USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 864 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 52 CYS SG : rot 42:sc= 0.933 USER MOD Set 1.2: A 88 CYS SG : rot 176:sc= -5.02! USER MOD Set 2.1: A 54 ASN : amide:sc= -0.89! C(o=-1!,f=-13!) USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= -0.111 USER MOD Set 3.1: A 36 LYS NZ :NH3+ 156:sc= 0.706 (180deg=-0.429) USER MOD Set 3.2: A 43 TYR OH : rot 47:sc= 0.7 USER MOD Set 4.1: A 11 GLN : amide:sc= -1.53 K(o=-1.6,f=-8!) USER MOD Set 4.2: A 19 TYR OH : rot 38:sc= -0.0359 USER MOD Set 5.1: A 4 MET CE :methyl 172:sc= -0.239 (180deg=-0.299) USER MOD Set 5.2: A 8 LYS NZ :NH3+ -108:sc= 1 (180deg=-3.93!) USER MOD Set 5.3: A 22 GLN : amide:sc= -2.29! C(o=-0.66!,f=-1.8!) USER MOD Set 5.4: A 30 TYR OH : rot 110:sc= 0.876 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.0667 (180deg=-0.0777) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 9 ASN : amide:sc= -1.74 X(o=-1.7,f=-1.9!) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 HIS : no HD1:sc= -0.0426 X(o=-0.043,f=-0.41) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -160:sc= -0.248 (180deg=-1.14) USER MOD Single : A 21 SER OG : rot -32:sc= 0.211 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.16) USER MOD Single : A 34 THR OG1 : rot -92:sc= 1.31 USER MOD Single : A 35 THR OG1 : rot -26:sc= 0.738 USER MOD Single : A 39 THR OG1 : rot 66:sc= 0.729 USER MOD Single : A 44 TYR OH : rot 34:sc= -1.99! USER MOD Single : A 49 TYR OH : rot 60:sc= 0.434 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -133:sc= 0.872 USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 62 CYS SG : rot 125:sc= -0.575 USER MOD Single : A 66 THR OG1 : rot 75:sc= 0.278 USER MOD Single : A 72 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0228) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 164:sc= -0.0462 (180deg=-0.341) USER MOD Single : A 83 HIS : no HD1:sc= -4.77! C(o=-4.8!,f=-6.9!) 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+ -158:sc= 2.51 (180deg=1.81) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -143:sc=0.000552 USER MOD Single : A 94 HIS : no HD1:sc= -0.495 X(o=-0.49,f=-0.21) USER MOD Single : A 98 MET CE :methyl -161:sc= -0.0991 (180deg=-0.569) USER MOD Single : A 106 HIS : no HD1:sc=-0.00431 X(o=-0.0043,f=-0.077) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HD1:sc= -0.108 X(o=-0.11,f=-0.0051) USER MOD Single : A 109 HIS : no HD1:sc= -0.998 K(o=-1,f=-1.7) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 111 HIS : no HE2:sc= -0.237 K(o=-0.24,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.624 -5.730 1.339 1.00 51.33 N ATOM 2 CA MET A 1 0.213 -6.094 1.656 1.00 24.50 C ATOM 3 C MET A 1 -0.627 -6.256 0.376 1.00 45.34 C ATOM 4 O MET A 1 -0.077 -6.373 -0.721 1.00 51.13 O ATOM 5 CB MET A 1 -0.406 -5.038 2.582 1.00 41.32 C ATOM 6 CG MET A 1 0.277 -4.960 3.940 1.00 33.23 C ATOM 7 SD MET A 1 0.281 -6.553 4.783 1.00 10.12 S ATOM 8 CE MET A 1 1.279 -6.183 6.225 1.00 74.03 C ATOM 0 H1 MET A 1 2.267 -6.424 1.771 1.00 51.33 H new ATOM 0 H2 MET A 1 1.759 -5.728 0.308 1.00 51.33 H new ATOM 0 H3 MET A 1 1.832 -4.784 1.717 1.00 51.33 H new ATOM 0 HA MET A 1 0.216 -7.056 2.169 1.00 24.50 H new ATOM 0 HB2 MET A 1 -0.352 -4.063 2.098 1.00 41.32 H new ATOM 0 HB3 MET A 1 -1.463 -5.264 2.726 1.00 41.32 H new ATOM 0 HG2 MET A 1 1.303 -4.615 3.811 1.00 33.23 H new ATOM 0 HG3 MET A 1 -0.232 -4.222 4.560 1.00 33.23 H new ATOM 0 HE1 MET A 1 1.370 -7.076 6.843 1.00 74.03 H new ATOM 0 HE2 MET A 1 2.270 -5.858 5.908 1.00 74.03 H new ATOM 0 HE3 MET A 1 0.805 -5.389 6.802 1.00 74.03 H new ATOM 20 N SER A 2 -1.957 -6.254 0.517 1.00 71.31 N ATOM 21 CA SER A 2 -2.874 -6.557 -0.601 1.00 14.11 C ATOM 22 C SER A 2 -2.682 -5.649 -1.831 1.00 2.25 C ATOM 23 O SER A 2 -3.171 -5.979 -2.906 1.00 33.11 O ATOM 24 CB SER A 2 -4.335 -6.485 -0.137 1.00 40.23 C ATOM 25 OG SER A 2 -4.613 -7.491 0.824 1.00 15.23 O ATOM 0 H SER A 2 -2.430 -6.046 1.396 1.00 71.31 H new ATOM 0 HA SER A 2 -2.625 -7.571 -0.915 1.00 14.11 H new ATOM 0 HB2 SER A 2 -4.537 -5.503 0.291 1.00 40.23 H new ATOM 0 HB3 SER A 2 -4.999 -6.602 -0.994 1.00 40.23 H new ATOM 0 HG SER A 2 -5.549 -7.424 1.106 1.00 15.23 H new ATOM 31 N TRP A 3 -1.982 -4.518 -1.675 1.00 24.43 N ATOM 32 CA TRP A 3 -1.675 -3.624 -2.812 1.00 23.25 C ATOM 33 C TRP A 3 -1.189 -4.425 -4.035 1.00 73.14 C ATOM 34 O TRP A 3 -1.683 -4.245 -5.152 1.00 71.04 O ATOM 35 CB TRP A 3 -0.600 -2.593 -2.419 1.00 0.42 C ATOM 36 CG TRP A 3 -0.972 -1.741 -1.239 1.00 10.23 C ATOM 37 CD1 TRP A 3 -2.035 -0.890 -1.144 1.00 0.31 C ATOM 38 CD2 TRP A 3 -0.270 -1.646 0.008 1.00 33.41 C ATOM 39 NE1 TRP A 3 -2.045 -0.284 0.088 1.00 70.22 N ATOM 40 CE2 TRP A 3 -0.972 -0.730 0.813 1.00 72.21 C ATOM 41 CE3 TRP A 3 0.882 -2.250 0.522 1.00 3.24 C ATOM 42 CZ2 TRP A 3 -0.561 -0.404 2.103 1.00 43.31 C ATOM 43 CZ3 TRP A 3 1.289 -1.927 1.803 1.00 72.03 C ATOM 44 CH2 TRP A 3 0.569 -1.012 2.581 1.00 45.12 C ATOM 0 H TRP A 3 -1.616 -4.196 -0.779 1.00 24.43 H new ATOM 0 HA TRP A 3 -2.596 -3.104 -3.075 1.00 23.25 H new ATOM 0 HB2 TRP A 3 0.328 -3.119 -2.196 1.00 0.42 H new ATOM 0 HB3 TRP A 3 -0.403 -1.946 -3.273 1.00 0.42 H new ATOM 0 HD1 TRP A 3 -2.762 -0.718 -1.924 1.00 0.31 H new ATOM 0 HE1 TRP A 3 -2.739 0.390 0.411 1.00 70.22 H new ATOM 0 HE3 TRP A 3 1.444 -2.956 -0.071 1.00 3.24 H new ATOM 0 HZ2 TRP A 3 -1.113 0.303 2.705 1.00 43.31 H new ATOM 0 HZ3 TRP A 3 2.177 -2.388 2.210 1.00 72.03 H new ATOM 0 HH2 TRP A 3 0.912 -0.781 3.579 1.00 45.12 H new ATOM 55 N MET A 4 -0.242 -5.331 -3.792 1.00 25.43 N ATOM 56 CA MET A 4 0.319 -6.187 -4.844 1.00 62.15 C ATOM 57 C MET A 4 -0.787 -6.927 -5.616 1.00 32.43 C ATOM 58 O MET A 4 -0.965 -6.726 -6.817 1.00 3.21 O ATOM 59 CB MET A 4 1.290 -7.200 -4.216 1.00 32.33 C ATOM 60 CG MET A 4 2.463 -6.555 -3.487 1.00 44.33 C ATOM 61 SD MET A 4 3.425 -7.738 -2.517 1.00 24.42 S ATOM 62 CE MET A 4 4.008 -8.850 -3.796 1.00 20.42 C ATOM 0 H MET A 4 0.157 -5.494 -2.868 1.00 25.43 H new ATOM 0 HA MET A 4 0.853 -5.554 -5.553 1.00 62.15 H new ATOM 0 HB2 MET A 4 0.741 -7.830 -3.516 1.00 32.33 H new ATOM 0 HB3 MET A 4 1.675 -7.854 -4.999 1.00 32.33 H new ATOM 0 HG2 MET A 4 3.116 -6.073 -4.215 1.00 44.33 H new ATOM 0 HG3 MET A 4 2.088 -5.772 -2.828 1.00 44.33 H new ATOM 0 HE1 MET A 4 4.729 -9.548 -3.370 1.00 20.42 H new ATOM 0 HE2 MET A 4 3.165 -9.405 -4.207 1.00 20.42 H new ATOM 0 HE3 MET A 4 4.485 -8.274 -4.589 1.00 20.42 H new ATOM 72 N GLN A 5 -1.551 -7.757 -4.909 1.00 11.40 N ATOM 73 CA GLN A 5 -2.615 -8.549 -5.536 1.00 32.21 C ATOM 74 C GLN A 5 -3.802 -7.680 -5.986 1.00 43.21 C ATOM 75 O GLN A 5 -4.592 -8.093 -6.833 1.00 14.11 O ATOM 76 CB GLN A 5 -3.099 -9.653 -4.585 1.00 33.04 C ATOM 77 CG GLN A 5 -3.623 -9.144 -3.249 1.00 51.05 C ATOM 78 CD GLN A 5 -4.109 -10.268 -2.346 1.00 55.44 C ATOM 79 OE1 GLN A 5 -5.276 -10.639 -2.370 1.00 51.32 O ATOM 80 NE2 GLN A 5 -3.218 -10.833 -1.553 1.00 34.43 N ATOM 0 H GLN A 5 -1.456 -7.901 -3.904 1.00 11.40 H new ATOM 0 HA GLN A 5 -2.187 -9.005 -6.429 1.00 32.21 H new ATOM 0 HB2 GLN A 5 -3.887 -10.221 -5.078 1.00 33.04 H new ATOM 0 HB3 GLN A 5 -2.276 -10.343 -4.400 1.00 33.04 H new ATOM 0 HG2 GLN A 5 -2.834 -8.590 -2.741 1.00 51.05 H new ATOM 0 HG3 GLN A 5 -4.441 -8.445 -3.426 1.00 51.05 H new ATOM 0 HE21 GLN A 5 -2.253 -10.503 -1.554 1.00 34.43 H new ATOM 0 HE22 GLN A 5 -3.495 -11.599 -0.939 1.00 34.43 H new ATOM 89 N ASN A 6 -3.917 -6.474 -5.431 1.00 45.30 N ATOM 90 CA ASN A 6 -5.000 -5.554 -5.795 1.00 63.34 C ATOM 91 C ASN A 6 -4.834 -5.058 -7.242 1.00 51.23 C ATOM 92 O ASN A 6 -5.812 -4.904 -7.975 1.00 53.21 O ATOM 93 CB ASN A 6 -5.039 -4.369 -4.819 1.00 13.21 C ATOM 94 CG ASN A 6 -6.273 -3.502 -4.999 1.00 73.35 C ATOM 95 OD1 ASN A 6 -6.270 -2.540 -5.756 1.00 61.21 O ATOM 96 ND2 ASN A 6 -7.338 -3.829 -4.296 1.00 50.04 N ATOM 0 H ASN A 6 -3.275 -6.109 -4.728 1.00 45.30 H new ATOM 0 HA ASN A 6 -5.946 -6.092 -5.730 1.00 63.34 H new ATOM 0 HB2 ASN A 6 -5.010 -4.745 -3.796 1.00 13.21 H new ATOM 0 HB3 ASN A 6 -4.147 -3.758 -4.960 1.00 13.21 H new ATOM 0 HD21 ASN A 6 -8.191 -3.275 -4.374 1.00 50.04 H new ATOM 0 HD22 ASN A 6 -7.310 -4.636 -3.673 1.00 50.04 H new ATOM 103 N LEU A 7 -3.589 -4.801 -7.649 1.00 32.34 N ATOM 104 CA LEU A 7 -3.308 -4.420 -9.042 1.00 22.34 C ATOM 105 C LEU A 7 -2.848 -5.622 -9.885 1.00 45.21 C ATOM 106 O LEU A 7 -2.776 -5.535 -11.111 1.00 73.55 O ATOM 107 CB LEU A 7 -2.268 -3.287 -9.111 1.00 64.25 C ATOM 108 CG LEU A 7 -2.738 -1.922 -8.563 1.00 32.13 C ATOM 109 CD1 LEU A 7 -2.757 -1.910 -7.035 1.00 55.22 C ATOM 110 CD2 LEU A 7 -1.870 -0.789 -9.107 1.00 4.14 C ATOM 0 H LEU A 7 -2.767 -4.848 -7.046 1.00 32.34 H new ATOM 0 HA LEU A 7 -4.244 -4.056 -9.465 1.00 22.34 H new ATOM 0 HB2 LEU A 7 -1.382 -3.596 -8.557 1.00 64.25 H new ATOM 0 HB3 LEU A 7 -1.965 -3.157 -10.150 1.00 64.25 H new ATOM 0 HG LEU A 7 -3.760 -1.762 -8.906 1.00 32.13 H new ATOM 0 HD11 LEU A 7 -3.092 -0.934 -6.683 1.00 55.22 H new ATOM 0 HD12 LEU A 7 -3.438 -2.680 -6.674 1.00 55.22 H new ATOM 0 HD13 LEU A 7 -1.754 -2.107 -6.657 1.00 55.22 H new ATOM 0 HD21 LEU A 7 -2.221 0.162 -8.707 1.00 4.14 H new ATOM 0 HD22 LEU A 7 -0.834 -0.949 -8.808 1.00 4.14 H new ATOM 0 HD23 LEU A 7 -1.935 -0.771 -10.195 1.00 4.14 H new ATOM 122 N LYS A 8 -2.539 -6.740 -9.227 1.00 23.44 N ATOM 123 CA LYS A 8 -2.155 -7.971 -9.932 1.00 43.41 C ATOM 124 C LYS A 8 -3.388 -8.775 -10.377 1.00 14.03 C ATOM 125 O LYS A 8 -3.538 -9.102 -11.554 1.00 23.44 O ATOM 126 CB LYS A 8 -1.270 -8.843 -9.034 1.00 1.22 C ATOM 127 CG LYS A 8 -0.779 -10.122 -9.706 1.00 44.23 C ATOM 128 CD LYS A 8 0.258 -9.845 -10.793 1.00 53.15 C ATOM 129 CE LYS A 8 1.557 -9.278 -10.223 1.00 13.21 C ATOM 130 NZ LYS A 8 2.212 -10.214 -9.267 1.00 10.53 N ATOM 0 H LYS A 8 -2.546 -6.822 -8.210 1.00 23.44 H new ATOM 0 HA LYS A 8 -1.598 -7.680 -10.822 1.00 43.41 H new ATOM 0 HB2 LYS A 8 -0.408 -8.259 -8.713 1.00 1.22 H new ATOM 0 HB3 LYS A 8 -1.829 -9.107 -8.136 1.00 1.22 H new ATOM 0 HG2 LYS A 8 -0.346 -10.782 -8.954 1.00 44.23 H new ATOM 0 HG3 LYS A 8 -1.627 -10.649 -10.142 1.00 44.23 H new ATOM 0 HD2 LYS A 8 0.472 -10.768 -11.331 1.00 53.15 H new ATOM 0 HD3 LYS A 8 -0.156 -9.143 -11.517 1.00 53.15 H new ATOM 0 HE2 LYS A 8 2.244 -9.058 -11.040 1.00 13.21 H new ATOM 0 HE3 LYS A 8 1.348 -8.334 -9.719 1.00 13.21 H new ATOM 0 HZ1 LYS A 8 2.112 -9.848 -8.299 1.00 10.53 H new ATOM 0 HZ2 LYS A 8 1.761 -11.149 -9.332 1.00 10.53 H new ATOM 0 HZ3 LYS A 8 3.221 -10.300 -9.502 1.00 10.53 H new ATOM 144 N ASN A 9 -4.260 -9.110 -9.423 1.00 73.30 N ATOM 145 CA ASN A 9 -5.490 -9.852 -9.729 1.00 14.40 C ATOM 146 C ASN A 9 -6.403 -9.035 -10.655 1.00 33.32 C ATOM 147 O ASN A 9 -6.957 -9.558 -11.623 1.00 12.41 O ATOM 148 CB ASN A 9 -6.236 -10.220 -8.438 1.00 24.31 C ATOM 149 CG ASN A 9 -5.435 -11.137 -7.523 1.00 62.33 C ATOM 150 OD1 ASN A 9 -5.562 -11.082 -6.304 1.00 61.42 O ATOM 151 ND2 ASN A 9 -4.609 -11.995 -8.094 1.00 12.23 N ATOM 0 H ASN A 9 -4.140 -8.882 -8.436 1.00 73.30 H new ATOM 0 HA ASN A 9 -5.210 -10.771 -10.243 1.00 14.40 H new ATOM 0 HB2 ASN A 9 -6.486 -9.307 -7.898 1.00 24.31 H new ATOM 0 HB3 ASN A 9 -7.177 -10.706 -8.696 1.00 24.31 H new ATOM 0 HD21 ASN A 9 -4.058 -12.632 -7.519 1.00 12.23 H new ATOM 0 HD22 ASN A 9 -4.522 -12.020 -9.110 1.00 12.23 H new ATOM 158 N TYR A 10 -6.562 -7.748 -10.348 1.00 70.34 N ATOM 159 CA TYR A 10 -7.312 -6.838 -11.216 1.00 13.13 C ATOM 160 C TYR A 10 -6.367 -6.163 -12.225 1.00 53.14 C ATOM 161 O TYR A 10 -5.917 -5.031 -12.020 1.00 22.24 O ATOM 162 CB TYR A 10 -8.063 -5.785 -10.381 1.00 44.41 C ATOM 163 CG TYR A 10 -8.982 -4.898 -11.199 1.00 62.24 C ATOM 164 CD1 TYR A 10 -10.190 -5.383 -11.686 1.00 41.21 C ATOM 165 CD2 TYR A 10 -8.638 -3.583 -11.495 1.00 11.33 C ATOM 166 CE1 TYR A 10 -11.026 -4.586 -12.441 1.00 13.34 C ATOM 167 CE2 TYR A 10 -9.468 -2.781 -12.253 1.00 4.32 C ATOM 168 CZ TYR A 10 -10.661 -3.287 -12.722 1.00 61.10 C ATOM 169 OH TYR A 10 -11.489 -2.492 -13.485 1.00 14.21 O ATOM 0 H TYR A 10 -6.183 -7.312 -9.507 1.00 70.34 H new ATOM 0 HA TYR A 10 -8.050 -7.418 -11.770 1.00 13.13 H new ATOM 0 HB2 TYR A 10 -8.650 -6.293 -9.616 1.00 44.41 H new ATOM 0 HB3 TYR A 10 -7.336 -5.160 -9.863 1.00 44.41 H new ATOM 0 HD1 TYR A 10 -10.479 -6.401 -11.470 1.00 41.21 H new ATOM 0 HD2 TYR A 10 -7.706 -3.182 -11.126 1.00 11.33 H new ATOM 0 HE1 TYR A 10 -11.962 -4.978 -12.810 1.00 13.34 H new ATOM 0 HE2 TYR A 10 -9.184 -1.763 -12.477 1.00 4.32 H new ATOM 0 HH TYR A 10 -11.086 -1.605 -13.589 1.00 14.21 H new ATOM 179 N GLN A 11 -6.039 -6.889 -13.292 1.00 50.41 N ATOM 180 CA GLN A 11 -5.129 -6.392 -14.333 1.00 63.41 C ATOM 181 C GLN A 11 -5.895 -5.758 -15.511 1.00 45.23 C ATOM 182 O GLN A 11 -6.095 -4.541 -15.554 1.00 72.43 O ATOM 183 CB GLN A 11 -4.230 -7.543 -14.831 1.00 65.23 C ATOM 184 CG GLN A 11 -3.346 -7.198 -16.037 1.00 23.12 C ATOM 185 CD GLN A 11 -2.218 -6.226 -15.718 1.00 64.23 C ATOM 186 OE1 GLN A 11 -2.319 -5.400 -14.822 1.00 50.33 O ATOM 187 NE2 GLN A 11 -1.139 -6.300 -16.471 1.00 1.22 N ATOM 0 H GLN A 11 -6.391 -7.831 -13.463 1.00 50.41 H new ATOM 0 HA GLN A 11 -4.509 -5.610 -13.894 1.00 63.41 H new ATOM 0 HB2 GLN A 11 -3.589 -7.865 -14.010 1.00 65.23 H new ATOM 0 HB3 GLN A 11 -4.863 -8.391 -15.094 1.00 65.23 H new ATOM 0 HG2 GLN A 11 -2.918 -8.118 -16.436 1.00 23.12 H new ATOM 0 HG3 GLN A 11 -3.970 -6.770 -16.822 1.00 23.12 H new ATOM 0 HE21 GLN A 11 -1.081 -6.999 -17.212 1.00 1.22 H new ATOM 0 HE22 GLN A 11 -0.362 -5.658 -16.313 1.00 1.22 H new ATOM 196 N HIS A 12 -6.335 -6.596 -16.456 1.00 55.14 N ATOM 197 CA HIS A 12 -7.000 -6.134 -17.682 1.00 15.35 C ATOM 198 C HIS A 12 -6.201 -5.009 -18.378 1.00 53.32 C ATOM 199 O HIS A 12 -6.697 -3.894 -18.550 1.00 1.13 O ATOM 200 CB HIS A 12 -8.435 -5.678 -17.373 1.00 21.45 C ATOM 201 CG HIS A 12 -9.271 -5.438 -18.598 1.00 1.51 C ATOM 202 ND1 HIS A 12 -9.543 -4.181 -19.094 1.00 60.22 N ATOM 203 CD2 HIS A 12 -9.897 -6.306 -19.431 1.00 21.14 C ATOM 204 CE1 HIS A 12 -10.294 -4.285 -20.171 1.00 62.23 C ATOM 205 NE2 HIS A 12 -10.524 -5.559 -20.396 1.00 11.14 N ATOM 0 H HIS A 12 -6.241 -7.610 -16.394 1.00 55.14 H new ATOM 0 HA HIS A 12 -7.043 -6.975 -18.375 1.00 15.35 H new ATOM 0 HB2 HIS A 12 -8.921 -6.433 -16.755 1.00 21.45 H new ATOM 0 HB3 HIS A 12 -8.396 -4.761 -16.785 1.00 21.45 H new ATOM 0 HD2 HIS A 12 -9.901 -7.383 -19.350 1.00 21.14 H new ATOM 0 HE1 HIS A 12 -10.659 -3.462 -20.768 1.00 62.23 H new ATOM 0 HE2 HIS A 12 -11.080 -5.933 -21.165 1.00 11.14 H new ATOM 214 N LEU A 13 -4.957 -5.320 -18.763 1.00 72.14 N ATOM 215 CA LEU A 13 -4.065 -4.353 -19.432 1.00 2.54 C ATOM 216 C LEU A 13 -3.853 -3.086 -18.578 1.00 10.35 C ATOM 217 O LEU A 13 -4.176 -1.970 -18.998 1.00 4.23 O ATOM 218 CB LEU A 13 -4.620 -3.980 -20.820 1.00 22.05 C ATOM 219 CG LEU A 13 -4.847 -5.162 -21.781 1.00 13.34 C ATOM 220 CD1 LEU A 13 -5.458 -4.678 -23.093 1.00 72.24 C ATOM 221 CD2 LEU A 13 -3.539 -5.914 -22.036 1.00 12.21 C ATOM 0 H LEU A 13 -4.539 -6.240 -18.623 1.00 72.14 H new ATOM 0 HA LEU A 13 -3.094 -4.832 -19.556 1.00 2.54 H new ATOM 0 HB2 LEU A 13 -5.567 -3.457 -20.685 1.00 22.05 H new ATOM 0 HB3 LEU A 13 -3.932 -3.278 -21.291 1.00 22.05 H new ATOM 0 HG LEU A 13 -5.548 -5.853 -21.312 1.00 13.34 H new ATOM 0 HD11 LEU A 13 -5.611 -5.528 -23.759 1.00 72.24 H new ATOM 0 HD12 LEU A 13 -6.415 -4.197 -22.893 1.00 72.24 H new ATOM 0 HD13 LEU A 13 -4.785 -3.963 -23.566 1.00 72.24 H new ATOM 0 HD21 LEU A 13 -3.724 -6.745 -22.717 1.00 12.21 H new ATOM 0 HD22 LEU A 13 -2.810 -5.236 -22.480 1.00 12.21 H new ATOM 0 HD23 LEU A 13 -3.150 -6.298 -21.093 1.00 12.21 H new ATOM 233 N ARG A 14 -3.285 -3.265 -17.386 1.00 45.03 N ATOM 234 CA ARG A 14 -3.156 -2.175 -16.409 1.00 33.44 C ATOM 235 C ARG A 14 -1.715 -1.610 -16.370 1.00 45.24 C ATOM 236 O ARG A 14 -0.896 -1.893 -17.252 1.00 34.24 O ATOM 237 CB ARG A 14 -3.580 -2.705 -15.026 1.00 24.52 C ATOM 238 CG ARG A 14 -4.056 -1.642 -14.042 1.00 21.10 C ATOM 239 CD ARG A 14 -4.540 -2.271 -12.743 1.00 31.15 C ATOM 240 NE ARG A 14 -5.001 -1.272 -11.789 1.00 32.34 N ATOM 241 CZ ARG A 14 -5.573 -1.556 -10.654 1.00 2.22 C ATOM 242 NH1 ARG A 14 -5.798 -2.789 -10.317 1.00 41.14 N ATOM 243 NH2 ARG A 14 -5.931 -0.604 -9.863 1.00 62.40 N ATOM 0 H ARG A 14 -2.904 -4.157 -17.069 1.00 45.03 H new ATOM 0 HA ARG A 14 -3.805 -1.351 -16.704 1.00 33.44 H new ATOM 0 HB2 ARG A 14 -4.379 -3.434 -15.163 1.00 24.52 H new ATOM 0 HB3 ARG A 14 -2.737 -3.235 -14.584 1.00 24.52 H new ATOM 0 HG2 ARG A 14 -3.243 -0.947 -13.832 1.00 21.10 H new ATOM 0 HG3 ARG A 14 -4.863 -1.062 -14.491 1.00 21.10 H new ATOM 0 HD2 ARG A 14 -5.350 -2.968 -12.958 1.00 31.15 H new ATOM 0 HD3 ARG A 14 -3.731 -2.851 -12.298 1.00 31.15 H new ATOM 0 HE ARG A 14 -4.868 -0.289 -12.024 1.00 32.34 H new ATOM 0 HH11 ARG A 14 -5.526 -3.547 -10.943 1.00 41.14 H new ATOM 0 HH12 ARG A 14 -6.247 -3.000 -9.426 1.00 41.14 H new ATOM 0 HH21 ARG A 14 -5.766 0.367 -10.127 1.00 62.40 H new ATOM 0 HH22 ARG A 14 -6.379 -0.822 -8.973 1.00 62.40 H new ATOM 257 N ASP A 15 -1.421 -0.794 -15.356 1.00 44.41 N ATOM 258 CA ASP A 15 -0.109 -0.160 -15.202 1.00 21.33 C ATOM 259 C ASP A 15 0.963 -1.171 -14.740 1.00 31.34 C ATOM 260 O ASP A 15 0.786 -1.860 -13.735 1.00 12.22 O ATOM 261 CB ASP A 15 -0.224 0.987 -14.194 1.00 23.04 C ATOM 262 CG ASP A 15 -1.403 1.890 -14.506 1.00 72.45 C ATOM 263 OD1 ASP A 15 -1.247 2.827 -15.317 1.00 2.45 O ATOM 264 OD2 ASP A 15 -2.503 1.648 -13.967 1.00 45.14 O ATOM 0 H ASP A 15 -2.084 -0.554 -14.619 1.00 44.41 H new ATOM 0 HA ASP A 15 0.205 0.225 -16.172 1.00 21.33 H new ATOM 0 HB2 ASP A 15 -0.333 0.579 -13.189 1.00 23.04 H new ATOM 0 HB3 ASP A 15 0.695 1.572 -14.202 1.00 23.04 H new ATOM 269 N PRO A 16 2.101 -1.262 -15.460 1.00 15.23 N ATOM 270 CA PRO A 16 3.170 -2.224 -15.140 1.00 10.13 C ATOM 271 C PRO A 16 4.133 -1.730 -14.043 1.00 33.31 C ATOM 272 O PRO A 16 5.080 -2.431 -13.679 1.00 43.21 O ATOM 273 CB PRO A 16 3.898 -2.353 -16.480 1.00 12.01 C ATOM 274 CG PRO A 16 3.774 -0.999 -17.099 1.00 73.14 C ATOM 275 CD PRO A 16 2.437 -0.449 -16.650 1.00 0.11 C ATOM 0 HA PRO A 16 2.776 -3.158 -14.740 1.00 10.13 H new ATOM 0 HB2 PRO A 16 4.942 -2.632 -16.340 1.00 12.01 H new ATOM 0 HB3 PRO A 16 3.444 -3.120 -17.107 1.00 12.01 H new ATOM 0 HG2 PRO A 16 4.589 -0.349 -16.780 1.00 73.14 H new ATOM 0 HG3 PRO A 16 3.824 -1.062 -18.186 1.00 73.14 H new ATOM 0 HD2 PRO A 16 2.503 0.611 -16.404 1.00 0.11 H new ATOM 0 HD3 PRO A 16 1.681 -0.549 -17.429 1.00 0.11 H new ATOM 283 N SER A 17 3.887 -0.529 -13.519 1.00 72.15 N ATOM 284 CA SER A 17 4.742 0.062 -12.475 1.00 33.51 C ATOM 285 C SER A 17 4.856 -0.851 -11.245 1.00 31.01 C ATOM 286 O SER A 17 5.960 -1.193 -10.806 1.00 21.14 O ATOM 287 CB SER A 17 4.197 1.434 -12.055 1.00 61.21 C ATOM 288 OG SER A 17 4.146 2.319 -13.164 1.00 15.23 O ATOM 0 H SER A 17 3.102 0.059 -13.798 1.00 72.15 H new ATOM 0 HA SER A 17 5.739 0.180 -12.899 1.00 33.51 H new ATOM 0 HB2 SER A 17 3.200 1.319 -11.630 1.00 61.21 H new ATOM 0 HB3 SER A 17 4.829 1.858 -11.275 1.00 61.21 H new ATOM 0 HG SER A 17 3.794 3.187 -12.874 1.00 15.23 H new ATOM 294 N GLU A 18 3.714 -1.240 -10.689 1.00 42.52 N ATOM 295 CA GLU A 18 3.685 -2.159 -9.546 1.00 41.44 C ATOM 296 C GLU A 18 4.373 -3.491 -9.880 1.00 52.43 C ATOM 297 O GLU A 18 5.099 -4.042 -9.059 1.00 13.13 O ATOM 298 CB GLU A 18 2.235 -2.392 -9.093 1.00 63.13 C ATOM 299 CG GLU A 18 1.643 -1.227 -8.295 1.00 53.11 C ATOM 300 CD GLU A 18 1.861 0.131 -8.955 1.00 54.14 C ATOM 301 OE1 GLU A 18 1.231 0.407 -9.998 1.00 32.42 O ATOM 302 OE2 GLU A 18 2.681 0.923 -8.439 1.00 25.25 O ATOM 0 H GLU A 18 2.794 -0.936 -11.008 1.00 42.52 H new ATOM 0 HA GLU A 18 4.240 -1.701 -8.727 1.00 41.44 H new ATOM 0 HB2 GLU A 18 1.614 -2.572 -9.971 1.00 63.13 H new ATOM 0 HB3 GLU A 18 2.195 -3.295 -8.484 1.00 63.13 H new ATOM 0 HG2 GLU A 18 0.573 -1.392 -8.164 1.00 53.11 H new ATOM 0 HG3 GLU A 18 2.087 -1.215 -7.300 1.00 53.11 H new ATOM 309 N TYR A 19 4.160 -3.983 -11.099 1.00 61.21 N ATOM 310 CA TYR A 19 4.811 -5.214 -11.577 1.00 75.53 C ATOM 311 C TYR A 19 6.345 -5.078 -11.538 1.00 21.30 C ATOM 312 O TYR A 19 7.065 -5.982 -11.080 1.00 30.42 O ATOM 313 CB TYR A 19 4.311 -5.549 -12.992 1.00 72.42 C ATOM 314 CG TYR A 19 2.846 -5.966 -13.023 1.00 4.30 C ATOM 315 CD1 TYR A 19 1.847 -5.122 -12.541 1.00 34.14 C ATOM 316 CD2 TYR A 19 2.464 -7.213 -13.508 1.00 20.21 C ATOM 317 CE1 TYR A 19 0.518 -5.506 -12.547 1.00 1.13 C ATOM 318 CE2 TYR A 19 1.140 -7.603 -13.514 1.00 52.03 C ATOM 319 CZ TYR A 19 0.171 -6.748 -13.033 1.00 34.10 C ATOM 320 OH TYR A 19 -1.146 -7.144 -13.026 1.00 0.15 O ATOM 0 H TYR A 19 3.539 -3.549 -11.782 1.00 61.21 H new ATOM 0 HA TYR A 19 4.545 -6.037 -10.913 1.00 75.53 H new ATOM 0 HB2 TYR A 19 4.449 -4.680 -13.635 1.00 72.42 H new ATOM 0 HB3 TYR A 19 4.920 -6.352 -13.406 1.00 72.42 H new ATOM 0 HD1 TYR A 19 2.116 -4.150 -12.155 1.00 34.14 H new ATOM 0 HD2 TYR A 19 3.217 -7.888 -13.887 1.00 20.21 H new ATOM 0 HE1 TYR A 19 -0.243 -4.837 -12.173 1.00 1.13 H new ATOM 0 HE2 TYR A 19 0.864 -8.575 -13.894 1.00 52.03 H new ATOM 0 HH TYR A 19 -1.719 -6.379 -13.244 1.00 0.15 H new ATOM 330 N MET A 20 6.829 -3.923 -11.987 1.00 44.25 N ATOM 331 CA MET A 20 8.246 -3.573 -11.880 1.00 62.34 C ATOM 332 C MET A 20 8.727 -3.671 -10.421 1.00 51.14 C ATOM 333 O MET A 20 9.851 -4.092 -10.155 1.00 14.23 O ATOM 334 CB MET A 20 8.463 -2.151 -12.423 1.00 54.43 C ATOM 335 CG MET A 20 9.903 -1.660 -12.351 1.00 2.22 C ATOM 336 SD MET A 20 10.119 -0.040 -13.114 1.00 70.02 S ATOM 337 CE MET A 20 9.559 -0.379 -14.783 1.00 22.44 C ATOM 0 H MET A 20 6.256 -3.206 -12.433 1.00 44.25 H new ATOM 0 HA MET A 20 8.830 -4.278 -12.471 1.00 62.34 H new ATOM 0 HB2 MET A 20 8.133 -2.118 -13.461 1.00 54.43 H new ATOM 0 HB3 MET A 20 7.829 -1.462 -11.865 1.00 54.43 H new ATOM 0 HG2 MET A 20 10.215 -1.611 -11.308 1.00 2.22 H new ATOM 0 HG3 MET A 20 10.554 -2.381 -12.845 1.00 2.22 H new ATOM 0 HE1 MET A 20 9.948 0.382 -15.459 1.00 22.44 H new ATOM 0 HE2 MET A 20 9.918 -1.359 -15.095 1.00 22.44 H new ATOM 0 HE3 MET A 20 8.469 -0.366 -14.811 1.00 22.44 H new ATOM 347 N SER A 21 7.857 -3.286 -9.485 1.00 14.21 N ATOM 348 CA SER A 21 8.166 -3.375 -8.046 1.00 20.22 C ATOM 349 C SER A 21 7.827 -4.761 -7.465 1.00 53.43 C ATOM 350 O SER A 21 8.177 -5.059 -6.324 1.00 50.23 O ATOM 351 CB SER A 21 7.407 -2.294 -7.261 1.00 61.13 C ATOM 352 OG SER A 21 7.729 -2.339 -5.877 1.00 63.53 O ATOM 0 H SER A 21 6.932 -2.909 -9.692 1.00 14.21 H new ATOM 0 HA SER A 21 9.240 -3.217 -7.944 1.00 20.22 H new ATOM 0 HB2 SER A 21 7.652 -1.311 -7.662 1.00 61.13 H new ATOM 0 HB3 SER A 21 6.334 -2.433 -7.392 1.00 61.13 H new ATOM 0 HG SER A 21 7.923 -3.264 -5.616 1.00 63.53 H new ATOM 358 N GLN A 22 7.115 -5.588 -8.235 1.00 40.25 N ATOM 359 CA GLN A 22 6.817 -6.970 -7.824 1.00 34.31 C ATOM 360 C GLN A 22 8.092 -7.818 -7.802 1.00 10.54 C ATOM 361 O GLN A 22 8.308 -8.609 -6.885 1.00 4.22 O ATOM 362 CB GLN A 22 5.795 -7.616 -8.775 1.00 3.53 C ATOM 363 CG GLN A 22 4.395 -7.012 -8.711 1.00 43.12 C ATOM 364 CD GLN A 22 3.580 -7.473 -7.515 1.00 65.14 C ATOM 365 OE1 GLN A 22 2.745 -6.743 -7.002 1.00 64.01 O ATOM 366 NE2 GLN A 22 3.798 -8.696 -7.082 1.00 33.12 N ATOM 0 H GLN A 22 6.733 -5.329 -9.145 1.00 40.25 H new ATOM 0 HA GLN A 22 6.395 -6.930 -6.820 1.00 34.31 H new ATOM 0 HB2 GLN A 22 6.166 -7.532 -9.797 1.00 3.53 H new ATOM 0 HB3 GLN A 22 5.728 -8.680 -8.546 1.00 3.53 H new ATOM 0 HG2 GLN A 22 4.480 -5.926 -8.684 1.00 43.12 H new ATOM 0 HG3 GLN A 22 3.858 -7.267 -9.624 1.00 43.12 H new ATOM 0 HE21 GLN A 22 4.503 -9.279 -7.533 1.00 33.12 H new ATOM 0 HE22 GLN A 22 3.262 -9.061 -6.295 1.00 33.12 H new ATOM 375 N VAL A 23 8.924 -7.664 -8.830 1.00 73.31 N ATOM 376 CA VAL A 23 10.203 -8.396 -8.883 1.00 62.44 C ATOM 377 C VAL A 23 11.368 -7.572 -8.303 1.00 40.52 C ATOM 378 O VAL A 23 11.435 -6.353 -8.474 1.00 34.53 O ATOM 379 CB VAL A 23 10.564 -8.830 -10.326 1.00 31.13 C ATOM 380 CG1 VAL A 23 10.829 -7.616 -11.217 1.00 12.00 C ATOM 381 CG2 VAL A 23 11.763 -9.785 -10.323 1.00 51.11 C ATOM 0 H VAL A 23 8.747 -7.053 -9.627 1.00 73.31 H new ATOM 0 HA VAL A 23 10.059 -9.285 -8.269 1.00 62.44 H new ATOM 0 HB VAL A 23 9.709 -9.364 -10.741 1.00 31.13 H new ATOM 0 HG11 VAL A 23 11.080 -7.951 -12.223 1.00 12.00 H new ATOM 0 HG12 VAL A 23 9.937 -6.991 -11.255 1.00 12.00 H new ATOM 0 HG13 VAL A 23 11.659 -7.040 -10.809 1.00 12.00 H new ATOM 0 HG21 VAL A 23 11.999 -10.077 -11.347 1.00 51.11 H new ATOM 0 HG22 VAL A 23 12.625 -9.286 -9.880 1.00 51.11 H new ATOM 0 HG23 VAL A 23 11.519 -10.673 -9.740 1.00 51.11 H new ATOM 391 N TYR A 24 12.287 -8.252 -7.618 1.00 11.54 N ATOM 392 CA TYR A 24 13.494 -7.606 -7.089 1.00 0.13 C ATOM 393 C TYR A 24 14.619 -7.547 -8.140 1.00 0.35 C ATOM 394 O TYR A 24 15.445 -6.633 -8.124 1.00 22.14 O ATOM 395 CB TYR A 24 13.987 -8.350 -5.842 1.00 32.04 C ATOM 396 CG TYR A 24 15.307 -7.828 -5.298 1.00 14.25 C ATOM 397 CD1 TYR A 24 15.357 -6.671 -4.527 1.00 31.01 C ATOM 398 CD2 TYR A 24 16.503 -8.493 -5.564 1.00 43.11 C ATOM 399 CE1 TYR A 24 16.559 -6.193 -4.037 1.00 55.54 C ATOM 400 CE2 TYR A 24 17.706 -8.020 -5.076 1.00 71.33 C ATOM 401 CZ TYR A 24 17.729 -6.870 -4.315 1.00 75.43 C ATOM 402 OH TYR A 24 18.926 -6.398 -3.823 1.00 4.44 O ATOM 0 H TYR A 24 12.221 -9.249 -7.415 1.00 11.54 H new ATOM 0 HA TYR A 24 13.229 -6.582 -6.824 1.00 0.13 H new ATOM 0 HB2 TYR A 24 13.229 -8.276 -5.063 1.00 32.04 H new ATOM 0 HB3 TYR A 24 14.096 -9.408 -6.081 1.00 32.04 H new ATOM 0 HD1 TYR A 24 14.444 -6.138 -4.308 1.00 31.01 H new ATOM 0 HD2 TYR A 24 16.489 -9.393 -6.161 1.00 43.11 H new ATOM 0 HE1 TYR A 24 16.582 -5.294 -3.439 1.00 55.54 H new ATOM 0 HE2 TYR A 24 18.624 -8.548 -5.289 1.00 71.33 H new ATOM 0 HH TYR A 24 19.653 -6.990 -4.108 1.00 4.44 H new ATOM 412 N GLY A 25 14.651 -8.531 -9.039 1.00 33.01 N ATOM 413 CA GLY A 25 15.703 -8.595 -10.054 1.00 30.22 C ATOM 414 C GLY A 25 15.505 -7.598 -11.191 1.00 34.14 C ATOM 415 O GLY A 25 14.943 -6.523 -10.990 1.00 1.32 O ATOM 0 H GLY A 25 13.968 -9.287 -9.086 1.00 33.01 H new ATOM 0 HA2 GLY A 25 16.667 -8.409 -9.581 1.00 30.22 H new ATOM 0 HA3 GLY A 25 15.740 -9.603 -10.466 1.00 30.22 H new ATOM 419 N ASP A 26 15.973 -7.949 -12.391 1.00 21.34 N ATOM 420 CA ASP A 26 15.822 -7.073 -13.557 1.00 10.43 C ATOM 421 C ASP A 26 14.344 -6.964 -13.984 1.00 15.54 C ATOM 422 O ASP A 26 13.780 -7.901 -14.559 1.00 52.41 O ATOM 423 CB ASP A 26 16.688 -7.571 -14.724 1.00 52.04 C ATOM 424 CG ASP A 26 18.176 -7.473 -14.419 1.00 23.30 C ATOM 425 OD1 ASP A 26 18.708 -6.340 -14.391 1.00 40.14 O ATOM 426 OD2 ASP A 26 18.823 -8.522 -14.205 1.00 