 HG3 ARG A 71 10.584 20.534 -22.955 1.00 43.04 H new ATOM 0 HD2 ARG A 71 13.304 20.268 -24.297 1.00 3.51 H new ATOM 0 HD3 ARG A 71 11.753 20.339 -25.110 1.00 3.51 H new ATOM 0 HE ARG A 71 12.146 22.665 -23.429 1.00 3.14 H new ATOM 0 HH11 ARG A 71 12.975 21.213 -26.497 1.00 21.20 H new ATOM 0 HH12 ARG A 71 13.326 22.772 -27.251 1.00 21.20 H new ATOM 0 HH21 ARG A 71 12.612 24.600 -24.393 1.00 21.10 H new ATOM 0 HH22 ARG A 71 13.124 24.649 -26.084 1.00 21.10 H new ATOM 1125 N GLU A 72 9.352 19.740 -20.757 1.00 41.51 N ATOM 1126 CA GLU A 72 7.929 20.083 -20.604 1.00 15.33 C ATOM 1127 C GLU A 72 7.408 19.741 -19.195 1.00 55.45 C ATOM 1128 O GLU A 72 6.750 20.559 -18.546 1.00 74.53 O ATOM 1129 CB GLU A 72 7.077 19.348 -21.654 1.00 4.13 C ATOM 1130 CG GLU A 72 7.476 19.620 -23.105 1.00 13.23 C ATOM 1131 CD GLU A 72 7.420 21.091 -23.486 1.00 4.43 C ATOM 1132 OE1 GLU A 72 6.323 21.680 -23.441 1.00 53.03 O ATOM 1133 OE2 GLU A 72 8.475 21.664 -23.838 1.00 24.44 O ATOM 0 H GLU A 72 9.528 18.908 -21.321 1.00 41.51 H new ATOM 0 HA GLU A 72 7.842 21.159 -20.752 1.00 15.33 H new ATOM 0 HB2 GLU A 72 7.142 18.276 -21.469 1.00 4.13 H new ATOM 0 HB3 GLU A 72 6.033 19.632 -21.519 1.00 4.13 H new ATOM 0 HG2 GLU A 72 8.487 19.249 -23.271 1.00 13.23 H new ATOM 0 HG3 GLU A 72 6.817 19.057 -23.766 1.00 13.23 H new ATOM 1140 N GLU A 73 7.709 18.529 -18.730 1.00 4.13 N ATOM 1141 CA GLU A 73 7.184 18.030 -17.450 1.00 13.44 C ATOM 1142 C GLU A 73 8.223 18.107 -16.318 1.00 5.11 C ATOM 1143 O GLU A 73 7.920 18.558 -15.212 1.00 3.13 O ATOM 1144 CB GLU A 73 6.717 16.575 -17.612 1.00 14.14 C ATOM 1145 CG GLU A 73 5.642 16.380 -18.676 1.00 55.44 C ATOM 1146 CD GLU A 73 4.357 17.132 -18.358 1.00 44.31 C ATOM 1147 OE1 GLU A 73 3.714 16.814 -17.336 1.00 53.54 O ATOM 1148 OE2 GLU A 73 3.981 18.047 -19.123 1.00 3.55 O ATOM 0 H GLU A 73 8.315 17.870 -19.219 1.00 4.13 H new ATOM 0 HA GLU A 73 6.347 18.671 -17.174 1.00 13.44 H new ATOM 0 HB2 GLU A 73 7.577 15.954 -17.862 1.00 14.14 H new ATOM 0 HB3 GLU A 73 6.335 16.219 -16.655 1.00 14.14 H new ATOM 0 HG2 GLU A 73 6.025 16.715 -19.640 1.00 55.44 H new ATOM 0 HG3 GLU A 73 5.421 15.317 -18.773 1.00 55.44 H new ATOM 1155 N GLY A 74 9.445 17.652 -16.596 1.00 14.15 N ATOM 1156 CA GLY A 74 10.480 17.574 -15.564 1.00 41.20 C ATOM 1157 C GLY A 74 11.143 18.916 -15.246 1.00 61.53 C ATOM 1158 O GLY A 74 10.561 19.763 -14.562 1.00 51.42 O ATOM 0 H GLY A 74 9.741 17.334 -17.519 1.00 14.15 H new ATOM 0 HA2 GLY A 74 10.039 17.173 -14.651 1.00 41.20 H new ATOM 0 HA3 GLY A 74 11.246 16.869 -15.885 1.00 41.20 H new ATOM 1162 N THR A 75 12.371 19.107 -15.736 1.00 12.44 N ATOM 1163 CA THR A 75 13.145 20.332 -15.467 1.00 51.02 C ATOM 1164 C THR A 75 14.416 20.414 -16.329 1.00 31.14 C ATOM 1165 O THR A 75 14.786 19.455 -17.011 1.00 53.51 O ATOM 1166 CB THR A 75 13.554 20.443 -13.974 1.00 71.23 C ATOM 1167 OG1 THR A 75 14.377 21.604 -13.767 1.00 32.51 O ATOM 1168 CG2 THR A 75 14.304 19.197 -13.510 1.00 53.33 C ATOM 0 H THR A 75 12.856 18.429 -16.324 1.00 12.44 H new ATOM 0 HA THR A 75 12.483 21.159 -15.724 1.00 51.02 H new ATOM 0 HB THR A 75 12.640 20.535 -13.387 1.00 71.23 H new ATOM 0 HG1 THR A 75 14.627 21.664 -12.821 1.00 32.51 H new