USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 572 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 22 GLN : amide:sc= -1.08 X(o=-2.5,f=-2.2) USER MOD Set 1.2: A 24 TYR OH : rot 28:sc= -1.48! USER MOD Set 1.3: A 30 TYR OH : rot 41:sc= 0.0061 USER MOD Set 1.4: A 88 CYS SG : rot -24:sc= 0.0942 USER MOD Set 2.1: A 11 GLN : amide:sc= 0.364 K(o=0.53,f=-0.45) USER MOD Set 2.2: A 19 TYR OH : rot 27:sc= 0.164 USER MOD Set 3.1: A 6 ASN :FLIP amide:sc= 0.865 F(o=-2.6!,f=1.8) USER MOD Set 3.2: A 10 TYR OH : rot -96:sc= 0.983 USER MOD Set 4.1: A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 5 GLN : amide:sc= -0.13 K(o=1.7,f=-2.8) USER MOD Set 4.3: A 8 LYS NZ :NH3+ 160:sc= 1.8 (180deg=1.13) USER MOD Single : A 2 SER OG : rot -28:sc= 0.0323 USER MOD Single : A 9 ASN : amide:sc= 0.883 K(o=0.88,f=-1.7!) USER MOD Single : A 12 HIS : no HD1:sc= -0.0747 X(o=-0.075,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 163:sc= -0.0739 (180deg=-0.494) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -2.12 X(o=-2.1,f=-1.6) USER MOD Single : A 34 THR OG1 : rot -116:sc= 0.0419 USER MOD Single : A 35 THR OG1 : rot 88:sc= 1.14 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -73:sc= 0.543 USER MOD Single : A 43 TYR OH : rot 72:sc= 1.23 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HE2:sc= 0.991 K(o=0.99,f=-4.4!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -145:sc= 0.98 (180deg=-0.439) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 0.319 -7.545 -0.553 1.00 11.32 N ATOM 21 CA SER A 2 -1.119 -7.689 -0.867 1.00 33.02 C ATOM 22 C SER A 2 -1.535 -6.981 -2.171 1.00 52.44 C ATOM 23 O SER A 2 -2.445 -7.440 -2.862 1.00 24.43 O ATOM 24 CB SER A 2 -1.974 -7.153 0.289 1.00 72.54 C ATOM 25 OG SER A 2 -1.745 -5.770 0.502 1.00 30.31 O ATOM 0 HA SER A 2 -1.290 -8.756 -1.008 1.00 33.02 H new ATOM 0 HB2 SER A 2 -3.029 -7.320 0.071 1.00 72.54 H new ATOM 0 HB3 SER A 2 -1.745 -7.706 1.200 1.00 72.54 H new ATOM 0 HG SER A 2 -0.836 -5.541 0.216 1.00 30.31 H new ATOM 31 N TRP A 3 -0.881 -5.870 -2.509 1.00 15.23 N ATOM 32 CA TRP A 3 -1.202 -5.142 -3.746 1.00 33.42 C ATOM 33 C TRP A 3 -0.919 -5.992 -4.993 1.00 45.12 C ATOM 34 O TRP A 3 -1.665 -5.939 -5.972 1.00 21.34 O ATOM 35 CB TRP A 3 -0.445 -3.810 -3.813 1.00 21.43 C ATOM 36 CG TRP A 3 -0.906 -2.827 -2.777 1.00 12.04 C ATOM 37 CD1 TRP A 3 -0.219 -2.395 -1.679 1.00 13.40 C ATOM 38 CD2 TRP A 3 -2.174 -2.165 -2.742 1.00 43.11 C ATOM 39 NE1 TRP A 3 -0.982 -1.503 -0.969 1.00 40.41 N ATOM 40 CE2 TRP A 3 -2.187 -1.347 -1.598 1.00 30.41 C ATOM 41 CE3 TRP A 3 -3.303 -2.189 -3.568 1.00 54.14 C ATOM 42 CZ2 TRP A 3 -3.281 -0.555 -1.263 1.00 71.00 C ATOM 43 CZ3 TRP A 3 -4.387 -1.403 -3.233 1.00 73.52 C ATOM 44 CH2 TRP A 3 -4.371 -0.598 -2.088 1.00 23.21 C ATOM 0 H TRP A 3 -0.133 -5.454 -1.954 1.00 15.23 H new ATOM 0 HA TRP A 3 -2.271 -4.927 -3.728 1.00 33.42 H new ATOM 0 HB2 TRP A 3 0.621 -3.996 -3.682 1.00 21.43 H new ATOM 0 HB3 TRP A 3 -0.573 -3.374 -4.804 1.00 21.43 H new ATOM 0 HD1 TRP A 3 0.778 -2.709 -1.409 1.00 13.40 H new ATOM 0 HE1 TRP A 3 -0.697 -1.032 -0.110 1.00 40.41 H new ATOM 0 HE3 TRP A 3 -3.326 -2.811 -4.451 1.00 54.14 H new ATOM 0 HZ2 TRP A 3 -3.270 0.071 -0.383 1.00 71.00 H new ATOM 0 HZ3 TRP A 3 -5.263 -1.409 -3.865 1.00 73.52 H new ATOM 0 HH2 TRP A 3 -5.237 0.002 -1.851 1.00 23.21 H new ATOM 55 N MET A 4 0.146 -6.790 -4.950 1.00 22.23 N ATOM 56 CA MET A 4 0.442 -7.738 -6.032 1.00 73.25 C ATOM 57 C MET A 4 -0.739 -8.708 -6.216 1.00 4.42 C ATOM 58 O MET A 4 -1.110 -9.060 -7.338 1.00 52.31 O ATOM 59 CB MET A 4 1.742 -8.501 -5.720 1.00 34.32 C ATOM 60 CG MET A 4 2.355 -9.232 -6.913 1.00 23.02 C ATOM 61 SD MET A 4 1.427 -10.695 -7.424 1.00 12.11 S ATOM 62 CE MET A 4 2.341 -11.163 -8.894 1.00 41.25 C ATOM 0 H MET A 4 0.818 -6.802 -4.183 1.00 22.23 H new ATOM 0 HA MET A 4 0.583 -7.192 -6.965 1.00 73.25 H new ATOM 0 HB2 MET A 4 2.475 -7.797 -5.327 1.00 34.32 H new ATOM 0 HB3 MET A 4 1.541 -9.226 -4.931 1.00 34.32 H new ATOM 0 HG2 MET A 4 2.422 -8.543 -7.755 1.00 23.02 H new ATOM 0 HG3 MET A 4 3.374 -9.528 -6.662 1.00 23.02 H new ATOM 0 HE1 MET A 4 1.893 -12.055 -9.332 1.00 41.25 H new ATOM 0 HE2 MET A 4 2.309 -10.348 -9.617 1.00 41.25 H new ATOM 0 HE3 MET A 4 3.377 -11.371 -8.627 1.00 41.25 H new ATOM 72 N GLN A 5 -1.343 -9.107 -5.093 1.00 0.01 N ATOM 73 CA GLN A 5 -2.544 -9.952 -5.098 1.00 14.42 C ATOM 74 C GLN A 5 -3.755 -9.188 -5.655 1.00 22.21 C ATOM 75 O GLN A 5 -4.539 -9.726 -6.440 1.00 14.22 O ATOM 76 CB GLN A 5 -2.841 -10.445 -3.674 1.00 31.34 C ATOM 77 CG GLN A 5 -1.691 -11.221 -3.042 1.00 20.22 C ATOM 78 CD GLN A 5 -1.513 -12.615 -3.624 1.00 63.32 C ATOM 79 OE1 GLN A 5 -0.822 -12.813 -4.619 1.00 3.20 O ATOM 80 NE2 GLN A 5 -2.129 -13.598 -2.997 1.00 34.21 N ATOM 0 H GLN A 5 -1.017 -8.856 -4.160 1.00 0.01 H new ATOM 0 HA GLN A 5 -2.357 -10.809 -5.745 1.00 14.42 H new ATOM 0 HB2 GLN A 5 -3.078 -9.588 -3.044 1.00 31.34 H new ATOM 0 HB3 GLN A 5 -3.727 -11.079 -3.696 1.00 31.34 H new ATOM 0 HG2 GLN A 5 -0.767 -10.659 -3.175 1.00 20.22 H new ATOM 0 HG3 GLN A 5 -1.863 -11.302 -1.969 1.00 20.22 H new ATOM 0 HE21 GLN A 5 -2.696 -13.401 -2.172 1.00 34.21 H new ATOM 0 HE22 GLN A 5 -2.038 -14.556 -3.337 1.00 34.21 H new ATOM 89 N ASN A 6 -3.887 -7.929 -5.245 1.00 73.14 N ATOM 90 CA ASN A 6 -4.974 -7.059 -5.710 1.00 24.43 C ATOM 91 C ASN A 6 -4.966 -6.913 -7.243 1.00 51.53 C ATOM 92 O ASN A 6 -5.993 -7.087 -7.898 1.00 43.44 O ATOM 93 CB ASN A 6 -4.846 -5.682 -5.042 1.00 51.13 C ATOM 94 CG ASN A 6 -5.923 -4.706 -5.481 1.00 30.12 C ATOM 95 OD1 ASN A 6 -5.657 -3.966 -6.541 1.00 35.11 O flip ATOM 96 ND2 ASN A 6 -6.983 -4.611 -4.870 1.00 55.05 N flip ATOM 0 H ASN A 6 -3.250 -7.482 -4.586 1.00 73.14 H new ATOM 0 HA ASN A 6 -5.924 -7.516 -5.431 1.00 24.43 H new ATOM 0 HB2 ASN A 6 -4.893 -5.804 -3.960 1.00 51.13 H new ATOM 0 HB3 ASN A 6 -3.867 -5.262 -5.273 1.00 51.13 H new ATOM 0 HD21 ASN A 6 -7.156 -5.199 -4.054 1.00 55.05 H new ATOM 0 HD22 ASN A 6 -7.691 -3.944 -5.178 1.00 55.05 H new ATOM 103 N LEU A 7 -3.800 -6.595 -7.806 1.00 75.43 N ATOM 104 CA LEU A 7 -3.664 -6.423 -9.261 1.00 35.52 C ATOM 105 C LEU A 7 -3.842 -7.751 -10.020 1.00 45.52 C ATOM 106 O LEU A 7 -4.580 -7.813 -11.004 1.00 13.03 O ATOM 107 CB LEU A 7 -2.301 -5.792 -9.612 1.00 62.05 C ATOM 108 CG LEU A 7 -2.209 -4.259 -9.456 1.00 52.41 C ATOM 109 CD1 LEU A 7 -3.235 -3.558 -10.347 1.00 22.14 C ATOM 110 CD2 LEU A 7 -2.382 -3.838 -7.998 1.00 4.01 C ATOM 0 H LEU A 7 -2.936 -6.451 -7.283 1.00 75.43 H new ATOM 0 HA LEU A 7 -4.461 -5.750 -9.578 1.00 35.52 H new ATOM 0 HB2 LEU A 7 -1.538 -6.249 -8.982 1.00 62.05 H new ATOM 0 HB3 LEU A 7 -2.058 -6.048 -10.643 1.00 62.05 H new ATOM 0 HG LEU A 7 -1.213 -3.953 -9.776 1.00 52.41 H new ATOM 0 HD11 LEU A 7 -3.151 -2.479 -10.219 1.00 22.14 H new ATOM 0 HD12 LEU A 7 -3.048 -3.816 -11.389 1.00 22.14 H new ATOM 0 HD13 LEU A 7 -4.239 -3.879 -10.068 1.00 22.14 H new ATOM 0 HD21 LEU A 7 -2.312 -2.753 -7.922 1.00 4.01 H new ATOM 0 HD22 LEU A 7 -3.358 -4.165 -7.638 1.00 4.01 H new ATOM 0 HD23 LEU A 7 -1.600 -4.295 -7.392 1.00 4.01 H new ATOM 122 N LYS A 8 -3.178 -8.812 -9.556 1.00 0.42 N ATOM 123 CA LYS A 8 -3.231 -10.113 -10.244 1.00 24.53 C ATOM 124 C LYS A 8 -4.658 -10.696 -10.241 1.00 32.03 C ATOM 125 O LYS A 8 -5.000 -11.522 -11.088 1.00 75.22 O ATOM 126 CB LYS A 8 -2.249 -11.103 -9.595 1.00 42.12 C ATOM 127 CG LYS A 8 -2.796 -11.800 -8.349 1.00 72.11 C ATOM 128 CD LYS A 8 -1.684 -12.274 -7.419 1.00 22.24 C ATOM 129 CE LYS A 8 -0.701 -13.223 -8.084 1.00 51.42 C ATOM 130 NZ LYS A 8 0.448 -13.515 -7.185 1.00 54.04 N ATOM 0 H LYS A 8 -2.601 -8.802 -8.715 1.00 0.42 H new ATOM 0 HA LYS A 8 -2.938 -9.952 -11.282 1.00 24.53 H new ATOM 0 HB2 LYS A 8 -1.974 -11.860 -10.330 1.00 42.12 H new ATOM 0 HB3 LYS A 8 -1.336 -10.570 -9.329 1.00 42.12 H new ATOM 0 HG2 LYS A 8 -3.451 -11.116 -7.810 1.00 72.11 H new ATOM 0 HG3 LYS A 8 -3.404 -12.653 -8.650 1.00 72.11 H new ATOM 0 HD2 LYS A 8 -1.142 -11.407 -7.043 1.00 22.24 H new ATOM 0 HD3 LYS A 8 -2.129 -12.770 -6.557 1.00 22.24 H new ATOM 0 HE2 LYS A 8 -1.207 -14.152 -8.347 1.00 51.42 H new ATOM 0 HE3 LYS A 8 -0.338 -12.784 -9.013 1.00 51.42 H new ATOM 0 HZ1 LYS A 8 0.915 -14.392 -7.493 1.00 54.04 H new ATOM 0 HZ2 LYS A 8 1.127 -12.729 -7.223 1.00 54.04 H new ATOM 0 HZ3 LYS A 8 0.105 -13.629 -6.210 1.00 54.04 H new ATOM 144 N ASN A 9 -5.480 -10.272 -9.273 1.00 24.15 N ATOM 145 CA ASN A 9 -6.893 -10.676 -9.222 1.00 31.33 C ATOM 146 C ASN A 9 -7.625 -10.284 -10.518 1.00 5.34 C ATOM 147 O ASN A 9 -8.575 -10.949 -10.937 1.00 10.30 O ATOM 148 CB ASN A 9 -7.588 -10.047 -8.004 1.00 52.41 C ATOM 149 CG ASN A 9 -9.070 -10.380 -7.940 1.00 53.24 C ATOM 150 