12.23 O ATOM 0 H ASP A 26 16.456 -8.827 -12.581 1.00 21.34 H new ATOM 0 HA ASP A 26 16.163 -6.077 -13.275 1.00 10.43 H new ATOM 0 HB2 ASP A 26 16.432 -8.607 -14.948 1.00 52.04 H new ATOM 0 HB3 ASP A 26 16.463 -6.987 -15.616 1.00 52.04 H new ATOM 431 N PRO A 27 13.701 -5.801 -13.727 1.00 71.30 N ATOM 432 CA PRO A 27 12.256 -5.603 -13.974 1.00 42.20 C ATOM 433 C PRO A 27 11.856 -5.794 -15.444 1.00 65.31 C ATOM 434 O PRO A 27 10.672 -5.919 -15.764 1.00 22.51 O ATOM 435 CB PRO A 27 12.010 -4.150 -13.532 1.00 60.22 C ATOM 436 CG PRO A 27 13.154 -3.822 -12.632 1.00 43.31 C ATOM 437 CD PRO A 27 14.328 -4.584 -13.176 1.00 31.01 C ATOM 0 HA PRO A 27 11.659 -6.339 -13.435 1.00 42.20 H new ATOM 0 HB2 PRO A 27 11.976 -3.477 -14.389 1.00 60.22 H new ATOM 0 HB3 PRO A 27 11.057 -4.052 -13.012 1.00 60.22 H new ATOM 0 HG2 PRO A 27 13.352 -2.750 -12.625 1.00 43.31 H new ATOM 0 HG3 PRO A 27 12.940 -4.114 -11.604 1.00 43.31 H new ATOM 0 HD2 PRO A 27 14.857 -4.019 -13.943 1.00 31.01 H new ATOM 0 HD3 PRO A 27 15.053 -4.820 -12.397 1.00 31.01 H new ATOM 445 N LEU A 28 12.849 -5.825 -16.328 1.00 40.20 N ATOM 446 CA LEU A 28 12.613 -6.015 -17.763 1.00 52.45 C ATOM 447 C LEU A 28 11.830 -7.309 -18.026 1.00 52.12 C ATOM 448 O LEU A 28 10.901 -7.334 -18.834 1.00 15.04 O ATOM 449 CB LEU A 28 13.944 -6.043 -18.536 1.00 65.34 C ATOM 450 CG LEU A 28 14.773 -4.744 -18.499 1.00 13.31 C ATOM 451 CD1 LEU A 28 13.903 -3.535 -18.834 1.00 42.22 C ATOM 452 CD2 LEU A 28 15.463 -4.561 -17.146 1.00 12.15 C ATOM 0 H LEU A 28 13.832 -5.721 -16.077 1.00 40.20 H new ATOM 0 HA LEU A 28 12.019 -5.172 -18.115 1.00 52.45 H new ATOM 0 HB2 LEU A 28 14.556 -6.853 -18.138 1.00 65.34 H new ATOM 0 HB3 LEU A 28 13.732 -6.286 -19.577 1.00 65.34 H new ATOM 0 HG LEU A 28 15.551 -4.826 -19.258 1.00 13.31 H new ATOM 0 HD11 LEU A 28 14.510 -2.630 -18.802 1.00 42.22 H new ATOM 0 HD12 LEU A 28 13.483 -3.655 -19.833 1.00 42.22 H new ATOM 0 HD13 LEU A 28 13.095 -3.456 -18.107 1.00 42.22 H new ATOM 0 HD21 LEU A 28 16.039 -3.636 -17.154 1.00 12.15 H new ATOM 0 HD22 LEU A 28 14.712 -4.514 -16.358 1.00 12.15 H new ATOM 0 HD23 LEU A 28 16.131 -5.403 -16.961 1.00 12.15 H new ATOM 464 N ALA A 29 12.197 -8.376 -17.318 1.00 44.33 N ATOM 465 CA ALA A 29 11.515 -9.663 -17.462 1.00 51.00 C ATOM 466 C ALA A 29 10.050 -9.576 -17.018 1.00 72.53 C ATOM 467 O ALA A 29 9.151 -10.026 -17.729 1.00 50.41 O ATOM 468 CB ALA A 29 12.245 -10.737 -16.672 1.00 73.04 C ATOM 0 H ALA A 29 12.960 -8.376 -16.641 1.00 44.33 H new ATOM 0 HA ALA A 29 11.526 -9.930 -18.519 1.00 51.00 H new ATOM 0 HB1 ALA A 29 11.727 -11.689 -16.788 1.00 73.04 H new ATOM 0 HB2 ALA A 29 13.265 -10.831 -17.043 1.00 73.04 H new ATOM 0 HB3 ALA A 29 12.267 -10.462 -15.618 1.00 73.04 H new ATOM 474 N TYR A 30 9.811 -8.974 -15.850 1.00 2.42 N ATOM 475 CA TYR A 30 8.450 -8.865 -15.314 1.00 73.20 C ATOM 476 C TYR A 30 7.577 -7.969 -16.211 1.00 60.53 C ATOM 477 O TYR A 30 6.376 -8.195 -16.356 1.00 33.31 O ATOM 478 CB TYR A 30 8.461 -8.340 -13.867 1.00 1.21 C ATOM 479 CG TYR A 30 7.364 -8.949 -13.008 1.00 74.02 C ATOM 480 CD1 TYR A 30 6.025 -8.657 -13.240 1.00 15.42 C ATOM 481 CD2 TYR A 30 7.667 -9.841 -11.982 1.00 74.54 C ATOM 482 CE1 TYR A 30 5.026 -9.234 -12.483 1.00 31.41 C ATOM 483 CE2 TYR A 30 6.671 -10.416 -11.216 1.00 45.44 C ATOM 484 CZ TYR A 30 5.353 -10.111 -11.474 1.00 21.14 C ATOM 485 OH TYR A 30 4.354 -10.692 -10.727 1.00 10.03 O ATOM 0 H TYR A 30 10.533 -8.558 -15.262 1.00 2.42 H new ATOM 0 HA TYR A 30 8.017 -9.865 -15.304 1.00 73.20 H new ATOM 0 HB2 TYR A 30 9.430 -8.554 -13.416 1.00 1.21 H new ATOM 0 HB3 TYR A 30 8.347 -7.256 -13.878 1.00 1.21 H new ATOM 0 HD1 TYR A 30 5.762 -7.966 -14.027 1.00 15.42 H new ATOM 0 HD2 TYR A 30 8.699 -10.088 -11.782 1.00 74.54 H new ATOM 0 HE1 TYR A 30 3.991 -8.998 -12.682 1.00 31.41 H new ATOM 0 HE2 TYR A 30 6.925 -11.100 -10.420 1.00 45.44 H new ATOM 0 HH TYR A 30 4.296 -11.646 -10.943 1.00 10.03 H new ATOM 495 N LEU A 31 8.188 -6.957 -16.821 1.00 53.45 N ATOM 496 CA LEU A 31 7.491 -6.125 -17.810 1.00 53.33 C ATOM 497 C LEU A 31 7.006 -6.989 -18.986 1.00 72.24 C ATOM 498 O LEU A 31 5.846 -6.907 -19.417 1.00 31.23 O ATOM 499 CB LEU A 31 8.425 -5.015 -18.320 1.00 71.05 C ATOM 500 CG LEU A 31 7.832 -4.092 -19.399 1.00 32.34 C ATOM 501 CD1 LEU A 31 6.639 -3.307 -18.854 1.00 60.50 C ATOM 502 CD2 LEU A 31 8.902 -3.148 -19.947 1.00 74.40 C ATOM 0 H LEU A 31 9.158 -6.691 -16.653 1.00 53.45 H new ATOM 0 HA LEU A 31 6.625 -5.666 -17.333 1.00 53.33 H new ATOM 0 HB2 LEU A 31 8.730 -4.403 -17.471 1.00 71.05 H new ATOM 0 HB3 LEU A 31 9.327 -5.479 -18.719 1.00 71.05 H new ATOM 0 HG LEU A 31 7.474 -4.715 -20.219 1.00 32.34 H new ATOM 0 HD11 LEU A 31 6.239 -2.663 -19.637 1.00 60.50 H new ATOM 0 HD12 LEU A 31 5.866 -4.002 -18.526 1.00 60.50 H new ATOM 0 HD13 LEU A 31 6.960 -2.696 -18.010 1.00 60.50 H new ATOM 0 HD21 LEU A 31 8.463 -2.504 -20.709 1.00 74.40 H new ATOM 0 HD22 LEU A 31 9.296 -2.535 -19.136 1.00 74.40 H new ATOM 0 HD23 LEU A 31 9.711 -3.731 -20.387 1.00 74.40 H new ATOM 514 N GLN A 32 7.897 -7.842 -19.481 1.00 21.11 N ATOM 515 CA GLN A 32 7.579 -8.727 -20.598 1.00 41.31 C ATOM 516 C GLN A 32 6.574 -9.821 -20.196 1.00 3.12 C ATOM 517 O GLN A 32 5.751 -10.226 -21.008 1.00 24.12 O ATOM 518 CB GLN A 32 8.857 -9.356 -21.160 1.00 41.32 C ATOM 519 CG GLN A 32 9.862 -8.344 -21.699 1.00 52.53 C ATOM 520 CD GLN A 32 9.301 -7.484 -22.821 1.00 72.22 C ATOM 521 OE1 GLN A 32 8.744 -6.416 -22.587 1.00 21.14 O ATOM 522 NE2 GLN A 32 9.438 -7.941 -24.049 1.00 10.31 N ATOM 0 H GLN A 32 8.848 -7.940 -19.125 1.00 21.11 H new ATOM 0 HA GLN A 32 7.110 -8.121 -21.373 1.00 41.31 H new ATOM 0 HB2 GLN A 32 9.334 -9.945 -20.377 1.00 41.32 H new ATOM 0 HB3 GLN A 32 8.588 -10.047 -21.959 1.00 41.32 H new ATOM 0 HG2 GLN A 32 10.191 -7.699 -20.884 1.00 52.53 H new ATOM 0 HG3 GLN A 32 10.743 -8.874 -22.061 1.00 52.53 H new ATOM 0 HE21 GLN A 32 9.906 -8.833 -24.212 1.00 10.31 H new ATOM 0 HE22 GLN A 32 9.076 -7.403 -24.837 1.00 10.31 H new ATOM 531 N GLU A 33 6.626 -10.298 -18.949 1.00 71.11 N ATOM 532 CA GLU A 33 5.634 -11.282 -18.480 1.00 23.32 C ATOM 533 C GLU A 33 4.274 -10.600 -18.244 1.00 23.33 C ATOM 534 O GLU A 33 3.229 -11.241 -18.311 1.00 12.43 O ATOM 535 CB GLU A 33 6.089 -12.003 -17.199 1.00 15.21 C ATOM 536 CG GLU A 33 5.909 -11.190 -15.925 1.00 43.35 C ATOM 537 CD GLU A 33 6.308 -11.954 -14.672 1.00 42.33 C ATOM 538 OE1 GLU A 33 7.523 -12.129 -14.446 1.00 44.12 O ATOM 539 OE2 GLU A 33 5.404 -12.358 -13.904 1.00 52.41 O ATOM 0 H GLU A 33 7.325 -10.030 -18.257 1.00 71.11 H new ATOM 0 HA GLU A 33 5.534 -12.034 -19.262 1.00 23.32 H new ATOM 0 HB2 GLU A 33 5.532 -12.935 -17.103 1.00 15.21 H new ATOM 0 HB3 GLU A 33 7.141 -12.270 -17.300 1.00 15.21 H new ATOM 0 HG2 GLU A 33 6.505 -10.280 -15.994 1.00 43.35 H new ATOM 0 HG3 GLU A 33 4.867 -10.883 -15.840 1.00 43.35 H new ATOM 546 N THR A 34 4.301 -9.293 -17.970 1.00 24.44 N ATOM 547 CA THR A 34 3.068 -8.493 -17.874 1.00 61.30 C ATOM 548 C THR A 34 2.332 -8.475 -19.219 1.00 40.03 C ATOM 549 O THR A 34 1.108 -8.595 -19.276 1.00 64.14 O ATOM 550 CB THR A 34 3.358 -7.028 -17.438 1.00 1.11 C ATOM 551 OG1 THR A 34 3.965 -7.000 -16.138 1.00 41.51 O ATOM 552 CG2 THR A 34 2.083 -6.186 -17.415 1.00 21.44 C ATOM 0 H THR A 34 5.158 -8.764 -17.810 1.00 24.44 H new ATOM 0 HA THR A 34 2.444 -8.964 -17.114 1.00 61.30 H new ATOM 0 HB THR A 34 4.043 -6.603 -18.172 1.00 1.11 H new ATOM 0 HG1 THR A 34 3.269 -6.907 -15.454 1.00 41.51 H new ATOM 0 HG21 THR A 34 2.324 -5.169 -17.106 1.00 21.44 H new ATOM 0 HG22 THR A 34 1.641 -6.167 -18.411 1.00 21.44 H new ATOM 0 HG23 THR A 34 1.373 -6.620 -16.711 1.00 21.44 H new ATOM 560 N THR A 35 3.094 -8.322 -20.303 1.00 53.42 N ATOM 561 CA THR A 35 2.526 -8.349 -21.662 1.00 52.23 C ATOM 562 C THR A 35 2.217 -9.787 -22.125 1.00 62.10 C ATOM 563 O THR A 35 1.141 -10.060 -22.656 1.00 14.02 O ATOM 564 CB THR A 35 3.471 -7.681 -22.694 1.00 54.31 C ATOM 565 OG1 THR A 35 4.712 -8.401 -22.780 1.00 3.33 O ATOM 566 CG2 THR A 35 3.751 -6.228 -22.321 1.00 72.12 C ATOM 0 H THR A 35 4.103 -8.178 -20.272 1.00 53.42 H new ATOM 0 HA THR A 35 1.596 -7.783 -21.611 1.00 52.23 H new ATOM 0 HB THR A 35 2.972 -7.704 -23.663 1.00 54.31 H new ATOM 0 HG1 THR A 35 4.879 -8.868 -21.935 1.00 3.33 H new ATOM 0 HG21 THR A 35 4.416 -5.784 -23.062 1.00 72.12 H new ATOM 0 HG22 THR A 35 2.814 -5.672 -22.295 1.00 72.12 H new ATOM 0 HG23 THR A 35 4.223 -6.189 -21.339 1.00 72.12 H new ATOM 574 N LYS A 36 3.168 -10.701 -21.922 1.00 44.24 N ATOM 575 CA LYS A 36 3.000 -12.116 -22.302 1.00 13.40 C ATOM 576 C LYS A 36 1.890 -12.814 -21.500 1.00 21.21 C ATOM 577 O LYS A 36 1.038 -13.492 -22.072 1.00 63.01 O ATOM 578 CB LYS A 36 4.315 -12.884 -22.103 1.00 24.10 C ATOM 579 CG LYS A 36 5.421 -12.508 -23.082 1.00 34.02 C ATOM 580 CD LYS A 36 5.020 -12.790 -24.525 1.00 43.24 C ATOM 581 CE LYS A 36 6.203 -12.649 -25.473 1.00 14.32 C ATOM 582 NZ LYS A 36 7.285 -13.617 -25.152 1.00 0.11 N ATOM 0 H LYS A 36 4.070 -10.490 -21.494 1.00 44.24 H new ATOM 0 HA LYS A 36 2.713 -12.122 -23.354 1.00 13.40 H new ATOM 0 HB2 LYS A 36 4.672 -12.711 -21.088 1.00 24.10 H new ATOM 0 HB3 LYS A 36 4.115 -13.952 -22.193 1.00 24.10 H new ATOM 0 HG2 LYS A 36 5.660 -11.450 -22.971 1.00 34.02 H new ATOM 0 HG3 LYS A 36 6.325 -13.066 -22.840 1.00 34.02 H new ATOM 0 HD2 LYS A 36 4.611 -13.798 -24.599 1.00 43.24 H new ATOM 0 HD3 LYS A 36 4.229 -12.102 -24.824 1.00 43.24 H new ATOM 0 HE2 LYS A 36 5.868 -12.805 -26.498 1.00 14.32 H new ATOM 0 HE3 LYS A 36 6.595 -11.634 -25.417 1.00 14.32 H new ATOM 0 HZ1 LYS A 36 7.861 -13.788 -26.001 1.00 0.11 H new ATOM 0 HZ2 LYS A 36 7.886 -13.228 -24.398 1.00 0.11 H new ATOM 0 HZ3 LYS A 36 6.865 -14.513 -24.833 1.00 0.11 H new ATOM 596 N PHE A 37 1.942 -12.672 -20.172 1.00 35.53 N ATOM 597 CA PHE A 37 0.977 -13.310 -19.257 1.00 21.35 C ATOM 598 C PHE A 37 1.150 -14.848 -19.217 1.00 55.54 C ATOM 599 O PHE A 37 0.408 -15.553 -18.528 1.00 31.13 O ATOM 600 CB PHE A 37 -0.466 -12.922 -19.652 1.00 61.42 C ATOM 601 CG PHE A 37 -1.524 -13.326 -18.650 1.00 72.43 C ATOM 602 CD1 PHE A 37 -1.646 -12.652 -17.443 1.00 15.45 C ATOM 603 CD2 PHE A 37 -2.394 -14.377 -18.916 1.00 74.22 C ATOM 604 CE1 PHE A 37 -2.611 -13.017 -16.522 1.00 21.05 C ATOM 605 CE2 PHE A 37 -3.360 -14.745 -17.997 1.00 11.31 C ATOM 606 CZ PHE A 37 -3.468 -14.064 -16.799 1.00 14.32 C ATOM 0 H PHE A 37 2.651 -12.114 -19.697 1.00 35.53 H new ATOM 0 HA PHE A 37 1.176 -12.943 -18.250 1.00 21.35 H new ATOM 0 HB2 PHE A 37 -0.512 -11.842 -19.793 1.00 61.42 H new ATOM 0 HB3 PHE A 37 -0.701 -13.380 -20.613 1.00 61.42 H new ATOM 0 HD1 PHE A 37 -0.979 -11.832 -17.220 1.00 15.45 H new ATOM 0 HD2 PHE A 37 -2.315 -14.912 -19.851 1.00 74.22 H new ATOM 0 HE1 PHE A 37 -2.694 -12.484 -15.587 1.00 21.05 H new ATOM 0 HE2 PHE A 37 -4.029 -15.564 -18.215 1.00 11.31 H new ATOM 0 HZ PHE A 37 -4.222 -14.350 -16.080 1.00 14.32 H new ATOM 616 N VAL A 38 2.162 -15.369 -19.923 1.00 53.23 N ATOM 617 CA VAL A 38 2.355 -16.823 -20.033 1.00 15.15 C ATOM 618 C VAL A 38 3.809 -17.256 -19.741 1.00 41.41 C ATOM 619 O VAL A 38 4.169 -17.457 -18.583 1.00 42.35 O ATOM 620 CB VAL A 38 1.914 -17.368 -21.419 1.00 44.44 C ATOM 621 CG1 VAL A 38 1.995 -18.895 -21.452 1.00 21.23 C ATOM 622 CG2 VAL A 38 0.503 -16.900 -21.765 1.00 72.24 C ATOM 0 H VAL A 38 2.855 -14.812 -20.423 1.00 53.23 H new ATOM 0 HA VAL A 38 1.714 -17.259 -19.267 1.00 15.15 H new ATOM 0 HB VAL A 38 2.598 -16.971 -22.169 1.00 44.44 H new ATOM 0 HG11 VAL A 38 1.682 -19.255 -22.432 1.00 21.23 H new ATOM 0 HG12 VAL A 38 3.021 -19.209 -21.261 1.00 21.23 H new ATOM 0 HG13 VAL A 38 1.340 -19.311 -20.686 1.00 21.23 H new ATOM 0 HG21 VAL A 38 0.218 -17.295 -22.740 1.00 72.24 H new ATOM 0 HG22 VAL A 38 -0.195 -17.260 -21.009 1.00 72.24 H new ATOM 0 HG23 VAL A 38 0.478 -15.811 -21.793 1.00 72.24 H new ATOM 632 N THR A 39 4.648 -17.397 -20.778 1.00 63.14 N ATOM 633 CA THR A 39 6.019 -17.918 -20.588 1.00 42.45 C ATOM 634 C THR A 39 6.964 -17.555 -21.744 1.00 41.24 C ATOM 635 O THR A 39 6.529 -17.072 -22.791 1.00 51.34 O ATOM 636 CB THR A 39 6.035 -19.462 -20.423 1.00 4.45 C ATOM 637 OG1 THR A 39 7.380 -19.927 -20.211 1.00 22.23 O ATOM 638 CG2 THR A 39 5.450 -20.161 -21.648 1.00 64.25 C ATOM 0 H THR A 39 4.412 -17.164 -21.742 1.00 63.14 H new ATOM 0 HA THR A 39 6.375 -17.440 -19.675 1.00 42.45 H new ATOM 0 HB THR A 39 5.419 -19.705 -19.557 1.00 4.45 H new ATOM 0 HG1 THR A 39 7.709 -19.594 -19.350 1.00 22.23 H new ATOM 0 HG21 THR A 39 5.477 -21.240 -21.498 1.00 64.25 H new ATOM 0 HG22 THR A 39 4.418 -19.840 -21.792 1.00 64.25 H new ATOM 0 HG23 THR A 39 6.037 -19.902 -22.529 1.00 64.25 H new ATOM 646 N GLU A 40 8.261 -17.813 -21.523 1.00 11.44 N ATOM 647 CA GLU A 40 9.332 -17.577 -22.510 1.00 34.30 C ATOM 648 C GLU A 40 10.710 -17.752 -21.843 1.00 5.11 C ATOM 649 O GLU A 40 10.908 -17.336 -20.698 1.00 0.13 O ATOM 650 CB GLU A 40 9.225 -16.168 -23.120 1.00 73.24 C ATOM 651 CG GLU A 40 10.350 -15.800 -24.084 1.00 4.41 C ATOM 652 CD GLU A 40 10.421 -16.713 -25.296 1.00 40.20 C ATOM 653 OE1 GLU A 40 9.613 -16.532 -26.232 1.00 33.22 O ATOM 654 OE2 GLU A 40 11.288 -17.612 -25.319 1.00 41.40 O ATOM 0 H GLU A 40 8.603 -18.197 -20.642 1.00 11.44 H new ATOM 0 HA GLU A 40 9.220 -18.307 -23.312 1.00 