ATOM 0 HG21 THR A 75 14.576 19.306 -12.460 1.00 53.33 H new ATOM 0 HG22 THR A 75 13.665 18.322 -13.630 1.00 53.33 H new ATOM 0 HG23 THR A 75 15.207 19.072 -14.108 1.00 53.33 H new ATOM 1176 N GLN A 76 15.088 21.567 -16.268 1.00 73.25 N ATOM 1177 CA GLN A 76 16.320 21.819 -17.030 1.00 11.01 C ATOM 1178 C GLN A 76 17.399 20.757 -16.749 1.00 73.44 C ATOM 1179 O GLN A 76 18.132 20.347 -17.653 1.00 11.44 O ATOM 1180 CB GLN A 76 16.861 23.216 -16.673 1.00 44.50 C ATOM 1181 CG GLN A 76 18.187 23.585 -17.345 1.00 2.53 C ATOM 1182 CD GLN A 76 18.042 23.969 -18.811 1.00 43.32 C ATOM 1183 OE1 GLN A 76 17.150 23.505 -19.509 1.00 32.25 O ATOM 1184 NE2 GLN A 76 18.928 24.820 -19.289 1.00 40.43 N ATOM 0 H GLN A 76 14.795 22.354 -15.689 1.00 73.25 H new ATOM 0 HA GLN A 76 16.076 21.767 -18.091 1.00 11.01 H new ATOM 0 HB2 GLN A 76 16.113 23.960 -16.946 1.00 44.50 H new ATOM 0 HB3 GLN A 76 16.989 23.275 -15.592 1.00 44.50 H new ATOM 0 HG2 GLN A 76 18.640 24.416 -16.804 1.00 2.53 H new ATOM 0 HG3 GLN A 76 18.872 22.741 -17.265 1.00 2.53 H new ATOM 0 HE21 GLN A 76 19.660 25.189 -18.682 1.00 40.43 H new ATOM 0 HE22 GLN A 76 18.882 25.109 -20.266 1.00 40.43 H new ATOM 1193 N LYS A 77 17.488 20.310 -15.493 1.00 44.34 N ATOM 1194 CA LYS A 77 18.508 19.332 -15.092 1.00 50.01 C ATOM 1195 C LYS A 77 18.438 18.055 -15.947 1.00 41.11 C ATOM 1196 O LYS A 77 19.438 17.633 -16.530 1.00 20.24 O ATOM 1197 CB LYS A 77 18.339 18.959 -13.611 1.00 43.04 C ATOM 1198 CG LYS A 77 19.350 17.919 -13.127 1.00 52.11 C ATOM 1199 CD LYS A 77 19.054 17.434 -11.710 1.00 61.52 C ATOM 1200 CE LYS A 77 17.700 16.734 -11.606 1.00 34.23 C ATOM 1201 NZ LYS A 77 17.551 15.641 -12.606 1.00 60.12 N ATOM 0 H LYS A 77 16.870 20.607 -14.738 1.00 44.34 H new ATOM 0 HA LYS A 77 19.481 19.798 -15.247 1.00 50.01 H new ATOM 0 HB2 LYS A 77 18.436 19.859 -13.004 1.00 43.04 H new ATOM 0 HB3 LYS A 77 17.331 18.576 -13.453 1.00 43.04 H new ATOM 0 HG2 LYS A 77 19.345 17.068 -13.808 1.00 52.11 H new ATOM 0 HG3 LYS A 77 20.352 18.348 -13.159 1.00 52.11 H new ATOM 0 HD2 LYS A 77 19.840 16.749 -11.392 1.00 61.52 H new ATOM 0 HD3 LYS A 77 19.075 18.283 -11.026 1.00 61.52 H new ATOM 0 HE2 LYS A 77 17.581 16.324 -10.603 1.00 34.23 H new ATOM 0 HE3 LYS A 77 16.904 17.465 -11.748 1.00 34.23 H new ATOM 0 HZ1 LYS A 77 17.117 14.812 -12.152 1.00 60.12 H new ATOM 0 HZ2 LYS A 77 16.945 15.965 -13.387 1.00 60.12 H new ATOM 0 HZ3 LYS A 77 18.487 15.382 -12.979 1.00 60.12 H new ATOM 1215 N ASP A 78 17.246 17.468 -16.045 1.00 3.11 N ATOM 1216 CA ASP A 78 17.048 16.244 -16.825 1.00 35.33 C ATOM 1217 C ASP A 78 17.307 16.495 -18.315 1.00 53.24 C ATOM 1218 O ASP A 78 17.891 15.658 -19.004 1.00 45.04 O ATOM 1219 CB ASP A 78 15.631 15.705 -16.604 1.00 5.40 C ATOM 1220 CG ASP A 78 15.394 15.330 -15.151 1.00 62.41 C ATOM 1221 OD1 ASP A 78 15.473 16.226 -14.286 1.00 35.15 O ATOM 1222 OD2 ASP A 78 15.161 14.136 -14.861 1.00 14.13 O ATOM 0 H ASP A 78 16.401 17.820 -15.594 1.00 3.11 H new ATOM 0 HA ASP A 78 17.765 15.497 -16.484 1.00 35.33 H new ATOM 0 HB2 ASP A 78 14.904 16.457 -16.909 1.00 5.40 H new ATOM 0 HB3 ASP A 78 15.471 14.832 -17.236 1.00 5.40 H new ATOM 1227 N LEU A 79 16.884 17.661 -18.799 1.00 70.33 N ATOM 1228 