OD1 ASN A 9 -9.909 -9.643 -8.442 1.00 21.10 O ATOM 151 ND2 ASN A 9 -9.405 -11.502 -7.337 1.00 42.13 N ATOM 0 H ASN A 9 -5.193 -9.651 -8.516 1.00 24.15 H new ATOM 0 HA ASN A 9 -6.931 -11.761 -9.125 1.00 31.33 H new ATOM 0 HB2 ASN A 9 -7.102 -10.395 -7.093 1.00 52.41 H new ATOM 0 HB3 ASN A 9 -7.464 -8.965 -8.038 1.00 52.41 H new ATOM 0 HD21 ASN A 9 -10.386 -11.777 -7.279 1.00 42.13 H new ATOM 0 HD22 ASN A 9 -8.684 -12.096 -6.928 1.00 42.13 H new ATOM 158 N TYR A 10 -7.171 -9.201 -11.144 1.00 34.23 N ATOM 159 CA TYR A 10 -7.710 -8.762 -12.433 1.00 12.04 C ATOM 160 C TYR A 10 -6.599 -8.238 -13.361 1.00 14.12 C ATOM 161 O TYR A 10 -6.502 -7.039 -13.626 1.00 34.41 O ATOM 162 CB TYR A 10 -8.821 -7.706 -12.235 1.00 23.14 C ATOM 163 CG TYR A 10 -8.518 -6.627 -11.200 1.00 24.11 C ATOM 164 CD1 TYR A 10 -7.731 -5.522 -11.515 1.00 24.31 C ATOM 165 CD2 TYR A 10 -9.040 -6.707 -9.910 1.00 20.23 C ATOM 166 CE1 TYR A 10 -7.473 -4.538 -10.581 1.00 24.32 C ATOM 167 CE2 TYR A 10 -8.783 -5.726 -8.971 1.00 62.52 C ATOM 168 CZ TYR A 10 -8.000 -4.645 -9.312 1.00 54.15 C ATOM 169 OH TYR A 10 -7.751 -3.660 -8.382 1.00 12.34 O ATOM 0 H TYR A 10 -6.427 -8.607 -10.779 1.00 34.23 H new ATOM 0 HA TYR A 10 -8.155 -9.630 -12.919 1.00 12.04 H new ATOM 0 HB2 TYR A 10 -9.015 -7.223 -13.193 1.00 23.14 H new ATOM 0 HB3 TYR A 10 -9.738 -8.218 -11.944 1.00 23.14 H new ATOM 0 HD1 TYR A 10 -7.315 -5.433 -12.508 1.00 24.31 H new ATOM 0 HD2 TYR A 10 -9.657 -7.551 -9.639 1.00 20.23 H new ATOM 0 HE1 TYR A 10 -6.861 -3.688 -10.844 1.00 24.32 H new ATOM 0 HE2 TYR A 10 -9.194 -5.806 -7.975 1.00 62.52 H new ATOM 0 HH TYR A 10 -6.992 -3.924 -7.821 1.00 12.34 H new ATOM 179 N GLN A 11 -5.747 -9.147 -13.847 1.00 54.15 N ATOM 180 CA GLN A 11 -4.692 -8.777 -14.799 1.00 52.51 C ATOM 181 C GLN A 11 -5.313 -8.182 -16.074 1.00 44.42 C ATOM 182 O GLN A 11 -5.631 -8.897 -17.028 1.00 25.14 O ATOM 183 CB GLN A 11 -3.811 -9.991 -15.142 1.00 51.33 C ATOM 184 CG GLN A 11 -2.661 -9.681 -16.106 1.00 2.42 C ATOM 185 CD GLN A 11 -1.647 -8.694 -15.539 1.00 53.11 C ATOM 186 OE1 GLN A 11 -1.414 -8.638 -14.339 1.00 10.33 O ATOM 187 NE2 GLN A 11 -1.035 -7.903 -16.401 1.00 23.44 N ATOM 0 H GLN A 11 -5.766 -10.136 -13.600 1.00 54.15 H new ATOM 0 HA GLN A 11 -4.058 -8.023 -14.333 1.00 52.51 H new ATOM 0 HB2 GLN A 11 -3.397 -10.397 -14.219 1.00 51.33 H new ATOM 0 HB3 GLN A 11 -4.437 -10.768 -15.580 1.00 51.33 H new ATOM 0 HG2 GLN A 11 -2.150 -10.609 -16.361 1.00 2.42 H new ATOM 0 HG3 GLN A 11 -3.071 -9.278 -17.032 1.00 2.42 H new ATOM 0 HE21 GLN A 11 -1.248 -7.971 -17.396 1.00 23.44 H new ATOM 0 HE22 GLN A 11 -0.349 -7.224 -16.072 1.00 23.44 H new ATOM 196 N HIS A 12 -5.522 -6.871 -16.055 1.00 65.12 N ATOM 197 CA HIS A 12 -6.208 -6.177 -17.144 1.00 2.25 C ATOM 198 C HIS A 12 -5.300 -5.997 -18.373 1.00 4.23 C ATOM 199 O HIS A 12 -5.641 -6.436 -19.472 1.00 23.55 O ATOM 200 CB HIS A 12 -6.721 -4.816 -16.652 1.00 63.10 C ATOM 201 CG HIS A 12 -7.704 -4.155 -17.575 1.00 24.10 C ATOM 202 ND1 HIS A 12 -8.258 -2.923 -17.317 1.00 30.23 N ATOM 203 CD2 HIS A 12 -8.246 -4.565 -18.749 1.00 23.14 C ATOM 204 CE1 HIS A 12 -9.092 -2.603 -18.283 1.00 62.11 C ATOM 205 NE2 HIS A 12 -9.104 -3.580 -19.165 1.00 12.10 N ATOM 0 H HIS A 12 -5.225 -6.262 -15.293 1.00 65.12 H new ATOM 0 HA HIS A 12 -7.052 -6.793 -17.454 1.00 2.25 H new ATOM 0 HB2 HIS A 12 -7.189 -4.948 -15.677 1.00 63.10 H new ATOM 0 HB3 HIS A 12 -5.870 -4.150 -16.510 1.00 63.10 H new ATOM 0 HD2 HIS A 12 -8.040 -5.494 -19.260 1.00 23.14 H new ATOM 0 HE1 HIS A 12 -9.669 -1.692 -18.342 1.00 62.11 H new ATOM 0 HE2 HIS A 12 -9.661 -3.601 -20.019 1.00 12.10 H new ATOM 214 N LEU A 13 -4.154 -5.340 -18.191 1.00 31.21 N ATOM 215 CA LEU A 13 -3.238 -5.064 -19.308 1.00 32.33 C ATOM 216 C LEU A 13 -1.834 -5.656 -19.051 1.00 65.31 C ATOM 217 O LEU A 13 -1.634 -6.866 -19.169 1.00 4.53 O ATOM 218 CB LEU A 13 -3.153 -3.547 -19.565 1.00 53.02 C ATOM 219 CG LEU A 13 -4.487 -2.841 -19.872 1.00 42.21 C ATOM 220 CD1 LEU A 13 -4.276 -1.340 -20.068 1.00 11.12 C ATOM 221 CD2 LEU A 13 -5.157 -3.456 -21.099 1.00 60.42 C ATOM 0 H LEU A 13 -3.835 -4.989 -17.288 1.00 31.21 H new ATOM 0 HA LEU A 13 -3.638 -5.549 -20.198 1.00 32.33 H new ATOM 0 HB2 LEU A 13 -2.707 -3.074 -18.690 1.00 53.02 H new ATOM 0 HB3 LEU A 13 -2.474 -3.377 -20.400 1.00 53.02 H new ATOM 0 HG LEU A 13 -5.148 -2.982 -19.017 1.00 42.21 H new ATOM 0 HD11 LEU A 13 -5.232 -0.863 -20.284 1.00 11.12 H new ATOM 0 HD12 LEU A 13 -3.853 -0.910 -19.160 1.00 11.12 H new ATOM 0 HD13 LEU A 13 -3.592 -1.174 -20.900 1.00 11.12 H new ATOM 0 HD21 LEU A 13 -6.097 -2.941 -21.296 1.00 60.42 H new ATOM 0 HD22 LEU A 13 -4.499 -3.354 -21.962 1.00 60.42 H new ATOM 0 HD23 LEU A 13 -5.353 -4.512 -20.915 1.00 60.42 H new ATOM 233 N ARG A 14 -0.871 -4.805 -18.682 1.00 53.31 N ATOM 234 CA ARG A 14 0.512 -5.248 -18.436 1.00 71.35 C ATOM 235 C ARG A 14 1.222 -4.297 -17.458 1.00 5.51 C ATOM 236 O ARG A 14 2.421 -4.036 -17.574 1.00 2.11 O ATOM 237 CB ARG A 14 1.303 -5.363 -19.761 1.00 23.21 C ATOM 238 CG ARG A 14 1.444 -4.064 -20.565 1.00 44.00 C ATOM 239 CD ARG A 14 0.138 -3.636 -21.234 1.00 42.24 C ATOM 240 NE ARG A 14 -0.435 -4.695 -22.065 1.00 65.13 N ATOM 241 CZ ARG A 14 -1.398 -4.515 -22.933 1.00 40.43 C ATOM 242 NH1 ARG A 14 -1.875 -3.332 -23.159 1.00 33.32 N ATOM 243 NH2 ARG A 14 -1.873 -5.523 -23.589 1.00 20.01 N ATOM 0 H ARG A 14 -1.020 -3.805 -18.546 1.00 53.31 H new ATOM 0 HA ARG A 14 0.472 -6.238 -17.982 1.00 71.35 H new ATOM 0 HB2 ARG A 14 2.301 -5.740 -19.536 1.00 23.21 H new ATOM 0 HB3 ARG A 14 0.816 -6.108 -20.391 1.00 23.21 H new ATOM 0 HG2 ARG A 14 1.786 -3.268 -19.903 1.00 44.00 H new ATOM 0 HG3 ARG A 14 2.211 -4.196 -21.328 1.00 44.00 H new ATOM 0 HD2 ARG A 14 -0.582 -3.349 -20.468 1.00 42.24 H new ATOM 0 HD3 ARG A 14 0.319 -2.754 -21.848 1.00 42.24 H new ATOM 0 HE ARG A 14 -0.059 -5.637 -21.961 1.00 65.13 H new ATOM 0 HH11 ARG A 14 -1.500 -2.527 -22.658 1.00 33.32 H new ATOM 0 HH12 ARG A 14 -2.626 -3.206 -23.838 1.00 33.32 H new ATOM 0 HH21 ARG A 14 -1.497 -6.458 -23.430 1.00 20.01 H new ATOM 0 HH22 ARG A 14 -2.623 -5.383 -24.266 1.00 20.01 H new ATOM 257 N ASP A 15 0.458 -3.810 -16.482 1.00 52.14 N ATOM 258 CA ASP A 15 0.942 -2.854 -15.480 1.00 54.14 C ATOM 259 C ASP A 15 2.186 -3.374 -14.732 1.00 34.53 C ATOM 260 O ASP A 15 2.097 -4.300 -13.926 1.00 44.20 O ATOM 261 CB ASP A 15 -0.187 -2.554 -14.490 1.00 13.31 C ATOM 262 CG ASP A 15 -1.430 -2.026 -15.189 1.00 63.41 C ATOM 263 OD1 ASP A 15 -2.012 -2.762 -16.017 1.00 72.34 O ATOM 264 OD2 ASP A 15 -1.814 -0.866 -14.936 1.00 31.22 O ATOM 0 H ASP A 15 -0.521 -4.068 -16.361 1.00 52.14 H new ATOM 0 HA ASP A 15 1.242 -1.942 -15.996 1.00 54.14 H new ATOM 0 HB2 ASP A 15 -0.438 -3.461 -13.940 1.00 13.31 H new ATOM 0 HB3 ASP A 15 0.157 -1.822 -13.759 1.00 13.31 H new ATOM 269 N PRO A 16 3.363 -2.762 -14.976 1.00 21.32 N ATOM 270 CA PRO A 16 4.637 -3.239 -14.415 1.00 45.00 C ATOM 271 C PRO A 16 4.890 -2.792 -12.966 1.00 53.11 C ATOM 272 O PRO A 16 5.821 -3.275 -12.331 1.00 11.01 O ATOM 273 CB PRO A 16 5.665 -2.605 -15.356 1.00 53.14 C ATOM 274 CG PRO A 16 5.042 -1.314 -15.772 1.00 31.42 C ATOM 275 CD PRO A 16 3.552 -1.563 -15.826 1.00 2.14 C ATOM 0 HA PRO A 16 4.669 -4.327 -14.359 1.00 45.00 H new ATOM 0 HB2 PRO A 16 6.618 -2.442 -14.852 1.00 53.14 H new ATOM 0 HB3 PRO A 16 5.865 -3.245 -16.216 1.00 53.14 H new ATOM 0 HG2 PRO A 16 5.279 -0.521 -15.063 1.00 31.42 H new ATOM 0 HG3 PRO A 16 5.419 -0.995 -16.744 1.00 31.42 H new ATOM 0 HD2 PRO A 16 2.990 -0.710 -15.445 1.00 2.14 H new ATOM 0 HD3 PRO A 16 3.212 -1.739 -16.847 1.00 2.14 H new ATOM 283 N SER A 17 4.054 -1.889 -12.450 1.00 4.25 N ATOM 284 CA SER A 17 4.252 -1.289 -11.112 1.00 31.30 C ATOM 285 C SER A 17 4.648 -2.328 -10.040 1.00 63.31 C ATOM 286 O SER A 17 5.787 -2.336 -9.555 1.00 2.33 O ATOM 287 CB SER A 17 2.978 -0.550 -10.672 1.00 22.24 C ATOM 288 OG SER A 17 2.622 0.466 -11.601 1.00 2.12 O ATOM 0 H SER A 17 3.224 -1.549 -12.937 1.00 4.25 H new ATOM 0 HA SER A 17 5.081 -0.587 -11.201 1.00 31.30 H new ATOM 0 HB2 SER A 17 2.158 -1.261 -10.576 1.00 22.24 H new ATOM 0 HB3 SER A 17 3.133 -0.108 -9.688 1.00 22.24 H new ATOM 0 HG SER A 17 1.807 0.917 -11.296 1.00 2.12 H new ATOM 294 N GLU A 18 3.718 -3.215 -9.684 1.00 33.32 N ATOM 295 CA GLU A 18 3.987 -4.240 -8.663 1.00 13.12 C ATOM 296 C GLU A 18 5.130 -5.180 -9.075 1.00 72.25 C ATOM 297 O GLU A 18 5.920 -5.604 -8.239 1.00 23.40 O ATOM 298 CB GLU A 18 2.718 -5.049 -8.357 1.00 20.55 C ATOM 299 CG GLU A 18 1.658 -4.263 -7.588 1.00 62.42 C ATOM 300 CD GLU A 18 2.190 -3.682 -6.280 1.00 21.20 C ATOM 301 OE1 GLU A 18 2.554 -4.470 -5.376 1.00 71.53 O ATOM 302 OE2 GLU A 18 2.263 -2.439 -6.160 1.00 64.23 O ATOM 0 H GLU A 18 2.779 -3.249 -10.081 1.00 33.32 H new ATOM 0 HA GLU A 18 4.301 -3.717 -7.760 1.00 13.12 H new ATOM 0 HB2 GLU A 18 2.287 -5.401 -9.295 1.00 20.55 H new ATOM 0 HB3 GLU A 18 2.992 -5.933 -7.780 1.00 20.55 H new ATOM 0 HG2 GLU A 18 1.285 -3.453 -8.216 1.00 62.42 H new ATOM 0 HG3 GLU A 18 0.812 -4.916 -7.373 1.00 62.42 H new ATOM 309 N TYR A 19 5.226 -5.486 -10.365 1.00 23.15 N ATOM 310 CA TYR A 19 6.286 -6.366 -10.876 1.00 40.43 C ATOM 311 C TYR A 19 7.680 -5.741 -10.678 1.00 4.33 C ATOM 312 O TYR A 19 8.643 -6.432 -10.343 1.00 12.14 O ATOM 313 CB TYR A 19 6.033 -6.686 -12.357 1.00 1.11 C ATOM 314 CG TYR A 19 4.757 -7.480 -12.584 1.00 71.11 C ATOM 315 CD1 TYR A 19 3.515 -6.852 -12.589 1.00 32.25 C ATOM 316 CD2 TYR A 19 4.793 -8.858 -12.776 1.00 12.42 C ATOM 317 CE1 TYR A 19 2.350 -7.570 -12.781 1.00 14.35 C ATOM 318 CE2 TYR A 19 3.631 -9.584 -12.967 1.00 20.34 C ATOM 319 CZ TYR A 19 2.413 -8.936 -12.970 1.00 73.42 C ATOM 320 OH TYR A 19 1.253 -9.660 -13.150 1.00 32.12 O ATOM 0 H TYR A 19 4.586 -5.141 -11.080 1.00 23.15 H new ATOM 0 HA TYR A 19 6.264 -7.295 -10.307 1.00 40.43 H new ATOM 0 HB2 TYR A 19 5.980 -5.754 -12.920 1.00 1.11 H new ATOM 0 HB3 TYR A 19 6.879 -7.249 -12.751 1.00 1.11 H new ATOM 0 HD1 TYR A 19 3.461 -5.784 -12.440 1.00 32.25 H new ATOM 0 HD2 TYR A 19 5.744 -9.369 -12.776 1.00 12.42 H new ATOM 0 HE1 TYR A 19 1.395 -7.065 -12.783 1.00 14.35 H new ATOM 0 HE2 TYR A 19 3.677 -10.653 -13.113 1.00 20.34 H new ATOM 0 HH TYR A 19 0.563 -9.082 -13.538 1.00 32.12 H new ATOM 330 N MET A 20 7.772 -4.425 -10.856 1.00 21.51 N ATOM 331 CA MET A 20 9.036 -3.700 -10.675 1.00 20.41 C ATOM 332 C MET A 20 9.391 -3.564 -9.184 1.00 50.12 C ATOM 333 O MET A 20 10.549 -3.358 -8.826 1.00 73.05 O ATOM 334 CB MET A 20 8.953 -2.316 -11.339 1.00 43.40 C ATOM 335 CG MET A 20 8.739 -2.380 -12.847 1.00 34.13 C ATOM 336 SD MET A 20 8.573 -0.751 -13.602 1.00 60.34 S ATOM 337 CE MET A 20 10.179 -0.042 -13.242 1.00 44.32 C ATOM 0 H MET A 20 6.986 -3.834 -11.126 1.00 21.51 H new ATOM 0 HA MET A 20 9.829 -4.274 -11.155 1.00 20.41 H new ATOM 0 HB2 MET A 20 8.136 -1.753 -10.887 1.00 43.40 H new ATOM 0 HB3 MET A 20 9.872 -1.767 -11.133 1.00 43.40 H new ATOM 0 HG2 MET A 20 9.577 -2.904 -13.306 1.00 34.13 H new ATOM 0 HG3 MET A 20 7.844 -2.965 -13.057 1.00 34.13 H new ATOM 0 HE1 MET A 20 10.348 0.822 -13.885 1.00 44.32 H new ATOM 0 HE2 MET A 20 10.213 0.271 -12.198 1.00 44.32 H new ATOM 0 HE3 MET A 20 10.954 -0.787 -13.423 1.00 44.32 H new ATOM 347 N SER A 21 8.384 -3.663 -8.320 1.00 41.12 N ATOM 348 CA SER A 21 8.615 -3.712 -6.864 1.00 45.33 C ATOM 349 C SER A 21 8.743 -5.162 -6.358 1.00 23.02 C ATOM 350 O SER A 21 9.248 -5.406 -5.261 1.00 3.33 O ATOM 351 CB SER A 21 7.480 -3.004 -6.113 1.00 13.43 C ATOM 352 OG SER A 21 7.390 -1.635 -6.482 1.00 0.21 O ATOM 0 H SER A 21 7.402 -3.711 -8.593 1.00 41.12 H new ATOM 0 HA SER A 21 9.555 -3.196 -6.668 1.00 45.33 H new ATOM 0 HB2 SER A 21 6.534 -3.503 -6.325 1.00 13.43 H new ATOM 0 HB3 SER A 21 7.648 -3.083 -5.039 1.00 13.43 H new ATOM 0 HG SER A 21 6.657 -1.211 -5.989 1.00 0.21 H new ATOM 358 N GLN A 22 8.270 -6.113 -7.161 1.00 30.22 N ATOM 359 CA GLN A 22 8.340 -7.543 -6.822 1.00 43.23 C ATOM 360 C GLN A 22 9.715 -8.135 -7.180 1.00 43.05 C ATOM 361 O GLN A 22 10.156 -9.115 -6.582 1.00 43.10 O ATOM 362 CB GLN A 22 7.226 -8.306 -7.566 1.00 24.42 C ATOM 363 CG GLN A 22 7.195 -9.816 -7.315 1.00 14.40 C ATOM 364 CD GLN A 22 6.743 -10.198 -5.910 1.00 43.13 C ATOM 365 OE1 GLN A 22 5.954 -9.503 -5.279 1.00 10.55 O ATOM 366 NE2 GLN A 22 7.225 -11.321 -5.419 1.00 51.24 N ATOM 0 H GLN A 22 7.829 -5.922 -8.061 1.00 30.22 H new ATOM 0 HA GLN A 22 8.200 -7.648 -5.746 1.00 43.23 H new ATOM 0 HB2 GLN A 22 6.263 -7.885 -7.277 1.00 24.42 H new ATOM 0 HB3 GLN A 22 7.341 -8.133 -8.636 1.00 24.42 H new ATOM 0 HG2 GLN A 22 6.528 -10.282 -8.040 1.00 14.40 H new ATOM 0 HG3 GLN A 22 8.190 -10.224 -7.490 1.00 14.40 H new ATOM 0 HE21 GLN A 22 7.880 -11.878 -5.968 1.00 51.24 H new ATOM 0 HE22 GLN A 22 6.943 -11.634 -4.490 1.00 51.24 H new ATOM 375 N VAL A 23 10.381 -7.539 -8.171 1.00 52.21 N ATOM 376 CA VAL A 23 11.690 -8.015 -8.632 1.00 31.51 C ATOM 377 C VAL A 23 12.754 -8.065 -7.513 1.00 54.12 C ATOM 378 O VAL A 23 13.390 -7.069 -7.169 1.00 11.31 O ATOM 379 CB VAL A 23 12.221 -7.174 -9.826 1.00 64.10 C ATOM 380 CG1 VAL A 23 12.356 -5.696 -9.461 1.00 15.35 C ATOM 381 CG2 VAL A 23 13.548 -7.739 -10.334 1.00 44.21 C ATOM 0 H VAL A 23 10.034 -6.722 -8.673 1.00 52.21 H new ATOM 0 HA VAL A 23 11.520 -9.039 -8.964 1.00 31.51 H new ATOM 0 HB VAL A 23 11.489 -7.241 -10.630 1.00 64.10 H new ATOM 0 HG11 VAL A 23 12.730 -5.141 -10.322 1.00 15.35 H new ATOM 0 HG12 VAL A 23 11.382 -5.302 -9.171 1.00 15.35 H new ATOM 0 HG13 VAL A 23 13.053 -5.589 -8.630 1.00 15.35 H new ATOM 0 HG21 VAL A 23 13.904 -7.137 -11.170 1.00 44.21 H new ATOM 0 HG22 VAL A 23 14.285 -7.716 -9.531 1.00 44.21 H new ATOM 0 HG23 VAL A 23 13.403 -8.768 -10.664 1.00 44.21 H new ATOM 391 N TYR A 24 12.940 -9.254 -6.960 1.00 60.41 N ATOM 392 CA TYR A 24 14.015 -9.524 -5.995 1.00 34.33 C ATOM 393 C TYR A 24 15.335 -9.846 -6.724 1.00 71.21 C ATOM 394 O TYR A 24 16.025 -10.818 -6.407 1.00 71.34 O ATOM 395 CB TYR A 24 13.598 -10.680 -5.061 1.00 24.40 C ATOM 396 CG TYR A 24 12.680 -11.683 -5.729 1.00 23.22 C ATOM 397 CD1 TYR A 24 13.187 -12.677 -6.552 1.00 41.41 C ATOM 398 CD2 TYR A 24 11.301 -11.602 -5.571 1.00 43.24 C ATOM 399 CE1 TYR A 24 12.350 -13.565 -7.194 1.00 44.44 C ATOM 400 CE2 TYR A 24 10.458 -12.478 -6.217 1.00 21.43 C ATOM 401 CZ TYR A 24 10.987 -13.457 -7.026 1.00 51.23 C ATOM 402 OH TYR A 24 10.149 -14.313 -7.687 1.00 32.31 O ATOM 0 H TYR A 24 12.354 -10.064 -7.162 1.00 60.41 H new ATOM 0 HA TYR A 24 14.183 -8.632 -5.391 1.00 34.33 H new ATOM 0 HB2 TYR A 24 14.492 -11.194 -4.708 1.00 24.40 H new ATOM 0 HB3 TYR A 24 13.099 -10.268 -4.184 1.00 24.40 H new ATOM 0 HD1 TYR A 24 14.255 -12.757 -6.692 1.00 41.41 H new ATOM 0 HD2 TYR A 24 10.884 -10.839 -4.931 1.00 43.24 H new ATOM 0 HE1 TYR A 24 12.760 -14.340 -7.824 1.00 44.44 H new ATOM 0 HE2 TYR A 24 9.389 -12.397 -6.090 1.00 21.43 H new ATOM 0 HH TYR A 24 10.609 -15.163 -7.846 1.00 32.31 H new ATOM 412 N GLY A 25 15.666 -9.018 -7.714 1.00 24.10 N ATOM 413 CA GLY A 25 16.895 -9.188 -8.484 1.00 20.30 C ATOM 414 C GLY A 25 17.224 -7.960 -9.333 1.00 22.11 C ATOM 415 O GLY A 25 17.441 -6.870 -8.799 1.00 35.42 O ATOM 0 H GLY A 25 15.098 -8.221 -8.001 1.00 24.10 H new ATOM 0 HA2 GLY A 25 17.722 -9.388 -7.803 1.00 20.30 H new ATOM 0 HA3 GLY A 25 16.797 -10.059 -9.132 1.00 20.30 H new ATOM 419 N ASP A 26 17.257 -8.130 -10.653 1.00 64.30 N ATOM 420 CA ASP A 26 17.494 -7.017 -11.579 1.00 31.31 C ATOM 421 C ASP A 26 16.172 -6.517 -12.197 1.00 15.13 C ATOM 422 O ASP A 26 15.465 -7.277 -12.858 1.00 64.21 O ATOM 423 CB ASP A 26 18.469 -7.454 -12.679 1.00 62.55 C ATOM 424 CG ASP A 26 19.844 -7.782 -12.122 1.00 21.53 C ATOM 425 OD1 ASP A 26 20.632 -6.838 -11.897 1.00 74.54 O ATOM 426 OD2 ASP A 26 20.139 -8.975 -11.904 1.00 55.32 O ATOM 0 H ASP A 26 17.122 -9.032 -11.110 1.00 64.30 H new ATOM 0 HA ASP A 26 17.933 -6.191 -11.020 1.00 31.31 H new ATOM 0 HB2 ASP A 26 18.068 -8.328 -13.193 1.00 62.55 H new ATOM 0 HB3 ASP A 26 18.558 -6.661 -13.421 1.00 62.55 H new ATOM 431 N PRO A 27 15.820 -5.227 -11.995 1.00 32.13 N ATOM 432 CA PRO A 27 14.547 -4.662 -12.483 1.00 44.14 C ATOM 433 C PRO A 27 14.329 -4.881 -13.991 1.00 73.22 C ATOM 434 O PRO A 27 13.200 -5.084 -14.441 1.00 50.05 O ATOM 435 CB PRO A 27 14.657 -3.160 -12.150 1.00 54.14 C ATOM 436 CG PRO A 27 16.102 -2.925 -11.846 1.00 42.23 C ATOM 437 CD PRO A 27 16.625 -4.219 -11.285 1.00 2.13 C ATOM 0 HA PRO A 27 13.690 -5.147 -12.015 1.00 44.14 H new ATOM 0 HB2 PRO A 27 14.327 -2.547 -12.989 1.00 54.14 H new ATOM 0 HB3 PRO A 27 14.029 -2.900 -11.298 1.00 54.14 H new ATOM 0 HG2 PRO A 27 16.648 -2.641 -12.745 1.00 42.23 H new ATOM 0 HG3 PRO A 27 16.223 -2.112 -11.130 1.00 42.23 H new ATOM 0 HD2 PRO A 27 17.691 -4.343 -11.478 1.00 2.13 H new ATOM 0 HD3 PRO A 27 16.487 -4.278 -10.205 1.00 2.13 H new ATOM 445 N LEU A 28 15.421 -4.868 -14.760 1.00 33.41 N ATOM 446 CA LEU A 28 15.360 -5.097 -16.212 1.00 33.11 C ATOM 447 C LEU A 28 14.716 -6.458 -16.523 1.00 5.01 C ATOM 448 O LEU A 28 13.979 -6.613 -17.505 1.00 34.23 O ATOM 449 CB LEU A 28 16.767 -5.040 -16.840 1.00 24.03 C ATOM 450 CG LEU A 28 17.511 -3.691 -16.749 1.00 22.45 C ATOM 451 CD1 LEU A 28 17.931 -3.376 -15.312 1.00 11.13 C ATOM 452 CD2 LEU A 28 18.727 -3.695 -17.675 1.00 0.23 C ATOM 0 H LEU A 28 16.362 -4.701 -14.403 1.00 33.41 H new ATOM 0 HA LEU A 28 14.748 -4.305 -16.644 1.00 33.11 H new ATOM 