34.30 H new ATOM 0 HB2 GLU A 40 8.274 -16.087 -23.646 1.00 73.24 H new ATOM 0 HB3 GLU A 40 9.205 -15.438 -22.311 1.00 73.24 H new ATOM 0 HG2 GLU A 40 10.211 -14.772 -24.419 1.00 4.41 H new ATOM 0 HG3 GLU A 40 11.301 -15.837 -23.553 1.00 4.41 H new ATOM 661 N ARG A 41 11.666 -18.345 -22.563 1.00 52.41 N ATOM 662 CA ARG A 41 12.999 -18.622 -22.002 1.00 73.30 C ATOM 663 C ARG A 41 13.674 -17.352 -21.463 1.00 3.51 C ATOM 664 O ARG A 41 14.350 -17.391 -20.438 1.00 52.00 O ATOM 665 CB ARG A 41 13.911 -19.280 -23.047 1.00 44.24 C ATOM 666 CG ARG A 41 13.470 -20.674 -23.478 1.00 12.13 C ATOM 667 CD ARG A 41 14.505 -21.325 -24.391 1.00 15.31 C ATOM 668 NE ARG A 41 15.825 -21.403 -23.754 1.00 21.43 N ATOM 669 CZ ARG A 41 16.939 -21.646 -24.392 1.00 24.02 C ATOM 670 NH1 ARG A 41 16.945 -21.844 -25.669 1.00 61.30 N ATOM 671 NH2 ARG A 41 18.055 -21.690 -23.743 1.00 21.12 N ATOM 0 H ARG A 41 11.547 -18.643 -23.531 1.00 52.41 H new ATOM 0 HA ARG A 41 12.849 -19.309 -21.169 1.00 73.30 H new ATOM 0 HB2 ARG A 41 13.957 -18.638 -23.927 1.00 44.24 H new ATOM 0 HB3 ARG A 41 14.922 -19.340 -22.643 1.00 44.24 H new ATOM 0 HG2 ARG A 41 13.315 -21.297 -22.597 1.00 12.13 H new ATOM 0 HG3 ARG A 41 12.513 -20.611 -23.996 1.00 12.13 H new ATOM 0 HD2 ARG A 41 14.172 -22.327 -24.660 1.00 15.31 H new ATOM 0 HD3 ARG A 41 14.582 -20.755 -25.317 1.00 15.31 H new ATOM 0 HE ARG A 41 15.876 -21.258 -22.746 1.00 21.43 H new ATOM 0 HH11 ARG A 41 16.071 -21.812 -26.194 1.00 61.30 H new ATOM 0 HH12 ARG A 41 17.824 -22.032 -26.152 1.00 61.30 H new ATOM 0 HH21 ARG A 41 18.065 -21.535 -22.735 1.00 21.12 H new ATOM 0 HH22 ARG A 41 18.926 -21.880 -24.239 1.00 21.12 H new ATOM 685 N GLU A 42 13.471 -16.230 -22.152 1.00 35.00 N ATOM 686 CA GLU A 42 14.072 -14.943 -21.760 1.00 11.45 C ATOM 687 C GLU A 42 13.896 -14.651 -20.258 1.00 2.04 C ATOM 688 O GLU A 42 14.808 -14.156 -19.601 1.00 52.15 O ATOM 689 CB GLU A 42 13.441 -13.803 -22.571 1.00 32.13 C ATOM 690 CG GLU A 42 13.446 -14.028 -24.079 1.00 43.44 C ATOM 691 CD GLU A 42 12.705 -12.937 -24.838 1.00 4.52 C ATOM 692 OE1 GLU A 42 11.553 -12.629 -24.470 1.00 13.45 O ATOM 693 OE2 GLU A 42 13.259 -12.400 -25.821 1.00 11.33 O ATOM 0 H GLU A 42 12.892 -16.180 -22.990 1.00 35.00 H new ATOM 0 HA GLU A 42 15.140 -15.010 -21.967 1.00 11.45 H new ATOM 0 HB2 GLU A 42 12.412 -13.664 -22.240 1.00 32.13 H new ATOM 0 HB3 GLU A 42 13.975 -12.878 -22.352 1.00 32.13 H new ATOM 0 HG2 GLU A 42 14.476 -14.075 -24.432 1.00 43.44 H new ATOM 0 HG3 GLU A 42 12.989 -14.993 -24.300 1.00 43.44 H new ATOM 700 N TYR A 43 12.713 -14.968 -19.723 1.00 51.11 N ATOM 701 CA TYR A 43 12.393 -14.687 -18.312 1.00 74.24 C ATOM 702 C TYR A 43 12.607 -15.937 -17.443 1.00 2.22 C ATOM 703 O TYR A 43 12.947 -15.841 -16.265 1.00 23.42 O ATOM 704 CB TYR A 43 10.935 -14.190 -18.174 1.00 45.34 C ATOM 705 CG TYR A 43 10.343 -13.640 -19.461 1.00 2.45 C ATOM 706 CD1 TYR A 43 11.016 -12.679 -20.206 1.00 64.10 C ATOM 707 CD2 TYR A 43 9.127 -14.108 -19.946 1.00 31.23 C ATOM 708 CE1 TYR A 43 10.496 -12.202 -21.392 1.00 21.35 C ATOM 709 CE2 TYR A 43 8.603 -13.638 -21.135 1.00 54.03 C ATOM 710 CZ TYR A 43 9.292 -12.687 -21.855 1.00 14.43 C ATOM 711 OH TYR A 43 8.786 -12.228 -23.053 1.00 73.22 O ATOM 0 H TYR A 43 11.959 -15.419 -20.241 1.00 51.11 H new ATOM 0 HA TYR A 43 13.066 -13.904 -17.964 1.00 74.24 H new ATOM 0 HB2 TYR A 43 10.313 -15.014 -17.824 1.00 45.34 H new ATOM 0 HB3 TYR A 43 10.898 -13.415 -17.409 1.00 45.34 H new ATOM 0 HD1 TYR A 43 11.962 -12.299 -19.851 1.00 64.10 H new ATOM 0 HD2 TYR A 43 8.582 -14.852 -19.384 1.00 31.23 H new ATOM 0 HE1 TYR A 43 11.031 -11.451 -21.955 1.00 21.35 H new ATOM 0 HE2 TYR A 43 7.658 -14.014 -21.498 1.00 54.03 H new ATOM 0 HH TYR A 43 9.491 -12.244 -23.734 1.00 73.22 H new ATOM 721 N TYR A 44 12.412 -17.109 -18.047 1.00 62.13 N ATOM 722 CA TYR A 44 12.557 -18.394 -17.347 1.00 44.34 C ATOM 723 C TYR A 44 14.016 -18.879 -17.302 1.00 10.31 C ATOM 724 O TYR A 44 14.311 -19.916 -16.707 1.00 64.22 O ATOM 725 CB TYR A 44 11.688 -19.461 -18.031 1.00 63.23 C ATOM 726 CG TYR A 44 10.209 -19.378 -17.690 1.00 14.54 C ATOM 727 CD1 TYR A 44 9.466 -18.233 -17.959 1.00 43.11 C ATOM 728 CD2 TYR A 44 9.558 -20.455 -17.101 1.00 42.42 C ATOM 729 CE1 TYR A 44 8.119 -18.170 -17.648 1.00 60.22 C ATOM 730 CE2 TYR A 44 8.216 -20.397 -16.789 1.00 23.55 C ATOM 731 CZ TYR A 44 7.501 -19.256 -17.063 1.00 41.12 C ATOM 732 OH TYR A 44 6.163 -19.204 -16.749 1.00 5.33 O ATOM 0 H TYR A 44 12.151 -17.199 -19.029 1.00 62.13 H new ATOM 0 HA TYR A 44 12.229 -18.238 -16.319 1.00 44.34 H new ATOM 0 HB2 TYR A 44 11.805 -19.370 -19.111 1.00 63.23 H new ATOM 0 HB3 TYR A 44 12.058 -20.448 -17.752 1.00 63.23 H new ATOM 0 HD1 TYR A 44 9.947 -17.381 -18.417 1.00 43.11 H new ATOM 0 HD2 TYR A 44 10.114 -21.355 -16.883 1.00 42.42 H new ATOM 0 HE1 TYR A 44 7.554 -17.275 -17.862 1.00 60.22 H new ATOM 0 HE2 TYR A 44 7.729 -21.245 -16.331 1.00 23.55 H new ATOM 0 HH TYR A 44 5.691 -18.662 -17.415 1.00 5.33 H new ATOM 742 N GLU A 45 14.920 -18.146 -17.945 1.00 63.23 N ATOM 743 CA GLU A 45 16.334 -18.541 -17.993 1.00 11.41 C ATOM 744 C GLU A 45 17.274 -17.361 -17.673 1.00 73.43 C ATOM 745 O GLU A 45 18.481 -17.548 -17.497 1.00 65.31 O ATOM 746 CB GLU A 45 16.648 -19.137 -19.376 1.00 64.14 C ATOM 747 CG GLU A 45 18.000 -19.831 -19.466 1.00 43.35 C ATOM 748 CD GLU A 45 18.193 -20.563 -20.783 1.00 52.31 C ATOM 749 OE1 GLU A 45 17.584 -21.641 -20.964 1.00 41.40 O ATOM 750 OE2 GLU A 45 18.952 -20.071 -21.643 1.00 73.24 O ATOM 0 H GLU A 45 14.706 -17.280 -18.439 1.00 63.23 H new ATOM 0 HA GLU A 45 16.508 -19.295 -17.225 1.00 11.41 H new ATOM 0 HB2 GLU A 45 15.868 -19.852 -19.636 1.00 64.14 H new ATOM 0 HB3 GLU A 45 16.611 -18.340 -20.119 1.00 64.14 H new ATOM 0 HG2 GLU A 45 18.792 -19.092 -19.345 1.00 43.35 H new ATOM 0 HG3 GLU A 45 18.096 -20.539 -18.643 1.00 43.35 H new ATOM 757 N ASP A 46 16.717 -16.151 -17.568 1.00 40.05 N ATOM 758 CA ASP A 46 17.515 -14.956 -17.255 1.00 74.52 C ATOM 759 C ASP A 46 16.614 -13.771 -16.832 1.00 72.11 C ATOM 760 O ASP A 46 15.392 -13.842 -16.951 1.00 52.31 O ATOM 761 CB ASP A 46 18.366 -14.565 -18.476 1.00 50.33 C ATOM 762 CG ASP A 46 19.703 -13.945 -18.091 1.00 3.40 C ATOM 763 OD1 ASP A 46 19.718 -12.857 -17.485 1.00 43.33 O ATOM 764 OD2 ASP A 46 20.753 -14.548 -18.397 1.00 41.10 O ATOM 0 H ASP A 46 15.721 -15.971 -17.694 1.00 40.05 H new ATOM 0 HA ASP A 46 18.169 -15.193 -16.416 1.00 74.52 H new ATOM 0 HB2 ASP A 46 18.544 -15.450 -19.087 1.00 50.33 H new ATOM 0 HB3 ASP A 46 17.808 -13.860 -19.091 1.00 50.33 H new ATOM 769 N PHE A 47 17.238 -12.695 -16.330 1.00 1.34 N ATOM 770 CA PHE A 47 16.546 -11.434 -15.977 1.00 13.02 C ATOM 771 C PHE A 47 15.562 -11.570 -14.789 1.00 52.04 C ATOM 772 O PHE A 47 15.750 -10.935 -13.748 1.00 2.05 O ATOM 773 CB PHE A 47 15.823 -10.852 -17.206 1.00 22.12 C ATOM 774 CG PHE A 47 16.754 -10.495 -18.341 1.00 61.35 C ATOM 775 CD1 PHE A 47 17.546 -9.357 -18.273 1.00 4.12 C ATOM 776 CD2 PHE A 47 16.846 -11.302 -19.469 1.00 25.40 C ATOM 777 CE1 PHE A 47 18.407 -9.030 -19.305 1.00 41.03 C ATOM 778 CE2 PHE A 47 17.707 -10.979 -20.502 1.00 70.31 C ATOM 779 CZ PHE A 47 18.488 -9.843 -20.419 1.00 5.15 C ATOM 0 H PHE A 47 18.242 -12.669 -16.154 1.00 1.34 H new ATOM 0 HA PHE A 47 17.326 -10.747 -15.648 1.00 13.02 H new ATOM 0 HB2 PHE A 47 15.090 -11.575 -17.562 1.00 22.12 H new ATOM 0 HB3 PHE A 47 15.272 -9.961 -16.905 1.00 22.12 H new ATOM 0 HD1 PHE A 47 17.489 -8.719 -17.403 1.00 4.12 H new ATOM 0 HD2 PHE A 47 16.238 -12.192 -19.540 1.00 25.40 H new ATOM 0 HE1 PHE A 47 19.015 -8.140 -19.240 1.00 41.03 H new ATOM 0 HE2 PHE A 47 17.769 -11.615 -21.373 1.00 70.31 H new ATOM 0 HZ PHE A 47 19.162 -9.590 -21.224 1.00 5.15 H new ATOM 789 N GLY A 48 14.517 -12.390 -14.950 1.00 4.14 N ATOM 790 CA GLY A 48 13.491 -12.555 -13.912 1.00 44.01 C ATOM 791 C GLY A 48 14.032 -13.024 -12.562 1.00 50.04 C ATOM 792 O GLY A 48 13.321 -12.999 -11.557 1.00 63.33 O ATOM 0 H GLY A 48 14.359 -12.949 -15.788 1.00 4.14 H new ATOM 0 HA2 GLY A 48 12.975 -11.605 -13.773 1.00 44.01 H new ATOM 0 HA3 GLY A 48 12.749 -13.273 -14.262 1.00 44.01 H new ATOM 796 N TYR A 49 15.287 -13.463 -12.541 1.00 53.25 N ATOM 797 CA TYR A 49 15.943 -13.891 -11.303 1.00 24.24 C ATOM 798 C TYR A 49 16.006 -12.748 -10.272 1.00 41.13 C ATOM 799 O TYR A 49 16.909 -11.909 -10.306 1.00 31.15 O ATOM 800 CB TYR A 49 17.351 -14.421 -11.614 1.00 15.23 C ATOM 801 CG TYR A 49 17.350 -15.745 -12.364 1.00 72.43 C ATOM 802 CD1 TYR A 49 16.928 -15.822 -13.686 1.00 2.33 C ATOM 803 CD2 TYR A 49 17.761 -16.922 -11.745 1.00 61.22 C ATOM 804 CE1 TYR A 49 16.915 -17.026 -14.363 1.00 20.30 C ATOM 805 CE2 TYR A 49 17.752 -18.128 -12.418 1.00 42.14 C ATOM 806 CZ TYR A 49 17.327 -18.174 -13.727 1.00 53.41 C ATOM 807 OH TYR A 49 17.310 -19.375 -14.399 1.00 52.31 O ATOM 0 H TYR A 49 15.876 -13.533 -13.371 1.00 53.25 H new ATOM 0 HA TYR A 49 15.350 -14.693 -10.863 1.00 24.24 H new ATOM 0 HB2 TYR A 49 17.888 -13.679 -12.205 1.00 15.23 H new ATOM 0 HB3 TYR A 49 17.899 -14.542 -10.680 1.00 15.23 H new ATOM 0 HD1 TYR A 49 16.605 -14.925 -14.193 1.00 2.33 H new ATOM 0 HD2 TYR A 49 18.094 -16.892 -10.718 1.00 61.22 H new ATOM 0 HE1 TYR A 49 16.582 -17.066 -15.390 1.00 20.30 H new ATOM 0 HE2 TYR A 49 18.076 -19.030 -11.920 1.00 42.14 H new ATOM 0 HH TYR A 49 17.889 -19.317 -15.187 1.00 52.31 H new ATOM 817 N GLY A 50 15.025 -12.719 -9.367 1.00 34.34 N ATOM 818 CA GLY A 50 14.953 -11.668 -8.355 1.00 32.54 C ATOM 819 C GLY A 50 15.525 -12.076 -6.999 1.00 24.35 C ATOM 820 O GLY A 50 16.623 -11.660 -6.631 1.00 70.10 O ATOM 0 H GLY A 50 14.275 -13.408 -9.316 1.00 34.34 H new ATOM 0 HA2 GLY A 50 15.491 -10.791 -8.716 1.00 32.54 H new ATOM 0 HA3 GLY A 50 13.912 -11.372 -8.225 1.00 32.54 H new ATOM 824 N GLU A 51 14.775 -12.884 -6.256 1.00 33.55 N ATOM 825 CA GLU A 51 15.178 -13.323 -4.912 1.00 62.30 C ATOM 826 C GLU A 51 15.014 -14.845 -4.753 1.00 0.05 C ATOM 827 O GLU A 51 15.989 -15.561 -4.519 1.00 11.11 O ATOM 828 CB GLU A 51 14.350 -12.556 -3.865 1.00 71.54 C ATOM 829 CG GLU A 51 14.620 -12.933 -2.406 1.00 14.23 C ATOM 830 CD GLU A 51 13.657 -13.979 -1.863 1.00 42.22 C ATOM 831 OE1 GLU A 51 12.434 -13.808 -2.039 1.00 12.31 O ATOM 832 OE2 GLU A 51 14.118 -14.955 -1.236 1.00 1.23 O ATOM 0 H GLU A 51 13.875 -13.255 -6.561 1.00 33.55 H new ATOM 0 HA GLU A 51 16.235 -13.102 -4.762 1.00 62.30 H new ATOM 0 HB2 GLU A 51 14.540 -11.490 -3.988 1.00 71.54 H new ATOM 0 HB3 GLU A 51 13.293 -12.718 -4.074 1.00 71.54 H new ATOM 0 HG2 GLU A 51 15.640 -13.308 -2.318 1.00 14.23 H new ATOM 0 HG3 GLU A 51 14.556 -12.037 -1.789 1.00 14.23 H new ATOM 839 N CYS A 52 13.783 -15.339 -4.890 1.00 25.22 N ATOM 840 CA CYS A 52 13.523 -16.788 -4.849 1.00 52.23 C ATOM 841 C CYS A 52 14.051 -17.468 -6.120 1.00 14.12 C ATOM 842 O CYS A 52 14.593 -18.579 -6.080 1.00 11.12 O ATOM 843 CB CYS A 52 12.019 -17.073 -4.705 1.00 74.24 C ATOM 844 SG CYS A 52 11.281 -16.473 -3.165 1.00 72.51 S ATOM 0 H CYS A 52 12.951 -14.765 -5.030 1.00 25.22 H new ATOM 0 HA CYS A 52 14.044 -17.193 -3.981 1.00 52.23 H new ATOM 0 HB2 CYS A 52 11.494 -16.618 -5.545 1.00 74.24 H new ATOM 0 HB3 CYS A 52 11.858 -18.149 -4.774 1.00 74.24 H new ATOM 0 HG CYS A 52 11.749 -15.292 -2.891 1.00 72.51 H new ATOM 850 N PHE A 53 13.883 -16.789 -7.249 1.00 20.31 N ATOM 851 CA PHE A 53 14.337 -17.300 -8.544 1.00 22.32 C ATOM 852 C PHE A 53 15.866 -17.155 -8.697 1.00 1.31 C ATOM 853 O PHE A 53 16.522 -17.996 -9.309 1.00 61.44 O ATOM 854 CB PHE A 53 13.604 -16.546 -9.672 1.00 62.33 C ATOM 855 CG PHE A 53 13.596 -17.250 -11.012 1.00 11.11 C ATOM 856 CD1 PHE A 53 13.524 -18.634 -11.093 1.00 44.11 C ATOM 857 CD2 PHE A 53 13.637 -16.523 -12.193 1.00 10.22 C ATOM 858 CE1 PHE A 53 13.497 -19.275 -12.318 1.00 62.15 C ATOM 859 CE2 PHE A 53 13.613 -17.159 -13.420 1.00 21.11 C ATOM 860 CZ PHE A 53 13.542 -18.536 -13.482 1.00 34.15 C ATOM 0 H PHE A 53 13.432 -15.875 -7.297 1.00 20.31 H new ATOM 0 HA PHE A 53 14.103 -18.363 -8.605 1.00 22.32 H new ATOM 0 HB2 PHE A 53 12.573 -16.374 -9.363 1.00 62.33 H new ATOM 0 HB3 PHE A 53 14.068 -15.567 -9.795 1.00 62.33 H new ATOM 0 HD1 PHE A 53 13.489 -19.219 -10.186 1.00 44.11 H new ATOM 0 HD2 PHE A 53 13.688 -15.445 -12.153 1.00 10.22 H new ATOM 0 HE1 PHE A 53 13.441 -20.353 -12.363 1.00 62.15 H new ATOM 0 HE2 PHE A 53 13.650 -16.579 -14.330 1.00 21.11 H new ATOM 0 HZ PHE A 53 13.522 -19.034 -14.440 1.00 34.15 H new ATOM 870 N ASN A 54 16.425 -16.102 -8.095 1.00 71.11 N ATOM 871 CA ASN A 54 17.845 -15.742 -8.269 1.00 44.21 C ATOM 872 C ASN A 54 18.787 -16.620 -7.415 1.00 44.35 C ATOM 873 O ASN A 54 18.351 -17.334 -6.510 1.00 74.31 O ATOM 874 CB ASN A 54 18.031 -14.262 -7.889 1.00 22.24 C ATOM 875 CG ASN A 54 19.290 -13.625 -8.467 1.00 74.34 C ATOM 876 OD1 ASN A 54 20.292 -14.287 -8.713 1.00 45.24 O ATOM 877 ND2 ASN A 54 19.246 -12.328 -8.686 1.00 44.31 N ATOM 0 H ASN A 54 15.913 -15.474 -7.475 1.00 71.11 H new ATOM 0 HA ASN A 54 18.109 -15.912 -9.313 1.00 44.21 H new ATOM 0 HB2 ASN A 54 17.162 -13.699 -8.230 1.00 22.24 H new ATOM 0 HB3 ASN A 54 18.060 -14.178 -6.803 1.00 22.24 H new ATOM 0 HD21 ASN A 54 20.060 -11.848 -9.070 1.00 44.31 H new ATOM 0 HD22 ASN A 54 18.398 -11.803 -8.471 1.00 44.31 H new ATOM 884 N SER A 55 