CA LEU A 79 17.164 18.075 -20.176 1.00 33.44 C ATOM 1229 C LEU A 79 18.676 18.056 -20.461 1.00 32.11 C ATOM 1230 O LEU A 79 19.117 17.575 -21.505 1.00 25.43 O ATOM 1231 CB LEU A 79 16.594 19.479 -20.433 1.00 71.10 C ATOM 1232 CG LEU A 79 16.910 20.084 -21.813 1.00 65.32 C ATOM 1233 CD1 LEU A 79 16.399 19.182 -22.930 1.00 64.32 C ATOM 1234 CD2 LEU A 79 16.312 21.483 -21.937 1.00 62.21 C ATOM 0 H LEU A 79 16.345 18.338 -18.259 1.00 70.33 H new ATOM 0 HA LEU A 79 16.682 17.366 -20.849 1.00 33.44 H new ATOM 0 HB2 LEU A 79 15.511 19.439 -20.313 1.00 71.10 H new ATOM 0 HB3 LEU A 79 16.975 20.152 -19.665 1.00 71.10 H new ATOM 0 HG LEU A 79 17.993 20.163 -21.908 1.00 65.32 H new ATOM 0 HD11 LEU A 79 16.634 19.630 -23.896 1.00 64.32 H new ATOM 0 HD12 LEU A 79 16.878 18.206 -22.857 1.00 64.32 H new ATOM 0 HD13 LEU A 79 15.319 19.064 -22.837 1.00 64.32 H new ATOM 0 HD21 LEU A 79 16.546 21.893 -22.919 1.00 62.21 H new ATOM 0 HD22 LEU A 79 15.230 21.428 -21.815 1.00 62.21 H new ATOM 0 HD23 LEU A 79 16.732 22.128 -21.165 1.00 62.21 H new ATOM 1246 N SER A 80 19.464 18.576 -19.523 1.00 22.11 N ATOM 1247 CA SER A 80 20.929 18.587 -19.656 1.00 43.31 C ATOM 1248 C SER A 80 21.506 17.163 -19.630 1.00 72.41 C ATOM 1249 O SER A 80 22.311 16.790 -20.485 1.00 22.44 O ATOM 1250 CB SER A 80 21.564 19.421 -18.534 1.00 34.54 C ATOM 1251 OG SER A 80 22.976 19.487 -18.678 1.00 54.20 O ATOM 0 H SER A 80 19.118 18.997 -18.661 1.00 22.11 H new ATOM 0 HA SER A 80 21.167 19.037 -20.620 1.00 43.31 H new ATOM 0 HB2 SER A 80 21.147 20.428 -18.546 1.00 34.54 H new ATOM 0 HB3 SER A 80 21.315 18.984 -17.567 1.00 34.54 H new ATOM 0 HG SER A 80 23.354 20.025 -17.951 1.00 54.20 H new ATOM 1257 N GLU A 81 21.074 16.370 -18.646 1.00 21.10 N ATOM 1258 CA GLU A 81 21.552 14.988 -18.483 1.00 4.42 C ATOM 1259 C GLU A 81 21.273 14.137 -19.736 1.00 32.45 C ATOM 1260 O GLU A 81 22.113 13.341 -20.164 1.00 21.22 O ATOM 1261 CB GLU A 81 20.899 14.340 -17.247 1.00 0.13 C ATOM 1262 CG GLU A 81 21.187 15.077 -15.937 1.00 63.14 C ATOM 1263 CD GLU A 81 20.567 14.403 -14.719 1.00 65.24 C ATOM 1264 OE1 GLU A 81 21.221 13.516 -14.129 1.00 72.12 O ATOM 1265 OE2 GLU A 81 19.427 14.757 -14.340 1.00 4.43 O ATOM 0 H GLU A 81 20.391 16.660 -17.946 1.00 21.10 H new ATOM 0 HA GLU A 81 22.632 15.027 -18.341 1.00 4.42 H new ATOM 0 HB2 GLU A 81 19.820 14.296 -17.399 1.00 0.13 H new ATOM 0 HB3 GLU A 81 21.250 13.312 -17.159 1.00 0.13 H new ATOM 0 HG2 GLU A 81 22.266 15.146 -15.796 1.00 63.14 H new ATOM 0 HG3 GLU A 81 20.810 16.097 -16.011 1.00 63.14 H new ATOM 1272 N LEU A 82 20.092 14.316 -20.328 1.00 34.42 N ATOM 1273 CA LEU A 82 19.703 13.567 -21.531 1.00 65.24 C ATOM 1274 C LEU A 82 20.496 14.014 -22.770 1.00 60.03 C ATOM 1275 O LEU A 82 20.809 13.198 -23.642 1.00 74.23 O ATOM 1276 CB LEU A 82 18.195 13.709 -21.774 1.00 75.01 C ATOM 1277 CG LEU A 82 17.305 13.069 -20.693 1.00 12.41 C ATOM 1278 CD1 LEU A 82 15.835 13.386 -20.943 1.00 30.43 C ATOM 1279 CD2 LEU A 82 17.530 11.558 -20.632 1.00 20.12 C ATOM 0 H LEU A 82 19.385 14.973 -19.997 1.00 34.42 H new ATOM 0 HA LEU A 82 19.941 12.517 -21.360 1.00 65.24 H new ATOM 0 HB2 LEU A 82 17.951 14.769 -21.845 1.00 75.01 H new ATOM 0 HB3 LEU A 82 17.952 