0 HB2 LEU A 28 17.384 -5.802 -16.363 1.00 24.03 H new ATOM 0 HB3 LEU A 28 16.682 -5.311 -17.892 1.00 24.03 H new ATOM 0 HG LEU A 28 16.824 -2.908 -17.070 1.00 22.45 H new ATOM 0 HD11 LEU A 28 18.452 -2.419 -15.287 1.00 11.13 H new ATOM 0 HD12 LEU A 28 17.046 -3.324 -14.677 1.00 11.13 H new ATOM 0 HD13 LEU A 28 18.594 -4.160 -14.947 1.00 11.13 H new ATOM 0 HD21 LEU A 28 19.243 -2.738 -17.602 1.00 0.23 H new ATOM 0 HD22 LEU A 28 19.405 -4.496 -17.382 1.00 0.23 H new ATOM 0 HD23 LEU A 28 18.401 -3.854 -18.703 1.00 0.23 H new ATOM 464 N ALA A 29 14.992 -7.436 -15.668 1.00 12.55 N ATOM 465 CA ALA A 29 14.454 -8.784 -15.825 1.00 75.40 C ATOM 466 C ALA A 29 12.922 -8.802 -15.704 1.00 34.50 C ATOM 467 O ALA A 29 12.231 -9.344 -16.565 1.00 70.24 O ATOM 468 CB ALA A 29 15.088 -9.708 -14.797 1.00 43.12 C ATOM 0 H ALA A 29 15.591 -7.319 -14.851 1.00 12.55 H new ATOM 0 HA ALA A 29 14.700 -9.137 -16.827 1.00 75.40 H new ATOM 0 HB1 ALA A 29 14.686 -10.714 -14.915 1.00 43.12 H new ATOM 0 HB2 ALA A 29 16.168 -9.729 -14.944 1.00 43.12 H new ATOM 0 HB3 ALA A 29 14.866 -9.344 -13.794 1.00 43.12 H new ATOM 474 N TYR A 30 12.391 -8.189 -14.644 1.00 31.43 N ATOM 475 CA TYR A 30 10.935 -8.141 -14.443 1.00 32.03 C ATOM 476 C TYR A 30 10.237 -7.216 -15.453 1.00 42.04 C ATOM 477 O TYR A 30 9.017 -7.276 -15.616 1.00 64.42 O ATOM 478 CB TYR A 30 10.578 -7.753 -13.000 1.00 11.04 C ATOM 479 CG TYR A 30 10.156 -8.941 -12.143 1.00 20.40 C ATOM 480 CD1 TYR A 30 11.075 -9.906 -11.743 1.00 32.45 C ATOM 481 CD2 TYR A 30 8.832 -9.097 -11.741 1.00 62.12 C ATOM 482 CE1 TYR A 30 10.688 -10.984 -10.967 1.00 73.52 C ATOM 483 CE2 TYR A 30 8.440 -10.172 -10.965 1.00 42.33 C ATOM 484 CZ TYR A 30 9.371 -11.113 -10.579 1.00 54.54 C ATOM 485 OH TYR A 30 8.984 -12.187 -9.804 1.00 10.23 O ATOM 0 H TYR A 30 12.936 -7.724 -13.918 1.00 31.43 H new ATOM 0 HA TYR A 30 10.562 -9.150 -14.622 1.00 32.03 H new ATOM 0 HB2 TYR A 30 11.438 -7.268 -12.538 1.00 11.04 H new ATOM 0 HB3 TYR A 30 9.770 -7.021 -13.017 1.00 11.04 H new ATOM 0 HD1 TYR A 30 12.108 -9.812 -12.043 1.00 32.45 H new ATOM 0 HD2 TYR A 30 8.097 -8.364 -12.041 1.00 62.12 H new ATOM 0 HE1 TYR A 30 11.416 -11.723 -10.666 1.00 73.52 H new ATOM 0 HE2 TYR A 30 7.408 -10.274 -10.662 1.00 42.33 H new ATOM 0 HH TYR A 30 9.664 -12.359 -9.120 1.00 10.23 H new ATOM 495 N LEU A 31 11.002 -6.357 -16.127 1.00 55.12 N ATOM 496 CA LEU A 31 10.477 -5.625 -17.283 1.00 34.30 C ATOM 497 C LEU A 31 10.143 -6.619 -18.406 1.00 51.43 C ATOM 498 O LEU A 31 9.051 -6.594 -18.978 1.00 44.23 O ATOM 499 CB LEU A 31 11.487 -4.579 -17.779 1.00 65.25 C ATOM 500 CG LEU A 31 11.783 -3.431 -16.798 1.00 54.13 C ATOM 501 CD1 LEU A 31 12.813 -2.463 -17.381 1.00 54.24 C ATOM 502 CD2 LEU A 31 10.496 -2.694 -16.428 1.00 23.44 C ATOM 0 H LEU A 31 11.974 -6.152 -15.898 1.00 55.12 H new ATOM 0 HA LEU A 31 9.572 -5.097 -16.983 1.00 34.30 H new ATOM 0 HB2 LEU A 31 12.424 -5.085 -18.013 1.00 65.25 H new ATOM 0 HB3 LEU A 31 11.115 -4.152 -18.710 1.00 65.25 H new ATOM 0 HG LEU A 31 12.205 -3.863 -15.890 1.00 54.13 H new ATOM 0 HD11 LEU A 31 13.004 -1.661 -16.667 1.00 54.24 H new ATOM 0 HD12 LEU A 31 13.741 -2.998 -17.583 1.00 54.24 H new ATOM 0 HD13 LEU A 31 12.429 -2.039 -18.309 1.00 54.24 H new ATOM 0 HD21 LEU A 31 10.726 -1.886 -15.734 1.00 23.44 H new ATOM 0 HD22 LEU A 31 10.042 -2.280 -17.328 1.00 23.44 H new ATOM 0 HD23 LEU A 31 9.801 -3.389 -15.958 1.00 23.44 H new ATOM 514 N GLN A 32 11.095 -7.509 -18.697 1.00 11.34 N ATOM 515 CA GLN A 32 10.861 -8.628 -19.623 1.00 10.54 C ATOM 516 C GLN A 32 9.677 -9.492 -19.143 1.00 73.32 C ATOM 517 O GLN A 32 8.819 -9.895 -19.936 1.00 54.13 O ATOM 518 CB GLN A 32 12.131 -9.490 -19.725 1.00 54.40 C ATOM 519 CG GLN A 32 12.048 -10.629 -20.740 1.00 64.41 C ATOM 520 CD GLN A 32 11.966 -10.140 -22.179 1.00 5.42 C ATOM 521 OE1 GLN A 32 12.452 -9.066 -22.517 1.00 51.22 O ATOM 522 NE2 GLN A 32 11.381 -10.940 -23.043 1.00 62.54 N ATOM 0 H GLN A 32 12.037 -7.479 -18.306 1.00 11.34 H new ATOM 0 HA GLN A 32 10.617 -8.224 -20.605 1.00 10.54 H new ATOM 0 HB2 GLN A 32 12.970 -8.847 -19.989 1.00 54.40 H new ATOM 0 HB3 GLN A 32 12.348 -9.911 -18.743 1.00 54.40 H new ATOM 0 HG2 GLN A 32 12.922 -11.271 -20.630 1.00 64.41 H new ATOM 0 HG3 GLN A 32 11.173 -11.241 -20.520 1.00 64.41 H new ATOM 0 HE21 GLN A 32 10.986 -11.827 -22.730 1.00 62.54 H new ATOM 0 HE22 GLN A 32 11.322 -10.674 -24.026 1.00 62.54 H new ATOM 531 N GLU A 33 9.654 -9.755 -17.835 1.00 51.23 N ATOM 532 CA GLU A 33 8.590 -10.529 -17.178 1.00 43.44 C ATOM 533 C GLU A 33 7.186 -9.996 -17.530 1.00 43.43 C ATOM 534 O GLU A 33 6.421 -10.637 -18.256 1.00 43.23 O ATOM 535 CB GLU A 33 8.793 -10.451 -15.658 1.00 73.24 C ATOM 536 CG GLU A 33 7.982 -11.449 -14.834 1.00 73.15 C ATOM 537 CD GLU A 33 8.698 -12.778 -14.645 1.00 14.22 C ATOM 538 OE1 GLU A 33 9.879 -12.761 -14.225 1.00 5.52 O ATOM 539 OE2 GLU A 33 8.086 -13.833 -14.913 1.00 64.54 O ATOM 0 H GLU A 33 10.379 -9.435 -17.193 1.00 51.23 H new ATOM 0 HA GLU A 33 8.651 -11.559 -17.530 1.00 43.44 H new ATOM 0 HB2 GLU A 33 9.851 -10.603 -15.442 1.00 73.24 H new ATOM 0 HB3 GLU A 33 8.541 -9.444 -15.327 1.00 73.24 H new ATOM 0 HG2 GLU A 33 7.766 -11.016 -13.857 1.00 73.15 H new ATOM 0 HG3 GLU A 33 7.024 -11.624 -15.324 1.00 73.15 H new ATOM 546 N THR A 34 6.869 -8.801 -17.024 1.00 64.05 N ATOM 547 CA THR A 34 5.531 -8.207 -17.190 1.00 4.42 C ATOM 548 C THR A 34 5.170 -7.967 -18.665 1.00 50.43 C ATOM 549 O THR A 34 4.001 -8.039 -19.048 1.00 72.11 O ATOM 550 CB THR A 34 5.412 -6.864 -16.423 1.00 41.31 C ATOM 551 OG1 THR A 34 4.077 -6.347 -16.526 1.00 61.54 O ATOM 552 CG2 THR A 34 6.397 -5.830 -16.958 1.00 25.34 C ATOM 0 H THR A 34 7.520 -8.221 -16.494 1.00 64.05 H new ATOM 0 HA THR A 34 4.831 -8.933 -16.777 1.00 4.42 H new ATOM 0 HB THR A 34 5.649 -7.061 -15.377 1.00 41.31 H new ATOM 0 HG1 THR A 34 4.092 -5.497 -17.013 1.00 61.54 H new ATOM 0 HG21 THR A 34 6.288 -4.900 -16.399 1.00 25.34 H new ATOM 0 HG22 THR A 34 7.415 -6.204 -16.845 1.00 25.34 H new ATOM 0 HG23 THR A 34 6.194 -5.645 -18.013 1.00 25.34 H new ATOM 560 N THR A 35 6.177 -7.682 -19.492 1.00 44.14 N ATOM 561 CA THR A 35 5.951 -7.399 -20.918 1.00 71.04 C ATOM 562 C THR A 35 5.543 -8.654 -21.709 1.00 72.15 C ATOM 563 O THR A 35 4.579 -8.626 -22.479 1.00 13.13 O ATOM 564 CB THR A 35 7.205 -6.769 -21.576 1.00 34.31 C ATOM 565 OG1 THR A 35 7.503 -5.509 -20.956 1.00 10.11 O ATOM 566 CG2 THR A 35 7.012 -6.557 -23.078 1.00 44.33 C ATOM 0 H THR A 35 7.155 -7.640 -19.205 1.00 44.14 H new ATOM 0 HA THR A 35 5.126 -6.687 -20.954 1.00 71.04 H new ATOM 0 HB THR A 35 8.033 -7.463 -21.433 1.00 34.31 H new ATOM 0 HG1 THR A 35 8.078 -5.656 -20.176 1.00 10.11 H new ATOM 0 HG21 THR A 35 7.913 -6.114 -23.502 1.00 44.33 H new ATOM 0 HG22 THR A 35 6.819 -7.516 -23.559 1.00 44.33 H new ATOM 0 HG23 THR A 35 6.166 -5.890 -23.246 1.00 44.33 H new ATOM 574 N LYS A 36 6.268 -9.755 -21.519 1.00 23.43 N ATOM 575 CA LYS A 36 6.009 -10.981 -22.288 1.00 12.21 C ATOM 576 C LYS A 36 4.834 -11.797 -21.729 1.00 54.05 C ATOM 577 O LYS A 36 4.009 -12.292 -22.500 1.00 32.34 O ATOM 578 CB LYS A 36 7.265 -11.857 -22.356 1.00 74.35 C ATOM 579 CG LYS A 36 8.394 -11.257 -23.188 1.00 52.23 C ATOM 580 CD LYS A 36 7.980 -11.017 -24.643 1.00 64.31 C ATOM 581 CE LYS A 36 7.505 -12.296 -25.328 1.00 62.41 C ATOM 582 NZ LYS A 36 7.163 -12.068 -26.755 1.00 25.20 N ATOM 0 H LYS A 36 7.032 -9.828 -20.848 1.00 23.43 H new ATOM 0 HA LYS A 36 5.734 -10.660 -23.293 1.00 12.21 H new ATOM 0 HB2 LYS A 36 7.628 -12.034 -21.343 1.00 74.35 H new ATOM 0 HB3 LYS A 36 6.997 -12.828 -22.773 1.00 74.35 H new ATOM 0 HG2 LYS A 36 8.709 -10.314 -22.742 1.00 52.23 H new ATOM 0 HG3 LYS A 36 9.255 -11.925 -23.163 1.00 52.23 H new ATOM 0 HD2 LYS A 36 7.184 -10.273 -24.674 1.00 64.31 H new ATOM 0 HD3 LYS A 36 8.824 -10.603 -25.195 1.00 64.31 H new ATOM 0 HE2 LYS A 36 8.284 -13.055 -25.259 1.00 62.41 H new ATOM 0 HE3 LYS A 36 6.632 -12.686 -24.804 1.00 62.41 H new ATOM 0 HZ1 LYS A 36 6.845 -12.961 -27.183 1.00 25.20 H new ATOM 0 HZ2 LYS A 36 6.402 -11.362 -26.821 1.00 25.20 H new ATOM 0 HZ3 LYS A 36 8.002 -11.721 -27.262 1.00 25.20 H new ATOM 596 N PHE A 37 4.767 -11.955 -20.400 1.00 64.24 N ATOM 597 CA PHE A 37 3.678 -12.710 -19.763 1.00 63.35 C ATOM 598 C PHE A 37 3.791 -14.218 -20.089 1.00 31.33 C ATOM 599 O PHE A 37 3.163 -14.717 -21.021 1.00 60.30 O ATOM 600 CB PHE A 37 2.316 -12.133 -20.204 1.00 33.42 C ATOM 601 CG PHE A 37 1.137 -12.514 -19.337 1.00 0.24 C ATOM 602 CD1 PHE A 37 1.086 -12.123 -18.005 1.00 2.13 C ATOM 603 CD2 PHE A 37 0.068 -13.231 -19.861 1.00 32.43 C ATOM 604 CE1 PHE A 37 -0.001 -12.445 -17.214 1.00 5.04 C ATOM 605 CE2 PHE