20.084 -16.576 -7.733 1.00 15.35 N ATOM 885 CA SER A 55 21.121 -17.179 -6.883 1.00 63.02 C ATOM 886 C SER A 55 21.449 -16.243 -5.712 1.00 14.12 C ATOM 887 O SER A 55 21.914 -16.681 -4.658 1.00 52.45 O ATOM 888 CB SER A 55 22.401 -17.468 -7.687 1.00 53.11 C ATOM 889 OG SER A 55 23.106 -16.275 -8.013 1.00 41.14 O ATOM 0 H SER A 55 20.444 -16.128 -8.576 1.00 15.35 H new ATOM 0 HA SER A 55 20.735 -18.124 -6.500 1.00 63.02 H new ATOM 0 HB2 SER A 55 23.050 -18.127 -7.111 1.00 53.11 H new ATOM 0 HB3 SER A 55 22.142 -17.998 -8.604 1.00 53.11 H new ATOM 0 HG SER A 55 23.913 -16.500 -8.521 1.00 41.14 H new ATOM 895 N THR A 56 21.221 -14.945 -5.920 1.00 23.43 N ATOM 896 CA THR A 56 21.339 -13.945 -4.852 1.00 35.11 C ATOM 897 C THR A 56 20.029 -13.852 -4.058 1.00 62.21 C ATOM 898 O THR A 56 19.050 -14.528 -4.379 1.00 64.11 O ATOM 899 CB THR A 56 21.686 -12.541 -5.409 1.00 65.30 C ATOM 900 OG1 THR A 56 20.594 -12.030 -6.187 1.00 21.34 O ATOM 901 CG2 THR A 56 22.943 -12.587 -6.271 1.00 33.12 C ATOM 0 H THR A 56 20.952 -14.558 -6.824 1.00 23.43 H new ATOM 0 HA THR A 56 22.150 -14.271 -4.201 1.00 35.11 H new ATOM 0 HB THR A 56 21.868 -11.883 -4.560 1.00 65.30 H new ATOM 0 HG1 THR A 56 20.825 -11.142 -6.532 1.00 21.34 H new ATOM 0 HG21 THR A 56 23.162 -11.588 -6.648 1.00 33.12 H new ATOM 0 HG22 THR A 56 23.782 -12.941 -5.672 1.00 33.12 H new ATOM 0 HG23 THR A 56 22.784 -13.265 -7.110 1.00 33.12 H new ATOM 909 N GLU A 57 20.005 -13.014 -3.025 1.00 54.54 N ATOM 910 CA GLU A 57 18.825 -12.906 -2.160 1.00 33.44 C ATOM 911 C GLU A 57 18.510 -11.450 -1.784 1.00 1.40 C ATOM 912 O GLU A 57 19.397 -10.594 -1.736 1.00 43.24 O ATOM 913 CB GLU A 57 19.039 -13.731 -0.882 1.00 21.04 C ATOM 914 CG GLU A 57 20.196 -13.233 -0.021 1.00 12.03 C ATOM 915 CD GLU A 57 20.426 -14.087 1.214 1.00 72.32 C ATOM 916 OE1 GLU A 57 19.713 -13.891 2.220 1.00 45.41 O ATOM 917 OE2 GLU A 57 21.323 -14.956 1.186 1.00 74.45 O ATOM 0 H GLU A 57 20.780 -12.403 -2.765 1.00 54.54 H new ATOM 0 HA GLU A 57 17.975 -13.294 -2.721 1.00 33.44 H new ATOM 0 HB2 GLU A 57 18.123 -13.714 -0.291 1.00 21.04 H new ATOM 0 HB3 GLU A 57 19.222 -14.770 -1.156 1.00 21.04 H new ATOM 0 HG2 GLU A 57 21.107 -13.217 -0.620 1.00 12.03 H new ATOM 0 HG3 GLU A 57 19.998 -12.206 0.286 1.00 12.03 H new ATOM 924 N SER A 58 17.230 -11.180 -1.539 1.00 45.45 N ATOM 925 CA SER A 58 16.789 -9.898 -0.973 1.00 1.22 C ATOM 926 C SER A 58 15.999 -10.114 0.320 1.00 63.35 C ATOM 927 O SER A 58 15.451 -11.194 0.557 1.00 52.34 O ATOM 928 CB SER A 58 15.914 -9.124 -1.964 1.00 51.32 C ATOM 929 OG SER A 58 15.443 -7.911 -1.391 1.00 2.03 O ATOM 0 H SER A 58 16.471 -11.835 -1.724 1.00 45.45 H new ATOM 0 HA SER A 58 17.687 -9.318 -0.759 1.00 1.22 H new ATOM 0 HB2 SER A 58 16.486 -8.906 -2.866 1.00 51.32 H new ATOM 0 HB3 SER A 58 15.067 -9.741 -2.265 1.00 51.32 H new ATOM 0 HG SER A 58 14.481 -7.822 -1.558 1.00 2.03 H new ATOM 935 N GLU A 59 15.948 -9.083 1.155 1.00 12.32 N ATOM 936 CA GLU A 59 15.188 -9.134 2.409 1.00 72.03 C ATOM 937 C GLU A 59 13.942 -8.233 2.353 1.00 63.12 C ATOM 938 O GLU A 59 13.102 -8.266 3.253 1.00 15.12 O ATOM 939 CB GLU A 59 16.089 -8.717 3.579 1.00 13.15 C ATOM 940 CG GLU A 59 17.282 -9.644 3.797 1.00 24.21 C ATOM 941 CD GLU A 59 18.231 -9.137 4.872 1.00 1.42 C ATOM 942 OE1 GLU A 59 17.891 -9.243 6.071 1.00 11.31 O ATOM 943 OE2 GLU A 59 19.310 -8.611 4.520 1.00 13.50 O ATOM 0 H GLU A 59 16.424 -8.196 0.990 1.00 12.32 H new ATOM 0 HA GLU A 59 14.849 -10.159 2.557 1.00 72.03 H new ATOM 0 HB2 GLU A 59 16.454 -7.705 3.402 1.00 13.15 H new ATOM 0 HB3 GLU A 59 15.493 -8.686 4.491 1.00 13.15 H new ATOM 0 HG2 GLU A 59 16.921 -10.634 4.074 1.00 24.21 H new ATOM 0 HG3 GLU A 59 17.827 -9.754 2.860 1.00 24.21 H new ATOM 950 N VAL A 60 13.818 -7.446 1.283 1.00 4.21 N ATOM 951 CA VAL A 60 12.718 -6.481 1.153 1.00 64.44 C ATOM 952 C VAL A 60 12.268 -6.326 -0.312 1.00 51.45 C ATOM 953 O VAL A 60 13.037 -6.601 -1.235 1.00 51.44 O ATOM 954 CB VAL A 60 13.135 -5.096 1.719 1.00 2.03 C ATOM 955 CG1 VAL A 60 14.296 -4.503 0.921 1.00 30.33 C ATOM 956 CG2 VAL A 60 11.947 -4.132 1.758 1.00 34.12 C ATOM 0 H VAL A 60 14.463 -7.456 0.493 1.00 4.21 H new ATOM 0 HA VAL A 60 11.879 -6.869 1.730 1.00 64.44 H new ATOM 0 HB VAL A 60 13.474 -5.246 2.744 1.00 2.03 H new ATOM 0 HG11 VAL A 60 14.567 -3.534 1.339 1.00 30.33 H new ATOM 0 HG12 VAL A 60 15.154 -5.174 0.974 1.00 30.33 H new ATOM 0 HG13 VAL A 60 13.996 -4.378 -0.120 1.00 30.33 H new ATOM 0 HG21 VAL A 60 12.271 -3.172 2.159 1.00 34.12 H new ATOM 0 HG22 VAL A 60 11.559 -3.992 0.749 1.00 34.12 H new ATOM 0 HG23 VAL A 60 11.164 -4.545 2.394 1.00 34.12 H new ATOM 966 N GLN A 61 11.007 -5.902 -0.499 1.00 24.34 N ATOM 967 CA GLN A 61 10.412 -5.619 -1.827 1.00 11.22 C ATOM 968 C GLN A 61 10.709 -6.706 -2.881 1.00 61.31 C ATOM 969 O GLN A 61 10.762 -6.425 -4.077 1.00 33.30 O ATOM 970 CB GLN A 61 10.851 -4.229 -2.338 1.00 23.22 C ATOM 971 CG GLN A 61 12.332 -4.107 -2.688 1.00 52.32 C ATOM 972 CD GLN A 61 12.714 -2.720 -3.169 1.00 54.24 C ATOM 973 OE1 GLN A 61 11.906 -2.004 -3.752 1.00 32.30 O ATOM 974 NE2 GLN A 61 13.947 -2.329 -2.926 1.00 13.52 N ATOM 0 H GLN A 61 10.360 -5.743 0.273 1.00 24.34 H new ATOM 0 HA GLN A 61 9.332 -5.625 -1.682 1.00 11.22 H new ATOM 0 HB2 GLN A 61 10.263 -3.981 -3.222 1.00 23.22 H new ATOM 0 HB3 GLN A 61 10.611 -3.487 -1.577 1.00 23.22 H new ATOM 0 HG2 GLN A 61 12.929 -4.359 -1.812 1.00 52.32 H new ATOM 0 HG3 GLN A 61 12.578 -4.835 -3.461 1.00 52.32 H new ATOM 0 HE21 GLN A 61 14.592 -2.951 -2.439 1.00 13.52 H new ATOM 0 HE22 GLN A 61 14.257 -1.404 -3.225 1.00 13.52 H new ATOM 983 N CYS A 62 10.867 -7.947 -2.433 1.00 34.43 N ATOM 984 CA CYS A 62 11.095 -9.078 -3.339 1.00 1.00 C ATOM 985 C CYS A 62 9.847 -9.964 -3.432 1.00 35.55 C ATOM 986 O CYS A 62 8.866 -9.744 -2.715 1.00 32.11 O ATOM 987 CB CYS A 62 12.288 -9.910 -2.861 1.00 74.21 C ATOM 988 SG CYS A 62 12.111 -10.579 -1.189 1.00 13.34 S ATOM 0 H CYS A 62 10.842 -8.200 -1.445 1.00 34.43 H new ATOM 0 HA CYS A 62 11.312 -8.679 -4.330 1.00 1.00 H new ATOM 0 HB2 CYS A 62 12.441 -10.736 -3.555 1.00 74.21 H new ATOM 0 HB3 CYS A 62 13.185 -9.292 -2.899 1.00 74.21 H new ATOM 0 HG CYS A 62 12.283 -11.867 -1.217 1.00 13.34 H new ATOM 994 N GLU A 63 9.888 -10.966 -4.312 1.00 63.32 N ATOM 995 CA GLU A 63 8.758 -11.880 -4.491 1.00 3.44 C ATOM 996 C GLU A 63 8.369 -12.566 -3.159 1.00 25.13 C ATOM 997 O GLU A 63 7.276 -12.329 -2.636 1.00 12.00 O ATOM 998 CB GLU A 63 9.057 -12.918 -5.601 1.00 3.22 C ATOM 999 CG GLU A 63 10.347 -13.732 -5.416 1.00 31.54 C ATOM 1000 CD GLU A 63 11.543 -13.198 -6.201 1.00 71.33 C ATOM 1001 OE1 GLU A 63 11.838 -11.988 -6.109 1.00 54.14 O ATOM 1002 OE2 GLU A 63 12.216 -14.004 -6.883 1.00 62.20 O ATOM 0 H GLU A 63 10.689 -11.165 -4.911 1.00 63.32 H new ATOM 0 HA GLU A 63 7.899 -11.291 -4.811 1.00 3.44 H new ATOM 0 HB2 GLU A 63 8.217 -13.610 -5.663 1.00 3.22 H new ATOM 0 HB3 GLU A 63 9.111 -12.397 -6.557 1.00 3.22 H new ATOM 0 HG2 GLU A 63 10.602 -13.752 -4.356 1.00 31.54 H new ATOM 0 HG3 GLU A 63 10.159 -14.762 -5.718 1.00 31.54 H new ATOM 1009 N LEU A 64 9.266 -13.409 -2.621 1.00 43.00 N ATOM 1010 CA LEU A 64 9.093 -14.052 -1.300 1.00 64.13 C ATOM 1011 C LEU A 64 7.659 -14.587 -1.063 1.00 41.53 C ATOM 1012 O LEU A 64 7.205 -14.675 0.080 1.00 30.14 O ATOM 1013 CB LEU A 64 9.482 -13.042 -0.202 1.00 10.50 C ATOM 1014 CG LEU A 64 9.701 -13.629 1.205 1.00 65.01 C ATOM 1015 CD1 LEU A 64 10.830 -14.659 1.196 1.00 73.14 C ATOM 1016 CD2 LEU A 64 9.993 -12.514 2.211 1.00 2.42 C ATOM 0 H LEU A 64 10.135 -13.667 -3.088 1.00 43.00 H new ATOM 0 HA LEU A 64 9.745 -14.925 -1.267 1.00 64.13 H new ATOM 0 HB2 LEU A 64 10.397 -12.535 -0.509 1.00 10.50 H new ATOM 0 HB3 LEU A 64 8.702 -12.283 -0.141 1.00 10.50 H new ATOM 0 HG LEU A 64 8.785 -14.136 1.509 1.00 65.01 H new ATOM 0 HD11 LEU A 64 10.966 -15.059 2.201 1.00 73.14 H new ATOM 0 HD12 LEU A 64 10.577 -15.470 0.513 1.00 73.14 H new ATOM 0 HD13 LEU A 64 11.754 -14.183 0.867 1.00 73.14 H new ATOM 0 HD21 LEU A 64 10.145 -12.947 3.200 1.00 2.42 H new ATOM 0 HD22 LEU A 64 10.892 -11.977 1.908 1.00 2.42 H new ATOM 0 HD23 LEU A 64 9.151 -11.823 2.243 1.00 2.42 H new ATOM 1028 N ILE A 65 6.966 -14.966 -2.149 1.00 34.24 N ATOM 1029 CA ILE A 65 5.546 -15.389 -2.107 1.00 71.31 C ATOM 1030 C ILE A 65 4.715 -14.546 -1.118 1.00 0.40 C ATOM 1031 O ILE A 65 3.794 -15.045 -0.468 1.00 54.31 O ATOM 1032 CB ILE A 65 5.371 -16.913 -1.806 1.00 1.32 C ATOM 1033 CG1 ILE A 65 5.947 -17.301 -0.432 1.00 34.12 C ATOM 1034 CG2 ILE A 65 6.014 -17.751 -2.910 1.00 10.53 C ATOM 1035 CD1 ILE A 65 5.751 -18.762 -0.075 1.00 22.13 C ATOM 0 H ILE A 65 7.370 -14.990 -3.085 1.00 34.24 H new ATOM 0 HA ILE A 65 5.163 -15.211 -3.112 1.00 71.31 H new ATOM 0 HB ILE A 65 4.301 -17.119 -1.779 1.00 1.32 H new ATOM 0 HG12 ILE A 65 7.013 -17.073 -0.418 1.00 34.12 H new ATOM 0 HG13 ILE A 65 5.479 -16.684 0.335 1.00 34.12 H new ATOM 0 HG21 ILE A 65 5.884 -18.810 -2.686 1.00 10.53 H new ATOM 0 HG22 ILE A 65 5.540 -17.521 -3.864 1.00 10.53 H new ATOM 0 HG23 ILE A 65 7.078 -17.521 -2.969 1.00 10.53 H new ATOM 0 HD11 ILE A 65 6.183 -18.958 0.906 1.00 22.13 H new ATOM 0 HD12 ILE A 65 4.686 -18.992 -0.055 1.00 22.13 H new ATOM 0 HD13 ILE A 65 6.243 -19.388 -0.820 1.00 22.13 H new ATOM 1047 N THR A 66 5.041 -13.252 -1.040 1.00 44.23 N ATOM 1048 CA THR A 66 4.344 -12.306 -0.155 1.00 33.13 C ATOM 1049 C THR A 66 2.841 -12.248 -0.464 1.00 30.31 C ATOM 1050 O THR A 66 2.020 -11.957 0.406 1.00 51.04 O ATOM 1051 CB THR A 66 4.945 -10.881 -0.284 1.00 4.13 C ATOM 1052 OG1 THR A 66 6.364 -10.924 -0.069 1.00 52.24 O ATOM 1053 CG2 THR A 66 4.313 -9.911 0.715 1.00 63.30 C ATOM 0 H THR A 66 5.792 -12.829 -1.585 1.00 44.23 H new ATOM 0 HA THR A 66 4.480 -12.666 0.865 1.00 33.13 H new ATOM 0 HB THR A 66 4.732 -10.524 -1.292 1.00 4.13 H new ATOM 0 HG1 THR A 66 6.803 -11.303 -0.859 1.00 52.24 H new ATOM 0 HG21 THR A 66 4.759 -8.924 0.595 1.00 63.30 H new ATOM 0 HG22 THR A 66 3.240 -9.849 0.533 1.00 63.30 H new ATOM 0 HG23 THR A 66 4.489 -10.268 1.730 1.00 63.30 H new ATOM 1061 N GLY A 67 2.493 -12.521 -1.715 1.00 73.00 N ATOM 1062 CA GLY A 67 1.098 -12.564 -2.122 1.00 3.52 C ATOM 1063 C GLY A 67 0.941 -12.912 -3.594 1.00 3.44 C ATOM 1064 O GLY A 67 1.833 -12.637 -4.385 1.00 73.25 O ATOM 0 H GLY A 67 3.158 -12.716 -2.463 1.00 73.00 H new ATOM 0 HA2 GLY A 67 0.567 -13.300 -1.518 1.00 3.52 H new ATOM 0 HA3 GLY A 67 0.634 -11.597 -1.927 1.00 3.52 H new ATOM 1068 N GLU A 68 -0.186 -13.542 -3.942 1.00 35.20 N ATOM 1069 CA GLU A 68 -0.552 -13.898 -5.339 1.00 63.50 C ATOM 1070 C GLU A 68 0.553 -14.623 -6.149 1.00 54.21 C ATOM 1071 O GLU A 68 0.377 -14.884 -7.337 1.00 71.35 O ATOM 1072 CB GLU A 68 -1.127 -12.679 -6.114 1.00 3.33 C ATOM 1073 CG GLU A 68 -0.330 -11.370 -6.033 1.00 10.34 C ATOM 1074 CD GLU A 68 0.934 -11.335 -6.886 1.00 73.35 C ATOM 1075 OE1 GLU A 68 0.999 -12.051 -7.903 1.00 24.55 O ATOM 1076 OE2 GLU A 68 1.844 -10.535 -6.575 1.00 30.51 O ATOM 0 H GLU A 68 -0.888 -13.828 -3.259 1.00 35.20 H new ATOM 0 HA GLU A 68 -1.341 -14.642 -5.229 1.00 63.50 H new ATOM 0 HB2 GLU A 68 -1.219 -12.957 -7.164 1.00 3.33 H new ATOM 0 HB3 GLU A 68 -2.135 -12.487 -5.746 1.00 3.33 H new ATOM 0 HG2 GLU A 68 -0.978 -10.548 -6.336 1.00 10.34 H new ATOM 0 HG3 GLU A 68 -0.054 -11.193 -4.993 1.00 10.34 H new ATOM 1083 N PHE A 69 1.663 -14.984 -5.506 1.00 30.44 N ATOM 1084 CA PHE A 69 2.696 -15.812 -6.146 1.00 75.00 C ATOM 1085 C PHE A 69 2.526 -17.286 -5.760 1.00 45.54 C ATOM 1086 O PHE A 69 3.198 -18.171 -6.299 1.00 2.31 O ATOM 1087 CB PHE A 69 4.095 -15.334 -5.743 1.00 52.43 C ATOM 1088 CG PHE A 69 4.460 -13.979 -6.290 1.00 63.32 C ATOM 1089 CD1 PHE A 69 4.624 -13.793 -7.656 1.00 62.54 C ATOM 1090 CD2 PHE A 69 4.653 -12.896 -5.445 1.00 12.11 C ATOM 1091 CE1 PHE A 69 4.971 -12.558 -8.164 1.00 35.21 C ATOM 1092 CE2 PHE A 69 4.998 -11.659 -5.950 1.00 13.10 C ATOM 1093 CZ PHE A 69 5.157 -11.490 -7.311 1.00 12.50 C ATOM 0 H PHE A 69 1.874 -14.719 -4.544 1.00 30.44 H new ATOM 0 HA PHE A 69 2.583 -15.714 -7.226 1.00 75.00 H new ATOM 0 HB2 PHE A 69 4.158 -15.305 -4.655 1.00 52.43 H new ATOM 0 HB3 PHE A 69 4.830 -16.063 -6.086 1.00 52.43 H new ATOM 0 HD1 PHE A 69 4.478 -14.625 -8.329 1.00 62.54 H new ATOM 0 HD2 PHE A 69 4.532 -13.022 -4.379 1.00 12.11 H new ATOM 0 HE1 PHE A 69 5.097 -12.428 -9.229 1.00 35.21 H new ATOM 0 HE2 PHE A 69 5.144 -10.824 -5.281 1.00 13.10 H new ATOM 0 HZ PHE A 69 5.427 -10.522 -7.708 1.00 12.50 H new ATOM 1103 N ASP A 70 1.634 -17.533 -4.811 1.00 4.15 N ATOM 1104 CA ASP A 70 1.355 -18.878 -4.322 1.00 54.13 C ATOM 1105 C ASP A 70 -0.021 -19.376 -4.810 1.00 23.55 C ATOM 1106 O ASP A 70 -0.969 -18.596 -4.933 1.00 54.34 O ATOM 1107 CB ASP A 70 1.413 -18.878 -2.791 1.00 64.05 C ATOM 1108 CG ASP A 70 0.435 -17.887 -2.184 1.00 4.04 C ATOM 1109 OD1 ASP A 70 0.734 -16.671 -2.181 1.00 21.14 O ATOM 1110 OD2 ASP A 70 -0.636 -18.318 -1.719 1.00 41.25 O ATOM 0 H ASP A 70 1.082 -16.806 -4.357 1.00 4.15 H new ATOM 0 HA ASP A 70 2.108 -19.560 -4.717 1.00 54.13 H new ATOM 0 HB2 ASP A 70 1.192 -19.879 -2.420 1.00 64.05 H new ATOM 0 HB3 ASP A 70 2.425 -18.634 -2.467 1.00 64.05 H new ATOM 1115 N PRO A 71 -0.152 -20.691 -5.080 1.00 61.03 N ATOM 1116 CA PRO A 71 -1.412 -21.285 -5.573 1.00 41.14 C ATOM 