13.260 -22.737 1.00 75.01 H new ATOM 0 HG LEU A 82 17.584 13.494 -19.729 1.00 12.41 H new ATOM 0 HD11 LEU A 82 15.226 12.923 -20.167 1.00 30.43 H new ATOM 0 HD12 LEU A 82 15.687 14.466 -20.925 1.00 30.43 H new ATOM 0 HD13 LEU A 82 15.539 12.996 -21.917 1.00 30.43 H new ATOM 0 HD21 LEU A 82 16.891 11.126 -19.862 1.00 20.12 H new ATOM 0 HD22 LEU A 82 17.285 11.114 -21.597 1.00 20.12 H new ATOM 0 HD23 LEU A 82 18.574 11.355 -20.394 1.00 20.12 H new ATOM 1291 N GLN A 83 20.822 15.306 -22.849 1.00 4.11 N ATOM 1292 CA GLN A 83 21.663 15.820 -23.939 1.00 21.24 C ATOM 1293 C GLN A 83 23.058 15.174 -23.905 1.00 61.33 C ATOM 1294 O GLN A 83 23.571 14.723 -24.932 1.00 12.34 O ATOM 1295 CB GLN A 83 21.773 17.354 -23.867 1.00 24.14 C ATOM 1296 CG GLN A 83 20.485 18.082 -24.243 1.00 72.22 C ATOM 1297 CD GLN A 83 20.608 19.596 -24.148 1.00 4.50 C ATOM 1298 OE1 GLN A 83 20.976 20.266 -25.109 1.00 13.12 O ATOM 1299 NE2 GLN A 83 20.293 20.146 -22.994 1.00 13.11 N ATOM 0 H GLN A 83 20.521 16.013 -22.178 1.00 4.11 H new ATOM 0 HA GLN A 83 21.189 15.556 -24.884 1.00 21.24 H new ATOM 0 HB2 GLN A 83 22.060 17.641 -22.855 1.00 24.14 H new ATOM 0 HB3 GLN A 83 22.573 17.683 -24.531 1.00 24.14 H new ATOM 0 HG2 GLN A 83 20.204 17.809 -25.260 1.00 72.22 H new ATOM 0 HG3 GLN A 83 19.680 17.747 -23.589 1.00 72.22 H new ATOM 0 HE21 GLN A 83 19.991 19.560 -22.215 1.00 13.11 H new ATOM 0 HE22 GLN A 83 20.351 21.158 -22.879 1.00 13.11 H new ATOM 1308 N ASP A 84 23.659 15.115 -22.717 1.00 64.44 N ATOM 1309 CA ASP A 84 24.948 14.436 -22.532 1.00 32.43 C ATOM 1310 C ASP A 84 24.835 12.937 -22.868 1.00 12.43 C ATOM 1311 O ASP A 84 25.720 12.361 -23.510 1.00 33.30 O ATOM 1312 CB ASP A 84 25.430 14.614 -21.086 1.00 1.24 C ATOM 1313 CG ASP A 84 26.759 13.920 -20.821 1.00 21.34 C ATOM 1314 OD1 ASP A 84 27.817 14.531 -21.079 1.00 20.55 O ATOM 1315 OD2 ASP A 84 26.754 12.761 -20.352 1.00 40.22 O ATOM 0 H ASP A 84 23.277 15.528 -21.866 1.00 64.44 H new ATOM 0 HA ASP A 84 25.672 14.885 -23.212 1.00 32.43 H new ATOM 0 HB2 ASP A 84 25.530 15.677 -20.869 1.00 1.24 H new ATOM 0 HB3 ASP A 84 24.676 14.219 -20.405 1.00 1.24 H new ATOM 1320 N ALA A 85 23.730 12.322 -22.436 1.00 21.40 N ATOM 1321 CA ALA A 85 23.485 10.891 -22.656 1.00 72.21 C ATOM 1322 C ALA A 85 23.609 10.499 -24.137 1.00 41.21 C ATOM 1323 O ALA A 85 24.310 9.541 -24.475 1.00 35.14 O ATOM 1324 CB ALA A 85 22.111 10.511 -22.118 1.00 24.42 C ATOM 0 H ALA A 85 22.984 12.797 -21.927 1.00 21.40 H new ATOM 0 HA ALA A 85 24.253 10.339 -22.115 1.00 72.21 H new ATOM 0 HB1 ALA A 85 21.936 9.448 -22.285 1.00 24.42 H new ATOM 0 HB2 ALA A 85 22.067 10.723 -21.050 1.00 24.42 H new ATOM 0 HB3 ALA A 85 21.345 11.090 -22.634 1.00 24.42 H new ATOM 1330 N LYS A 86 22.929 11.238 -25.016 1.00 54.11 N ATOM 1331 CA LYS A 86 23.028 10.995 -26.464 1.00 71.14 C ATOM 1332 C LYS A 86 24.382 11.467 -27.020 1.00 21.41 C ATOM 1333 O LYS A 86 24.995 10.784 -27.841 1.00 23.02 O ATOM 1334 CB LYS A 86 21.875 11.685 -27.222 1.00 44.12 C ATOM 1335 CG LYS A 86 21.722 13.173 -26.911 1.00 24.12 C ATOM 1336 CD LYS A 86 20.582 13.831 -27.697 1.00 13.53 C ATOM 1337 CE LYS A 86 21.023 14.343 -29.071 1.00 11.33 C ATOM 1338 NZ LYS A 86 21.433 13.255 -29.998 