A 37 -1.023 -13.549 -19.073 1.00 73.42 C ATOM 606 CZ PHE A 37 -1.057 -13.155 -17.749 1.00 73.03 C ATOM 0 H PHE A 37 5.451 -11.572 -19.747 1.00 64.24 H new ATOM 0 HA PHE A 37 3.758 -12.608 -18.681 1.00 63.35 H new ATOM 0 HB2 PHE A 37 2.392 -11.046 -20.227 1.00 33.42 H new ATOM 0 HB3 PHE A 37 2.115 -12.460 -21.224 1.00 33.42 H new ATOM 0 HD1 PHE A 37 1.905 -11.561 -17.582 1.00 2.13 H new ATOM 0 HD2 PHE A 37 0.090 -13.543 -20.895 1.00 32.43 H new ATOM 0 HE1 PHE A 37 -0.024 -12.141 -16.178 1.00 5.04 H new ATOM 0 HE2 PHE A 37 -1.848 -14.105 -19.492 1.00 73.42 H new ATOM 0 HZ PHE A 37 -1.909 -13.402 -17.133 1.00 73.03 H new ATOM 616 N VAL A 38 4.656 -14.903 -19.329 1.00 42.02 N ATOM 617 CA VAL A 38 4.903 -16.364 -19.423 1.00 22.23 C ATOM 618 C VAL A 38 5.116 -16.914 -20.859 1.00 54.53 C ATOM 619 O VAL A 38 5.044 -18.127 -21.071 1.00 61.30 O ATOM 620 CB VAL A 38 3.782 -17.181 -18.716 1.00 4.21 C ATOM 621 CG1 VAL A 38 3.516 -16.625 -17.317 1.00 51.23 C ATOM 622 CG2 VAL A 38 2.496 -17.222 -19.546 1.00 24.34 C ATOM 0 H VAL A 38 5.222 -14.452 -18.610 1.00 42.02 H new ATOM 0 HA VAL A 38 5.853 -16.497 -18.906 1.00 22.23 H new ATOM 0 HB VAL A 38 4.132 -18.209 -18.619 1.00 4.21 H new ATOM 0 HG11 VAL A 38 2.730 -17.208 -16.837 1.00 51.23 H new ATOM 0 HG12 VAL A 38 4.427 -16.686 -16.722 1.00 51.23 H new ATOM 0 HG13 VAL A 38 3.201 -15.584 -17.393 1.00 51.23 H new ATOM 0 HG21 VAL A 38 1.740 -17.802 -19.017 1.00 24.34 H new ATOM 0 HG22 VAL A 38 2.131 -16.207 -19.702 1.00 24.34 H new ATOM 0 HG23 VAL A 38 2.700 -17.687 -20.511 1.00 24.34 H new ATOM 632 N THR A 39 5.437 -16.056 -21.832 1.00 44.31 N ATOM 633 CA THR A 39 5.554 -16.500 -23.239 1.00 15.44 C ATOM 634 C THR A 39 6.928 -16.203 -23.872 1.00 73.43 C ATOM 635 O THR A 39 7.036 -15.355 -24.763 1.00 42.23 O ATOM 636 CB THR A 39 4.456 -15.854 -24.124 1.00 53.23 C ATOM 637 OG1 THR A 39 4.503 -14.424 -23.999 1.00 50.43 O ATOM 638 CG2 THR A 39 3.068 -16.355 -23.739 1.00 53.25 C ATOM 0 H THR A 39 5.619 -15.064 -21.683 1.00 44.31 H new ATOM 0 HA THR A 39 5.430 -17.582 -23.203 1.00 15.44 H new ATOM 0 HB THR A 39 4.649 -16.139 -25.158 1.00 53.23 H new ATOM 0 HG1 THR A 39 4.145 -14.160 -23.126 1.00 50.43 H new ATOM 0 HG21 THR A 39 2.321 -15.884 -24.378 1.00 53.25 H new ATOM 0 HG22 THR A 39 3.023 -17.437 -23.866 1.00 53.25 H new ATOM 0 HG23 THR A 39 2.866 -16.103 -22.698 1.00 53.25 H new ATOM 646 N GLU A 40 7.980 -16.911 -23.429 1.00 61.02 N ATOM 647 CA GLU A 40 9.315 -16.791 -24.055 1.00 54.11 C ATOM 648 C GLU A 40 10.378 -17.663 -23.347 1.00 53.34 C ATOM 649 O GLU A 40 10.389 -17.782 -22.114 1.00 2.04 O ATOM 650 CB GLU A 40 9.788 -15.321 -24.063 1.00 71.25 C ATOM 651 CG GLU A 40 10.282 -14.830 -25.420 1.00 65.23 C ATOM 652 CD GLU A 40 11.335 -15.740 -26.031 1.00 35.42 C ATOM 653 OE1 GLU A 40 12.460 -15.786 -25.505 1.00 13.45 O ATOM 654 OE2 GLU A 40 11.035 -16.421 -27.035 1.00 3.43 O ATOM 0 H GLU A 40 7.938 -17.567 -22.649 1.00 61.02 H new ATOM 0 HA GLU A 40 9.208 -17.150 -25.079 1.00 54.11 H new ATOM 0 HB2 GLU A 40 8.965 -14.685 -23.737 1.00 71.25 H new ATOM 0 HB3 GLU A 40 10.590 -15.205 -23.334 1.00 71.25 H new ATOM 0 HG2 GLU A 40 9.436 -14.752 -26.103 1.00 65.23 H new ATOM 0 HG3 GLU A 40 10.695 -13.827 -25.309 1.00 65.23 H new ATOM 661 N ARG A 41 11.294 -18.247 -24.122 1.00 72.54 N ATOM 662 CA ARG A 41 12.399 -19.009 -23.537 1.00 64.34 C ATOM 663 C ARG A 41 13.304 -18.083 -22.705 1.00 13.32 C ATOM 664 O ARG A 41 13.477 -18.294 -21.509 1.00 52.34 O ATOM 665 CB ARG A 41 13.213 -19.752 -24.618 1.00 72.23 C ATOM 666 CG ARG A 41 13.874 -18.848 -25.656 1.00 14.10 C ATOM 667 CD ARG A 41 14.854 -19.612 -26.542 1.00 40.23 C ATOM 668 NE ARG A 41 15.554 -18.722 -27.467 1.00 14.41 N ATOM 669 CZ ARG A 41 16.705 -18.993 -28.028 1.00 31.24 C ATOM 670 NH1 ARG A 41 17.300 -20.124 -27.825 1.00 32.01 N ATOM 671 NH2 ARG A 41 17.264 -18.124 -28.802 1.00 61.43 N ATOM 0 H ARG A 41 11.294 -18.209 -25.141 1.00 72.54 H new ATOM 0 HA ARG A 41 11.973 -19.765 -22.877 1.00 64.34 H new ATOM 0 HB2 ARG A 41 13.986 -20.344 -24.128 1.00 72.23 H new ATOM 0 HB3 ARG A 41 12.554 -20.451 -25.133 1.00 72.23 H new ATOM 0 HG2 ARG A 41 13.106 -18.389 -26.278 1.00 14.10 H new ATOM 0 HG3 ARG A 41 14.399 -18.039 -25.149 1.00 14.10 H new ATOM 0 HD2 ARG A 41 15.580 -20.132 -25.917 1.00 40.23 H new ATOM 0 HD3 ARG A 41 14.316 -20.374 -27.107 1.00 40.23 H new ATOM 0 HE ARG A 41 15.115 -17.829 -27.690 1.00 14.41 H new ATOM 0 HH11 ARG A 41 16.872 -20.824 -27.218 1.00 32.01 H new ATOM 0 HH12 ARG A 41 18.197 -20.316 -28.272 1.00 32.01 H new ATOM 0 HH21 ARG A 41 16.809 -17.228 -28.975 1.00 61.43 H new ATOM 0 HH22 ARG A 41 18.161 -18.334 -29.240 1.00 61.43 H new ATOM 685 N GLU A 42 13.824 -17.020 -23.332 1.00 61.33 N ATOM 686 CA GLU A 42 14.700 -16.053 -22.652 1.00 20.54 C ATOM 687 C GLU A 42 14.033 -15.515 -21.378 1.00 15.41 C ATOM 688 O GLU A 42 14.699 -15.210 -20.389 1.00 64.21 O ATOM 689 CB GLU A 42 15.028 -14.893 -23.604 1.00 1.33 C ATOM 690 CG GLU A 42 15.736 -15.329 -24.886 1.00 44.50 C ATOM 691 CD GLU A 42 15.833 -14.215 -25.919 1.00 1.35 C ATOM 692 OE1 GLU A 42 16.673 -13.304 -25.746 1.00 2.14 O ATOM 693 OE2 GLU A 42 15.079 -14.254 -26.921 1.00 10.14 O ATOM 0 H GLU A 42 13.653 -16.806 -24.314 1.00 61.33 H new ATOM 0 HA GLU A 42 15.622 -16.560 -22.367 1.00 20.54 H new ATOM 0 HB2 GLU A 42 14.104 -14.379 -23.867 1.00 1.33 H new ATOM 0 HB3 GLU A 42 15.656 -14.172 -23.080 1.00 1.33 H new ATOM 0 HG2 GLU A 42 16.739 -15.678 -24.640 1.00 44.50 H new ATOM 0 HG3 GLU A 42 15.202 -16.174 -25.320 1.00 44.50 H new ATOM 700 N TYR A 43 12.709 -15.423 -21.432 1.00 61.41 N ATOM 701 CA TYR A 43 11.872 -15.055 -20.285 1.00 22.04 C ATOM 702 C TYR A 43 12.160 -15.958 -19.071 1.00 21.54 C ATOM 703 O TYR A 43 12.468 -15.471 -17.986 1.00 3.14 O ATOM 704 CB TYR A 43 10.408 -15.175 -20.726 1.00 21.14 C ATOM 705 CG TYR A 43 9.345 -14.859 -19.694 1.00 60.43 C ATOM 706 CD1 TYR A 43 8.966 -15.797 -18.738 1.00 74.21 C ATOM 707 CD2 TYR A 43 8.676 -13.645 -19.718 1.00 21.24 C ATOM 708 CE1 TYR A 43 7.954 -15.528 -17.842 1.00 31.21 C ATOM 709 CE2 TYR A 43 7.673 -13.368 -18.818 1.00 23.44 C ATOM 710 CZ TYR A 43 7.313 -14.311 -17.885 1.00 62.21 C ATOM 711 OH TYR A 43 6.285 -14.046 -17.011 1.00 43.03 O ATOM 0 H TYR A 43 12.175 -15.603 -22.282 1.00 61.41 H new ATOM 0 HA TYR A 43 12.092 -14.034 -19.971 1.00 22.04 H new ATOM 0 HB2 TYR A 43 10.257 -14.514 -21.579 1.00 21.14 H new ATOM 0 HB3 TYR A 43 10.244 -16.193 -21.079 1.00 21.14 H new ATOM 0 HD1 TYR A 43 9.473 -16.750 -18.698 1.00 74.21 H new ATOM 0 HD2 TYR A 43 8.947 -12.904 -20.456 1.00 21.24 H new ATOM 0 HE1 TYR A 43 7.666 -16.268 -17.110 1.00 31.21 H new ATOM 0 HE2 TYR A 43 7.170 -12.413 -18.844 1.00 23.44 H new ATOM 0 HH TYR A 43 6.647 -13.915 -16.110 1.00 43.03 H new ATOM 721 N TYR A 44 12.062 -17.278 -19.262 1.00 25.44 N ATOM 722 CA TYR A 44 12.355 -18.230 -18.174 1.00 3.23 C ATOM 723 C TYR A 44 13.673 -19.001 -18.397 1.00 43.53 C ATOM 724 O TYR A 44 13.854 -20.101 -17.870 1.00 2.52 O ATOM 725 CB TYR A 44 11.181 -19.211 -17.985 1.00 53.23 C ATOM 726 CG TYR A 44 10.667 -19.857 -19.266 1.00 62.21 C ATOM 727 CD1 TYR A 44 11.434 -20.781 -19.970 1.00 72.15 C ATOM 728 CD2 TYR A 44 9.406 -19.544 -19.764 1.00 62.34 C ATOM 729 CE1 TYR A 44 10.963 -21.369 -21.129 1.00 55.23 C ATOM 730 CE2 TYR A 44 8.929 -20.129 -20.922 1.00 42.02 C ATOM 731 CZ TYR A 44 9.711 -21.039 -21.601 1.00 33.21 C ATOM 732 OH TYR A 44 9.238 -21.625 -22.755 1.00 1.32 O ATOM 0 H TYR A 44 11.787 -17.711 -20.144 1.00 25.44 H new ATOM 0 HA TYR A 44 12.482 -17.643 -17.265 1.00 3.23 H new ATOM 0 HB2 TYR A 44 11.493 -19.999 -17.299 1.00 53.23 H new ATOM 0 HB3 TYR A 44 10.357 -18.680 -17.508 1.00 53.23 H new ATOM 0 HD1 TYR A 44 12.416 -21.043 -19.604 1.00 72.15 H new ATOM 0 HD2 TYR A 44 8.789 -18.832 -19.237 1.00 62.34 H new ATOM 0 HE1 TYR A 44 11.573 -22.083 -21.662 1.00 55.23 H new ATOM 0 HE2 TYR A 44 7.947 -19.874 -21.293 1.00 42.02 H new ATOM 0 HH TYR A 44 8.340 -21.285 -22.950 1.00 1.32 H new ATOM 742 N GLU A 45 14.600 -18.423 -19.163 1.00 2.21 N ATOM 743 CA GLU A 45 15.887 -19.087 -19.436 1.00 61.54 C ATOM 744 C GLU A 45 17.100 -18.147 -19.290 1.00 51.11 C ATOM 745 O GLU A 45 18.172 -18.587 -18.878 1.00 4.51 O ATOM 746 CB GLU A 45 15.875 -19.692 -20.846 1.00 60.41 C ATOM 747 CG GLU A 45 17.110 -20.516 -21.187 1.00 41.35 C ATOM 748 CD GLU A 45 17.084 -21.048 -22.609 1.00 22.52 C ATOM 749 OE1 GLU A 45 16.298 -21.977 -22.887 1.00 2.34 O ATOM 750 OE2 GLU A 45 17.857 -20.546 -23.452 1.00 52.54 O ATOM 0 H GLU A 45 14.492 -17.509 -19.603 1.00 2.21 H new ATOM 0 HA GLU A 45 15.998 -19.869 -18.685 1.00 61.54 H new ATOM 0 HB2 GLU A 45 14.992 -20.323 -20.950 1.00 60.41 