1117 C PRO A 71 -2.546 -21.293 -4.524 1.00 53.41 C ATOM 1118 O PRO A 71 -3.605 -21.888 -4.748 1.00 1.13 O ATOM 1119 CB PRO A 71 -1.011 -22.731 -5.938 1.00 13.35 C ATOM 1120 CG PRO A 71 0.484 -22.742 -5.950 1.00 63.15 C ATOM 1121 CD PRO A 71 0.908 -21.704 -4.953 1.00 1.35 C ATOM 0 HA PRO A 71 -1.817 -20.707 -6.404 1.00 41.14 H new ATOM 0 HB2 PRO A 71 -1.403 -23.442 -5.210 1.00 13.35 H new ATOM 0 HB3 PRO A 71 -1.413 -23.016 -6.910 1.00 13.35 H new ATOM 0 HG2 PRO A 71 0.870 -23.725 -5.680 1.00 63.15 H new ATOM 0 HG3 PRO A 71 0.869 -22.511 -6.943 1.00 63.15 H new ATOM 0 HD2 PRO A 71 0.963 -22.110 -3.943 1.00 1.35 H new ATOM 0 HD3 PRO A 71 1.891 -21.295 -5.186 1.00 1.35 H new ATOM 1129 N LYS A 72 -2.325 -20.641 -3.382 1.00 62.33 N ATOM 1130 CA LYS A 72 -3.330 -20.574 -2.314 1.00 45.31 C ATOM 1131 C LYS A 72 -4.152 -19.278 -2.413 1.00 55.35 C ATOM 1132 O LYS A 72 -5.379 -19.317 -2.556 1.00 45.31 O ATOM 1133 CB LYS A 72 -2.642 -20.677 -0.943 1.00 1.02 C ATOM 1134 CG LYS A 72 -3.603 -20.734 0.242 1.00 61.53 C ATOM 1135 CD LYS A 72 -2.852 -20.901 1.564 1.00 21.22 C ATOM 1136 CE LYS A 72 -3.798 -21.067 2.747 1.00 51.01 C ATOM 1137 NZ LYS A 72 -4.647 -19.866 2.969 1.00 3.11 N ATOM 0 H LYS A 72 -1.457 -20.149 -3.170 1.00 62.33 H new ATOM 0 HA LYS A 72 -4.017 -21.413 -2.429 1.00 45.31 H new ATOM 0 HB2 LYS A 72 -2.016 -21.569 -0.930 1.00 1.02 H new ATOM 0 HB3 LYS A 72 -1.980 -19.821 -0.817 1.00 1.02 H new ATOM 0 HG2 LYS A 72 -4.199 -19.822 0.273 1.00 61.53 H new ATOM 0 HG3 LYS A 72 -4.297 -21.564 0.109 1.00 61.53 H new ATOM 0 HD2 LYS A 72 -2.197 -21.770 1.500 1.00 21.22 H new ATOM 0 HD3 LYS A 72 -2.215 -20.033 1.730 1.00 21.22 H new ATOM 0 HE2 LYS A 72 -4.437 -21.934 2.578 1.00 51.01 H new ATOM 0 HE3 LYS A 72 -3.217 -21.269 3.647 1.00 51.01 H new ATOM 0 HZ1 LYS A 72 -5.224 -20.002 3.824 1.00 3.11 H new ATOM 0 HZ2 LYS A 72 -4.041 -19.030 3.089 1.00 3.11 H new ATOM 0 HZ3 LYS A 72 -5.271 -19.726 2.149 1.00 3.11 H new ATOM 1151 N LEU A 73 -3.470 -18.133 -2.346 1.00 64.35 N ATOM 1152 CA LEU A 73 -4.128 -16.821 -2.468 1.00 3.21 C ATOM 1153 C LEU A 73 -4.628 -16.560 -3.900 1.00 41.32 C ATOM 1154 O LEU A 73 -5.655 -15.905 -4.096 1.00 23.25 O ATOM 1155 CB LEU A 73 -3.177 -15.694 -2.027 1.00 70.21 C ATOM 1156 CG LEU A 73 -3.088 -15.452 -0.506 1.00 63.05 C ATOM 1157 CD1 LEU A 73 -2.649 -16.710 0.241 1.00 70.14 C ATOM 1158 CD2 LEU A 73 -2.140 -14.292 -0.205 1.00 73.15 C ATOM 0 H LEU A 73 -2.461 -18.083 -2.208 1.00 64.35 H new ATOM 0 HA LEU A 73 -4.996 -16.834 -1.809 1.00 3.21 H new ATOM 0 HB2 LEU A 73 -2.178 -15.920 -2.400 1.00 70.21 H new ATOM 0 HB3 LEU A 73 -3.494 -14.768 -2.506 1.00 70.21 H new ATOM 0 HG LEU A 73 -4.086 -15.192 -0.154 1.00 63.05 H new ATOM 0 HD11 LEU A 73 -2.598 -16.500 1.309 1.00 70.14 H new ATOM 0 HD12 LEU A 73 -3.369 -17.509 0.062 1.00 70.14 H new ATOM 0 HD13 LEU A 73 -1.667 -17.020 -0.115 1.00 70.14 H new ATOM 0 HD21 LEU A 73 -2.089 -14.134 0.872 1.00 73.15 H new ATOM 0 HD22 LEU A 73 -1.146 -14.527 -0.585 1.00 73.15 H new ATOM 0 HD23 LEU A 73 -2.509 -13.386 -0.687 1.00 73.15 H new ATOM 1170 N LEU A 74 -3.890 -17.053 -4.896 1.00 11.01 N ATOM 1171 CA LEU A 74 -4.307 -16.943 -6.302 1.00 42.41 C ATOM 1172 C LEU A 74 -4.777 -18.317 -6.828 1.00 42.15 C ATOM 1173 O LEU A 74 -3.965 -19.161 -7.213 1.00 72.05 O ATOM 1174 CB LEU A 74 -3.143 -16.387 -7.159 1.00 62.42 C ATOM 1175 CG LEU A 74 -3.529 -15.774 -8.528 1.00 70.45 C ATOM 1176 CD1 LEU A 74 -2.344 -15.026 -9.140 1.00 63.24 C ATOM 1177 CD2 LEU A 74 -4.032 -16.839 -9.506 1.00 2.45 C ATOM 0 H LEU A 74 -3.000 -17.533 -4.759 1.00 11.01 H new ATOM 0 HA LEU A 74 -5.145 -16.249 -6.373 1.00 42.41 H new ATOM 0 HB2 LEU A 74 -2.624 -15.625 -6.577 1.00 62.42 H new ATOM 0 HB3 LEU A 74 -2.432 -17.194 -7.334 1.00 62.42 H new ATOM 0 HG LEU A 74 -4.342 -15.070 -8.347 1.00 70.45 H new ATOM 0 HD11 LEU A 74 -2.637 -14.604 -10.101 1.00 63.24 H new ATOM 0 HD12 LEU A 74 -2.035 -14.224 -8.470 1.00 63.24 H new ATOM 0 HD13 LEU A 74 -1.514 -15.717 -9.286 1.00 63.24 H new ATOM 0 HD21 LEU A 74 -4.292 -16.368 -10.454 1.00 2.45 H new ATOM 0 HD22 LEU A 74 -3.250 -17.580 -9.671 1.00 2.45 H new ATOM 0 HD23 LEU A 74 -4.913 -17.328 -9.090 1.00 2.45 H new ATOM 1189 N PRO A 75 -6.104 -18.567 -6.830 1.00 71.53 N ATOM 1190 CA PRO A 75 -6.672 -19.840 -7.284 1.00 0.23 C ATOM 1191 C PRO A 75 -7.000 -19.870 -8.792 1.00 30.14 C ATOM 1192 O PRO A 75 -7.987 -19.279 -9.241 1.00 21.43 O ATOM 1193 CB PRO A 75 -7.946 -19.938 -6.439 1.00 13.23 C ATOM 1194 CG PRO A 75 -8.390 -18.518 -6.240 1.00 41.03 C ATOM 1195 CD PRO A 75 -7.157 -17.642 -6.366 1.00 1.21 C ATOM 0 HA PRO A 75 -5.977 -20.671 -7.162 1.00 0.23 H new ATOM 0 HB2 PRO A 75 -8.712 -20.524 -6.947 1.00 13.23 H new ATOM 0 HB3 PRO A 75 -7.750 -20.428 -5.485 1.00 13.23 H new ATOM 0 HG2 PRO A 75 -9.137 -18.240 -6.984 1.00 41.03 H new ATOM 0 HG3 PRO A 75 -8.853 -18.393 -5.261 1.00 41.03 H new ATOM 0 HD2 PRO A 75 -7.316 -16.830 -7.076 1.00 1.21 H new ATOM 0 HD3 PRO A 75 -6.894 -17.185 -5.412 1.00 1.21 H new ATOM 1203 N TYR A 76 -6.153 -20.543 -9.575 1.00 1.23 N ATOM 1204 CA TYR A 76 -6.398 -20.723 -11.015 1.00 31.23 C ATOM 1205 C TYR A 76 -5.740 -22.019 -11.535 1.00 44.31 C ATOM 1206 O TYR A 76 -4.985 -22.677 -10.814 1.00 51.54 O ATOM 1207 CB TYR A 76 -5.887 -19.499 -11.798 1.00 43.32 C ATOM 1208 CG TYR A 76 -6.253 -19.504 -13.277 1.00 35.42 C ATOM 1209 CD1 TYR A 76 -7.536 -19.169 -13.704 1.00 32.04 C ATOM 1210 CD2 TYR A 76 -5.315 -19.847 -14.244 1.00 43.31 C ATOM 1211 CE1 TYR A 76 -7.866 -19.177 -15.048 1.00 50.40 C ATOM 1212 CE2 TYR A 76 -5.637 -19.857 -15.587 1.00 25.33 C ATOM 1213 CZ TYR A 76 -6.913 -19.521 -15.985 1.00 60.04 C ATOM 1214 OH TYR A 76 -7.235 -19.528 -17.324 1.00 33.32 O ATOM 0 H TYR A 76 -5.291 -20.973 -9.240 1.00 1.23 H new ATOM 0 HA TYR A 76 -7.473 -20.813 -11.170 1.00 31.23 H new ATOM 0 HB2 TYR A 76 -6.288 -18.595 -11.339 1.00 43.32 H new ATOM 0 HB3 TYR A 76 -4.802 -19.449 -11.704 1.00 43.32 H new ATOM 0 HD1 TYR A 76 -8.285 -18.899 -12.975 1.00 32.04 H new ATOM 0 HD2 TYR A 76 -4.313 -20.111 -13.939 1.00 43.31 H new ATOM 0 HE1 TYR A 76 -8.865 -18.915 -15.362 1.00 50.40 H new ATOM 0 HE2 TYR A 76 -4.893 -20.127 -16.322 1.00 25.33 H new ATOM 0 HH TYR A 76 -6.450 -19.792 -17.848 1.00 33.32 H new ATOM 1224 N ASP A 77 -6.043 -22.381 -12.785 1.00 20.45 N ATOM 1225 CA ASP A 77 -5.466 -23.569 -13.435 1.00 71.54 C ATOM 1226 C ASP A 77 -3.924 -23.609 -13.357 1.00 45.12 C ATOM 1227 O ASP A 77 -3.258 -22.581 -13.183 1.00 23.40 O ATOM 1228 CB ASP A 77 -5.901 -23.609 -14.903 1.00 3.31 C ATOM 1229 CG ASP A 77 -7.409 -23.672 -15.060 1.00 63.13 C ATOM 1230 OD1 ASP A 77 -8.092 -22.714 -14.640 1.00 64.02 O ATOM 1231 OD2 ASP A 77 -7.922 -24.677 -15.599 1.00 5.51 O ATOM 0 H ASP A 77 -6.693 -21.863 -13.376 1.00 20.45 H new ATOM 0 HA ASP A 77 -5.838 -24.441 -12.897 1.00 71.54 H new ATOM 0 HB2 ASP A 77 -5.522 -22.725 -15.415 1.00 3.31 H new ATOM 0 HB3 ASP A 77 -5.452 -24.475 -15.388 1.00 3.31 H new ATOM 1236 N LYS A 78 -3.369 -24.807 -13.541 1.00 31.53 N ATOM 1237 CA LYS A 78 -1.923 -25.042 -13.413 1.00 0.02 C ATOM 1238 C LYS A 78 -1.095 -24.195 -14.394 1.00 64.42 C ATOM 1239 O LYS A 78 0.101 -24.008 -14.194 1.00 63.23 O ATOM 1240 CB LYS A 78 -1.613 -26.528 -13.633 1.00 10.23 C ATOM 1241 CG LYS A 78 -2.357 -27.457 -12.679 1.00 13.25 C ATOM 1242 CD LYS A 78 -2.092 -28.926 -12.997 1.00 24.01 C ATOM 1243 CE LYS A 78 -2.895 -29.855 -12.094 1.00 31.50 C ATOM 1244 NZ LYS A 78 -4.360 -29.610 -12.194 1.00 72.45 N ATOM 0 H LYS A 78 -3.903 -25.642 -13.782 1.00 31.53 H new ATOM 0 HA LYS A 78 -1.641 -24.742 -12.404 1.00 0.02 H new ATOM 0 HB2 LYS A 78 -1.867 -26.795 -14.659 1.00 10.23 H new ATOM 0 HB3 LYS A 78 -0.541 -26.687 -13.519 1.00 10.23 H new ATOM 0 HG2 LYS A 78 -2.052 -27.246 -11.654 1.00 13.25 H new ATOM 0 HG3 LYS A 78 -3.427 -27.259 -12.740 1.00 13.25 H new ATOM 0 HD2 LYS A 78 -2.345 -29.124 -14.039 1.00 24.01 H new ATOM 0 HD3 LYS A 78 -1.029 -29.137 -12.882 1.00 24.01 H new ATOM 0 HE2 LYS A 78 -2.683 -30.890 -12.360 1.00 31.50 H new ATOM 0 HE3 LYS A 78 -2.576 -29.720 -11.061 1.00 31.50 H new ATOM 0 HZ1 LYS A 78 -4.875 -30.417 -11.789 1.00 72.45 H new ATOM 0 HZ2 LYS A 78 -4.604 -28.745 -11.670 1.00 72.45 H new ATOM 0 HZ3 LYS A 78 -4.626 -29.496 -13.193 1.00 72.45 H new ATOM 1258 N ARG A 79 -1.728 -23.694 -15.454 1.00 33.21 N ATOM 1259 CA ARG A 79 -1.038 -22.856 -16.447 1.00 55.20 C ATOM 1260 C ARG A 79 -0.519 -21.549 -15.822 1.00 43.11 C ATOM 1261 O ARG A 79 0.693 -21.357 -15.670 1.00 61.04 O ATOM 1262 CB ARG A 79 -1.974 -22.545 -17.621 1.00 23.32 C ATOM 1263 CG ARG A 79 -2.486 -23.790 -18.335 1.00 11.32 C ATOM 1264 CD ARG A 79 -3.433 -23.443 -19.477 1.00 74.22 C ATOM 1265 NE ARG A 79 -4.013 -24.644 -20.072 1.00 21.11 N ATOM 1266 CZ ARG A 79 -5.284 -24.932 -20.041 1.00 34.22 C ATOM 1267 NH1 ARG A 79 -6.135 -24.103 -19.525 1.00 31.10 N ATOM 1268 NH2 ARG A 79 -5.701 -26.043 -20.547 1.00 24.03 N ATOM 0 H ARG A 79 -2.716 -23.851 -15.651 1.00 33.21 H new ATOM 0 HA ARG A 79 -0.177 -23.416 -16.813 1.00 55.20 H new ATOM 0 HB2 ARG A 79 -2.825 -21.970 -17.255 1.00 23.32 H new ATOM 0 HB3 ARG A 79 -1.448 -21.915 -18.338 1.00 23.32 H new ATOM 0 HG2 ARG A 79 -1.641 -24.358 -18.724 1.00 11.32 H new ATOM 0 HG3 ARG A 79 -3.000 -24.433 -17.620 1.00 11.32 H new ATOM 0 HD2 ARG A 79 -4.230 -22.797 -19.108 1.00 74.22 H new ATOM 0 HD3 ARG A 79 -2.895 -22.881 -20.240 1.00 74.22 H new ATOM 0 HE ARG A 79 -3.385 -25.297 -20.540 1.00 21.11 H new ATOM 0 HH11 ARG A 79 -5.813 -23.216 -19.138 1.00 31.10 H new ATOM 0 HH12 ARG A 79 -7.128 -24.337 -19.505 1.00 31.10 H new ATOM 0 HH21 ARG A 79 -5.037 -26.692 -20.969 1.00 24.03 H new ATOM 0 HH22 ARG A 79 -6.695 -26.272 -20.525 1.00 24.03 H new ATOM 1282 N LEU A 80 -1.436 -20.650 -15.460 1.00 23.12 N ATOM 1283 CA LEU A 80 -1.058 -19.391 -14.810 1.00 41.12 C ATOM 1284 C LEU A 80 -0.296 -19.663 -13.506 1.00 55.14 C ATOM 1285 O LEU A 80 0.685 -18.979 -13.191 1.00 21.43 O ATOM 1286 CB LEU A 80 -2.296 -18.533 -14.528 1.00 42.42 C ATOM 1287 CG LEU A 80 -2.014 -17.136 -13.947 1.00 32.31 C ATOM 1288 CD1 LEU A 80 -1.181 -16.304 -14.921 1.00 30.32 C ATOM 1289 CD2 LEU A 80 -3.320 -16.421 -13.599 1.00 30.11 C ATOM 0 H LEU A 80 -2.439 -20.767 -15.604 1.00 23.12 H new ATOM 0 HA LEU A 80 -0.404 -18.844 -15.489 1.00 41.12 H new ATOM 0 HB2 LEU A 80 -2.855 -18.415 -15.457 1.00 42.42 H new ATOM 0 HB3 LEU A 80 -2.941 -19.073 -13.834 1.00 42.42 H new ATOM 0 HG LEU A 80 -1.440 -17.258 -13.029 1.00 32.31 H new ATOM 0 HD11 LEU A 80 -0.993 -15.320 -14.491 1.00 30.32 H new ATOM 0 HD12 LEU A 80 -0.232 -16.806 -15.108 1.00 30.32 H new ATOM 0 HD13 LEU A 80 -1.723 -16.192 -15.860 1.00 30.32 H new ATOM 0 HD21 LEU A 80 -3.097 -15.435 -13.190 1.00 30.11 H new ATOM 0 HD22 LEU A 80 -3.926 -16.312 -14.498 1.00 30.11 H new ATOM 0 HD23 LEU A 80 -3.869 -17.005 -12.860 1.00 30.11 H new ATOM 1301 N ALA A 81 -0.747 -20.680 -12.768 1.00 65.01 N ATOM 1302 CA ALA A 81 -0.065 -21.113 -11.548 1.00 71.23 C ATOM 1303 C ALA A 81 1.416 -21.419 -11.819 1.00 24.14 C ATOM 1304 O ALA A 81 2.291 -20.925 -11.121 1.00 75.22 O ATOM 1305 CB ALA A 81 -0.764 -22.333 -10.954 1.00 23.35 C ATOM 0 H ALA A 81 -1.583 -21.219 -12.995 1.00 65.01 H new ATOM 0 HA ALA A 81 -0.111 -20.297 -10.827 1.00 71.23 H new ATOM 0 HB1 ALA A 81 -0.245 -22.644 -10.047 1.00 23.35 H new ATOM 0 HB2 ALA A 81 -1.796 -22.079 -10.713 1.00 23.35 H new ATOM 0 HB3 ALA A 81 -0.750 -23.148 -11.677 1.00 23.35 H new ATOM 1311 N TRP A 82 1.687 -22.219 -12.857 1.00 1.42 N ATOM 1312 CA TRP A 82 3.066 -22.568 -13.236 1.00 23.53 C ATOM 1313 C TRP A 82 3.904 -21.319 -13.530 1.00 24.41 C ATOM 1314 O TRP A 82 5.073 -21.255 -13.166 1.00 72.43 O ATOM 1315 CB TRP A 82 3.080 -23.502 -14.459 1.00 73.34 C ATOM 1316 CG TRP A 82 4.463 -23.762 -15.002 1.00 13.22 C ATOM 1317 CD1 TRP A 82 5.524 -24.305 -14.330 1.00 21.31 C ATOM 1318 CD2 TRP A 82 4.928 -23.494 -16.331 1.00 34.30 C ATOM 1319 NE1 TRP A 82 6.619 -24.376 -15.156 1.00 10.34 N ATOM 1320 CE2 TRP A 82 6.279 -23.890 -16.389 1.00 5.45 C ATOM 1321 CE3 TRP A 82 4.337 -22.954 -17.477 1.00 2.13 C ATOM 1322 CZ2 TRP A 82 7.043 -23.765 -17.545 1.00 23.43 C ATOM 1323 CZ3 TRP A 82 5.097 -22.832 -18.626 1.00 43.30 C ATOM 1324 CH2 TRP A 82 6.438 -23.235 -18.653 1.00 44.22 C ATOM 0 H TRP A 82 0.971 -22.638 -13.451 1.00 1.42 H new ATOM 0 HA TRP A 82 3.510 -23.087 -12.386 1.00 23.53 H new ATOM 0 HB2 TRP A 82 2.621 -24.452 -14.186 1.00 73.34 H new ATOM 0 HB3 TRP A 82 2.465 -23.066 -15.246 1.00 73.34 H new ATOM 0 HD1 TRP A 82 5.503 -24.630 -13.300 1.00 21.31 H new ATOM 0 HE1 TRP A 82 7.537 -24.733 -14.893 1.00 10.34 H new ATOM 0 HE3 TRP A 82 3.304 -22.637 -17.465 1.00 2.13 H new ATOM 0 HZ2 TRP A 82 8.077 -24.075 -17.568 1.00 23.43 H new ATOM 0 HZ3 TRP A 82 4.649 -22.419 -19.518 1.00 43.30 H new ATOM 0 HH2 TRP A 82 7.006 -23.126 -19.565 1.00 44.22 H new ATOM 1335 N HIS A 83 3.298 -20.327 -14.182 1.00 11.10 N ATOM 1336 CA HIS A 83 4.006 -19.080 -14.509 1.00 32.43 C ATOM 1337 C HIS A 83 4.538 -18.405 -13.231 1.00 21.01 C ATOM 1338 O HIS A 83 5.747 -18.370 -12.976 1.00 51.44 O ATOM 1339 CB HIS A 83 3.079 -18.114 -15.267 1.00 54.01 C ATOM 1340 CG HIS A 83 2.397 -18.732 -16.448 1.00 21.20 C ATOM 1341 ND1 HIS A 83 1.175 -18.301 -16.923 1.00 61.32 N ATOM 1342 CD2 HIS A 83 2.764 -19.760 -17.250 1.00 