1.00 11.43 N ATOM 0 H LYS A 86 22.308 12.004 -24.758 1.00 54.11 H new ATOM 0 HA LYS A 86 22.951 9.919 -26.618 1.00 71.14 H new ATOM 0 HB2 LYS A 86 22.036 11.564 -28.293 1.00 44.12 H new ATOM 0 HB3 LYS A 86 20.941 11.177 -26.981 1.00 44.12 H new ATOM 0 HG2 LYS A 86 21.541 13.300 -25.844 1.00 24.12 H new ATOM 0 HG3 LYS A 86 22.657 13.685 -27.139 1.00 24.12 H new ATOM 0 HD2 LYS A 86 19.773 13.111 -27.825 1.00 13.53 H new ATOM 0 HD3 LYS A 86 20.180 14.662 -27.117 1.00 13.53 H new ATOM 0 HE2 LYS A 86 20.205 14.906 -29.521 1.00 11.33 H new ATOM 0 HE3 LYS A 86 21.855 15.036 -28.944 1.00 11.33 H new ATOM 0 HZ1 LYS A 86 21.393 13.600 -30.978 1.00 11.43 H new ATOM 0 HZ2 LYS A 86 22.404 12.957 -29.775 1.00 11.43 H new ATOM 0 HZ3 LYS A 86 20.789 12.446 -29.890 1.00 11.43 H new ATOM 1352 N LEU A 87 24.855 12.620 -26.538 1.00 75.31 N ATOM 1353 CA LEU A 87 26.095 13.234 -27.036 1.00 50.01 C ATOM 1354 C LEU A 87 27.291 12.266 -26.968 1.00 73.04 C ATOM 1355 O LEU A 87 28.059 12.148 -27.924 1.00 62.04 O ATOM 1356 CB LEU A 87 26.404 14.510 -26.236 1.00 70.12 C ATOM 1357 CG LEU A 87 27.639 15.303 -26.696 1.00 41.00 C ATOM 1358 CD1 LEU A 87 27.470 15.791 -28.134 1.00 1.34 C ATOM 1359 CD2 LEU A 87 27.906 16.476 -25.755 1.00 11.23 C ATOM 0 H LEU A 87 24.396 13.152 -25.798 1.00 75.31 H new ATOM 0 HA LEU A 87 25.939 13.485 -28.085 1.00 50.01 H new ATOM 0 HB2 LEU A 87 25.535 15.166 -26.284 1.00 70.12 H new ATOM 0 HB3 LEU A 87 26.540 14.237 -25.190 1.00 70.12 H new ATOM 0 HG LEU A 87 28.501 14.636 -26.666 1.00 41.00 H new ATOM 0 HD11 LEU A 87 28.357 16.349 -28.435 1.00 1.34 H new ATOM 0 HD12 LEU A 87 27.338 14.935 -28.796 1.00 1.34 H new ATOM 0 HD13 LEU A 87 26.595 16.438 -28.198 1.00 1.34 H new ATOM 0 HD21 LEU A 87 28.784 17.025 -26.097 1.00 11.23 H new ATOM 0 HD22 LEU A 87 27.042 17.141 -25.748 1.00 11.23 H new ATOM 0 HD23 LEU A 87 28.083 16.101 -24.747 1.00 11.23 H new ATOM 1371 N LYS A 88 27.444 11.572 -25.841 1.00 23.11 N ATOM 1372 CA LYS A 88 28.546 10.616 -25.676 1.00 73.24 C ATOM 1373 C LYS A 88 28.413 9.430 -26.652 1.00 4.45 C ATOM 1374 O LYS A 88 29.402 8.959 -27.214 1.00 73.55 O ATOM 1375 CB LYS A 88 28.600 10.092 -24.231 1.00 31.51 C ATOM 1376 CG LYS A 88 27.447 9.162 -23.861 1.00 20.40 C ATOM 1377 CD LYS A 88 27.619 8.563 -22.470 1.00 72.13 C ATOM 1378 CE LYS A 88 26.604 7.458 -22.204 1.00 60.33 C ATOM 1379 NZ LYS A 88 25.204 7.933 -22.352 1.00 12.35 N ATOM 0 H LYS A 88 26.826 11.650 -25.033 1.00 23.11 H new ATOM 0 HA LYS A 88 29.472 11.146 -25.900 1.00 73.24 H new ATOM 0 HB2 LYS A 88 29.541 9.563 -24.083 1.00 31.51 H new ATOM 0 HB3 LYS A 88 28.601 10.941 -23.548 1.00 31.51 H new ATOM 0 HG2 LYS A 88 26.508 9.714 -23.904 1.00 20.40 H new ATOM 0 HG3 LYS A 88 27.379 8.359 -24.595 1.00 20.40 H new ATOM 0 HD2 LYS A 88 28.628 8.163 -22.368 1.00 72.13 H new ATOM 0 HD3 LYS A 88 27.509 9.346 -21.720 1.00 72.13 H new ATOM 0 HE2 LYS A 88 26.780 6.632 -22.893 1.00 60.33 H new ATOM 0 HE3 LYS A 88 26.749 7.069 -21.196 1.00 60.33 H new ATOM 0 HZ1 LYS A 88 24.573 7.117 -22.483 1.00 12.35 H new ATOM 0 HZ2 LYS A 88 24.922 8.455 -21.498 1.00 12.35 H new ATOM 0 HZ3 LYS A 88 25.136 8.560 -23.179 1.00 12.35 H new ATOM 1393 N ALA A 89 27.178 8.972 -26.856 