H new ATOM 0 HB3 GLU A 45 15.779 -18.886 -21.573 1.00 60.41 H new ATOM 0 HG2 GLU A 45 18.001 -19.903 -21.049 1.00 41.35 H new ATOM 0 HG3 GLU A 45 17.188 -21.352 -20.492 1.00 41.35 H new ATOM 757 N ASP A 46 16.945 -16.864 -19.635 1.00 51.10 N ATOM 758 CA ASP A 46 18.090 -15.936 -19.644 1.00 32.13 C ATOM 759 C ASP A 46 17.899 -14.746 -18.682 1.00 32.33 C ATOM 760 O ASP A 46 18.775 -14.461 -17.859 1.00 13.44 O ATOM 761 CB ASP A 46 18.350 -15.430 -21.069 1.00 72.33 C ATOM 762 CG ASP A 46 19.679 -14.697 -21.190 1.00 70.43 C ATOM 763 OD1 ASP A 46 20.712 -15.366 -21.384 1.00 42.01 O ATOM 764 OD2 ASP A 46 19.699 -13.450 -21.085 1.00 12.13 O ATOM 0 H ASP A 46 16.055 -16.446 -19.908 1.00 51.10 H new ATOM 0 HA ASP A 46 18.956 -16.495 -19.290 1.00 32.13 H new ATOM 0 HB2 ASP A 46 18.339 -16.274 -21.759 1.00 72.33 H new ATOM 0 HB3 ASP A 46 17.541 -14.763 -21.368 1.00 72.33 H new ATOM 769 N PHE A 47 16.769 -14.037 -18.788 1.00 61.52 N ATOM 770 CA PHE A 47 16.527 -12.865 -17.933 1.00 32.54 C ATOM 771 C PHE A 47 15.054 -12.718 -17.504 1.00 23.12 C ATOM 772 O PHE A 47 14.170 -12.398 -18.301 1.00 4.43 O ATOM 773 CB PHE A 47 17.047 -11.572 -18.596 1.00 11.35 C ATOM 774 CG PHE A 47 16.532 -11.291 -19.992 1.00 62.11 C ATOM 775 CD1 PHE A 47 16.808 -12.154 -21.041 1.00 0.22 C ATOM 776 CD2 PHE A 47 15.796 -10.145 -20.259 1.00 35.23 C ATOM 777 CE1 PHE A 47 16.360 -11.884 -22.320 1.00 31.33 C ATOM 778 CE2 PHE A 47 15.345 -9.875 -21.535 1.00 24.35 C ATOM 779 CZ PHE A 47 15.627 -10.746 -22.567 1.00 61.04 C ATOM 0 H PHE A 47 16.018 -14.248 -19.445 1.00 61.52 H new ATOM 0 HA PHE A 47 17.094 -13.035 -17.018 1.00 32.54 H new ATOM 0 HB2 PHE A 47 16.786 -10.729 -17.957 1.00 11.35 H new ATOM 0 HB3 PHE A 47 18.135 -11.618 -18.634 1.00 11.35 H new ATOM 0 HD1 PHE A 47 17.381 -13.050 -20.856 1.00 0.22 H new ATOM 0 HD2 PHE A 47 15.573 -9.456 -19.458 1.00 35.23 H new ATOM 0 HE1 PHE A 47 16.585 -12.566 -23.126 1.00 31.33 H new ATOM 0 HE2 PHE A 47 14.771 -8.981 -21.726 1.00 24.35 H new ATOM 0 HZ PHE A 47 15.274 -10.535 -23.566 1.00 61.04 H new ATOM 789 N GLY A 48 14.836 -12.970 -16.218 1.00 40.42 N ATOM 790 CA GLY A 48 13.540 -12.795 -15.568 1.00 40.21 C ATOM 791 C GLY A 48 13.713 -12.903 -14.055 1.00 65.44 C ATOM 792 O GLY A 48 14.818 -12.668 -13.563 1.00 72.13 O ATOM 0 H GLY A 48 15.564 -13.306 -15.588 1.00 40.42 H new ATOM 0 HA2 GLY A 48 13.118 -11.824 -15.829 1.00 40.21 H new ATOM 0 HA3 GLY A 48 12.839 -13.552 -15.920 1.00 40.21 H new ATOM 1115 N PRO A 71 -1.253 -18.112 -5.204 1.00 75.42 N ATOM 1116 CA PRO A 71 -2.535 -18.100 -5.934 1.00 24.03 C ATOM 1117 C PRO A 71 -3.750 -18.155 -4.988 1.00 72.30 C ATOM 1118 O PRO A 71 -4.420 -19.180 -4.868 1.00 31.54 O ATOM 1119 CB PRO A 71 -2.468 -19.361 -6.822 1.00 4.13 C ATOM 1120 CG PRO A 71 -1.026 -19.759 -6.830 1.00 42.41 C ATOM 1121 CD PRO A 71 -0.477 -19.331 -5.496 1.00 0.40 C ATOM 0 HA PRO A 71 -2.667 -17.180 -6.504 1.00 24.03 H new ATOM 0 HB2 PRO A 71 -3.094 -20.158 -6.422 1.00 4.13 H new ATOM 0 HB3 PRO A 71 -2.824 -19.152 -7.831 1.00 4.13 H new ATOM 0 HG2 PRO A 71 -0.918 -20.834 -6.971 1.00 42.41 H new ATOM 0 HG3 PRO A 71 -0.491 -19.275 -7.647 1.00 42.41 H new ATOM 0 HD2 PRO A 71 -0.622 -20.096 -4.734 1.00 0.40 H new ATOM 0 HD3 PRO A 71 0.593 -19.128 -5.544 1.00 0.40 H new ATOM 1129 N LYS A 72 -3.993 -17.050 -4.284 1.00 51.42 N ATOM 1130 CA LYS A 72 -5.132 -16.936 -3.366 1.00 4.40 C ATOM 1131 C LYS A 72 -6.225 -16.034 -3.966 1.00 71.31 C ATOM 1132 O LYS A 72 -7.391 -16.422 -4.054 1.00 11.15 O ATOM 1133 CB LYS A 72 -4.649 -16.389 -2.012 1.00 1.11 C ATOM 1134 CG LYS A 72 -3.602 -17.281 -1.341 1.00 32.24 C ATOM 1135 CD LYS A 72 -2.972 -16.631 -0.109 1.00 44.22 C ATOM 1136 CE LYS A 72 -3.973 -16.419 1.021 1.00 41.21 C ATOM 1137 NZ LYS A 72 -3.315 -15.861 2.233 1.00 53.24 N ATOM 0 H LYS A 72 -3.412 -16.213 -4.331 1.00 51.42 H new ATOM 0 HA LYS A 72 -5.566 -17.924 -3.211 1.00 4.40 H new ATOM 0 HB2 LYS A 72 -4.229 -15.394 -2.158 1.00 1.11 H new ATOM 0 HB3 LYS A 72 -5.505 -16.279 -1.346 1.00 1.11 H new ATOM 0 HG2 LYS A 72 -4.066 -18.224 -1.051 1.00 32.24 H new ATOM 0 HG3 LYS A 72 -2.819 -17.519 -2.061 1.00 32.24 H new ATOM 0 HD2 LYS A 72 -2.154 -17.256 0.248 1.00 44.22 H new ATOM 0 HD3 LYS A 72 -2.540 -15.671 -0.391 1.00 44.22 H new ATOM 0 HE2 LYS A 72 -4.761 -15.743 0.689 1.00 41.21 H new ATOM 0 HE3 LYS A 72 -4.450 -17.367 1.269 1.00 41.21 H new ATOM 0 HZ1 LYS A 72 -4.023 -15.729 2.983 1.00 53.24 H new ATOM 0 HZ2 LYS A 72 -2.580 -16.519 2.563 1.00 53.24 H new ATOM 0 HZ3 LYS A 72 -2.881 -14.945 2.002 1.00 53.24 H new ATOM 1151 N LEU A 73 -5.834 -14.822 -4.377 1.00 10.40 N ATOM 1152 CA LEU A 73 -6.752 -13.893 -5.057 1.00 30.00 C ATOM 1153 C LEU A 73 -6.632 -14.014 -6.589 1.00 64.53 C ATOM 1154 O LEU A 73 -7.381 -13.383 -7.331 1.00 54.14 O ATOM 1155 CB LEU A 73 -6.474 -12.438 -4.629 1.00 22.12 C ATOM 1156 CG LEU A 73 -6.790 -12.086 -3.159 1.00 42.34 C ATOM 1157 CD1 LEU A 73 -5.835 -12.790 -2.196 1.00 21.14 C ATOM 1158 CD2 LEU A 73 -6.743 -10.573 -2.950 1.00 60.13 C ATOM 0 H LEU A 73 -4.889 -14.459 -4.252 1.00 10.40 H new ATOM 0 HA LEU A 73 -7.767 -14.163 -4.764 1.00 30.00 H new ATOM 0 HB2 LEU A 73 -5.422 -12.222 -4.814 1.00 22.12 H new ATOM 0 HB3 LEU A 73 -7.053 -11.775 -5.272 1.00 22.12 H new ATOM 0 HG LEU A 73 -7.798 -12.439 -2.942 1.00 42.34 H new ATOM 0 HD11 LEU A 73 -6.087 -12.519 -1.171 1.00 21.14 H new ATOM 0 HD12 LEU A 73 -5.925 -13.869 -2.319 1.00 21.14 H new ATOM 0 HD13 LEU A 73 -4.811 -12.484 -2.411 1.00 21.14 H new ATOM 0 HD21 LEU A 73 -6.968 -10.342 -1.909 1.00 60.13 H new ATOM 0 HD22 LEU A 73 -5.748 -10.202 -3.197 1.00 60.13 H new ATOM 0 HD23 LEU A 73 -7.479 -10.094 -3.595 1.00 60.13 H new ATOM 1170 N LEU A 74 -5.685 -14.830 -7.048 1.00 24.05 N ATOM 1171 CA LEU A 74 -5.436 -15.014 -8.485 1.00 40.01 C ATOM 1172 C LEU A 74 -6.426 -16.017 -9.108 1.00 0.53 C ATOM 1173 O LEU A 74 -6.529 -17.155 -8.646 1.00 42.12 O ATOM 1174 CB LEU A 74 -3.993 -15.513 -8.696 1.00 65.32 C ATOM 1175 CG LEU A 74 -3.580 -15.788 -10.156 1.00 42.42 C ATOM 1176 CD1 LEU A 74 -3.591 -14.505 -10.985 1.00 24.14 C ATOM 1177 CD2 LEU A 74 -2.205 -16.453 -10.211 1.00 4.53 C ATOM 0 H LEU A 74 -5.072 -15.379 -6.445 1.00 24.05 H new ATOM 0 HA LEU A 74 -5.577 -14.053 -8.979 1.00 40.01 H new ATOM 0 HB2 LEU A 74 -3.309 -14.774 -8.279 1.00 65.32 H new ATOM 0 HB3 LEU A 74 -3.859 -16.430 -8.122 1.00 65.32 H new ATOM 0 HG LEU A 74 -4.312 -16.471 -10.587 1.00 42.42 H new ATOM 0 HD11 LEU A 74 -3.295 -14.731 -12.009 1.00 24.14 H new ATOM 0 HD12 LEU A 74 -4.594 -14.079 -10.982 1.00 24.14 H new ATOM 0 HD13 LEU A 74 -2.891 -13.788 -10.555 1.00 24.14 H new ATOM 0 HD21 LEU A 74 -1.932 -16.639 -11.250 1.00 4.53 H new ATOM 0 HD22 LEU A 74 -1.465 -15.797 -9.753 1.00 4.53 H new ATOM 0 HD23 LEU A 74 -2.236 -17.398 -9.670 1.00 4.53 H new ATOM 1189 N PRO A 75 -7.176 -15.606 -10.157 1.00 32.23 N ATOM 1190 CA PRO A 75 -8.045 -16.527 -10.914 1.00 32.21 C ATOM 1191 C PRO A 75 -7.269 -17.737 -11.462 1.00 35.10 C ATOM 1192 O PRO A 75 -6.125 -17.608 -11.907 1.00 34.12 O ATOM 1193 CB PRO A 75 -8.583 -15.653 -12.058 1.00 31.31 C ATOM 1194 CG PRO A 75 -8.487 -14.257 -11.542 1.00 72.44 C ATOM 1195 CD PRO A 75 -7.258 -14.226 -10.673 1.00 32.20 C ATOM 0 HA PRO A 75 -8.831 -16.957 -10.293 1.00 32.21 H new ATOM 0 HB2 PRO A 75 -7.994 -15.781 -12.966 1.00 31.31 H new ATOM 0 HB3 PRO A 75 -9.612 -15.914 -12.306 1.00 31.31 H new ATOM 0 HG2 PRO A 75 -8.405 -13.542 -12.361 1.00 72.44 H new ATOM 0 HG3 PRO A 75 -9.376 -13.989 -10.972 1.00 72.44 H new ATOM 0 HD2 PRO A 75 -6.369 -13.955 -11.242 1.00 32.20 H new ATOM 0 HD3 PRO A 75 -7.353 -13.499 -9.866 1.00 32.20 H new ATOM 1203 N TYR A 76 -7.890 -18.913 -11.435 1.00 63.34 N ATOM 1204 CA TYR A 76 -7.190 -20.146 -11.792 1.00 20.30 C ATOM 1205 C TYR A 76 -6.873 -20.248 -13.295 1.00 42.33 C ATOM 1206 O TYR A 76 -7.715 -20.639 -14.111 1.00 33.33 O ATOM 1207 CB TYR A 76 -7.992 -21.372 -11.333 1.00 61.21 C ATOM 1208 CG TYR A 76 -8.078 -21.515 -9.823 1.00 72.41 C ATOM 1209 CD1 TYR A 76 -6.969 -21.910 -9.079 1.00 0.44 C ATOM 1210 CD2 TYR A 76 -9.262 -21.249 -9.141 1.00 41.10 C ATOM 1211 CE1 TYR A 76 -7.040 -22.038 -7.703 1.00 53.12 C ATOM 1212 CE2 TYR A 76 -9.338 -21.374 -7.767 1.00 61.31 C ATOM 1213 CZ TYR A 76 -8.226 -21.768 -7.053 1.00 61.13 C ATOM 1214 OH TYR A 76 -8.301 -21.894 -5.682 1.00 21.53 O ATOM 0 H TYR A 76 -8.867 -19.039 -11.172 1.00 63.34 H new ATOM 0 HA TYR A 76 -6.233 -20.120 -11.271 1.00 20.30 H new ATOM 0 HB2 TYR A 76 -9.001 -21.309 -11.741 1.00 61.21 H new ATOM 0 HB3 TYR A 76 -7.536 -22.270 -11.749 1.00 61.21 H new ATOM 0 HD1 TYR A 76 -6.038 -22.120 -9.584 1.00 0.44 H new ATOM 0 HD2 TYR A 76 -10.136 -20.940 -9.695 1.00 41.10 H