0.14 C ATOM 1343 CE1 HIS A 83 0.817 -19.040 -17.952 1.00 42.10 C ATOM 1344 NE2 HIS A 83 1.763 -19.929 -18.173 1.00 50.40 N ATOM 0 H HIS A 83 2.327 -20.357 -14.494 1.00 11.10 H new ATOM 0 HA HIS A 83 4.852 -19.330 -15.150 1.00 32.43 H new ATOM 0 HB2 HIS A 83 2.323 -17.736 -14.579 1.00 54.01 H new ATOM 0 HB3 HIS A 83 3.661 -17.256 -15.603 1.00 54.01 H new ATOM 0 HD2 HIS A 83 3.673 -20.338 -17.177 1.00 0.14 H new ATOM 0 HE1 HIS A 83 -0.097 -18.935 -18.518 1.00 42.10 H new ATOM 0 HE2 HIS A 83 1.753 -20.631 -18.913 1.00 50.40 H new ATOM 1353 N PHE A 84 3.609 -17.911 -12.418 1.00 12.55 N ATOM 1354 CA PHE A 84 3.946 -17.230 -11.157 1.00 31.13 C ATOM 1355 C PHE A 84 4.736 -18.148 -10.202 1.00 13.23 C ATOM 1356 O PHE A 84 5.606 -17.690 -9.453 1.00 74.43 O ATOM 1357 CB PHE A 84 2.661 -16.729 -10.480 1.00 32.53 C ATOM 1358 CG PHE A 84 2.023 -15.535 -11.166 1.00 11.10 C ATOM 1359 CD1 PHE A 84 1.886 -15.476 -12.554 1.00 22.53 C ATOM 1360 CD2 PHE A 84 1.553 -14.467 -10.413 1.00 3.11 C ATOM 1361 CE1 PHE A 84 1.300 -14.379 -13.160 1.00 65.24 C ATOM 1362 CE2 PHE A 84 0.969 -13.373 -11.019 1.00 52.20 C ATOM 1363 CZ PHE A 84 0.842 -13.328 -12.393 1.00 30.12 C ATOM 0 H PHE A 84 2.608 -17.967 -12.606 1.00 12.55 H new ATOM 0 HA PHE A 84 4.588 -16.381 -11.393 1.00 31.13 H new ATOM 0 HB2 PHE A 84 1.939 -17.545 -10.448 1.00 32.53 H new ATOM 0 HB3 PHE A 84 2.887 -16.463 -9.448 1.00 32.53 H new ATOM 0 HD1 PHE A 84 2.241 -16.295 -13.161 1.00 22.53 H new ATOM 0 HD2 PHE A 84 1.646 -14.493 -9.337 1.00 3.11 H new ATOM 0 HE1 PHE A 84 1.201 -14.346 -14.235 1.00 65.24 H new ATOM 0 HE2 PHE A 84 0.611 -12.551 -10.417 1.00 52.20 H new ATOM 0 HZ PHE A 84 0.385 -12.472 -12.866 1.00 30.12 H new ATOM 1373 N LYS A 85 4.432 -19.445 -10.241 1.00 62.43 N ATOM 1374 CA LYS A 85 5.159 -20.440 -9.446 1.00 42.52 C ATOM 1375 C LYS A 85 6.638 -20.482 -9.834 1.00 51.11 C ATOM 1376 O LYS A 85 7.514 -20.310 -8.990 1.00 40.04 O ATOM 1377 CB LYS A 85 4.548 -21.839 -9.634 1.00 32.01 C ATOM 1378 CG LYS A 85 5.277 -22.946 -8.876 1.00 25.33 C ATOM 1379 CD LYS A 85 4.728 -24.332 -9.213 1.00 25.42 C ATOM 1380 CE LYS A 85 4.966 -24.699 -10.676 1.00 65.42 C ATOM 1381 NZ LYS A 85 4.439 -26.050 -11.003 1.00 64.34 N ATOM 0 H LYS A 85 3.685 -19.834 -10.816 1.00 62.43 H new ATOM 0 HA LYS A 85 5.075 -20.145 -8.400 1.00 42.52 H new ATOM 0 HB2 LYS A 85 3.508 -21.816 -9.309 1.00 32.01 H new ATOM 0 HB3 LYS A 85 4.545 -22.082 -10.696 1.00 32.01 H new ATOM 0 HG2 LYS A 85 6.340 -22.910 -9.116 1.00 25.33 H new ATOM 0 HG3 LYS A 85 5.186 -22.771 -7.804 1.00 25.33 H new ATOM 0 HD2 LYS A 85 5.200 -25.075 -8.571 1.00 25.42 H new ATOM 0 HD3 LYS A 85 3.659 -24.360 -9.001 1.00 25.42 H new ATOM 0 HE2 LYS A 85 4.489 -23.958 -11.318 1.00 65.42 H new ATOM 0 HE3 LYS A 85 6.034 -24.665 -10.889 1.00 65.42 H new ATOM 0 HZ1 LYS A 85 4.621 -26.260 -12.005 1.00 64.34 H new ATOM 0 HZ2 LYS A 85 4.912 -26.760 -10.409 1.00 64.34 H new ATOM 0 HZ3 LYS A 85 3.415 -26.076 -10.824 1.00 64.34 H new ATOM 1395 N GLU A 86 6.896 -20.694 -11.121 1.00 61.30 N ATOM 1396 CA GLU A 86 8.258 -20.852 -11.632 1.00 4.13 C ATOM 1397 C GLU A 86 9.142 -19.653 -11.252 1.00 73.10 C ATOM 1398 O GLU A 86 10.314 -19.816 -10.909 1.00 72.14 O ATOM 1399 CB GLU A 86 8.230 -21.019 -13.161 1.00 24.41 C ATOM 1400 CG GLU A 86 9.446 -21.748 -13.730 1.00 41.35 C ATOM 1401 CD GLU A 86 9.361 -23.268 -13.604 1.00 54.44 C ATOM 1402 OE1 GLU A 86 8.601 -23.775 -12.751 1.00 44.20 O ATOM 1403 OE2 GLU A 86 10.064 -23.965 -14.366 1.00 32.11 O ATOM 0 H GLU A 86 6.173 -20.761 -11.837 1.00 61.30 H new ATOM 0 HA GLU A 86 8.686 -21.745 -11.177 1.00 4.13 H new ATOM 0 HB2 GLU A 86 7.329 -21.565 -13.440 1.00 24.41 H new ATOM 0 HB3 GLU A 86 8.161 -20.034 -13.622 1.00 24.41 H new ATOM 0 HG2 GLU A 86 9.558 -21.485 -14.782 1.00 41.35 H new ATOM 0 HG3 GLU A 86 10.342 -21.399 -13.217 1.00 41.35 H new ATOM 1410 N PHE A 87 8.568 -18.449 -11.318 1.00 74.03 N ATOM 1411 CA PHE A 87 9.285 -17.233 -10.910 1.00 65.33 C ATOM 1412 C PHE A 87 9.523 -17.184 -9.387 1.00 33.20 C ATOM 1413 O PHE A 87 10.664 -17.143 -8.925 1.00 4.21 O ATOM 1414 CB PHE A 87 8.518 -15.974 -11.349 1.00 31.44 C ATOM 1415 CG PHE A 87 8.450 -15.780 -12.845 1.00 63.52 C ATOM 1416 CD1 PHE A 87 9.602 -15.530 -13.578 1.00 43.42 C ATOM 1417 CD2 PHE A 87 7.235 -15.837 -13.516 1.00 1.13 C ATOM 1418 CE1 PHE A 87 9.543 -15.342 -14.946 1.00 63.44 C ATOM 1419 CE2 PHE A 87 7.173 -15.651 -14.883 1.00 61.21 C ATOM 1420 CZ PHE A 87 8.328 -15.404 -15.599 1.00 31.05 C ATOM 0 H PHE A 87 7.616 -18.288 -11.647 1.00 74.03 H new ATOM 0 HA PHE A 87 10.256 -17.260 -11.405 1.00 65.33 H new ATOM 0 HB2 PHE A 87 7.503 -16.024 -10.954 1.00 31.44 H new ATOM 0 HB3 PHE A 87 8.991 -15.100 -10.902 1.00 31.44 H new ATOM 0 HD1 PHE A 87 10.556 -15.482 -13.073 1.00 43.42 H new ATOM 0 HD2 PHE A 87 6.328 -16.029 -12.962 1.00 1.13 H new ATOM 0 HE1 PHE A 87 10.447 -15.147 -15.504 1.00 63.44 H new ATOM 0 HE2 PHE A 87 6.222 -15.699 -15.392 1.00 61.21 H new ATOM 0 HZ PHE A 87 8.281 -15.260 -16.668 1.00 31.05 H new ATOM 1430 N CYS A 88 8.442 -17.193 -8.605 1.00 43.21 N ATOM 1431 CA CYS A 88 8.541 -16.968 -7.151 1.00 73.32 C ATOM 1432 C CYS A 88 8.403 -18.250 -6.315 1.00 33.55 C ATOM 1433 O CYS A 88 9.198 -18.490 -5.408 1.00 45.44 O ATOM 1434 CB CYS A 88 7.481 -15.970 -6.694 1.00 63.34 C ATOM 1435 SG CYS A 88 7.480 -15.679 -4.908 1.00 62.53 S ATOM 0 H CYS A 88 7.493 -17.352 -8.944 1.00 43.21 H new ATOM 0 HA CYS A 88 9.544 -16.576 -6.983 1.00 73.32 H new ATOM 0 HB2 CYS A 88 7.641 -15.022 -7.208 1.00 63.34 H new ATOM 0 HB3 CYS A 88 6.498 -16.333 -6.995 1.00 63.34 H new ATOM 0 HG CYS A 88 6.610 -14.757 -4.619 1.00 62.53 H new ATOM 1441 N TYR A 89 7.391 -19.067 -6.607 1.00 61.40 N ATOM 1442 CA TYR A 89 7.102 -20.259 -5.788 1.00 10.31 C ATOM 1443 C TYR A 89 8.059 -21.421 -6.134 1.00 53.04 C ATOM 1444 O TYR A 89 7.894 -22.550 -5.665 1.00 51.41 O ATOM 1445 CB TYR A 89 5.631 -20.676 -5.971 1.00 0.41 C ATOM 1446 CG TYR A 89 5.137 -21.679 -4.942 1.00 2.22 C ATOM 1447 CD1 TYR A 89 4.834 -21.278 -3.645 1.00 31.24 C ATOM 1448 CD2 TYR A 89 4.981 -23.024 -5.264 1.00 62.53 C ATOM 1449 CE1 TYR A 89 4.390 -22.186 -2.703 1.00 2.35 C ATOM 1450 CE2 TYR A 89 4.539 -23.935 -4.327 1.00 44.21 C ATOM 1451 CZ TYR A 89 4.246 -23.513 -3.049 1.00 53.01 C ATOM 1452 OH TYR A 89 3.810 -24.423 -2.111 1.00 15.31 O ATOM 0 H TYR A 89 6.759 -18.933 -7.396 1.00 61.40 H new ATOM 0 HA TYR A 89 7.265 -20.008 -4.740 1.00 10.31 H new ATOM 0 HB2 TYR A 89 5.004 -19.786 -5.925 1.00 0.41 H new ATOM 0 HB3 TYR A 89 5.507 -21.102 -6.967 1.00 0.41 H new ATOM 0 HD1 TYR A 89 4.948 -20.240 -3.370 1.00 31.24 H new ATOM 0 HD2 TYR A 89 5.210 -23.360 -6.264 1.00 62.53 H new ATOM 0 HE1 TYR A 89 4.157 -21.858 -1.701 1.00 2.35 H new ATOM 0 HE2 TYR A 89 4.423 -24.975 -4.594 1.00 44.21 H new ATOM 0 HH TYR A 89 3.762 -25.314 -2.517 1.00 15.31 H new ATOM 1462 N LYS A 90 9.056 -21.114 -6.961 1.00 1.42 N ATOM 1463 CA LYS A 90 10.133 -22.041 -7.328 1.00 0.50 C ATOM 1464 C LYS A 90 10.639 -22.872 -6.130 1.00 54.30 C ATOM 1465 O LYS A 90 11.201 -22.340 -5.174 1.00 32.12 O ATOM 1466 CB LYS A 90 11.278 -21.224 -7.955 1.00 72.13 C ATOM 1467 CG LYS A 90 12.649 -21.890 -7.923 1.00 41.31 C ATOM 1468 CD LYS A 90 13.694 -21.035 -8.637 1.00 0.52 C ATOM 1469 CE LYS A 90 15.113 -21.399 -8.234 1.00 40.43 C ATOM 1470 NZ LYS A 90 15.375 -21.084 -6.804 1.00 32.11 N ATOM 0 H LYS A 90 9.143 -20.199 -7.404 1.00 1.42 H new ATOM 0 HA LYS A 90 9.742 -22.763 -8.045 1.00 0.50 H new ATOM 0 HB2 LYS A 90 11.022 -21.008 -8.992 1.00 72.13 H new ATOM 0 HB3 LYS A 90 11.345 -20.267 -7.437 1.00 72.13 H new ATOM 0 HG2 LYS A 90 12.953 -22.053 -6.889 1.00 41.31 H new ATOM 0 HG3 LYS A 90 12.592 -22.870 -8.397 1.00 41.31 H new ATOM 0 HD2 LYS A 90 13.583 -21.155 -9.715 1.00 0.52 H new ATOM 0 HD3 LYS A 90 13.514 -19.984 -8.413 1.00 0.52 H new ATOM 0 HE2 LYS A 90 15.280 -22.462 -8.409 1.00 40.43 H new ATOM 0 HE3 LYS A 90 15.820 -20.857 -8.862 1.00 40.43 H new ATOM 0 HZ1 LYS A 90 16.399 -20.985 -6.652 1.00 32.11 H new ATOM 0 HZ2 LYS A 90 14.900 -20.194 -6.552 1.00 32.11 H new ATOM 0 HZ3 LYS A 90 15.010 -21.853 -6.207 1.00 32.11 H new ATOM 1484 N THR A 91 10.425 -24.187 -6.202 1.00 61.30 N ATOM 1485 CA THR A 91 10.871 -25.120 -5.155 1.00 62.24 C ATOM 1486 C THR A 91 12.382 -25.377 -5.225 1.00 13.32 C ATOM 1487 O THR A 91 13.002 -25.792 -4.244 1.00 3.23 O ATOM 1488 CB THR A 91 10.138 -26.476 -5.273 1.00 33.21 C ATOM 1489 OG1 THR A 91 10.369 -27.042 -6.573 1.00 61.44 O ATOM 1490 CG2 THR A 91 8.636 -26.314 -5.050 1.00 2.03 C ATOM 0 H THR A 91 9.942 -24.637 -6.980 1.00 61.30 H new ATOM 0 HA THR A 91 10.633 -24.650 -4.201 1.00 62.24 H new ATOM 0 HB THR A 91 10.531 -27.140 -4.503 1.00 33.21 H new ATOM 0 HG1 THR A 91 9.904 -27.902 -6.643 1.00 61.44 H new ATOM 0 HG21 THR A 91 8.148 -27.285 -5.139 1.00 2.03 H new ATOM 0 HG22 THR A 91 8.458 -25.909 -4.054 1.00 2.03 H new ATOM 0 HG23 THR A 91 8.229 -25.633 -5.797 1.00 2.03 H new ATOM 1498 N SER A 92 12.965 -25.150 -6.399 1.00 60.30 N ATOM 1499 CA SER A 92 14.416 -25.302 -6.598 1.00 73.22 C ATOM 1500 C SER A 92 15.207 -24.262 -5.791 1.00 64.55 C ATOM 1501 O SER A 92 14.703 -23.176 -5.491 1.00 24.34 O ATOM 1502 CB SER A 92 14.756 -25.173 -8.089 1.00 14.14 C ATOM 1503 OG SER A 92 16.152 -25.234 -8.312 1.00 65.13 O ATOM 0 H SER A 92 12.458 -24.859 -7.235 1.00 60.30 H new ATOM 0 HA SER A 92 14.701 -26.292 -6.242 1.00 73.22 H new ATOM 0 HB2 SER A 92 14.263 -25.970 -8.646 1.00 14.14 H new ATOM 0 HB3 SER A 92 14.367 -24.229 -8.471 1.00 14.14 H new ATOM 0 HG SER A 92 16.395 -24.617 -9.034 1.00 65.13 H new ATOM 1509 N ALA A 93 16.449 -24.589 -5.450 1.00 63.24 N ATOM 1510 CA ALA A 93 17.289 -23.707 -4.628 1.00 71.20 C ATOM 1511 C ALA A 93 17.950 -22.583 -5.451 1.00 22.00 C ATOM 1512 O ALA A 93 17.749 -22.470 -6.664 1.00 52.14 O ATOM 1513 CB ALA A 93 18.353 -24.526 -3.903 1.00 63.25 C ATOM 0 H ALA A 93 16.903 -25.459 -5.728 1.00 63.24 H new ATOM 0 HA ALA A 93 16.636 -23.226 -3.900 1.00 71.20 H new ATOM 0 HB1 ALA A 93 18.971 -23.864 -3.296 1.00 63.25 H new ATOM 0 HB2 ALA A 93 17.870 -25.262 -3.260 1.00 63.25 H new ATOM 0 HB3 ALA A 93 18.979 -25.038 -4.634 1.00 63.25 H new ATOM 1519 N HIS A 94 18.708 -21.728 -4.767 1.00 75.11 N ATOM 1520 CA HIS A 94 19.448 -20.634 -5.415 1.00 62.52 C ATOM 1521 C HIS A 94 20.435 -21.141 -6.485 1.00 12.24 C ATOM 1522 O HIS A 94 21.256 -22.018 -6.224 1.00 60.10 O ATOM 1523 CB HIS A 94 20.196 -19.803 -4.358 1.00 25.42 C ATOM 1524 CG HIS A 94 20.885 -20.629 -3.309 1.00 2.22 C ATOM 1525 ND1 HIS A 94 20.509 -20.618 -1.984 1.00 3.25 N ATOM 1526 CD2 HIS A 94 21.920 -21.502 -3.392 1.00 25.05 C ATOM 1527 CE1 HIS A 94 21.274 -21.446 -1.302 1.00 34.23 C ATOM 1528 NE2 HIS A 94 22.137 -21.996 -2.130 1.00 45.42 N ATOM 0 H HIS A 94 18.830 -21.769 -3.755 1.00 75.11 H new ATOM 0 HA HIS A 94 18.715 -20.008 -5.924 1.00 62.52 H new ATOM 0 HB2 HIS A 94 20.936 -19.178 -4.858 1.00 25.42 H new ATOM 0 HB3 HIS A 94 19.489 -19.132 -3.871 1.00 25.42 H new ATOM 0 HD2 HIS A 94 22.471 -21.760 -4.285 1.00 25.05 H new ATOM 0 HE1 HIS A 94 21.205 -21.641 -0.242 1.00 34.23 H new ATOM 0 HE2 HIS A 94 22.851 -22.678 -1.875 1.00 45.42 H new ATOM 1537 N GLY A 95 20.337 -20.580 -7.692 1.00 42.02 N ATOM 1538 CA GLY A 95 21.280 -20.909 -8.763 1.00 62.04 C ATOM 1539 C GLY A 95 21.056 -22.280 -9.403 1.00 53.13 C ATOM 1540 O GLY A 95 21.895 -22.752 -10.173 1.00 21.42 O ATOM 0 H GLY A 95 19.621 -19.902 -7.951 1.00 42.02 H new ATOM 0 HA2 GLY A 95 21.213 -20.145 -9.537 1.00 62.04 H new ATOM 0 HA3 GLY A 95 22.293 -20.869 -8.363 1.00 62.04 H new ATOM 1544 N ILE A 96 19.932 -22.920 -9.089 1.00 62.42 N ATOM 1545 CA ILE A 96 19.590 -24.226 -9.669 1.00 12.34 C ATOM 1546 C ILE A 96 18.410 -24.093 -10.654 1.00 23.31 C ATOM 1547 O ILE A 96 17.350 -23.572 -10.298 1.00 60.21 O ATOM 1548 CB ILE A 96 19.245 -25.260 -8.561 1.00 63.10 C ATOM 1549 CG1 ILE A 96 20.425 -25.400 -7.583 1.00 34.13 C ATOM 1550 CG2 ILE A 96 18.888 -26.616 -9.173 1.00 54.23 C ATOM 1551 CD1 ILE A 96 20.203 -26.422 -6.487 1.00 51.52 C ATOM 0 H ILE A 96 19.238 -22.558 -8.435 1.00 62.42 H new ATOM 0 HA ILE A 96 20.464 -24.585 -10.213 1.00 12.34 H new ATOM 0 HB ILE A 96 18.375 -24.901 -8.011 1.00 63.10 H new ATOM 0 HG12 ILE A 96 21.318 -25.674 -8.145 1.00 34.13 H new ATOM 0 HG13 ILE A 96 20.621 -24.430 -7.126 1.00 34.13 H new ATOM 0 HG21 ILE A 96 18.650 -27.323 -8.378 1.00 54.23 H new ATOM 0 HG22 ILE A 96 18.024 -26.503 -9.828 1.00 54.23 H new ATOM 0 HG23 ILE A 96 19.735 -26.989 -9.749 1.00 54.23 H new ATOM 0 HD11 ILE A 96 21.080 -26.459 -5.841 1.00 51.52 H new ATOM 0 HD12 ILE A 96 19.331 -26.140 -5.898 1.00 51.52 H new ATOM 0 HD13 ILE A 96 20.038 -27.403 -6.932 1.00 51.52 H new ATOM 1563 N PRO A 97 18.581 -24.571 -11.908 1.00 64.30 N ATOM 1564 CA PRO A 97 17.590 -24.377 -12.991 1.00 21.44 C ATOM 1565 C PRO A 97 16.206 -24.992 -12.709 1.00 42.03 C ATOM 1566 O PRO A 97 16.080 -26.015 -12.031 1.00 11.44 O ATOM 1567 CB PRO A 97 18.246 -25.071 -14.202 1.00 62.54 C ATOM 1568 CG PRO A 97 19.237 -26.015 -13.615 1.00 55.21 C ATOM 1569 CD PRO A 97 19.752 -25.339 -12.376 1.00 1.55 C ATOM 0 HA PRO A 97 17.378 -23.317 -13.131 1.00 21.44 H new ATOM 0 HB2 PRO A 97 17.506 -25.599 -14.803 1.00 62.54 H new ATOM 0 HB3 PRO A 97 18.731 -24.347 -14.857 1.00 62.54 H new ATOM 0 