1.00 0.54 N ATOM 1394 CA ALA A 89 26.905 7.783 -27.672 1.00 44.42 C ATOM 1395 C ALA A 89 27.175 8.026 -29.163 1.00 73.34 C ATOM 1396 O ALA A 89 27.738 7.173 -29.854 1.00 44.13 O ATOM 1397 CB ALA A 89 25.463 7.332 -27.462 1.00 41.51 C ATOM 0 H ALA A 89 26.343 9.408 -26.465 1.00 0.54 H new ATOM 0 HA ALA A 89 27.587 6.997 -27.347 1.00 44.42 H new ATOM 0 HB1 ALA A 89 25.266 6.449 -28.070 1.00 41.51 H new ATOM 0 HB2 ALA A 89 25.307 7.091 -26.411 1.00 41.51 H new ATOM 0 HB3 ALA A 89 24.785 8.133 -27.755 1.00 41.51 H new ATOM 1403 N GLU A 90 26.790 9.201 -29.648 1.00 51.21 N ATOM 1404 CA GLU A 90 26.923 9.544 -31.070 1.00 50.13 C ATOM 1405 C GLU A 90 28.393 9.704 -31.499 1.00 31.52 C ATOM 1406 O GLU A 90 28.692 9.816 -32.691 1.00 25.24 O ATOM 1407 CB GLU A 90 26.139 10.830 -31.363 1.00 61.15 C ATOM 1408 CG GLU A 90 24.666 10.735 -30.977 1.00 41.53 C ATOM 1409 CD GLU A 90 23.890 12.008 -31.258 1.00 44.55 C ATOM 1410 OE1 GLU A 90 23.990 12.964 -30.460 1.00 71.43 O ATOM 1411 OE2 GLU A 90 23.156 12.053 -32.264 1.00 11.24 O ATOM 0 H GLU A 90 26.380 9.940 -29.078 1.00 51.21 H new ATOM 0 HA GLU A 90 26.511 8.719 -31.651 1.00 50.13 H new ATOM 0 HB2 GLU A 90 26.597 11.659 -30.823 1.00 61.15 H new ATOM 0 HB3 GLU A 90 26.216 11.061 -32.425 1.00 61.15 H new ATOM 0 HG2 GLU A 90 24.207 9.910 -31.522 1.00 41.53 H new ATOM 0 HG3 GLU A 90 24.590 10.498 -29.916 1.00 41.53 H new ATOM 1418 N GLY A 91 29.307 9.717 -30.530 1.00 35.23 N ATOM 1419 CA GLY A 91 30.732 9.825 -30.838 1.00 23.43 C ATOM 1420 C GLY A 91 31.511 8.532 -30.595 1.00 5.13 C ATOM 1421 O GLY A 91 32.712 8.472 -30.868 1.00 31.13 O ATOM 0 H GLY A 91 29.090 9.655 -29.535 1.00 35.23 H new ATOM 0 HA2 GLY A 91 30.848 10.119 -31.881 1.00 23.43 H new ATOM 0 HA3 GLY A 91 31.167 10.620 -30.233 1.00 23.43 H new ATOM 1425 N LEU A 92 30.832 7.492 -30.102 1.00 64.34 N ATOM 1426 CA LEU A 92 31.499 6.230 -29.738 1.00 54.43 C ATOM 1427 C LEU A 92 32.110 5.513 -30.956 1.00 33.21 C ATOM 1428 O LEU A 92 33.332 5.375 -31.059 1.00 32.20 O ATOM 1429 CB LEU A 92 30.518 5.285 -29.023 1.00 12.22 C ATOM 1430 CG LEU A 92 30.021 5.757 -27.645 1.00 41.30 C ATOM 1431 CD1 LEU A 92 29.056 4.739 -27.042 1.00 21.21 C ATOM 1432 CD2 LEU A 92 31.195 6.009 -26.701 1.00 41.42 C ATOM 0 H LEU A 92 29.824 7.495 -29.945 1.00 64.34 H new ATOM 0 HA LEU A 92 32.314 6.492 -29.064 1.00 54.43 H new ATOM 0 HB2 LEU A 92 29.653 5.133 -29.668 1.00 12.22 H new ATOM 0 HB3 LEU A 92 31.000 4.315 -28.902 1.00 12.22 H new ATOM 0 HG LEU A 92 29.487 6.697 -27.782 1.00 41.30 H new ATOM 0 HD11 LEU A 92 28.717 5.092 -26.068 1.00 21.21 H new ATOM 0 HD12 LEU A 92 28.198 4.616 -27.703 1.00 21.21 H new ATOM 0 HD13 LEU A 92 29.564 3.782 -26.924 1.00 21.21 H new ATOM 0 HD21 LEU A 92 30.819 6.342 -25.734 1.00 41.42 H new ATOM 0 HD22 LEU A 92 31.763 5.087 -26.572 1.00 41.42 H new ATOM 0 HD23 LEU A 92 31.842 6.778 -27.123 1.00 41.42 H new ATOM 1444 N GLU A 93 31.262 5.053 -31.872 1.00 61.03 N ATOM 1445 CA GLU A 93 31.724 4.260 -33.017 1.00 4.23 C ATOM 1446 C GLU A 93 32.147 5.157 -34.198 1.00 14.51 C ATOM 1447 O GLU A 93 31.855 6.354 -34.223 1.00 50.33 O ATOM 1448 CB GLU A 93 30.641 3.240 -33.425 1.00 34.52 C ATOM 1449 CG GLU A 93 29.350 3.842 -33.987 1.00 