new ATOM 0 HE1 TYR A 76 -6.171 -22.348 -7.141 1.00 53.12 H new ATOM 0 HE2 TYR A 76 -10.265 -21.164 -7.254 1.00 61.31 H new ATOM 0 HH TYR A 76 -9.205 -21.666 -5.382 1.00 21.53 H new ATOM 1224 N ASP A 77 -5.648 -19.863 -13.640 1.00 21.11 N ATOM 1225 CA ASP A 77 -5.034 -20.191 -14.930 1.00 52.41 C ATOM 1226 C ASP A 77 -3.766 -21.023 -14.681 1.00 70.43 C ATOM 1227 O ASP A 77 -2.760 -20.501 -14.201 1.00 73.11 O ATOM 1228 CB ASP A 77 -4.689 -18.919 -15.718 1.00 64.54 C ATOM 1229 CG ASP A 77 -5.920 -18.191 -16.232 1.00 1.44 C ATOM 1230 OD1 ASP A 77 -6.553 -18.687 -17.189 1.00 61.04 O ATOM 1231 OD2 ASP A 77 -6.263 -17.121 -15.692 1.00 44.44 O ATOM 0 H ASP A 77 -5.046 -19.310 -13.030 1.00 21.11 H new ATOM 0 HA ASP A 77 -5.744 -20.766 -15.525 1.00 52.41 H new ATOM 0 HB2 ASP A 77 -4.115 -18.247 -15.080 1.00 64.54 H new ATOM 0 HB3 ASP A 77 -4.050 -19.182 -16.561 1.00 64.54 H new ATOM 1236 N LYS A 78 -3.821 -22.313 -15.001 1.00 15.14 N ATOM 1237 CA LYS A 78 -2.761 -23.262 -14.624 1.00 0.13 C ATOM 1238 C LYS A 78 -1.383 -22.884 -15.197 1.00 1.44 C ATOM 1239 O LYS A 78 -0.382 -22.911 -14.480 1.00 44.23 O ATOM 1240 CB LYS A 78 -3.165 -24.678 -15.051 1.00 41.00 C ATOM 1241 CG LYS A 78 -4.427 -25.161 -14.345 1.00 34.24 C ATOM 1242 CD LYS A 78 -4.911 -26.512 -14.861 1.00 73.24 C ATOM 1243 CE LYS A 78 -6.155 -26.966 -14.107 1.00 42.22 C ATOM 1244 NZ LYS A 78 -6.731 -28.218 -14.659 1.00 21.14 N ATOM 0 H LYS A 78 -4.590 -22.733 -15.523 1.00 15.14 H new ATOM 0 HA LYS A 78 -2.655 -23.222 -13.540 1.00 0.13 H new ATOM 0 HB2 LYS A 78 -3.325 -24.698 -16.129 1.00 41.00 H new ATOM 0 HB3 LYS A 78 -2.347 -25.366 -14.838 1.00 41.00 H new ATOM 0 HG2 LYS A 78 -4.234 -25.234 -13.275 1.00 34.24 H new ATOM 0 HG3 LYS A 78 -5.217 -24.422 -14.477 1.00 34.24 H new ATOM 0 HD2 LYS A 78 -5.132 -26.442 -15.926 1.00 73.24 H new ATOM 0 HD3 LYS A 78 -4.121 -27.254 -14.747 1.00 73.24 H new ATOM 0 HE2 LYS A 78 -5.904 -27.118 -13.057 1.00 42.22 H new ATOM 0 HE3 LYS A 78 -6.906 -26.177 -14.144 1.00 42.22 H new ATOM 0 HZ1 LYS A 78 -7.574 -28.483 -14.111 1.00 21.14 H new ATOM 0 HZ2 LYS A 78 -6.997 -28.069 -15.653 1.00 21.14 H new ATOM 0 HZ3 LYS A 78 -6.026 -28.980 -14.600 1.00 21.14 H new ATOM 1258 N ARG A 79 -1.330 -22.523 -16.475 1.00 43.05 N ATOM 1259 CA ARG A 79 -0.069 -22.110 -17.105 1.00 61.40 C ATOM 1260 C ARG A 79 0.531 -20.879 -16.401 1.00 65.45 C ATOM 1261 O ARG A 79 1.743 -20.810 -16.151 1.00 74.32 O ATOM 1262 CB ARG A 79 -0.296 -21.811 -18.595 1.00 15.02 C ATOM 1263 CG ARG A 79 -0.782 -23.017 -19.397 1.00 31.21 C ATOM 1264 CD ARG A 79 0.240 -24.151 -19.395 1.00 12.24 C ATOM 1265 NE ARG A 79 -0.235 -25.321 -20.130 1.00 63.33 N ATOM 1266 CZ ARG A 79 0.492 -26.380 -20.372 1.00 34.55 C ATOM 1267 NH1 ARG A 79 1.724 -26.442 -19.979 1.00 15.11 N ATOM 1268 NH2 ARG A 79 -0.013 -27.377 -21.016 1.00 61.22 N ATOM 0 H ARG A 79 -2.138 -22.506 -17.097 1.00 43.05 H new ATOM 0 HA ARG A 79 0.641 -22.931 -17.009 1.00 61.40 H new ATOM 0 HB2 ARG A 79 -1.025 -21.006 -18.688 1.00 15.02 H new ATOM 0 HB3 ARG A 79 0.636 -21.448 -19.030 1.00 15.02 H new ATOM 0 HG2 ARG A 79 -1.723 -23.375 -18.979 1.00 31.21 H new ATOM 0 HG3 ARG A 79 -0.984 -22.712 -20.424 1.00 31.21 H new ATOM 0 HD2 ARG A 79 1.172 -23.799 -19.838 1.00 12.24 H new ATOM 0 HD3 ARG A 79 0.463 -24.435 -18.367 1.00 12.24 H new ATOM 0 HE ARG A 79 -1.194 -25.311 -20.476 1.00 63.33 H new ATOM 0 HH11 ARG A 79 2.138 -25.659 -19.474 1.00 15.11 H new ATOM 0 HH12 ARG A 79 2.280 -27.274 -20.174 1.00 15.11 H new ATOM 0 HH21 ARG A 79 -0.980 -27.339 -21.337 1.00 61.22 H new ATOM 0 HH22 ARG A 79 0.555 -28.203 -21.204 1.00 61.22 H new ATOM 1282 N LEU A 80 -0.325 -19.916 -16.074 1.00 42.51 N ATOM 1283 CA LEU A 80 0.101 -18.690 -15.391 1.00 44.10 C ATOM 1284 C LEU A 80 0.545 -18.980 -13.951 1.00 1.41 C ATOM 1285 O LEU A 80 1.657 -18.627 -13.555 1.00 53.51 O ATOM 1286 CB LEU A 80 -1.029 -17.645 -15.401 1.00 75.11 C ATOM 1287 CG LEU A 80 -1.297 -16.972 -16.761 1.00 14.13 C ATOM 1288 CD1 LEU A 80 -0.024 -16.318 -17.284 1.00 12.21 C ATOM 1289 CD2 LEU A 80 -1.854 -17.966 -17.782 1.00 63.14 C ATOM 0 H LEU A 80 -1.325 -19.958 -16.271 1.00 42.51 H new ATOM 0 HA LEU A 80 0.956 -18.287 -15.933 1.00 44.10 H new ATOM 0 HB2 LEU A 80 -1.948 -18.126 -15.066 1.00 75.11 H new ATOM 0 HB3 LEU A 80 -0.790 -16.870 -14.672 1.00 75.11 H new ATOM 0 HG LEU A 80 -2.053 -16.202 -16.611 1.00 14.13 H new ATOM 0 HD11 LEU A 80 -0.226 -15.846 -18.245 1.00 12.21 H new ATOM 0 HD12 LEU A 80 0.316 -15.564 -16.574 1.00 12.21 H new ATOM 0 HD13 LEU A 80 0.750 -17.076 -17.407 1.00 12.21 H new ATOM 0 HD21 LEU A 80 -2.030 -17.455 -18.728 1.00 63.14 H new ATOM 0 HD22 LEU A 80 -1.137 -18.773 -17.933 1.00 63.14 H new ATOM 0 HD23 LEU A 80 -2.792 -18.380 -17.413 1.00 63.14 H new ATOM 1301 N ALA A 81 -0.326 -19.633 -13.184 1.00 32.32 N ATOM 1302 CA ALA A 81 -0.026 -20.002 -11.796 1.00 43.40 C ATOM 1303 C ALA A 81 1.272 -20.816 -11.698 1.00 52.42 C ATOM 1304 O ALA A 81 2.083 -20.600 -10.797 1.00 4.43 O ATOM 1305 CB ALA A 81 -1.191 -20.785 -11.200 1.00 41.25 C ATOM 0 H ALA A 81 -1.252 -19.920 -13.500 1.00 32.32 H new ATOM 0 HA ALA A 81 0.117 -19.084 -11.226 1.00 43.40 H new ATOM 0 HB1 ALA A 81 -0.959 -21.054 -10.170 1.00 41.25 H new ATOM 0 HB2 ALA A 81 -2.091 -20.170 -11.221 1.00 41.25 H new ATOM 0 HB3 ALA A 81 -1.357 -21.691 -11.783 1.00 41.25 H new ATOM 1311 N TRP A 82 1.469 -21.740 -12.642 1.00 52.35 N ATOM 1312 CA TRP A 82 2.691 -22.553 -12.687 1.00 45.32 C ATOM 1313 C TRP A 82 3.948 -21.676 -12.820 1.00 60.50 C ATOM 1314 O TRP A 82 4.905 -21.830 -12.062 1.00 64.25 O ATOM 1315 CB TRP A 82 2.630 -23.551 -13.852 1.00 42.24 C ATOM 1316 CG TRP A 82 3.852 -24.417 -13.959 1.00 5.33 C ATOM 1317 CD1 TRP A 82 4.929 -24.219 -14.773 1.00 74.34 C ATOM 1318 CD2 TRP A 82 4.122 -25.614 -13.219 1.00 54.30 C ATOM 1319 NE1 TRP A 82 5.854 -25.216 -14.583 1.00 11.33 N ATOM 1320 CE2 TRP A 82 5.381 -26.087 -13.635 1.00 12.03 C ATOM 1321 CE3 TRP A 82 3.420 -26.332 -12.245 1.00 2.42 C ATOM 1322 CZ2 TRP A 82 5.954 -27.242 -13.108 1.00 53.21 C ATOM 1323 CZ3 TRP A 82 3.988 -27.479 -11.724 1.00 34.04 C ATOM 1324 CH2 TRP A 82 5.245 -27.924 -12.157 1.00 41.34 C ATOM 0 H TRP A 82 0.801 -21.945 -13.385 1.00 52.35 H new ATOM 0 HA TRP A 82 2.754 -23.100 -11.746 1.00 45.32 H new ATOM 0 HB2 TRP A 82 1.753 -24.186 -13.731 1.00 42.24 H new ATOM 0 HB3 TRP A 82 2.500 -23.002 -14.785 1.00 42.24 H new ATOM 0 HD1 TRP A 82 5.038 -23.398 -15.466 1.00 74.34 H new ATOM 0 HE1 TRP A 82 6.748 -25.296 -15.068 1.00 11.33 H new ATOM 0 HE3 TRP A 82 2.451 -25.996 -11.906 1.00 2.42 H new ATOM 0 HZ2 TRP A 82 6.923 -27.587 -13.438 1.00 53.21 H new ATOM 0 HZ3 TRP A 82 3.455 -28.041 -10.971 1.00 34.04 H new ATOM 0 HH2 TRP A 82 5.663 -28.824 -11.731 1.00 41.34 H new ATOM 1335 N HIS A 83 3.944 -20.753 -13.785 1.00 62.13 N ATOM 1336 CA HIS A 83 5.101 -19.871 -13.993 1.00 53.41 C ATOM 1337 C HIS A 83 5.318 -18.928 -12.803 1.00 42.51 C ATOM 1338 O HIS A 83 6.430 -18.807 -12.299 1.00 25.44 O ATOM 1339 CB HIS A 83 4.954 -19.067 -15.288 1.00 73.12 C ATOM 1340 CG HIS A 83 5.203 -19.876 -16.526 1.00 51.33 C ATOM 1341 ND1 HIS A 83 4.191 -20.427 -17.284 1.00 13.34 N ATOM 1342 CD2 HIS A 83 6.358 -20.214 -17.149 1.00 14.32 C ATOM 1343 CE1 HIS A 83 4.710 -21.065 -18.312 1.00 5.50 C ATOM 1344 NE2 HIS A 83 6.019 -20.952 -18.258 1.00 62.33 N ATOM 0 H HIS A 83 3.167 -20.596 -14.427 1.00 62.13 H new ATOM 0 HA HIS A 83 5.980 -20.510 -14.078 1.00 53.41 H new ATOM 0 HB2 HIS A 83 3.949 -18.647 -15.334 1.00 73.12 H new ATOM 0 HB3 HIS A 83 5.649 -18.228 -15.266 1.00 73.12 H new ATOM 0 HD1 HIS A 83 3.195 -20.352 -17.080 1.00 13.34 H new ATOM 0 HD2 HIS A 83 7.357 -19.953 -16.833 1.00 14.32 H new ATOM 0 HE1 HIS A 83 4.154 -21.593 -19.072 1.00 5.50 H new ATOM 1353 N PHE A 84 4.260 -18.271 -12.339 1.00 30.02 N ATOM 1354 CA PHE A 84 4.376 -17.387 -11.172 1.00 23.30 C ATOM 1355 C PHE A 84 4.890 -18.174 -9.950 1.00 53.23 C ATOM 1356 O PHE A 84 5.603 -17.636 -9.101 1.00 61.54 O ATOM 1357 CB PHE A 84 3.032 -16.715 -10.854 1.00 71.03 C ATOM 1358 CG PHE A 84 2.455 -15.897 -11.994 1.00 22.12 C ATOM 1359 CD1 PHE A 84 3.278 -15.253 -12.920 1.00 24.35 C ATOM 1360 CD2 PHE A 84 1.079 -15.767 -12.134 1.00 61.53 C ATOM 1361 CE1 PHE A 84 2.735 -14.505 -13.949 1.00 22.41 C ATOM 1362 CE2 PHE A 84 0.538 -15.020 -13.162 1.00 12.41 C ATOM 1363 CZ PHE A 84 1.365 -14.390 -14.070 1.00 62.02 C ATOM 0 H PHE A 84 3.324 -18.328 -12.741 1.00 30.02 H new ATOM 0 HA PHE A 84 5.096 -16.604 -11.410 1.00 23.30 H new ATOM 0 HB2 PHE A 84 2.312 -17.484 -10.574 1.00 71.03 H new ATOM 0 HB3 PHE A 84 3.160 -16.067 -9.987 1.00 71.03 H new ATOM 0 HD1 PHE A 84 4.351 -15.340 -12.832 1.00 24.35 H new ATOM 0 HD2 PHE A 