HG2 PRO A 97 18.773 -26.972 -13.376 1.00 55.21 H new ATOM 0 HG3 PRO A 97 20.047 -26.220 -14.316 1.00 55.21 H new ATOM 0 HD2 PRO A 97 20.086 -26.061 -11.631 1.00 1.55 H new ATOM 0 HD3 PRO A 97 20.600 -24.690 -12.593 1.00 1.55 H new ATOM 1577 N MET A 98 15.165 -24.344 -13.240 1.00 74.45 N ATOM 1578 CA MET A 98 13.801 -24.888 -13.202 1.00 64.24 C ATOM 1579 C MET A 98 13.458 -25.572 -14.542 1.00 61.51 C ATOM 1580 O MET A 98 13.968 -26.656 -14.831 1.00 11.24 O ATOM 1581 CB MET A 98 12.795 -23.778 -12.868 1.00 12.51 C ATOM 1582 CG MET A 98 12.925 -23.233 -11.454 1.00 54.53 C ATOM 1583 SD MET A 98 12.590 -24.481 -10.194 1.00 24.12 S ATOM 1584 CE MET A 98 10.875 -24.876 -10.545 1.00 11.02 C ATOM 0 H MET A 98 15.240 -23.438 -13.703 1.00 74.45 H new ATOM 0 HA MET A 98 13.742 -25.642 -12.417 1.00 64.24 H new ATOM 0 HB2 MET A 98 12.924 -22.959 -13.576 1.00 12.51 H new ATOM 0 HB3 MET A 98 11.785 -24.163 -13.007 1.00 12.51 H new ATOM 0 HG2 MET A 98 13.932 -22.840 -11.312 1.00 54.53 H new ATOM 0 HG3 MET A 98 12.236 -22.399 -11.326 1.00 54.53 H new ATOM 0 HE1 MET A 98 10.428 -25.359 -9.676 1.00 11.02 H new ATOM 0 HE2 MET A 98 10.330 -23.960 -10.772 1.00 11.02 H new ATOM 0 HE3 MET A 98 10.825 -25.550 -11.400 1.00 11.02 H new ATOM 1594 N ILE A 99 12.600 -24.956 -15.361 1.00 2.03 N ATOM 1595 CA ILE A 99 12.381 -25.434 -16.731 1.00 75.44 C ATOM 1596 C ILE A 99 13.493 -24.884 -17.649 1.00 24.52 C ATOM 1597 O ILE A 99 13.974 -25.567 -18.556 1.00 41.03 O ATOM 1598 CB ILE A 99 10.962 -25.035 -17.249 1.00 14.34 C ATOM 1599 CG1 ILE A 99 10.458 -25.997 -18.351 1.00 61.05 C ATOM 1600 CG2 ILE A 99 10.934 -23.589 -17.745 1.00 4.22 C ATOM 1601 CD1 ILE A 99 11.155 -25.864 -19.692 1.00 42.35 C ATOM 0 H ILE A 99 12.051 -24.135 -15.104 1.00 2.03 H new ATOM 0 HA ILE A 99 12.426 -26.523 -16.739 1.00 75.44 H new ATOM 0 HB ILE A 99 10.283 -25.118 -16.400 1.00 14.34 H new ATOM 0 HG12 ILE A 99 10.576 -27.022 -17.998 1.00 61.05 H new ATOM 0 HG13 ILE A 99 9.391 -25.830 -18.496 1.00 61.05 H new ATOM 0 HG21 ILE A 99 9.932 -23.345 -18.098 1.00 4.22 H new ATOM 0 HG22 ILE A 99 11.204 -22.919 -16.929 1.00 4.22 H new ATOM 0 HG23 ILE A 99 11.646 -23.471 -18.562 1.00 4.22 H new ATOM 0 HD11 ILE A 99 10.730 -26.580 -20.395 1.00 42.35 H new ATOM 0 HD12 ILE A 99 11.016 -24.853 -20.075 1.00 42.35 H new ATOM 0 HD13 ILE A 99 12.220 -26.063 -19.570 1.00 42.35 H new ATOM 1613 N GLY A 100 13.910 -23.644 -17.385 1.00 54.32 N ATOM 1614 CA GLY A 100 15.050 -23.054 -18.084 1.00 15.25 C ATOM 1615 C GLY A 100 16.339 -23.155 -17.271 1.00 21.33 C ATOM 1616 O GLY A 100 16.309 -23.537 -16.098 1.00 53.52 O ATOM 0 H GLY A 100 13.476 -23.032 -16.694 1.00 54.32 H new ATOM 0 HA2 GLY A 100 15.186 -23.556 -19.042 1.00 15.25 H new ATOM 0 HA3 GLY A 100 14.839 -22.007 -18.300 1.00 15.25 H new ATOM 1620 N GLU A 101 17.474 -22.820 -17.884 1.00 32.43 N ATOM 1621 CA GLU A 101 18.777 -22.914 -17.205 1.00 62.31 C ATOM 1622 C GLU A 101 19.029 -21.743 -16.239 1.00 52.42 C ATOM 1623 O GLU A 101 18.695 -20.593 -16.524 1.00 54.32 O ATOM 1624 CB GLU A 101 19.919 -22.977 -18.229 1.00 23.11 C ATOM 1625 CG GLU A 101 19.990 -24.289 -19.002 1.00 52.21 C ATOM 1626 CD GLU A 101 21.136 -24.318 -20.002 1.00 54.30 C ATOM 1627 OE1 GLU A 101 22.307 -24.262 -19.573 1.00 54.41 O ATOM 1628 OE2 GLU A 101 20.872 -24.406 -21.223 1.00 44.51 O ATOM 0 H GLU A 101 17.523 -22.482 -18.845 1.00 32.43 H new ATOM 0 HA GLU A 101 18.750 -23.832 -16.619 1.00 62.31 H new ATOM 0 HB2 GLU A 101 19.803 -22.156 -18.937 1.00 23.11 H new ATOM 0 HB3 GLU A 101 20.866 -22.821 -17.712 1.00 23.11 H new ATOM 0 HG2 GLU A 101 20.105 -25.114 -18.299 1.00 52.21 H new ATOM 0 HG3 GLU A 101 19.049 -24.447 -19.529 1.00 52.21 H new ATOM 1635 N ALA A 102 19.637 -22.054 -15.095 1.00 32.33 N ATOM 1636 CA ALA A 102 20.056 -21.036 -14.126 1.00 70.12 C ATOM 1637 C ALA A 102 21.586 -21.028 -13.981 1.00 10.24 C ATOM 1638 O ALA A 102 22.144 -21.773 -13.169 1.00 40.23 O ATOM 1639 CB ALA A 102 19.390 -21.278 -12.774 1.00 52.00 C ATOM 0 H ALA A 102 19.853 -23.010 -14.813 1.00 32.33 H new ATOM 0 HA ALA A 102 19.741 -20.060 -14.494 1.00 70.12 H new ATOM 0 HB1 ALA A 102 19.712 -20.513 -12.067 1.00 52.00 H new ATOM 0 HB2 ALA A 102 18.307 -21.233 -12.889 1.00 52.00 H new ATOM 0 HB3 ALA A 102 19.674 -22.261 -12.399 1.00 52.00 H new ATOM 1645 N PRO A 103 22.289 -20.201 -14.786 1.00 3.11 N ATOM 1646 CA PRO A 103 23.765 -20.146 -14.784 1.00 4.22 C ATOM 1647 C PRO A 103 24.348 -19.518 -13.504 1.00 61.31 C ATOM 1648 O PRO A 103 23.665 -19.396 -12.485 1.00 12.01 O ATOM 1649 CB PRO A 103 24.082 -19.281 -16.013 1.00 72.22 C ATOM 1650 CG PRO A 103 22.881 -18.413 -16.182 1.00 61.35 C ATOM 1651 CD PRO A 103 21.704 -19.253 -15.761 1.00 41.32 C ATOM 0 HA PRO A 103 24.207 -21.142 -14.815 1.00 4.22 H new ATOM 0 HB2 PRO A 103 24.982 -18.686 -15.858 1.00 72.22 H new ATOM 0 HB3 PRO A 103 24.254 -19.896 -16.897 1.00 72.22 H new ATOM 0 HG2 PRO A 103 22.959 -17.515 -15.570 1.00 61.35 H new ATOM 0 HG3 PRO A 103 22.778 -18.086 -17.217 1.00 61.35 H new ATOM 0 HD2 PRO A 103 20.919 -18.647 -15.310 1.00 41.32 H new ATOM 0 HD3 PRO A 103 21.258 -19.773 -16.609 1.00 41.32 H new ATOM 1659 N LEU A 104 25.622 -19.132 -13.559 1.00 53.52 N ATOM 1660 CA LEU A 104 26.301 -18.540 -12.403 1.00 20.11 C ATOM 1661 C LEU A 104 27.059 -17.266 -12.795 1.00 71.21 C ATOM 1662 O LEU A 104 27.552 -17.142 -13.918 1.00 32.20 O ATOM 1663 CB LEU A 104 27.268 -19.550 -11.754 1.00 41.51 C ATOM 1664 CG LEU A 104 28.498 -19.961 -12.593 1.00 43.00 C ATOM 1665 CD1 LEU A 104 29.489 -20.750 -11.737 1.00 0.34 C ATOM 1666 CD2 LEU A 104 28.088 -20.781 -13.819 1.00 42.41 C ATOM 0 H LEU A 104 26.206 -19.218 -14.391 1.00 53.52 H new ATOM 0 HA LEU A 104 25.534 -18.274 -11.676 1.00 20.11 H new ATOM 0 HB2 LEU A 104 27.622 -19.128 -10.813 1.00 41.51 H new ATOM 0 HB3 LEU A 104 26.706 -20.451 -11.508 1.00 41.51 H new ATOM 0 HG LEU A 104 28.981 -19.049 -12.944 1.00 43.00 H new ATOM 0 HD11 LEU A 104 30.350 -21.032 -12.343 1.00 0.34 H new ATOM 0 HD12 LEU A 104 29.820 -20.133 -10.902 1.00 0.34 H new ATOM 0 HD13 LEU A 104 29.005 -21.649 -11.355 1.00 0.34 H new ATOM 0 HD21 LEU A 104 28.977 -21.054 -14.388 1.00 42.41 H new ATOM 0 HD22 LEU A 104 27.572 -21.685 -13.496 1.00 42.41 H new ATOM 0 HD23 LEU A 104 27.423 -20.188 -14.447 1.00 42.41 H new ATOM 1678 N GLU A 105 27.140 -16.322 -11.864 1.00 44.22 N ATOM 1679 CA GLU A 105 27.853 -15.061 -12.087 1.00 74.41 C ATOM 1680 C GLU A 105 29.348 -15.192 -11.740 1.00 2.10 C ATOM 1681 O GLU A 105 29.715 -15.829 -10.751 1.00 2.21 O ATOM 1682 CB GLU A 105 27.214 -13.943 -11.246 1.00 24.32 C ATOM 1683 CG GLU A 105 27.145 -14.259 -9.751 1.00 72.43 C ATOM 1684 CD GLU A 105 26.636 -13.094 -8.915 1.00 25.02 C ATOM 1685 OE1 GLU A 105 27.372 -12.098 -8.778 1.00 12.11 O ATOM 1686 OE2 GLU A 105 25.517 -13.178 -8.367 1.00 50.21 O ATOM 0 H GLU A 105 26.718 -16.404 -10.939 1.00 44.22 H new ATOM 0 HA GLU A 105 27.774 -14.811 -13.145 1.00 74.41 H new ATOM 0 HB2 GLU A 105 27.783 -13.024 -11.388 1.00 24.32 H new ATOM 0 HB3 GLU A 105 26.206 -13.754 -11.615 1.00 24.32 H new ATOM 0 HG2 GLU A 105 26.494 -15.120 -9.598 1.00 72.43 H new ATOM 0 HG3 GLU A 105 28.137 -14.543 -9.400 1.00 72.43 H new ATOM 1693 N HIS A 106 30.213 -14.594 -12.560 1.00 52.24 N ATOM 1694 CA HIS A 106 31.660 -14.612 -12.297 1.00 32.20 C ATOM 1695 C HIS A 106 32.191 -13.191 -12.026 1.00 43.43 C ATOM 1696 O HIS A 106 33.361 -13.001 -11.686 1.00 12.52 O ATOM 1697 CB HIS A 106 32.409 -15.251 -13.477 1.00 51.01 C ATOM 1698 CG HIS A 106 33.812 -15.673 -13.141 1.00 65.24 C ATOM 1699 ND1 HIS A 106 34.922 -14.909 -13.431 1.00 21.32 N ATOM 1700 CD2 HIS A 106 34.283 -16.789 -12.528 1.00 0.35 C ATOM 1701 CE1 HIS A 106 36.006 -15.529 -13.014 1.00 53.41 C ATOM 1702 NE2 HIS A 106 35.648 -16.670 -12.464 1.00 64.13 N ATOM 0 H HIS A 106 29.944 -14.094 -13.407 1.00 52.24 H new ATOM 0 HA HIS A 106 31.836 -15.212 -11.404 1.00 32.20 H new ATOM 0 HB2 HIS A 106 31.850 -16.120 -13.823 1.00 51.01 H new ATOM 0 HB3 HIS A 106 32.440 -14.542 -14.304 1.00 51.01 H new ATOM 0 HD2 HIS A 106 33.693 -17.616 -12.160 1.00 0.35 H new ATOM 0 HE1 HIS A 106 37.018 -15.163 -13.107 1.00 53.41 H new ATOM 0 HE2 HIS A 106 36.283 -17.356 -12.056 1.00 64.13 H new ATOM 1711 N HIS A 107 31.318 -12.200 -12.186 1.00 2.41 N ATOM 1712 CA HIS A 107 31.648 -10.801 -11.905 1.00 4.22 C ATOM 1713 C HIS A 107 31.197 -10.423 -10.487 1.00 63.32 C ATOM 1714 O HIS A 107 30.019 -10.147 -10.259 1.00 14.52 O ATOM 1715 CB HIS A 107 30.962 -9.898 -12.942 1.00 2.23 C ATOM 1716 CG HIS A 107 31.285 -8.440 -12.812 1.00 0.51 C ATOM 1717 ND1 HIS A 107 32.319 -7.842 -13.496 1.00 63.35 N ATOM 1718 CD2 HIS A 107 30.690 -7.451 -12.099 1.00 42.41 C ATOM 1719 CE1 HIS A 107 32.348 -6.556 -13.214 1.00 2.34 C ATOM 1720 NE2 HIS A 107 31.372 -6.291 -12.370 1.00 33.11 N ATOM 0 H HIS A 107 30.362 -12.341 -12.514 1.00 2.41 H new ATOM 0 HA HIS A 107 32.728 -10.665 -11.969 1.00 4.22 H new ATOM 0 HB2 HIS A 107 31.247 -10.232 -13.940 1.00 2.23 H new ATOM 0 HB3 HIS A 107 29.883 -10.026 -12.859 1.00 2.23 H new ATOM 0 HD2 HIS A 107 29.840 -7.557 -11.442 1.00 42.41 H new ATOM 0 HE1 HIS A 107 33.053 -5.839 -13.608 1.00 2.34 H new ATOM 0 HE2 HIS A 107 31.158 -5.373 -11.981 1.00 33.11 H new ATOM 1729 N HIS A 108 32.129 -10.422 -9.534 1.00 42.31 N ATOM 1730 CA HIS A 108 31.789 -10.137 -8.134 1.00 52.12 C ATOM 1731 C HIS A 108 31.205 -8.724 -7.974 1.00 72.54 C ATOM 1732 O HIS A 108 31.706 -7.763 -8.558 1.00 1.11 O ATOM 1733 CB HIS A 108 33.013 -10.321 -7.217 1.00 0.33 C ATOM 1734 CG HIS A 108 34.173 -9.417 -7.523 1.00 14.13 C ATOM 1735 ND1 HIS A 108 35.299 -9.834 -8.199 1.00 41.32 N ATOM 1736 CD2 HIS A 108 34.389 -8.113 -7.216 1.00 1.13 C ATOM 1737 CE1 HIS A 108 36.152 -8.835 -8.292 1.00 51.01 C ATOM 1738 NE2 HIS A 108 35.626 -7.779 -7.706 1.00 54.22 N ATOM 0 H HIS A 108 33.117 -10.613 -9.700 1.00 42.31 H new ATOM 0 HA HIS A 108 31.025 -10.854 -7.834 1.00 52.12 H new ATOM 0 HB2 HIS A 108 32.704 -10.155 -6.185 1.00 0.33 H new ATOM 0 HB3 HIS A 108 33.349 -11.356 -7.287 1.00 0.33 H new ATOM 0 HD2 HIS A 108 33.713 -7.460 -6.685 1.00 1.13 H new ATOM 0 HE1 HIS A 108 37.120 -8.875 -8.769 1.00 51.01 H new ATOM 0 HE2 HIS A 108 36.067 -6.862 -7.629 1.00 54.22 H new ATOM 1747 N HIS A 109 30.142 -8.605 -7.180 1.00 30.45 N ATOM 1748 CA HIS A 109 29.496 -7.308 -6.946 1.00 31.11 C ATOM 1749 C HIS A 109 30.476 -6.327 -6.286 1.00 3.13 C ATOM 1750 O HIS A 109 31.101 -6.649 -5.272 1.00 63.01 O ATOM 1751 CB HIS A 109 28.250 -7.481 -6.068 1.00 75.40 C ATOM 1752 CG HIS A 109 27.267 -8.483 -6.600 1.00 63.14 C ATOM 1753 ND1 HIS A 109 26.285 -9.055 -5.825 1.00 51.11 N ATOM 1754 CD2 HIS A 109 27.134 -9.037 -7.830 1.00 44.34 C ATOM 1755 CE1 HIS A 109 25.597 -9.915 -6.548 1.00 32.10 C ATOM 1756 NE2 HIS A 109 26.089 -9.929 -7.770 1.00 73.50 N ATOM 0 H HIS A 109 29.709 -9.386 -6.688 1.00 30.45 H new ATOM 0 HA HIS A 109 29.192 -6.899 -7.910 1.00 31.11 H new ATOM 0 HB2 HIS A 109 28.561 -7.786 -5.069 1.00 75.40 H new ATOM 0 HB3 HIS A 109 27.752 -6.517 -5.966 1.00 75.40 H new ATOM 0 HD2 HIS A 109 27.738 -8.818 -8.698 1.00 44.34 H new ATOM 0 HE1 HIS A 109 24.767 -10.510 -6.197 1.00 32.10 H new ATOM 0 HE2 HIS A 109 25.752 -10.504 -8.542 1.00 73.50 H new ATOM 1765 N HIS A 110 30.609 -5.135 -6.858 1.00 14.32 N ATOM 1766 CA HIS A 110 31.616 -4.168 -6.404 1.00 42.23 C ATOM 1767 C HIS A 110 30.992 -2.844 -5.930 1.00 25.14 C ATOM 1768 O HIS A 110 30.367 -2.123 -6.710 1.00 32.35 O ATOM 1769 CB HIS A 110 32.620 -3.901 -7.535 1.00 42.35 C ATOM 1770 CG HIS A 110 33.645 -2.857 -7.206 1.00 71.20 C ATOM 1771 ND1 HIS A 110 34.751 -3.108 -6.426 1.00 61.13 N ATOM 1772 CD2 HIS A 110 33.723 -1.548 -7.549 1.00 54.12 C ATOM 1773 CE1 HIS A 110 35.460 -2.007 -6.301 1.00 54.12 C ATOM 1774 NE2 HIS A 110 34.861 -1.047 -6.972 1.00 63.41 N ATOM 0 H HIS A 110 30.035 -4.811 -7.636 1.00 14.32 H new ATOM 0 HA HIS A 110 32.126 -4.605 -5.545 1.00 42.23 H new ATOM 0 HB2 HIS A 110 33.131 -4.832 -7.781 1.00 42.35 H new ATOM 0 HB3 HIS A 110 32.074 -3.592 -8.426 1.00 42.35 H new ATOM 0 HD2 HIS A 110 33.021 -1.002 -8.162 1.00 54.12 H new ATOM 0 HE1 HIS A 110 36.379 -1.908 -5.742 1.00 54.12 H new ATOM 0 HE2 HIS A 110 35.190 -0.085 -7.050 1.00 63.41 H new ATOM 1783 N HIS A 111 31.167 -2.540 -4.646 1.00 15.22 N ATOM 1784 CA HIS A 111 30.797 -1.230 -4.093 1.00 50.32 C ATOM 1785 C HIS A 111 31.827 -0.754 -3.042 1.00 1.52 C ATOM 1786 O HIS A 111 32.564 0.216 -3.324 1.00 37.35 O ATOM 1787 CB HIS A 111 29.368 -1.251 -3.510 1.00 32.12 C ATOM 1788 CG HIS A 111 29.082 -2.367 -2.542 1.00 41.30 C ATOM 1789 ND1 HIS A 111 29.622 -2.432 -1.276 1.00 72.21 N ATOM 1790 CD2 HIS A 111 28.279 -3.453 -2.655 1.00 72.23 C ATOM 1791 CE1 HIS A 111 29.165 -3.499 -0.654 1.00 11.22 C ATOM 1792 NE2 HIS A 111 28.348 -4.138 -1.466 1.00 61.41 N ATOM 1793 OXT HIS A 111 31.931 -1.386 -1.965 1.00 37.35 O ATOM 0 H HIS A 111 31.565 -3.184 -3.962 1.00 15.22 H new ATOM 0 HA HIS A 111 30.807 -0.511 -4.912 1.00 50.32 H new ATOM 0 HB2 HIS A 111 29.185 -0.301 -3.008 1.00 32.12 H new ATOM 0 HB3 HIS A 111 28.658 -1.317 -4.335 1.00 32.12 H new ATOM 0 HD1 HIS A 111 30.276 -1.757 -0.881 1.00 72.21 H new ATOM 0 HD2 HIS A 111 27.693 -3.729 -3.520 1.00 72.23 H new ATOM 0 HE1 HIS A 111 29.417 -3.799 0.352 1.00 11.22 H new TER 1802 HIS A 111