65.41 C ATOM 1450 CD GLU A 93 29.394 4.029 -35.498 1.00 35.44 C ATOM 1451 OE1 GLU A 93 29.698 3.044 -36.206 1.00 63.35 O ATOM 1452 OE2 GLU A 93 29.144 5.154 -35.975 1.00 52.22 O ATOM 0 H GLU A 93 30.255 5.213 -31.848 1.00 61.03 H new ATOM 0 HA GLU A 93 32.614 3.707 -32.717 1.00 4.23 H new ATOM 0 HB2 GLU A 93 31.063 2.567 -34.171 1.00 34.52 H new ATOM 0 HB3 GLU A 93 30.390 2.634 -32.554 1.00 34.52 H new ATOM 0 HG2 GLU A 93 28.511 3.195 -33.730 1.00 65.41 H new ATOM 0 HG3 GLU A 93 29.167 4.806 -33.512 1.00 65.41 H new ATOM 1459 N HIS A 94 32.839 4.568 -35.175 1.00 53.53 N ATOM 1460 CA HIS A 94 33.455 5.340 -36.269 1.00 31.24 C ATOM 1461 C HIS A 94 33.008 4.862 -37.664 1.00 21.34 C ATOM 1462 O HIS A 94 33.584 5.261 -38.678 1.00 53.43 O ATOM 1463 CB HIS A 94 34.985 5.265 -36.151 1.00 21.23 C ATOM 1464 CG HIS A 94 35.508 3.870 -35.962 1.00 11.22 C ATOM 1465 ND1 HIS A 94 36.049 3.427 -34.775 1.00 4.22 N ATOM 1466 CD2 HIS A 94 35.570 2.814 -36.812 1.00 73.32 C ATOM 1467 CE1 HIS A 94 36.420 2.170 -34.900 1.00 52.30 C ATOM 1468 NE2 HIS A 94 36.140 1.770 -36.123 1.00 64.21 N ATOM 0 H HIS A 94 32.990 3.561 -35.236 1.00 53.53 H new ATOM 0 HA HIS A 94 33.119 6.372 -36.168 1.00 31.24 H new ATOM 0 HB2 HIS A 94 35.431 5.692 -37.049 1.00 21.23 H new ATOM 0 HB3 HIS A 94 35.306 5.881 -35.311 1.00 21.23 H new ATOM 0 HD2 HIS A 94 35.234 2.797 -37.838 1.00 73.32 H new ATOM 0 HE1 HIS A 94 36.877 1.568 -34.129 1.00 52.30 H new ATOM 0 HE2 HIS A 94 36.317 0.838 -36.498 1.00 64.21 H new ATOM 1477 N HIS A 95 31.986 4.019 -37.721 1.00 62.03 N ATOM 1478 CA HIS A 95 31.460 3.528 -39.000 1.00 3.02 C ATOM 1479 C HIS A 95 30.020 4.030 -39.190 1.00 1.50 C ATOM 1480 O HIS A 95 29.092 3.244 -39.399 1.00 13.32 O ATOM 1481 CB HIS A 95 31.517 1.993 -39.037 1.00 4.05 C ATOM 1482 CG HIS A 95 31.489 1.419 -40.422 1.00 61.13 C ATOM 1483 ND1 HIS A 95 30.357 1.386 -41.202 1.00 32.03 N ATOM 1484 CD2 HIS A 95 32.472 0.861 -41.171 1.00 3.23 C ATOM 1485 CE1 HIS A 95 30.640 0.831 -42.364 1.00 51.44 C ATOM 1486 NE2 HIS A 95 31.913 0.506 -42.372 1.00 1.34 N ATOM 0 H HIS A 95 31.501 3.657 -36.900 1.00 62.03 H new ATOM 0 HA HIS A 95 32.072 3.910 -39.818 1.00 3.02 H new ATOM 0 HB2 HIS A 95 32.425 1.660 -38.534 1.00 4.05 H new ATOM 0 HB3 HIS A 95 30.675 1.594 -38.471 1.00 4.05 H new ATOM 0 HD1 HIS A 95 29.440 1.737 -40.925 1.00 32.03 H new ATOM 0 HD2 HIS A 95 33.502 0.722 -40.877 1.00 3.23 H new ATOM 0 HE1 HIS A 95 29.943 0.671 -43.173 1.00 51.44 H new ATOM 1495 N HIS A 96 29.867 5.357 -39.134 1.00 1.03 N ATOM 1496 CA HIS A 96 28.550 6.013 -39.116 1.00 72.32 C ATOM 1497 C HIS A 96 27.594 5.450 -40.177 1.00 43.41 C ATOM 1498 O HIS A 96 27.981 5.194 -41.319 1.00 13.50 O ATOM 1499 CB HIS A 96 28.715 7.526 -39.279 1.00 63.04 C ATOM 1500 CG HIS A 96 29.568 8.138 -38.207 1.00 5.45 C ATOM 1501 ND1 HIS A 96 29.563 7.701 -36.898 1.00 31.32 N ATOM 1502 CD2 HIS A 96 30.470 9.147 -38.255 1.00 71.12 C ATOM 1503 CE1 HIS A 96 30.416 8.411 -36.193 1.00 71.34 C ATOM 1504 NE2 HIS A 96 30.981 9.293 -36.990 1.00 10.32 N ATOM 0 H HIS A 96 30.651 6.009 -39.100 1.00 1.03 H new ATOM 0 HA HIS A 96 28.096 5.803 -38.148 1.00 72.32 H new ATOM 0 HB2 HIS A 96 29.158 7.736 -40.253 1.00 63.04 H new ATOM 0 HB3 HIS