84 0.423 -16.257 -11.429 1.00 61.53 H new ATOM 0 HE1 PHE A 84 3.383 -14.011 -14.658 1.00 22.41 H new ATOM 0 HE2 PHE A 84 -0.534 -14.929 -13.256 1.00 12.41 H new ATOM 0 HZ PHE A 84 0.940 -13.808 -14.874 1.00 62.02 H new ATOM 1373 N LYS A 85 4.522 -19.455 -9.876 1.00 35.31 N ATOM 1374 CA LYS A 85 5.082 -20.374 -8.878 1.00 1.24 C ATOM 1375 C LYS A 85 6.584 -20.589 -9.128 1.00 3.25 C ATOM 1376 O LYS A 85 7.398 -20.530 -8.205 1.00 55.20 O ATOM 1377 CB LYS A 85 4.366 -21.731 -8.947 1.00 23.14 C ATOM 1378 CG LYS A 85 4.850 -22.752 -7.911 1.00 40.24 C ATOM 1379 CD LYS A 85 4.796 -24.183 -8.446 1.00 31.11 C ATOM 1380 CE LYS A 85 3.405 -24.571 -8.937 1.00 22.43 C ATOM 1381 NZ LYS A 85 2.413 -24.643 -7.832 1.00 42.04 N ATOM 0 H LYS A 85 3.836 -19.883 -10.498 1.00 35.31 H new ATOM 0 HA LYS A 85 4.939 -19.933 -7.892 1.00 1.24 H new ATOM 0 HB2 LYS A 85 3.296 -21.572 -8.811 1.00 23.14 H new ATOM 0 HB3 LYS A 85 4.502 -22.150 -9.944 1.00 23.14 H new ATOM 0 HG2 LYS A 85 5.872 -22.513 -7.618 1.00 40.24 H new ATOM 0 HG3 LYS A 85 4.235 -22.677 -7.014 1.00 40.24 H new ATOM 0 HD2 LYS A 85 5.509 -24.289 -9.264 1.00 31.11 H new ATOM 0 HD3 LYS A 85 5.106 -24.873 -7.661 1.00 31.11 H new ATOM 0 HE2 LYS A 85 3.068 -23.845 -9.677 1.00 22.43 H new ATOM 0 HE3 LYS A 85 3.456 -25.537 -9.439 1.00 22.43 H new ATOM 0 HZ1 LYS A 85 1.484 -24.910 -8.216 1.00 42.04 H new ATOM 0 HZ2 LYS A 85 2.718 -25.355 -7.138 1.00 42.04 H new ATOM 0 HZ3 LYS A 85 2.342 -23.715 -7.368 1.00 42.04 H new ATOM 1395 N GLU A 86 6.928 -20.844 -10.390 1.00 52.22 N ATOM 1396 CA GLU A 86 8.313 -21.086 -10.810 1.00 3.21 C ATOM 1397 C GLU A 86 9.253 -19.936 -10.397 1.00 41.12 C ATOM 1398 O GLU A 86 10.280 -20.165 -9.755 1.00 63.32 O ATOM 1399 CB GLU A 86 8.355 -21.306 -12.336 1.00 44.43 C ATOM 1400 CG GLU A 86 9.760 -21.435 -12.923 1.00 15.12 C ATOM 1401 CD GLU A 86 9.766 -21.763 -14.415 1.00 44.44 C ATOM 1402 OE1 GLU A 86 8.816 -21.366 -15.128 1.00 2.43 O ATOM 1403 OE2 GLU A 86 10.728 -22.421 -14.876 1.00 42.21 O ATOM 0 H GLU A 86 6.254 -20.889 -11.154 1.00 52.22 H new ATOM 0 HA GLU A 86 8.671 -21.982 -10.302 1.00 3.21 H new ATOM 0 HB2 GLU A 86 7.792 -22.208 -12.575 1.00 44.43 H new ATOM 0 HB3 GLU A 86 7.847 -20.474 -12.824 1.00 44.43 H new ATOM 0 HG2 GLU A 86 10.300 -20.502 -12.761 1.00 15.12 H new ATOM 0 HG3 GLU A 86 10.300 -22.214 -12.385 1.00 15.12 H new ATOM 1410 N PHE A 87 8.888 -18.707 -10.753 1.00 24.24 N ATOM 1411 CA PHE A 87 9.718 -17.530 -10.456 1.00 2.44 C ATOM 1412 C PHE A 87 9.636 -17.124 -8.972 1.00 3.22 C ATOM 1413 O PHE A 87 10.661 -16.947 -8.309 1.00 43.31 O ATOM 1414 CB PHE A 87 9.305 -16.341 -11.349 1.00 30.44 C ATOM 1415 CG PHE A 87 9.509 -16.593 -12.831 1.00 23.22 C ATOM 1416 CD1 PHE A 87 8.856 -17.634 -13.475 1.00 22.13 C ATOM 1417 CD2 PHE A 87 10.352 -15.787 -13.578 1.00 11.00 C ATOM 1418 CE1 PHE A 87 9.043 -17.867 -14.823 1.00 35.44 C ATOM 1419 CE2 PHE A 87 10.543 -16.015 -14.927 1.00 31.13 C ATOM 1420 CZ PHE A 87 9.888 -17.056 -15.549 1.00 22.33 C ATOM 0 H PHE A 87 8.022 -18.494 -11.249 1.00 24.24 H new ATOM 0 HA PHE A 87 10.752 -17.803 -10.669 1.00 2.44 H new ATOM 0 HB2 PHE A 87 8.255 -16.111 -11.170 1.00 30.44 H new ATOM 0 HB3 PHE A 87 9.879 -15.462 -11.056 1.00 30.44 H new ATOM 0 HD1 PHE A 87 8.191 -18.272 -12.913 1.00 22.13 H new ATOM 0 HD2 PHE A 87 10.868 -14.968 -13.099 1.00 11.00 H new ATOM 0 HE1 PHE A 87 8.528 -18.683 -15.307 1.00 35.44 H new ATOM 0 HE2 PHE A 87 11.205 -15.378 -15.494 1.00 31.13 H new ATOM 0 HZ PHE A 87 10.037 -17.236 -16.603 1.00 22.33 H new ATOM 1430 N CYS A 88 8.416 -16.978 -8.452 1.00 1.11 N ATOM 1431 CA CYS A 88 8.210 -16.465 -7.086 1.00 21.35 C ATOM 1432 C CYS A 88 8.237 -17.567 -6.017 1.00 34.01 C ATOM 1433 O CYS A 88 9.010 -17.492 -5.060 1.00 15.52 O ATOM 1434 CB CYS A 88 6.889 -15.693 -6.999 1.00 51.21 C ATOM 1435 SG CYS A 88 6.835 -14.194 -8.010 1.00 1.31 S ATOM 0 H CYS A 88 7.555 -17.205 -8.950 1.00 1.11 H new ATOM 0 HA CYS A 88 9.047 -15.798 -6.879 1.00 21.35 H new ATOM 0 HB2 CYS A 88 6.076 -16.352 -7.303 1.00 51.21 H new ATOM 0 HB3 CYS A 88 6.708 -15.422 -5.959 1.00 51.21 H new ATOM 0 HG CYS A 88 8.046 -13.773 -8.227 1.00 1.31 H new ATOM 1441 N TYR A 89 7.408 -18.594 -6.188 1.00 42.40 N ATOM 1442 CA TYR A 89 7.213 -19.624 -5.152 1.00 44.22 C ATOM 1443 C TYR A 89 8.300 -20.721 -5.244 1.00 65.50 C ATOM 1444 O TYR A 89 8.022 -21.917 -5.115 1.00 23.05 O ATOM 1445 CB TYR A 89 5.800 -20.219 -5.306 1.00 41.03 C ATOM 1446 CG TYR A 89 5.231 -20.856 -4.048 1.00 73.02 C ATOM 1447 CD1 TYR A 89 5.442 -20.289 -2.793 1.00 42.33 C ATOM 1448 CD2 TYR A 89 4.467 -22.015 -4.120 1.00 50.11 C ATOM 1449 CE1 TYR A 89 4.910 -20.862 -1.653 1.00 54.13 C ATOM 1450 CE2 TYR A 89 3.930 -22.589 -2.986 1.00 61.10 C ATOM 1451 CZ TYR A 89 4.154 -22.011 -1.756 1.00 63.42 C ATOM 1452 OH TYR A 89 3.618 -22.587 -0.625 1.00 62.40 O ATOM 0 H TYR A 89 6.856 -18.742 -7.033 1.00 42.40 H new ATOM 0 HA TYR A 89 7.307 -19.170 -4.165 1.00 44.22 H new ATOM 0 HB2 TYR A 89 5.123 -19.430 -5.634 1.00 41.03 H new ATOM 0 HB3 TYR A 89 5.822 -20.969 -6.097 1.00 41.03 H new ATOM 0 HD1 TYR A 89 6.031 -19.387 -2.709 1.00 42.33 H new ATOM 0 HD2 TYR A 89 4.290 -22.475 -5.081 1.00 50.11 H new ATOM 0 HE1 TYR A 89 5.085 -20.412 -0.687 1.00 54.13 H new ATOM 0 HE2 TYR A 89 3.336 -23.488 -3.063 1.00 61.10 H new ATOM 0 HH TYR A 89 3.113 -23.389 -0.874 1.00 62.40 H new ATOM 1462 N LYS A 90 9.544 -20.284 -5.434 1.00 21.53 N ATOM 1463 CA LYS A 90 10.691 -21.180 -5.646 1.00 15.34 C ATOM 1464 C LYS A 90 11.368 -21.575 -4.317 1.00 50.40 C ATOM 1465 O LYS A 90 11.786 -20.709 -3.548 1.00 72.05 O ATOM 1466 CB LYS A 90 11.710 -20.466 -6.550 1.00 13.24 C ATOM 1467 CG LYS A 90 12.989 -21.253 -6.824 1.00 53.13 C ATOM 1468 CD LYS A 90 12.768 -22.373 -7.833 1.00 34.42 C ATOM 1469 CE LYS A 90 14.051 -23.154 -8.094 1.00 32.24 C ATOM 1470 NZ LYS A 90 15.192 -22.263 -8.463 1.00 53.02 N ATOM 0 H LYS A 90 9.791 -19.294 -5.446 1.00 21.53 H new ATOM 0 HA LYS A 90 10.331 -22.096 -6.114 1.00 15.34 H new ATOM 0 HB2 LYS A 90 11.231 -20.236 -7.502 1.00 13.24 H new ATOM 0 HB3 LYS A 90 11.978 -19.515 -6.090 1.00 13.24 H new ATOM 0 HG2 LYS A 90 13.758 -20.576 -7.197 1.00 53.13 H new ATOM 0 HG3 LYS A 90 13.361 -21.675 -5.891 1.00 53.13 H new ATOM 0 HD2 LYS A 90 11.998 -23.050 -7.463 1.00 34.42 H new ATOM 0 HD3 LYS A 90 12.400 -21.953 -8.769 1.00 34.42 H new ATOM 0 HE2 LYS A 90 14.313 -23.726 -7.204 1.00 32.24 H new ATOM 0 HE3 LYS A 90 13.880 -23.872 -8.896 1.00 32.24 H new ATOM 0 HZ1 LYS A 90 15.797 -22.744 -9.159 1.00 53.02 H new ATOM 0 HZ2 LYS A 90 14.825 -21.381 -8.874 1.00 53.02 H new ATOM 0 HZ3 LYS A 90 15.750 -22.043 -7.613 1.00 53.02 H new ATOM 1484 N THR A 91 11.488 -22.881 -4.055 1.00 44.25 N ATOM 1485 CA THR A 91 12.193 -23.363 -2.850 1.00 23.22 C ATOM 1486 C THR A 91 13.721 -23.225 -2.986 1.00 62.41 C ATOM 1487 O THR A 91 14.368 -22.552 -2.183 1.00 74.34 O ATOM 1488 CB THR A 91 11.841 -24.838 -2.506 1.00 31.42 C ATOM 1489 OG1 THR A 91 12.710 -25.329 -1.470 1.00 62.54 O ATOM 1490 CG2 THR A 91 11.938 -25.747 -3.731 1.00 55.15 C ATOM 0 H THR A 91 11.113 -23.620 -4.650 1.00 44.25 H new ATOM 0 HA THR A 91 11.849 -22.727 -2.035 1.00 23.22 H new ATOM 0 HB THR A 91 10.809 -24.853 -2.157 1.00 31.42 H new ATOM 0 HG1 THR A 91 12.478 -26.258 -1.261 1.00 62.54 H new ATOM 0 HG21 THR A 91 11.684 -26.768 -3.447 1.00 55.15 H new ATOM 0 HG22 THR A 91 11.244 -25.400 -4.497 1.00 55.15 H new ATOM 0 HG23 THR A 91 12.955 -25.721 -4.124 1.00 55.15 H new ATOM 1498 N SER A 92 14.297 -23.855 -4.007 1.00 20.44 N ATOM 1499 CA SER A 92 15.747 -23.789 -4.238 1.00 44.04 C ATOM 1500 C SER A 92 16.140 -22.431 -4.833 1.00 62.05 C ATOM 1501 O SER A 92 16.027 -22.214 -6.039 1.00 20.32 O ATOM 1502 CB SER A 92 16.201 -24.924 -5.172 1.00 62.14 C ATOM 1503 OG SER A 92 15.808 -26.196 -4.673 1.00 3.51 O ATOM 0 H SER A 92 13.788 -24.417 -4.689 1.00 20.44 H new ATOM 0 HA SER A 92 16.246 -23.907 -3.276 1.00 44.04 H new ATOM 0 HB2 SER A 92 15.775 -24.773 -6.164 1.00 62.14 H new ATOM 0 HB3 SER A 92 17.285 -24.894 -5.283 1.00 62.14 H new ATOM 0 HG SER A 92 16.109 -26.896 -5.289 1.00 3.51 H new ATOM 1509 N ALA A 93 16.575 -21.512 -3.982 1.00 13.13 N ATOM 1510 CA ALA A 93 16.981 -20.179 -4.427 1.00 55.21 C ATOM 1511 C ALA A 93 18.422 -20.181 -4.953 1.00 31.12 C ATOM 1512 O ALA A 93 19.258 -20.957 -4.493 1.00 1.13 O ATOM 1513 CB ALA A 93 16.828 -19.175 -3.291 1.00 22.11 C ATOM 0 H ALA A 93 16.657 -21.662 -2.976 1.00 13.13 H new ATOM 0 HA ALA A 93 16.328 -19.884 -5.249 1.00 55.21 H new ATOM 0 HB1 ALA A 93 17.133 -18.187 -3.635 1.00 22.11 H new ATOM 0 HB2 ALA A 93 15.786 -19.142 -2.972 1.00 22.11 H new ATOM 0 HB3 ALA A 93 17.455 -19.477 -2.452 1.00 22.11 H new