A 96 27.732 7.997 -39.268 1.00 63.04 H new ATOM 0 HD1 HIS A 96 28.986 6.943 -36.533 1.00 31.32 H new ATOM 0 HD2 HIS A 96 30.737 9.728 -39.126 1.00 71.12 H new ATOM 0 HE1 HIS A 96 30.619 8.291 -35.139 1.00 71.34 H new ATOM 1513 N HIS A 97 26.337 5.283 -39.785 1.00 34.43 N ATOM 1514 CA HIS A 97 25.363 4.522 -40.571 1.00 42.44 C ATOM 1515 C HIS A 97 24.550 5.414 -41.529 1.00 72.43 C ATOM 1516 O HIS A 97 24.195 6.548 -41.204 1.00 45.41 O ATOM 1517 CB HIS A 97 24.429 3.769 -39.611 1.00 71.41 C ATOM 1518 CG HIS A 97 25.161 2.863 -38.654 1.00 35.21 C ATOM 1519 ND1 HIS A 97 24.852 1.530 -38.482 1.00 72.43 N ATOM 1520 CD2 HIS A 97 26.199 3.111 -37.814 1.00 64.44 C ATOM 1521 CE1 HIS A 97 25.665 1.002 -37.586 1.00 53.11 C ATOM 1522 NE2 HIS A 97 26.493 1.938 -37.166 1.00 23.32 N ATOM 0 H HIS A 97 25.961 5.668 -38.918 1.00 34.43 H new ATOM 0 HA HIS A 97 25.909 3.816 -41.197 1.00 42.44 H new ATOM 0 HB2 HIS A 97 23.845 4.492 -39.041 1.00 71.41 H new ATOM 0 HB3 HIS A 97 23.723 3.177 -40.193 1.00 71.41 H new ATOM 0 HD2 HIS A 97 26.701 4.058 -37.681 1.00 64.44 H new ATOM 0 HE1 HIS A 97 25.654 -0.025 -37.253 1.00 53.11 H new ATOM 0 HE2 HIS A 97 27.231 1.811 -36.473 1.00 23.32 H new ATOM 1531 N HIS A 98 24.272 4.887 -42.720 1.00 13.32 N ATOM 1532 CA HIS A 98 23.450 5.578 -43.718 1.00 71.50 C ATOM 1533 C HIS A 98 22.094 4.871 -43.873 1.00 14.42 C ATOM 1534 O HIS A 98 22.038 3.702 -44.253 1.00 34.32 O ATOM 1535 CB HIS A 98 24.192 5.617 -45.064 1.00 42.55 C ATOM 1536 CG HIS A 98 23.462 6.340 -46.155 1.00 64.41 C ATOM 1537 ND1 HIS A 98 23.740 7.641 -46.508 1.00 20.42 N ATOM 1538 CD2 HIS A 98 22.473 5.935 -46.989 1.00 73.04 C ATOM 1539 CE1 HIS A 98 22.962 8.004 -47.504 1.00 35.31 C ATOM 1540 NE2 HIS A 98 22.182 6.990 -47.817 1.00 61.14 N ATOM 0 H HIS A 98 24.608 3.972 -43.022 1.00 13.32 H new ATOM 0 HA HIS A 98 23.268 6.600 -43.385 1.00 71.50 H new ATOM 0 HB2 HIS A 98 25.162 6.092 -44.916 1.00 42.55 H new ATOM 0 HB3 HIS A 98 24.384 4.594 -45.388 1.00 42.55 H new ATOM 0 HD2 HIS A 98 22.002 4.963 -47.000 1.00 73.04 H new ATOM 0 HE1 HIS A 98 22.963 8.971 -47.985 1.00 35.31 H new ATOM 0 HE2 HIS A 98 21.477 6.989 -48.554 1.00 61.14 H new ATOM 1549 N HIS A 99 21.006 5.578 -43.575 1.00 32.21 N ATOM 1550 CA HIS A 99 19.658 4.988 -43.645 1.00 42.12 C ATOM 1551 C HIS A 99 18.749 5.774 -44.617 1.00 4.31 C ATOM 1552 O HIS A 99 18.622 5.358 -45.793 1.00 37.99 O ATOM 1553 CB HIS A 99 19.044 4.936 -42.234 1.00 51.22 C ATOM 1554 CG HIS A 99 17.744 4.191 -42.158 1.00 15.45 C ATOM 1555 ND1 HIS A 99 17.657 2.863 -41.798 1.00 52.11 N ATOM 1556 CD2 HIS A 99 16.472 4.595 -42.386 1.00 22.11 C ATOM 1557 CE1 HIS A 99 16.396 2.485 -41.810 1.00 20.40 C ATOM 1558 NE2 HIS A 99 15.657 3.515 -42.162 1.00 61.52 N ATOM 1559 OXT HIS A 99 18.179 6.806 -44.205 1.00 37.99 O ATOM 0 H HIS A 99 21.024 6.555 -43.284 1.00 32.21 H new ATOM 0 HA HIS A 99 19.741 3.973 -44.034 1.00 42.12 H new ATOM 0 HB2 HIS A 99 19.758 4.469 -41.556 1.00 51.22 H new ATOM 0 HB3 HIS A 99 18.888 5.955 -41.880 1.00 51.22 H new ATOM 0 HD2 HIS A 99 16.158 5.583 -42.688 1.00 22.11 H new ATOM 0 HE1 HIS A 99 16.030 1.497 -41.571 1.00 20.40 H new ATOM 0 HE2 HIS A 99 14.641 3.511 -42.254 1.00 61.52 H new TER 1568 HIS A 99